data_nef_c30505_6e9m 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 6E9M stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 11 CYS SG 1 70 CYS SG 1 18 CYS SG 1 64 CYS SG 1 19 CYS SG 1 49 CYS SG 1 71 CYS SG 1 84 CYS SG stop_ 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 GLY start . false 2 A 2 SER middle . . 3 A 3 GLY middle . false 4 A 4 TRP middle . . 5 A 5 GLU middle . . 6 A 6 SER middle . . 7 A 7 LYS middle . . 8 A 8 THR middle . . 9 A 9 GLY middle . false 10 A 10 SER middle . . 11 A 11 CYS middle -HG . 12 A 12 ASN middle . . 13 A 13 THR middle . . 14 A 14 GLY middle . false 15 A 15 LYS middle . . 16 A 16 LEU middle . . 17 A 17 ALA middle . . 18 A 18 CYS middle -HG . 19 A 19 CYS middle -HG . 20 A 20 ASP middle . . 21 A 21 THR middle . . 22 A 22 ASN middle . . 23 A 23 LYS middle . . 24 A 24 LYS middle . . 25 A 25 VAL middle . . 26 A 26 GLN middle . . 27 A 27 LYS middle . . 28 A 28 SER middle . . 29 A 29 THR middle . . 30 A 30 GLY middle . false 31 A 31 GLU middle . . 32 A 32 GLU middle . . 33 A 33 SER middle . . 34 A 34 GLY middle . false 35 A 35 LEU middle . . 36 A 36 LEU middle . . 37 A 37 HIS middle . . 38 A 38 THR middle . . 39 A 39 GLY middle . false 40 A 40 ASP middle . . 41 A 41 VAL middle . . 42 A 42 LEU middle . . 43 A 43 ASP middle . . 44 A 44 GLN middle . . 45 A 45 VAL middle . . 46 A 46 ALA middle . . 47 A 47 ILE middle . . 48 A 48 GLN middle . . 49 A 49 CYS middle -HG . 50 A 50 THR middle . . 51 A 51 GLN middle . . 52 A 52 ILE middle . . 53 A 53 PRO middle . false 54 A 54 LEU middle . . 55 A 55 LEU middle . . 56 A 56 ILE middle . . 57 A 57 GLY middle . false 58 A 58 ILE middle . . 59 A 59 ALA middle . . 60 A 60 ILE middle . . 61 A 61 GLU middle . . 62 A 62 ASP middle . . 63 A 63 GLU middle . . 64 A 64 CYS middle -HG . 65 A 65 LYS middle . . 66 A 66 ASN middle . . 67 A 67 THR middle . . 68 A 68 PRO middle . false 69 A 69 THR middle . . 70 A 70 CYS middle -HG . 71 A 71 CYS middle -HG . 72 A 72 GLU middle . . 73 A 73 ASP middle . . 74 A 74 VAL middle . . 75 A 75 GLU middle . . 76 A 76 ASP middle . . 77 A 77 ASP middle . . 78 A 78 GLY middle . false 79 A 79 LEU middle . . 80 A 80 VAL middle . . 81 A 81 GLY middle . false 82 A 82 ILE middle . . 83 A 83 ASN middle . . 84 A 84 CYS middle -HG . 85 A 85 THR middle . . 86 A 86 PRO middle . false 87 A 87 ILE middle . . 88 A 88 PRO middle . false 89 A 89 LEU middle . . 90 A 90 ILE 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 GLY HA3 H 1 3.877 . A 1 GLY CA C 13 43.540 . A 2 SER HA H 1 4.495 0.004 A 2 SER HB2 H 1 3.824 0.003 A 2 SER C C 13 174.367 . A 2 SER CA C 13 58.310 0.021 A 2 SER CB C 13 64.246 0.056 A 3 GLY H H 1 8.409 0.007 A 3 GLY HAx H 1 3.877 0.006 A 3 GLY HAy H 1 4.082 0.003 A 3 GLY C C 13 173.789 0.023 A 3 GLY CA C 13 45.148 0.03 A 3 GLY N N 15 110.345 0.039 A 4 TRP H H 1 8.151 0.003 A 4 TRP HA H 1 4.751 0.002 A 4 TRP HBx H 1 3.069 0.005 A 4 TRP HBy H 1 3.193 0.004 A 4 TRP HD1 H 1 7.280 0.002 A 4 TRP HE1 H 1 10.521 0.003 A 4 TRP HE3 H 1 7.677 0.003 A 4 TRP HH2 H 1 7.118 0.004 A 4 TRP HZ2 H 1 7.421 0.005 A 4 TRP HZ3 H 1 6.913 0.0 A 4 TRP C C 13 176.439 0.03 A 4 TRP CA C 13 57.634 0.023 A 4 TRP CB C 13 31.912 0.04 A 4 TRP CD1 C 13 127.521 . A 4 TRP CE3 C 13 121.177 . A 4 TRP CH2 C 13 123.765 . A 4 TRP CZ2 C 13 114.838 . A 4 TRP CZ3 C 13 121.647 . A 4 TRP N N 15 120.683 0.023 A 4 TRP NE1 N 15 129.626 0.059 A 5 GLU H H 1 8.653 0.007 A 5 GLU HA H 1 4.492 0.004 A 5 GLU HB2 H 1 1.776 0.004 A 5 GLU HG2 H 1 2.167 0.003 A 5 GLU C C 13 175.479 . A 5 GLU CA C 13 55.509 0.105 A 5 GLU CB C 13 31.691 0.067 A 5 GLU CG C 13 36.241 0.028 A 5 GLU N N 15 120.759 0.052 A 7 LYS HA H 1 4.390 0.003 A 7 LYS HB2 H 1 1.825 0.008 A 7 LYS HD2 H 1 1.638 0.006 A 7 LYS HEy H 1 2.910 0.012 A 7 LYS HEx H 1 2.871 0.008 A 7 LYS HG2 H 1 1.403 0.005 A 7 LYS C C 13 177.384 . A 7 LYS CA C 13 57.674 0.041 A 7 LYS CB C 13 32.764 0.053 A 7 LYS CD C 13 29.305 0.04 A 7 LYS CE C 13 41.997 0.019 A 7 LYS CG C 13 24.796 0.02 A 8 THR H H 1 7.949 0.01 A 8 THR HA H 1 4.321 0.011 A 8 THR HB H 1 4.302 0.005 A 8 THR HG2% H 1 1.140 0.003 A 8 THR C C 13 175.378 0.032 A 8 THR CA C 13 61.982 0.07 A 8 THR CB C 13 70.028 0.056 A 8 THR CG2 C 13 21.612 0.026 A 8 THR N N 15 110.232 0.045 A 9 GLY H H 1 8.026 0.013 A 9 GLY HAx H 1 3.929 0.011 A 9 GLY HAy H 1 3.969 0.006 A 9 GLY C C 13 174.277 0.036 A 9 GLY CA C 13 46.098 0.019 A 9 GLY N N 15 110.771 0.062 A 10 SER H H 1 7.795 0.008 A 10 SER HA H 1 4.369 0.004 A 10 SER HB2 H 1 3.744 0.01 A 10 SER C C 13 173.562 0.018 A 10 SER CA C 13 58.907 0.043 A 10 SER CB C 13 64.348 0.022 A 10 SER N N 15 113.681 0.032 A 11 CYS H H 1 8.728 0.011 A 11 CYS HA H 1 4.705 0.008 A 11 CYS HBy H 1 3.192 0.003 A 11 CYS HBx H 1 2.419 0.007 A 11 CYS C C 13 174.375 . A 11 CYS CA C 13 54.076 0.053 A 11 CYS CB C 13 37.533 0.046 A 11 CYS N N 15 120.981 0.059 A 12 ASN HA H 1 4.519 0.004 A 12 ASN HBy H 1 2.867 0.008 A 12 ASN HBx H 1 2.850 0.003 A 12 ASN HD21 H 1 6.925 0.001 A 12 ASN HD22 H 1 7.618 0.001 A 12 ASN C C 13 176.279 0.03 A 12 ASN CA C 13 55.876 0.018 A 12 ASN CB C 13 38.508 0.075 A 12 ASN ND2 N 15 112.893 0.051 A 13 THR H H 1 7.864 0.006 A 13 THR HA H 1 4.493 0.005 A 13 THR HB H 1 4.376 0.004 A 13 THR HG2% H 1 1.175 0.004 A 13 THR C C 13 174.220 0.037 A 13 THR CA C 13 61.236 0.088 A 13 THR CB C 13 69.939 0.013 A 13 THR CG2 C 13 21.585 0.034 A 13 THR N N 15 108.803 0.028 A 14 GLY H H 1 7.467 0.005 A 14 GLY HAx H 1 3.811 0.002 A 14 GLY HAy H 1 4.257 0.003 A 14 GLY C C 13 172.769 0.027 A 14 GLY CA C 13 44.669 0.016 A 14 GLY N N 15 110.449 0.046 A 15 LYS H H 1 8.907 0.005 A 15 LYS HA H 1 4.662 0.004 A 15 LYS HBy H 1 1.691 0.008 A 15 LYS HBx H 1 1.464 0.009 A 15 LYS HDy H 1 1.719 0.005 A 15 LYS HDx H 1 1.606 0.005 A 15 LYS HEx H 1 3.061 0.005 A 15 LYS HEy H 1 3.071 0.003 A 15 LYS HG2 H 1 1.398 0.007 A 15 LYS C C 13 175.413 0.033 A 15 LYS CA C 13 54.483 0.025 A 15 LYS CB C 13 35.024 0.096 A 15 LYS CD C 13 29.724 0.042 A 15 LYS CE C 13 42.611 0.021 A 15 LYS CG C 13 25.188 0.025 A 15 LYS N N 15 119.723 0.032 A 16 LEU H H 1 8.426 0.01 A 16 LEU HA H 1 4.854 0.005 A 16 LEU HBx H 1 1.313 0.005 A 16 LEU HBy H 1 1.705 0.005 A 16 LEU HDx% H 1 0.794 0.009 A 16 LEU HDy% H 1 0.819 0.004 A 16 LEU HG H 1 1.615 0.007 A 16 LEU C C 13 176.585 0.041 A 16 LEU CA C 13 55.069 0.034 A 16 LEU CB C 13 44.064 0.045 A 16 LEU CDx C 13 25.267 0.088 A 16 LEU CDy C 13 25.566 0.028 A 16 LEU CG C 13 27.329 0.111 A 16 LEU N N 15 126.062 0.043 A 17 ALA H H 1 8.850 0.004 A 17 ALA HA H 1 4.522 0.004 A 17 ALA HB% H 1 1.325 0.006 A 17 ALA CA C 13 52.078 0.039 A 17 ALA CB C 13 23.322 0.055 A 17 ALA N N 15 125.034 0.052 A 18 CYS H H 1 9.227 0.006 A 18 CYS HA H 1 4.906 0.006 A 18 CYS HBy H 1 3.443 0.004 A 18 CYS HBx H 1 2.303 0.004 A 18 CYS C C 13 173.921 0.009 A 18 CYS CA C 13 54.002 0.057 A 18 CYS CB C 13 38.801 0.047 A 18 CYS N N 15 124.459 0.014 A 19 CYS H H 1 8.686 0.014 A 19 CYS HA H 1 5.348 0.004 A 19 CYS HBx H 1 2.593 0.006 A 19 CYS HBy H 1 2.778 0.005 A 19 CYS C C 13 172.077 0.038 A 19 CYS CA C 13 56.789 0.032 A 19 CYS CB C 13 50.061 0.021 A 19 CYS N N 15 125.206 0.044 A 20 ASP H H 1 8.520 0.011 A 20 ASP HA H 1 5.066 0.004 A 20 ASP HBx H 1 2.350 0.005 A 20 ASP HBy H 1 2.976 0.007 A 20 ASP C C 13 176.784 0.037 A 20 ASP CA C 13 52.225 0.035 A 20 ASP CB C 13 41.503 0.047 A 20 ASP N N 15 121.282 0.039 A 21 THR H H 1 8.338 0.005 A 21 THR HA H 1 3.937 0.003 A 21 THR HB H 1 4.384 0.004 A 21 THR HG2% H 1 1.046 0.003 A 21 THR C C 13 174.877 0.02 A 21 THR CA C 13 63.563 0.065 A 21 THR CB C 13 68.095 0.03 A 21 THR CG2 C 13 21.408 0.014 A 21 THR N N 15 113.316 0.026 A 22 ASN H H 1 8.529 0.007 A 22 ASN HA H 1 4.795 0.013 A 22 ASN HBx H 1 2.815 0.008 A 22 ASN HBy H 1 2.872 0.009 A 22 ASN HD21 H 1 7.886 0.003 A 22 ASN HD22 H 1 6.972 0.004 A 22 ASN C C 13 175.092 0.015 A 22 ASN CA C 13 53.566 0.053 A 22 ASN CB C 13 39.590 0.04 A 22 ASN N N 15 117.152 0.029 A 22 ASN ND2 N 15 115.543 0.034 A 23 LYS H H 1 7.655 0.007 A 23 LYS HA H 1 4.536 0.004 A 23 LYS HBy H 1 1.899 0.004 A 23 LYS HBx H 1 1.755 0.005 A 23 LYS HD2 H 1 1.639 0.004 A 23 LYS HE2 H 1 2.974 0.004 A 23 LYS HG2 H 1 1.296 0.006 A 23 LYS C C 13 174.120 0.026 A 23 LYS CA C 13 54.866 0.047 A 23 LYS CB C 13 32.663 0.045 A 23 LYS CD C 13 29.215 0.031 A 23 LYS CE C 13 42.276 0.013 A 23 LYS CG C 13 24.867 0.065 A 23 LYS N N 15 123.649 0.033 A 24 LYS H H 1 7.961 0.002 A 24 LYS HA H 1 4.786 0.009 A 24 LYS HBy H 1 1.837 0.005 A 24 LYS HBx H 1 1.748 0.007 A 24 LYS HD2 H 1 1.665 0.007 A 24 LYS HE2 H 1 2.991 0.003 A 24 LYS HGy H 1 1.508 0.003 A 24 LYS HGx H 1 1.401 0.004 A 24 LYS C C 13 177.391 0.02 A 24 LYS CA C 13 56.247 0.04 A 24 LYS CB C 13 33.194 0.035 A 24 LYS CD C 13 29.107 0.04 A 24 LYS CE C 13 42.399 0.035 A 24 LYS CG C 13 25.664 0.031 A 24 LYS N N 15 122.813 0.025 A 25 VAL H H 1 8.345 0.004 A 25 VAL HA H 1 4.167 0.003 A 25 VAL HB H 1 1.797 0.004 A 25 VAL HGx% H 1 0.823 0.008 A 25 VAL HGy% H 1 0.789 0.009 A 25 VAL C C 13 175.093 0.008 A 25 VAL CA C 13 61.451 0.027 A 25 VAL CB C 13 33.593 0.05 A 25 VAL CGy C 13 21.019 0.013 A 25 VAL CGx C 13 20.783 0.064 A 25 VAL N N 15 122.995 0.049 A 26 GLN H H 1 8.509 0.004 A 26 GLN HA H 1 4.455 0.003 A 26 GLN HBx H 1 1.948 0.006 A 26 GLN HBy H 1 2.058 0.006 A 26 GLN HE21 H 1 7.529 0.007 A 26 GLN HE22 H 1 6.849 0.001 A 26 GLN HG2 H 1 2.324 0.004 A 26 GLN C C 13 175.465 . A 26 GLN CA C 13 55.201 0.035 A 26 GLN CB C 13 29.683 0.04 A 26 GLN CG C 13 33.847 0.028 A 26 GLN N N 15 125.121 0.085 A 26 GLN NE2 N 15 112.249 0.083 A 27 LYS H H 1 8.519 0.002 A 27 LYS HA H 1 4.356 0.004 A 27 LYS HBy H 1 1.811 0.008 A 27 LYS HBx H 1 1.713 0.004 A 27 LYS HD2 H 1 1.617 0.003 A 27 LYS HE2 H 1 2.890 0.002 A 27 LYS HG2 H 1 1.388 0.008 A 27 LYS C C 13 176.427 0.021 A 27 LYS CA C 13 56.129 0.048 A 27 LYS CB C 13 33.448 0.024 A 27 LYS CD C 13 29.106 0.077 A 27 LYS CE C 13 41.806 0.032 A 27 LYS CG C 13 24.778 0.081 A 27 LYS N N 15 124.819 0.077 A 28 SER H H 1 8.602 0.008 A 28 SER HA H 1 4.557 0.006 A 28 SER HB2 H 1 3.885 0.015 A 28 SER C C 13 174.872 0.02 A 28 SER CA C 13 58.304 0.023 A 28 SER CB C 13 63.888 0.009 A 28 SER N N 15 117.622 0.052 A 29 THR H H 1 8.316 0.002 A 29 THR HA H 1 4.394 0.003 A 29 THR HB H 1 4.311 0.005 A 29 THR HG2% H 1 1.204 0.005 A 29 THR C C 13 175.196 0.001 A 29 THR CA C 13 61.964 0.057 A 29 THR CB C 13 69.887 0.02 A 29 THR CG2 C 13 21.662 0.014 A 29 THR N N 15 115.272 0.054 A 30 GLY H H 1 8.427 0.003 A 30 GLY HAx H 1 3.967 0.01 A 30 GLY HAy H 1 4.025 0.011 A 30 GLY C C 13 174.363 . A 30 GLY CA C 13 45.406 0.048 A 30 GLY N N 15 110.922 0.045 A 31 GLU H H 1 8.323 0.002 A 31 GLU HA H 1 4.286 0.003 A 31 GLU HBx H 1 1.935 0.002 A 31 GLU HBy H 1 2.072 0.002 A 31 GLU HG2 H 1 2.253 0.002 A 31 GLU C C 13 176.965 0.037 A 31 GLU CA C 13 56.932 0.045 A 31 GLU CB C 13 30.277 0.06 A 31 GLU CG C 13 36.357 0.052 A 31 GLU N N 15 120.733 0.022 A 32 GLU H H 1 8.622 0.002 A 32 GLU HA H 1 4.279 0.006 A 32 GLU HBx H 1 1.986 0.008 A 32 GLU HBy H 1 2.085 0.002 A 32 GLU HG2 H 1 2.279 0.002 A 32 GLU C C 13 176.833 0.02 A 32 GLU CA C 13 57.096 0.083 A 32 GLU CB C 13 29.876 0.042 A 32 GLU CG C 13 36.294 0.006 A 32 GLU N N 15 121.613 0.034 A 33 SER H H 1 8.291 0.004 A 33 SER HA H 1 4.398 0.003 A 33 SER HBy H 1 3.914 0.016 A 33 SER HBx H 1 3.882 0.012 A 33 SER C C 13 175.266 0.023 A 33 SER CA C 13 58.942 0.022 A 33 SER CB C 13 63.859 0.015 A 33 SER N N 15 116.318 0.066 A 34 GLY H H 1 8.366 0.002 A 34 GLY HA2 H 1 3.957 0.009 A 34 GLY C C 13 174.144 0.03 A 34 GLY CA C 13 45.579 0.039 A 34 GLY N N 15 110.627 0.043 A 35 LEU H H 1 7.921 0.003 A 35 LEU HA H 1 4.313 0.013 A 35 LEU HB2 H 1 1.566 0.013 A 35 LEU HDx% H 1 0.888 0.009 A 35 LEU HDy% H 1 0.834 0.004 A 35 LEU HG H 1 1.554 0.008 A 35 LEU C C 13 177.162 0.027 A 35 LEU CA C 13 55.258 0.044 A 35 LEU CB C 13 42.440 0.049 A 35 LEU CDy C 13 24.963 0.023 A 35 LEU CDx C 13 23.480 0.059 A 35 LEU CG C 13 26.921 0.019 A 35 LEU N N 15 121.000 0.057 A 36 LEU H H 1 8.083 0.003 A 36 LEU HA H 1 4.311 0.005 A 36 LEU HBx H 1 1.494 0.006 A 36 LEU HBy H 1 1.583 0.003 A 36 LEU HDx% H 1 0.829 0.002 A 36 LEU HDy% H 1 0.899 0.001 A 36 LEU HG H 1 1.599 . A 36 LEU C C 13 176.960 0.019 A 36 LEU CA C 13 55.171 0.042 A 36 LEU CB C 13 42.411 0.028 A 36 LEU CDx C 13 23.589 0.001 A 36 LEU CDy C 13 24.864 0.086 A 36 LEU CG C 13 26.929 . A 36 LEU N N 15 121.549 0.019 A 37 HIS H H 1 8.409 0.003 A 37 HIS HA H 1 4.758 0.012 A 37 HIS HBx H 1 3.143 0.003 A 37 HIS HBy H 1 3.257 0.001 A 37 HIS HD2 H 1 7.196 0.008 A 37 HIS HE1 H 1 8.337 . A 37 HIS C C 13 174.893 0.033 A 37 HIS CA C 13 55.493 0.039 A 37 HIS CB C 13 29.632 0.067 A 37 HIS CD2 C 13 120.149 . A 37 HIS CE1 C 13 137.131 . A 37 HIS N N 15 119.596 0.015 A 38 THR H H 1 8.156 0.004 A 38 THR HA H 1 4.332 0.005 A 38 THR HB H 1 4.240 0.009 A 38 THR HG2% H 1 1.173 0.005 A 38 THR C C 13 176.198 . A 38 THR CA C 13 62.099 0.068 A 38 THR CB C 13 69.785 0.033 A 38 THR CG2 C 13 21.619 0.038 A 38 THR N N 15 115.084 0.053 A 39 GLY H H 1 8.419 0.004 A 39 GLY HAx H 1 3.935 0.002 A 39 GLY HAy H 1 4.018 0.003 A 39 GLY C C 13 173.756 0.0 A 39 GLY CA C 13 45.310 0.026 A 39 GLY N N 15 110.955 0.026 A 40 ASP H H 1 8.211 0.005 A 40 ASP HA H 1 4.627 0.004 A 40 ASP HBx H 1 2.596 0.004 A 40 ASP HBy H 1 2.684 0.004 A 40 ASP C C 13 176.240 . A 40 ASP CA C 13 54.526 0.019 A 40 ASP CB C 13 41.312 0.098 A 40 ASP N N 15 120.555 0.028 A 41 VAL H H 1 8.053 0.002 A 41 VAL HA H 1 4.083 0.005 A 41 VAL HB H 1 2.064 0.003 A 41 VAL HGx% H 1 0.905 0.003 A 41 VAL HGy% H 1 0.898 0.007 A 41 VAL C C 13 176.082 0.016 A 41 VAL CA C 13 62.459 0.033 A 41 VAL CB C 13 32.708 0.024 A 41 VAL CGx C 13 20.447 0.047 A 41 VAL CGy C 13 21.323 0.0 A 41 VAL N N 15 119.841 0.036 A 42 LEU H H 1 8.283 0.004 A 42 LEU HA H 1 4.343 0.006 A 42 LEU HBy H 1 1.608 0.015 A 42 LEU HBx H 1 1.561 0.005 A 42 LEU HDx% H 1 0.840 0.004 A 42 LEU HDy% H 1 0.839 0.002 A 42 LEU HG H 1 1.584 0.007 A 42 LEU C C 13 176.879 0.034 A 42 LEU CA C 13 55.170 0.046 A 42 LEU CB C 13 42.359 0.048 A 42 LEU CDy C 13 24.903 0.017 A 42 LEU CDx C 13 23.503 0.006 A 42 LEU CG C 13 26.996 0.058 A 42 LEU N N 15 125.346 0.073 A 43 ASP H H 1 8.247 0.002 A 43 ASP HA H 1 4.583 0.009 A 43 ASP HBx H 1 2.608 0.006 A 43 ASP HBy H 1 2.669 0.013 A 43 ASP C C 13 175.790 0.034 A 43 ASP CA C 13 54.515 0.026 A 43 ASP CB C 13 41.151 0.046 A 43 ASP N N 15 120.852 0.024 A 44 GLN H H 1 8.054 0.005 A 44 GLN HA H 1 4.576 0.004 A 44 GLN HBy H 1 1.938 0.008 A 44 GLN HBx H 1 1.892 0.007 A 44 GLN HE21 H 1 7.493 0.008 A 44 GLN HE22 H 1 6.854 0.002 A 44 GLN HGx H 1 2.200 0.006 A 44 GLN HGy H 1 2.292 0.003 A 44 GLN C C 13 175.186 0.02 A 44 GLN CA C 13 55.418 0.036 A 44 GLN CB C 13 30.550 0.053 A 44 GLN CG C 13 33.967 0.059 A 44 GLN N N 15 119.827 0.035 A 44 GLN NE2 N 15 111.926 0.039 A 45 VAL H H 1 8.328 0.003 A 45 VAL HA H 1 4.147 0.004 A 45 VAL HB H 1 2.144 0.004 A 45 VAL HGx% H 1 0.953 0.007 A 45 VAL HGy% H 1 0.919 0.009 A 45 VAL C C 13 174.585 0.03 A 45 VAL CA C 13 62.586 0.042 A 45 VAL CB C 13 32.836 0.031 A 45 VAL CGx C 13 20.887 0.026 A 45 VAL CGy C 13 21.409 . A 45 VAL N N 15 123.170 0.071 A 46 ALA H H 1 8.667 0.006 A 46 ALA HA H 1 5.623 0.006 A 46 ALA HB% H 1 1.215 0.005 A 46 ALA C C 13 176.920 0.042 A 46 ALA CA C 13 50.355 0.04 A 46 ALA CB C 13 21.041 0.043 A 46 ALA N N 15 133.641 0.086 A 47 ILE H H 1 9.180 0.006 A 47 ILE HA H 1 5.337 0.005 A 47 ILE HB H 1 2.149 0.005 A 47 ILE HD1% H 1 0.627 0.005 A 47 ILE HG1y H 1 1.237 0.011 A 47 ILE HG1x H 1 1.141 0.017 A 47 ILE HG2% H 1 0.757 0.005 A 47 ILE C C 13 174.525 0.05 A 47 ILE CA C 13 59.356 0.037 A 47 ILE CB C 13 41.736 0.02 A 47 ILE CD1 C 13 15.516 0.031 A 47 ILE CG1 C 13 23.779 0.048 A 47 ILE CG2 C 13 17.678 0.031 A 47 ILE N N 15 116.796 0.042 A 48 GLN H H 1 8.096 0.014 A 48 GLN HA H 1 4.565 0.007 A 48 GLN HBx H 1 1.965 0.003 A 48 GLN HBy H 1 2.203 0.003 A 48 GLN HE21 H 1 7.516 0.002 A 48 GLN HE22 H 1 6.916 0.003 A 48 GLN HGx H 1 2.375 0.013 A 48 GLN HGy H 1 2.416 0.011 A 48 GLN C C 13 175.922 0.004 A 48 GLN CA C 13 56.626 0.027 A 48 GLN CB C 13 30.658 0.049 A 48 GLN CG C 13 34.816 0.061 A 48 GLN N N 15 120.016 0.033 A 48 GLN NE2 N 15 112.367 0.048 A 49 CYS H H 1 8.694 0.004 A 49 CYS HA H 1 5.274 0.003 A 49 CYS HBy H 1 3.130 0.005 A 49 CYS HBx H 1 3.006 0.006 A 49 CYS C C 13 172.861 0.045 A 49 CYS CA C 13 56.748 0.047 A 49 CYS CB C 13 47.681 0.035 A 49 CYS N N 15 125.477 0.066 A 50 THR H H 1 8.656 0.005 A 50 THR HA H 1 4.501 0.006 A 50 THR HB H 1 4.250 0.003 A 50 THR HG2% H 1 1.242 0.006 A 50 THR C C 13 174.259 0.027 A 50 THR CA C 13 61.223 0.03 A 50 THR CB C 13 71.210 0.033 A 50 THR CG2 C 13 21.774 0.056 A 50 THR N N 15 111.443 0.041 A 51 GLN H H 1 8.443 0.007 A 51 GLN HA H 1 4.289 0.008 A 51 GLN HB2 H 1 2.004 0.004 A 51 GLN HE21 H 1 7.693 0.006 A 51 GLN HE22 H 1 6.913 0.006 A 51 GLN HG2 H 1 2.385 0.003 A 51 GLN C C 13 175.722 0.037 A 51 GLN CA C 13 56.421 0.039 A 51 GLN CB C 13 29.670 0.025 A 51 GLN CG C 13 33.993 0.047 A 51 GLN N N 15 121.519 0.067 A 51 GLN NE2 N 15 112.314 0.055 A 52 ILE H H 1 8.245 0.003 A 52 ILE HA H 1 4.219 0.006 A 52 ILE HB H 1 1.603 0.004 A 52 ILE HD1% H 1 0.696 0.007 A 52 ILE HG1x H 1 0.998 0.005 A 52 ILE HG1y H 1 1.323 0.003 A 52 ILE HG2% H 1 0.781 0.004 A 52 ILE C C 13 175.690 . A 52 ILE CA C 13 58.827 0.025 A 52 ILE CB C 13 38.840 0.054 A 52 ILE CD1 C 13 13.516 0.043 A 52 ILE CG1 C 13 27.056 0.052 A 52 ILE CG2 C 13 17.411 0.014 A 52 ILE N N 15 124.653 0.065 A 53 PRO HA H 1 4.212 0.004 A 53 PRO HBx H 1 1.709 0.006 A 53 PRO HBy H 1 1.945 0.004 A 53 PRO HD2 H 1 3.052 0.012 A 53 PRO HGx H 1 1.462 0.009 A 53 PRO HGy H 1 1.637 0.004 A 53 PRO C C 13 176.102 . A 53 PRO CA C 13 62.914 0.036 A 53 PRO CB C 13 31.907 0.066 A 53 PRO CD C 13 50.490 0.05 A 53 PRO CG C 13 27.238 0.053 A 54 LEU H H 1 8.167 0.007 A 54 LEU HA H 1 4.235 0.004 A 54 LEU HB2 H 1 1.541 0.007 A 54 LEU HDx% H 1 0.830 0.006 A 54 LEU HDy% H 1 0.815 0.016 A 54 LEU HG H 1 1.555 0.016 A 54 LEU C C 13 177.024 0.036 A 54 LEU CA C 13 55.172 0.015 A 54 LEU CB C 13 42.336 0.05 A 54 LEU CDy C 13 24.790 0.032 A 54 LEU CDx C 13 23.630 0.007 A 54 LEU CG C 13 26.972 0.043 A 54 LEU N N 15 121.450 0.032 A 55 LEU H H 1 7.630 0.004 A 55 LEU HA H 1 4.387 0.004 A 55 LEU HB2 H 1 1.543 0.004 A 55 LEU HDx% H 1 0.865 0.005 A 55 LEU HDy% H 1 0.851 0.011 A 55 LEU HG H 1 1.539 0.003 A 55 LEU C C 13 176.265 0.013 A 55 LEU CA C 13 54.464 0.081 A 55 LEU CB C 13 43.018 0.057 A 55 LEU CDy C 13 25.247 0.02 A 55 LEU CDx C 13 23.322 0.009 A 55 LEU CG C 13 26.942 0.044 A 55 LEU N N 15 121.261 0.031 A 56 ILE H H 1 7.917 0.002 A 56 ILE HA H 1 4.154 0.003 A 56 ILE HB H 1 1.824 0.006 A 56 ILE HD1% H 1 0.837 0.003 A 56 ILE HG1y H 1 1.429 0.005 A 56 ILE HG1x H 1 1.153 0.005 A 56 ILE HG2% H 1 0.868 0.011 A 56 ILE C C 13 176.625 0.026 A 56 ILE CA C 13 61.141 0.027 A 56 ILE CB C 13 38.897 0.033 A 56 ILE CD1 C 13 13.028 0.033 A 56 ILE CG1 C 13 27.304 0.032 A 56 ILE CG2 C 13 17.508 0.035 A 56 ILE N N 15 119.788 0.057 A 57 GLY H H 1 8.560 0.002 A 57 GLY HAx H 1 3.883 0.003 A 57 GLY HAy H 1 3.947 0.006 A 57 GLY C C 13 173.974 0.021 A 57 GLY CA C 13 45.818 0.047 A 57 GLY N N 15 112.922 0.024 A 58 ILE H H 1 7.746 0.011 A 58 ILE HA H 1 4.299 0.006 A 58 ILE HB H 1 1.911 0.005 A 58 ILE HD1% H 1 0.770 0.004 A 58 ILE HG1y H 1 1.364 0.003 A 58 ILE HG1x H 1 1.136 0.005 A 58 ILE HG2% H 1 0.936 0.007 A 58 ILE C C 13 174.916 0.015 A 58 ILE CA C 13 59.771 0.025 A 58 ILE CB C 13 38.942 0.024 A 58 ILE CD1 C 13 12.486 0.015 A 58 ILE CG1 C 13 26.867 0.021 A 58 ILE CG2 C 13 18.251 0.053 A 58 ILE N N 15 119.681 0.06 A 59 ALA H H 1 8.743 0.006 A 59 ALA HA H 1 4.627 0.004 A 59 ALA HB% H 1 1.551 0.004 A 59 ALA C C 13 178.832 . A 59 ALA CA C 13 51.557 0.041 A 59 ALA CB C 13 19.094 0.03 A 59 ALA N N 15 128.280 0.033 A 60 ILE H H 1 9.119 0.013 A 60 ILE HA H 1 3.799 0.005 A 60 ILE HB H 1 1.615 0.004 A 60 ILE HD1% H 1 0.185 0.013 A 60 ILE HG12 H 1 0.661 0.01 A 60 ILE HG2% H 1 0.861 0.007 A 60 ILE C C 13 176.169 . A 60 ILE CA C 13 64.031 0.049 A 60 ILE CB C 13 38.291 0.065 A 60 ILE CD1 C 13 13.707 0.052 A 60 ILE CG1 C 13 29.316 0.056 A 60 ILE CG2 C 13 16.426 0.044 A 61 GLU H H 1 9.725 0.006 A 61 GLU HA H 1 3.843 0.004 A 61 GLU HBx H 1 1.873 0.011 A 61 GLU HBy H 1 2.036 0.005 A 61 GLU HGy H 1 2.533 0.005 A 61 GLU HGx H 1 2.065 0.012 A 61 GLU C C 13 177.038 . A 61 GLU CA C 13 60.034 0.055 A 61 GLU CB C 13 28.627 0.038 A 61 GLU CG C 13 37.259 0.036 A 61 GLU N N 15 120.702 0.025 A 62 ASP H H 1 7.361 0.006 A 62 ASP HA H 1 4.705 0.007 A 62 ASP HB2 H 1 2.785 0.007 A 62 ASP C C 13 176.776 0.018 A 62 ASP CA C 13 55.443 0.067 A 62 ASP CB C 13 41.974 0.04 A 62 ASP N N 15 115.647 0.032 A 63 GLU H H 1 7.535 0.007 A 63 GLU HA H 1 4.492 0.003 A 63 GLU HBx H 1 1.927 0.003 A 63 GLU HBy H 1 2.186 0.005 A 63 GLU HGx H 1 2.320 0.018 A 63 GLU HGy H 1 2.374 0.005 A 63 GLU C C 13 176.341 0.017 A 63 GLU CA C 13 56.577 0.051 A 63 GLU CB C 13 31.852 0.037 A 63 GLU CG C 13 35.731 0.057 A 63 GLU N N 15 116.925 0.032 A 64 CYS H H 1 8.029 0.009 A 64 CYS HA H 1 4.736 0.006 A 64 CYS HBx H 1 2.587 0.005 A 64 CYS HBy H 1 2.842 0.005 A 64 CYS C C 13 174.501 0.035 A 64 CYS CA C 13 54.940 0.049 A 64 CYS CB C 13 38.139 0.043 A 64 CYS N N 15 116.417 0.018 A 65 LYS H H 1 9.176 0.012 A 65 LYS HA H 1 4.484 0.003 A 65 LYS HBy H 1 2.041 0.006 A 65 LYS HBx H 1 1.696 0.009 A 65 LYS HD2 H 1 1.619 0.006 A 65 LYS HE2 H 1 3.025 0.005 A 65 LYS HGx H 1 1.485 0.011 A 65 LYS HGy H 1 1.541 0.006 A 65 LYS C C 13 176.339 0.02 A 65 LYS CA C 13 55.855 0.036 A 65 LYS CB C 13 31.597 0.049 A 65 LYS CD C 13 28.229 0.043 A 65 LYS CE C 13 42.438 0.018 A 65 LYS CG C 13 24.682 0.016 A 65 LYS N N 15 128.480 0.079 A 66 ASN H H 1 7.028 0.007 A 66 ASN HA H 1 5.002 0.004 A 66 ASN HBy H 1 2.898 0.004 A 66 ASN HBx H 1 2.217 0.004 A 66 ASN HD21 H 1 7.468 0.017 A 66 ASN HD22 H 1 6.911 0.003 A 66 ASN C C 13 172.699 0.012 A 66 ASN CA C 13 52.761 0.028 A 66 ASN CB C 13 39.170 0.02 A 66 ASN N N 15 119.490 0.028 A 66 ASN ND2 N 15 111.883 0.038 A 67 THR H H 1 8.541 0.003 A 67 THR HA H 1 4.831 0.007 A 67 THR HB H 1 4.118 0.005 A 67 THR HG2% H 1 1.141 0.005 A 67 THR C C 13 172.328 . A 67 THR CA C 13 60.465 0.03 A 67 THR CB C 13 70.777 0.029 A 67 THR CG2 C 13 21.233 0.062 A 67 THR N N 15 120.118 0.047 A 68 PRO HA H 1 4.587 0.006 A 68 PRO HBy H 1 1.905 0.011 A 68 PRO HBx H 1 1.837 0.007 A 68 PRO HDx H 1 3.854 0.006 A 68 PRO HDy H 1 3.935 0.006 A 68 PRO HGx H 1 1.615 0.007 A 68 PRO HGy H 1 2.189 0.006 A 68 PRO C C 13 175.926 0.026 A 68 PRO CA C 13 62.826 0.053 A 68 PRO CB C 13 31.679 0.026 A 68 PRO CD C 13 51.403 0.054 A 68 PRO CG C 13 28.207 0.056 A 69 THR H H 1 9.182 0.007 A 69 THR HA H 1 4.942 0.007 A 69 THR HB H 1 3.563 0.003 A 69 THR HG2% H 1 0.746 0.004 A 69 THR C C 13 171.339 0.022 A 69 THR CA C 13 60.152 0.022 A 69 THR CB C 13 72.139 0.018 A 69 THR CG2 C 13 21.693 0.038 A 69 THR N N 15 118.321 0.063 A 70 CYS H H 1 8.727 0.007 A 70 CYS HA H 1 5.216 0.004 A 70 CYS HBy H 1 3.002 0.004 A 70 CYS HBx H 1 2.668 0.005 A 70 CYS C C 13 175.232 0.031 A 70 CYS CA C 13 53.301 0.023 A 70 CYS CB C 13 38.367 0.043 A 70 CYS N N 15 119.384 0.022 A 71 CYS H H 1 9.578 0.003 A 71 CYS HA H 1 5.125 0.004 A 71 CYS HBy H 1 3.391 0.003 A 71 CYS HBx H 1 2.518 0.006 A 71 CYS C C 13 174.010 0.023 A 71 CYS CA C 13 55.696 0.029 A 71 CYS CB C 13 45.356 0.03 A 71 CYS N N 15 127.482 0.083 A 72 GLU H H 1 8.205 0.009 A 72 GLU HA H 1 4.121 0.008 A 72 GLU HB2 H 1 2.089 0.002 A 72 GLU HGy H 1 2.672 0.004 A 72 GLU HGx H 1 2.311 0.004 A 72 GLU C C 13 176.975 0.041 A 72 GLU CA C 13 59.388 0.038 A 72 GLU CB C 13 30.707 0.037 A 72 GLU CG C 13 36.719 0.04 A 72 GLU N N 15 124.459 0.023 A 73 ASP H H 1 8.026 0.006 A 73 ASP HA H 1 4.720 0.007 A 73 ASP HBx H 1 2.385 0.004 A 73 ASP HBy H 1 2.578 0.007 A 73 ASP C C 13 173.613 0.029 A 73 ASP CA C 13 52.926 0.05 A 73 ASP CB C 13 44.396 0.03 A 73 ASP N N 15 113.007 0.037 A 74 VAL H H 1 8.712 0.005 A 74 VAL HA H 1 4.981 0.006 A 74 VAL HB H 1 1.891 0.003 A 74 VAL HGx% H 1 0.839 0.003 A 74 VAL HGy% H 1 0.774 0.005 A 74 VAL C C 13 175.081 0.003 A 74 VAL CA C 13 60.664 0.042 A 74 VAL CB C 13 35.649 0.033 A 74 VAL CGy C 13 21.504 0.012 A 74 VAL CGx C 13 20.415 0.022 A 74 VAL N N 15 117.065 0.051 A 75 GLU H H 1 9.370 0.005 A 75 GLU HA H 1 4.656 0.016 A 75 GLU HB2 H 1 2.074 0.007 A 75 GLU HGx H 1 2.076 0.006 A 75 GLU HGy H 1 2.168 0.003 A 75 GLU C C 13 176.181 0.009 A 75 GLU CA C 13 54.622 0.085 A 75 GLU CB C 13 32.916 0.06 A 75 GLU CG C 13 36.052 0.057 A 75 GLU N N 15 124.295 0.02 A 76 ASP H H 1 8.889 0.003 A 76 ASP HA H 1 4.250 0.003 A 76 ASP HBx H 1 2.523 0.008 A 76 ASP HBy H 1 2.873 0.005 A 76 ASP C C 13 176.505 0.024 A 76 ASP CA C 13 55.669 0.061 A 76 ASP CB C 13 39.607 0.044 A 76 ASP N N 15 120.556 0.044 A 77 ASP H H 1 8.596 0.002 A 77 ASP HA H 1 4.254 0.01 A 77 ASP HBx H 1 2.655 0.004 A 77 ASP HBy H 1 2.923 0.006 A 77 ASP CA C 13 55.256 0.08 A 77 ASP CB C 13 39.793 0.034 A 77 ASP N N 15 115.370 0.046 A 78 GLY H H 1 7.552 0.002 A 78 GLY HAy H 1 4.317 0.008 A 78 GLY HAx H 1 3.388 0.003 A 78 GLY C C 13 173.412 . A 78 GLY CA C 13 44.836 0.03 A 79 LEU H H 1 7.368 0.014 A 79 LEU HA H 1 4.347 0.005 A 79 LEU HBx H 1 1.677 0.008 A 79 LEU HBy H 1 1.881 0.004 A 79 LEU HDx% H 1 0.952 0.004 A 79 LEU HDy% H 1 0.869 0.007 A 79 LEU HG H 1 1.701 0.012 A 79 LEU C C 13 177.310 . A 79 LEU CA C 13 55.963 0.065 A 79 LEU CB C 13 42.034 0.042 A 79 LEU CDy C 13 25.361 0.057 A 79 LEU CDx C 13 23.032 0.033 A 79 LEU CG C 13 27.101 0.07 A 79 LEU N N 15 116.925 0.025 A 80 VAL H H 1 7.674 0.006 A 80 VAL HA H 1 4.721 0.004 A 80 VAL HB H 1 1.660 0.01 A 80 VAL HGx% H 1 0.877 0.006 A 80 VAL HGy% H 1 0.763 0.004 A 80 VAL C C 13 174.398 0.051 A 80 VAL CA C 13 61.202 0.041 A 80 VAL CB C 13 34.852 0.035 A 80 VAL CGy C 13 21.854 0.021 A 80 VAL CGx C 13 21.756 0.011 A 80 VAL N N 15 119.984 0.112 A 81 GLY H H 1 9.253 0.004 A 81 GLY HAx H 1 3.646 0.014 A 81 GLY HAy H 1 4.495 0.005 A 81 GLY C C 13 171.984 0.045 A 81 GLY CA C 13 45.241 0.023 A 81 GLY N N 15 117.067 0.055 A 82 ILE H H 1 8.531 0.01 A 82 ILE HA H 1 4.447 0.004 A 82 ILE HB H 1 1.640 0.004 A 82 ILE HD1% H 1 0.599 0.007 A 82 ILE HG1y H 1 1.273 0.006 A 82 ILE HG1x H 1 1.040 0.006 A 82 ILE HG2% H 1 0.736 0.004 A 82 ILE C C 13 174.772 0.029 A 82 ILE CA C 13 59.174 0.024 A 82 ILE CB C 13 38.394 0.033 A 82 ILE CD1 C 13 11.920 0.069 A 82 ILE CG1 C 13 26.979 0.032 A 82 ILE CG2 C 13 17.776 0.022 A 82 ILE N N 15 124.272 0.045 A 83 ASN H H 1 8.941 0.003 A 83 ASN HA H 1 4.452 0.003 A 83 ASN HBy H 1 2.979 0.012 A 83 ASN HBx H 1 2.924 0.011 A 83 ASN HD21 H 1 7.775 0.003 A 83 ASN HD22 H 1 6.958 0.005 A 83 ASN C C 13 174.347 0.034 A 83 ASN CA C 13 53.974 0.05 A 83 ASN CB C 13 36.112 0.023 A 83 ASN N N 15 124.872 0.031 A 83 ASN ND2 N 15 112.013 0.05 A 84 CYS H H 1 9.303 0.01 A 84 CYS HA H 1 5.250 0.005 A 84 CYS HBx H 1 2.660 0.007 A 84 CYS HBy H 1 2.838 0.004 A 84 CYS C C 13 174.987 0.019 A 84 CYS CA C 13 56.283 0.034 A 84 CYS CB C 13 45.786 0.024 A 84 CYS N N 15 122.171 0.055 A 85 THR H H 1 8.758 0.005 A 85 THR HA H 1 4.811 0.006 A 85 THR HB H 1 4.046 0.004 A 85 THR HG2% H 1 1.268 0.005 A 85 THR C C 13 172.100 . A 85 THR CA C 13 59.143 0.052 A 85 THR CB C 13 71.305 0.021 A 85 THR CG2 C 13 21.033 0.05 A 85 THR N N 15 119.671 0.051 A 86 PRO HA H 1 4.499 0.011 A 86 PRO HBx H 1 1.831 0.004 A 86 PRO HBy H 1 2.205 0.006 A 86 PRO HDx H 1 3.729 0.006 A 86 PRO HDy H 1 3.849 0.006 A 86 PRO HGx H 1 1.739 0.005 A 86 PRO HGy H 1 2.177 0.007 A 86 PRO C C 13 176.285 0.015 A 86 PRO CA C 13 63.321 0.046 A 86 PRO CB C 13 32.296 0.053 A 86 PRO CD C 13 51.586 0.049 A 86 PRO CG C 13 28.094 0.053 A 87 ILE H H 1 7.785 0.015 A 87 ILE HA H 1 4.418 0.003 A 87 ILE HB H 1 1.707 0.005 A 87 ILE HD1% H 1 0.614 0.005 A 87 ILE HG1x H 1 0.825 0.006 A 87 ILE HG1y H 1 1.340 0.005 A 87 ILE HG2% H 1 0.818 0.006 A 87 ILE C C 13 173.926 . A 87 ILE CA C 13 59.327 0.054 A 87 ILE CB C 13 38.199 0.035 A 87 ILE CD1 C 13 13.904 0.045 A 87 ILE CG1 C 13 26.968 0.052 A 87 ILE CG2 C 13 17.622 0.047 A 87 ILE N N 15 122.214 0.035 A 88 PRO HA H 1 4.410 0.003 A 88 PRO HBy H 1 2.248 0.004 A 88 PRO HBx H 1 1.939 0.008 A 88 PRO HDx H 1 3.634 0.004 A 88 PRO HDy H 1 3.844 0.005 A 88 PRO HGy H 1 2.080 0.005 A 88 PRO HGx H 1 1.972 0.009 A 88 PRO C C 13 176.241 . A 88 PRO CA C 13 63.093 0.043 A 88 PRO CB C 13 31.922 0.032 A 88 PRO CD C 13 50.871 0.041 A 88 PRO CG C 13 27.602 0.021 A 89 LEU H H 1 8.284 0.008 A 89 LEU HA H 1 4.395 0.005 A 89 LEU HBy H 1 1.639 0.005 A 89 LEU HBx H 1 1.603 0.01 A 89 LEU HDx% H 1 0.927 0.006 A 89 LEU HDy% H 1 0.837 0.004 A 89 LEU HG H 1 1.695 0.002 A 89 LEU C C 13 176.299 . A 89 LEU CA C 13 54.878 0.068 A 89 LEU CB C 13 42.370 0.022 A 89 LEU CDy C 13 25.344 0.025 A 89 LEU CDx C 13 23.338 0.036 A 89 LEU CG C 13 26.975 0.081 A 89 LEU N N 15 122.721 0.035 A 90 ILE H H 1 7.481 0.004 A 90 ILE HA H 1 4.064 0.005 A 90 ILE HB H 1 1.796 0.003 A 90 ILE HD1% H 1 0.847 0.004 A 90 ILE HG1y H 1 1.383 0.005 A 90 ILE HG1x H 1 1.104 0.007 A 90 ILE HG2% H 1 0.854 0.004 A 90 ILE C C 13 172.575 . A 90 ILE CA C 13 62.516 0.023 A 90 ILE CB C 13 40.126 0.043 A 90 ILE CD1 C 13 13.712 0.023 A 90 ILE CG1 C 13 27.286 0.036 A 90 ILE CG2 C 13 18.023 0.066 A 90 ILE N N 15 124.221 0.017 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 12 ASN HA A 12 ASN HBy 1.0 1.498 2.496 2 1 A 12 ASN HBx A 12 ASN HA 1.0 1.498 2.496 3 2 A 45 VAL HA A 45 VAL HGx% 1.0 1.494 2.482 4 2 A 45 VAL HGy% A 45 VAL HA 1.0 1.494 2.482 5 3 A 35 LEU HDy% A 35 LEU HG 1.0 1.372 2.146 6 3 A 35 LEU HB2 A 35 LEU HDy% 1.0 1.372 2.146 7 4 A 8 THR HA A 8 THR HG2% 1.0 1.500 2.500 8 4 A 8 THR HG2% A 8 THR HB 1.0 1.500 2.500 9 5 A 45 VAL HGy% A 45 VAL HB 1.0 1.442 2.332 10 5 A 45 VAL HGx% A 45 VAL HB 1.0 1.442 2.332 11 6 A 36 LEU H A 36 LEU HA 1.0 1.580 2.754 12 6 A 36 LEU H A 35 LEU HA 1.0 1.580 2.754 13 7 A 40 ASP HBx A 41 VAL HGx% 1.0 1.871 4.101 14 7 A 40 ASP HBx A 41 VAL HGy% 1.0 1.871 4.101 15 8 A 68 PRO HDx A 68 PRO HBy 1.0 1.821 3.781 16 8 A 68 PRO HBx A 68 PRO HDx 1.0 1.821 3.781 17 9 A 55 LEU HB2 A 55 LEU HDx% 1.0 1.530 2.592 18 9 A 55 LEU HB2 A 55 LEU HDy% 1.0 1.530 2.592 19 10 A 41 VAL HGx% A 41 VAL HB 1.0 1.501 2.503 20 10 A 41 VAL HGy% A 41 VAL HB 1.0 1.501 2.503 21 11 A 65 LYS HBy A 65 LYS HGy 1.0 1.670 3.080 22 11 A 65 LYS HGx A 65 LYS HBy 1.0 1.670 3.080 23 12 A 44 GLN HA A 44 GLN HBy 1.0 1.647 2.991 24 12 A 44 GLN HBx A 44 GLN HA 1.0 1.647 2.991 25 13 A 25 VAL HA A 25 VAL HGy% 1.0 1.510 2.528 26 13 A 25 VAL HA A 25 VAL HGx% 1.0 1.510 2.528 27 14 A 42 LEU HA A 42 LEU HG 1.0 1.554 2.668 28 14 A 42 LEU HA A 42 LEU HBx 1.0 1.554 2.668 29 15 A 42 LEU HA A 42 LEU HDy% 1.0 1.565 2.703 30 15 A 42 LEU HA A 42 LEU HDx% 1.0 1.565 2.703 31 16 A 7 LYS HG2 A 7 LYS HEx 1.0 1.711 3.247 32 16 A 7 LYS HEy A 7 LYS HG2 1.0 1.711 3.247 33 17 A 48 GLN HBx A 48 GLN HGy 1.0 1.648 2.998 34 17 A 48 GLN HGx A 48 GLN HBx 1.0 1.648 2.998 35 18 A 25 VAL HGx% A 25 VAL HB 1.0 1.506 2.516 36 18 A 25 VAL HGy% A 25 VAL HB 1.0 1.506 2.516 37 19 A 33 SER HA A 33 SER HBx 1.0 1.533 2.603 38 19 A 33 SER HBy A 33 SER HA 1.0 1.533 2.603 39 20 A 12 ASN HBx A 12 ASN HD22 1.0 1.810 3.722 40 20 A 12 ASN HBy A 12 ASN HD22 1.0 1.810 3.722 41 21 A 9 GLY H A 9 GLY HAx 1.0 1.772 3.528 42 21 A 9 GLY H A 9 GLY HAy 1.0 1.772 3.528 43 22 A 48 GLN HGx A 48 GLN HE21 1.0 1.756 3.450 44 22 A 51 GLN HE21 A 51 GLN HG2 1.0 1.756 3.450 45 23 A 90 ILE H A 90 ILE HG2% 1.0 1.879 4.151 46 23 A 90 ILE HD1% A 90 ILE H 1.0 1.879 4.151 47 24 A 41 VAL HGy% A 42 LEU H 1.0 1.733 3.347 48 24 A 41 VAL HGx% A 42 LEU H 1.0 1.733 3.347 49 25 A 9 GLY HAy A 10 SER H 1.0 1.793 3.629 50 25 A 9 GLY HAx A 10 SER H 1.0 1.793 3.629 51 26 A 33 SER HBy A 33 SER H 1.0 1.821 3.783 52 26 A 33 SER HBx A 33 SER H 1.0 1.821 3.783 53 27 A 48 GLN HGy A 48 GLN H 1.0 1.882 4.176 54 27 A 48 GLN HGx A 48 GLN H 1.0 1.882 4.176 55 28 A 44 GLN HBy A 44 GLN HE21 1.0 1.951 4.801 56 28 A 44 GLN HBx A 44 GLN HE21 1.0 1.951 4.801 57 29 A 83 ASN HD22 A 83 ASN HBx 1.0 1.808 3.714 58 29 A 83 ASN HD22 A 83 ASN HBy 1.0 1.808 3.714 59 30 A 36 LEU H A 35 LEU HDx% 1.0 1.934 4.608 60 30 A 35 LEU HDy% A 36 LEU H 1.0 1.934 4.608 61 31 A 83 ASN HBx A 83 ASN H 1.0 1.891 4.245 62 31 A 83 ASN HBy A 83 ASN H 1.0 1.891 4.245 63 32 A 43 ASP H A 42 LEU HBy 1.0 1.822 3.794 64 32 A 42 LEU HBx A 43 ASP H 1.0 1.822 3.794 65 33 A 17 ALA HA A 17 ALA HB% 1.0 1.530 2.594 66 34 A 17 ALA HB% A 17 ALA H 1.0 1.742 3.384 67 35 A 19 CYS H A 18 CYS HA 1.0 1.639 2.961 68 36 A 18 CYS HA A 18 CYS H 1.0 1.852 3.970 69 37 A 18 CYS H A 18 CYS HBx 1.0 1.829 3.835 70 38 A 18 CYS H A 18 CYS HBy 1.0 1.931 4.581 71 39 A 12 ASN HBx A 12 ASN HA 1.0 1.604 2.834 72 40 A 43 ASP H A 43 ASP HA 1.0 1.664 3.056 73 41 A 77 ASP H A 77 ASP HBy 1.0 1.860 4.024 74 42 A 11 CYS HBy A 11 CYS HBx 1.0 1.575 2.737 75 43 A 11 CYS HBx A 11 CYS HA 1.0 1.896 4.278 76 44 A 11 CYS HBy A 11 CYS HA 1.0 1.894 4.268 77 45 A 78 GLY HAy A 78 GLY HAx 1.0 1.477 2.433 78 46 A 78 GLY HAx A 79 LEU H 1.0 1.909 4.389 79 47 A 81 GLY H A 81 GLY HAx 1.0 1.691 3.165 80 48 A 81 GLY HAx A 82 ILE H 1.0 1.714 3.260 81 49 A 82 ILE H A 81 GLY HAy 1.0 1.617 2.881 82 50 A 81 GLY H A 81 GLY HAy 1.0 1.774 3.538 83 51 A 37 HIS HA A 37 HIS HBy 1.0 1.814 3.746 84 52 A 13 THR HA A 13 THR HB 1.0 1.676 3.102 85 53 A 13 THR HA A 14 GLY H 1.0 1.870 4.090 86 54 A 4 TRP HA A 4 TRP HBy 1.0 1.850 3.960 87 55 A 4 TRP HA A 4 TRP HBx 1.0 1.898 4.300 88 56 A 60 ILE HG2% A 60 ILE HD1% 1.0 1.710 3.244 89 57 A 60 ILE HG2% A 60 ILE HG1y 1.0 1.650 3.004 90 58 A 60 ILE HG2% A 60 ILE HB 1.0 1.605 2.837 91 59 A 79 LEU H A 79 LEU HA 1.0 1.754 3.440 92 60 A 69 THR HB A 84 CYS HBy 1.0 1.773 3.529 93 61 A 84 CYS HBy A 69 THR HG2% 1.0 1.780 3.566 94 62 A 84 CYS HBy A 47 ILE HD1% 1.0 1.698 3.194 95 63 A 69 THR HG2% A 84 CYS HBx 1.0 1.759 3.465 96 64 A 47 ILE HD1% A 84 CYS HBx 1.0 1.770 3.520 97 65 A 71 CYS HBy A 71 CYS HBx 1.0 1.478 2.434 98 66 A 71 CYS HBx A 74 VAL HGy% 1.0 1.775 3.539 99 67 A 87 ILE HB A 87 ILE HD1% 1.0 1.662 3.050 100 68 A 87 ILE HD1% A 87 ILE HG1y 1.0 1.574 2.736 101 69 A 68 PRO HBx A 87 ILE HD1% 1.0 1.754 3.438 102 70 A 87 ILE HD1% A 10 SER HB2 1.0 1.772 3.530 103 71 A 87 ILE HD1% A 69 THR H 1.0 1.875 4.121 104 72 A 45 VAL HA A 46 ALA HB% 1.0 1.838 3.884 105 73 A 45 VAL HA A 45 VAL HB 1.0 1.703 3.215 106 74 A 45 VAL HA A 46 ALA H 1.0 1.487 2.461 107 75 A 45 VAL HA A 45 VAL H 1.0 1.751 3.429 108 76 A 51 GLN HBy A 50 THR HA 1.0 1.873 4.109 109 77 A 50 THR HA A 50 THR H 1.0 1.777 3.555 110 78 A 50 THR HA A 51 GLN H 1.0 1.568 2.712 111 79 A 89 LEU HA A 89 LEU HDy% 1.0 1.451 2.357 112 80 A 58 ILE HG1x A 58 ILE HD1% 1.0 1.703 3.213 113 81 A 58 ILE HD1% A 58 ILE HB 1.0 1.704 3.222 114 82 A 58 ILE HD1% A 59 ALA HB% 1.0 1.687 3.149 115 83 A 58 ILE HD1% A 58 ILE HG1y 1.0 1.603 2.831 116 84 A 65 LYS HE2 A 65 LYS HD2 1.0 1.592 2.794 117 85 A 65 LYS HBy A 65 LYS HD2 1.0 1.621 2.895 118 86 A 83 ASN HBy A 83 ASN HA 1.0 1.664 3.058 119 87 A 45 VAL HB A 83 ASN HA 1.0 1.822 3.792 120 88 A 83 ASN HA A 84 CYS H 1.0 1.637 2.953 121 89 A 86 PRO HGx A 85 THR HA 1.0 1.850 3.960 122 90 A 85 THR HA A 85 THR HB 1.0 1.689 3.157 123 91 A 85 THR HA A 86 PRO HDx 1.0 1.545 2.639 124 92 A 85 THR HA A 85 THR HG2% 1.0 1.552 2.664 125 93 A 85 THR HA A 85 THR H 1.0 1.787 3.603 126 94 A 50 THR HA A 50 THR HG2% 1.0 1.669 3.079 127 95 A 47 ILE HG1y A 47 ILE HB 1.0 1.782 3.574 128 96 A 47 ILE HB A 47 ILE HG1x 1.0 1.819 3.775 129 97 A 47 ILE HD1% A 47 ILE HB 1.0 1.699 3.195 130 98 A 75 GLU HBy A 75 GLU HA 1.0 1.662 3.048 131 99 A 15 LYS HBx A 15 LYS HA 1.0 1.580 2.754 132 100 A 15 LYS HA A 15 LYS HGy 1.0 1.625 2.909 133 101 A 75 GLU HA A 76 ASP H 1.0 1.663 3.051 134 102 A 15 LYS HA A 16 LEU H 1.0 1.558 2.680 135 103 A 35 LEU HG A 35 LEU HA 1.0 1.823 3.797 136 104 A 55 LEU HA A 55 LEU HG 1.0 1.768 3.508 137 105 A 90 ILE HG1x A 88 PRO HBx 1.0 1.846 3.932 138 106 A 63 GLU HBy A 58 ILE HG2% 1.0 1.747 3.411 139 107 A 68 PRO HBy A 87 ILE HG1y 1.0 1.831 3.845 140 108 A 88 PRO HBx A 88 PRO HDx 1.0 1.812 3.734 141 109 A 88 PRO HBx A 88 PRO HDy 1.0 1.778 3.558 142 110 A 88 PRO HBx A 89 LEU H 1.0 1.869 4.081 143 111 A 63 GLU HBy A 63 GLU H 1.0 1.760 3.470 144 112 A 51 GLN HE21 A 63 GLU HBy 1.0 1.827 3.819 145 113 A 90 ILE HG2% A 90 ILE HB 1.0 1.704 3.220 146 114 A 90 ILE H A 90 ILE HB 1.0 1.807 3.707 147 115 A 47 ILE HG1y A 47 ILE H 1.0 1.853 3.979 148 116 A 38 THR HB A 38 THR HG2% 1.0 1.569 2.717 149 117 A 13 THR HA A 13 THR HG2% 1.0 1.698 3.194 150 118 A 38 THR HG2% A 38 THR HA 1.0 1.494 2.480 151 119 A 84 CYS HBy A 84 CYS HA 1.0 1.823 3.801 152 120 A 84 CYS HBx A 84 CYS HA 1.0 1.764 3.490 153 121 A 84 CYS H A 84 CYS HA 1.0 1.858 4.012 154 122 A 85 THR H A 84 CYS HA 1.0 1.610 2.858 155 123 A 84 CYS HA A 72 GLU H 1.0 1.837 3.877 156 124 A 87 ILE HB A 87 ILE HG1y 1.0 1.785 3.593 157 125 A 87 ILE HB A 88 PRO HDx 1.0 1.742 3.388 158 126 A 87 ILE HB A 87 ILE H 1.0 1.760 3.468 159 127 A 59 ALA HB% A 58 ILE HA 1.0 1.823 3.799 160 128 A 58 ILE HG1x A 58 ILE HA 1.0 1.791 3.621 161 129 A 58 ILE HB A 58 ILE HA 1.0 1.637 2.953 162 130 A 58 ILE HG1y A 58 ILE HA 1.0 1.794 3.640 163 131 A 58 ILE HG2% A 58 ILE HA 1.0 1.618 2.886 164 132 A 58 ILE HD1% A 58 ILE HA 1.0 1.719 3.281 165 133 A 58 ILE HA A 59 ALA H 1.0 1.487 2.461 166 134 A 58 ILE HA A 58 ILE H 1.0 1.754 3.438 167 135 A 71 CYS HBx A 15 LYS HBy 1.0 1.867 4.073 168 136 A 71 CYS HBx A 71 CYS H 1.0 1.762 3.482 169 137 A 82 ILE H A 71 CYS HBx 1.0 1.879 4.151 170 138 A 71 CYS HBx A 72 GLU H 1.0 1.867 4.071 171 139 A 71 CYS HBx A 73 ASP H 1.0 1.826 3.812 172 140 A 86 PRO HA A 67 THR HG2% 1.0 1.724 3.306 173 141 A 12 ASN HBx A 13 THR HG2% 1.0 1.839 3.889 174 142 A 12 ASN HBx A 12 ASN HD22 1.0 1.878 4.144 175 143 A 68 PRO HGx A 68 PRO HGy 1.0 1.489 2.467 176 144 A 67 THR HG2% A 68 PRO HGx 1.0 1.814 3.746 177 145 A 86 PRO HGx A 86 PRO HGy 1.0 1.428 2.294 178 146 A 20 ASP HBy A 20 ASP HA 1.0 1.767 3.501 179 147 A 20 ASP HA A 20 ASP HBx 1.0 1.708 3.236 180 148 A 20 ASP HA A 20 ASP H 1.0 1.727 3.315 181 149 A 21 THR HA A 47 ILE HG2% 1.0 1.584 2.766 182 150 A 47 ILE HB A 47 ILE HG2% 1.0 1.491 2.473 183 151 A 47 ILE HG2% A 47 ILE HA 1.0 1.612 2.866 184 152 A 48 GLN H A 47 ILE HG2% 1.0 1.757 3.455 185 153 A 86 PRO HA A 86 PRO HDy 1.0 1.825 3.809 186 154 A 86 PRO HA A 86 PRO HBy 1.0 1.611 2.859 187 155 A 86 PRO HA A 86 PRO HBx 1.0 1.740 3.376 188 156 A 86 PRO HGx A 86 PRO HA 1.0 1.777 3.551 189 157 A 69 THR HG2% A 86 PRO HA 1.0 1.610 2.858 190 158 A 86 PRO HA A 69 THR HA 1.0 1.621 2.897 191 159 A 87 ILE H A 86 PRO HA 1.0 1.538 2.616 192 160 A 45 VAL HB A 45 VAL H 1.0 1.659 3.037 193 161 A 79 LEU HG A 76 ASP HBy 1.0 1.823 3.797 194 162 A 76 ASP HBy A 79 LEU HBx 1.0 1.859 4.021 195 163 A 76 ASP HBy A 76 ASP HBx 1.0 1.465 2.399 196 164 A 76 ASP H A 76 ASP HBy 1.0 1.875 4.121 197 165 A 54 LEU HG A 53 PRO HA 1.0 1.836 3.872 198 166 A 53 PRO HA A 53 PRO HBy 1.0 1.677 3.109 199 167 A 53 PRO HA A 53 PRO HBx 1.0 1.736 3.356 200 168 A 53 PRO HA A 54 LEU H 1.0 1.576 2.740 201 169 A 23 LYS HE2 A 23 LYS HD2 1.0 1.559 2.683 202 170 A 23 LYS HD2 A 23 LYS HA 1.0 2.786 4.596 203 171 A 24 LYS HA A 24 LYS HD2 1.0 1.816 3.758 204 172 A 84 CYS HBy A 84 CYS H 1.0 1.743 3.387 205 173 A 27 LYS HD2 A 27 LYS HE2 1.0 1.576 2.740 206 174 A 27 LYS HE2 A 27 LYS HGy 1.0 2.131 3.435 207 175 A 27 LYS HE2 A 27 LYS HBy 1.0 1.717 3.273 208 176 A 87 ILE HG1y A 87 ILE HG1x 1.0 1.467 2.401 209 177 A 87 ILE HG1y A 87 ILE H 1.0 1.806 3.702 210 178 A 24 LYS HGx A 24 LYS HBx 1.0 1.670 3.080 211 179 A 24 LYS HBx A 24 LYS H 1.0 1.718 3.278 212 180 A 29 THR HB A 29 THR HG2% 1.0 1.537 2.613 213 181 A 60 ILE HG1y A 60 ILE HA 1.0 1.800 3.672 214 182 A 60 ILE HB A 60 ILE HA 1.0 1.704 3.218 215 183 A 60 ILE HD1% A 60 ILE HA 1.0 1.835 3.867 216 184 A 60 ILE HA A 51 GLN HE22 1.0 1.827 3.819 217 185 A 51 GLN HE21 A 60 ILE HA 1.0 1.833 3.853 218 186 A 23 LYS HE2 A 23 LYS HG2 1.0 1.538 2.618 219 187 A 26 GLN HBx A 26 GLN HA 1.0 1.596 2.808 220 188 A 26 GLN HA A 26 GLN HBy 1.0 1.649 2.997 221 189 A 15 LYS HGy A 15 LYS H 1.0 1.860 4.024 222 190 A 47 ILE HD1% A 47 ILE HG1y 1.0 1.693 3.171 223 191 A 56 ILE HB A 56 ILE HD1% 1.0 1.660 3.042 224 192 A 56 ILE HD1% A 56 ILE HG1y 1.0 1.559 2.685 225 193 A 56 ILE HD1% A 56 ILE HG1x 1.0 1.506 2.520 226 194 A 15 LYS HA A 15 LYS HBy 1.0 1.846 3.930 227 195 A 15 LYS HBy A 15 LYS H 1.0 1.850 3.956 228 196 A 89 LEU HBx A 89 LEU HDx% 1.0 1.564 2.702 229 197 A 42 LEU HA A 42 LEU HBy 1.0 1.626 2.914 230 198 A 36 LEU H A 36 LEU HBx 1.0 1.738 3.366 231 199 A 76 ASP HBy A 76 ASP HA 1.0 1.724 3.302 232 200 A 76 ASP H A 76 ASP HA 1.0 1.597 2.811 233 201 A 9 GLY H A 9 GLY HAy 1.0 1.777 3.553 234 202 A 82 ILE HA A 82 ILE HG2% 1.0 1.549 2.653 235 203 A 83 ASN HBx A 82 ILE HG2% 1.0 1.677 3.105 236 204 A 44 GLN HBx A 82 ILE HG2% 1.0 1.627 2.919 237 205 A 82 ILE HG2% A 82 ILE HB 1.0 1.454 2.368 238 206 A 83 ASN H A 82 ILE HG2% 1.0 1.692 3.166 239 207 A 82 ILE H A 82 ILE HG2% 1.0 1.775 3.541 240 208 A 73 ASP H A 82 ILE HG2% 1.0 1.785 3.595 241 209 A 86 PRO HBy A 86 PRO HBx 1.0 1.406 2.234 242 210 A 86 PRO HGx A 86 PRO HBy 1.0 1.633 2.937 243 211 A 67 THR HG2% A 86 PRO HBy 1.0 1.663 3.053 244 212 A 69 THR HG2% A 86 PRO HBy 1.0 1.846 3.934 245 213 A 86 PRO HDx A 86 PRO HBy 1.0 1.852 3.970 246 214 A 87 ILE H A 86 PRO HBy 1.0 1.836 3.872 247 215 A 20 ASP HBy A 23 LYS HG2 1.0 1.862 4.034 248 216 A 20 ASP HBy A 20 ASP H 1.0 1.772 3.528 249 217 A 20 ASP HBx A 23 LYS HG2 1.0 1.874 4.120 250 218 A 68 PRO HGy A 67 THR HA 1.0 1.878 4.146 251 219 A 67 THR HA A 67 THR HB 1.0 1.786 3.598 252 220 A 68 PRO HDx A 67 THR HA 1.0 1.549 2.653 253 221 A 67 THR HG2% A 67 THR HA 1.0 1.615 2.873 254 222 A 67 THR HA A 67 THR H 1.0 1.819 3.773 255 223 A 24 LYS HA A 24 LYS HGx 1.0 1.872 4.108 256 224 A 24 LYS HA A 24 LYS HBx 1.0 1.690 3.160 257 225 A 24 LYS HA A 24 LYS HGy 1.0 1.847 3.939 258 226 A 47 ILE HG2% A 24 LYS HA 1.0 1.652 3.012 259 227 A 24 LYS HA A 25 VAL H 1.0 1.569 2.719 260 228 A 47 ILE HA A 24 LYS HA 1.0 1.694 3.176 261 229 A 24 LYS HA A 24 LYS H 1.0 1.805 3.699 262 230 A 51 GLN HBy A 51 GLN HA 1.0 1.561 2.689 263 231 A 51 GLN H A 51 GLN HA 1.0 1.760 3.470 264 232 A 51 GLN HA A 52 ILE H 1.0 1.484 2.452 265 233 A 85 THR HB A 85 THR HG2% 1.0 1.576 2.738 266 234 A 85 THR HB A 85 THR H 1.0 1.774 3.536 267 235 A 15 LYS HDx A 15 LYS HEx 1.0 1.645 2.985 268 236 A 15 LYS HGy A 15 LYS HEx 1.0 1.519 2.557 269 237 A 74 VAL HGy% A 15 LYS HEx 1.0 1.836 3.876 270 238 A 73 ASP HA A 15 LYS HEy 1.0 1.758 3.456 271 239 A 11 CYS HBx A 16 LEU HDx% 1.0 1.780 3.564 272 240 A 86 PRO HGy A 86 PRO HDy 1.0 1.531 2.597 273 241 A 68 PRO HBx A 68 PRO HDy 1.0 1.718 3.276 274 242 A 86 PRO HGx A 86 PRO HDy 1.0 1.628 2.922 275 243 A 68 PRO HGy A 68 PRO HDy 1.0 1.707 3.231 276 244 A 67 THR HG2% A 68 PRO HDy 1.0 1.647 2.995 277 245 A 85 THR HA A 86 PRO HDy 1.0 1.465 2.395 278 246 A 68 PRO HDy A 68 PRO HA 1.0 1.866 4.062 279 247 A 52 ILE HA A 52 ILE HG2% 1.0 1.667 3.067 280 248 A 27 LYS HBy A 27 LYS HA 1.0 1.615 2.877 281 249 A 27 LYS HGy A 27 LYS HA 1.0 2.188 3.652 282 250 A 79 LEU HA A 49 CYS HBy 1.0 1.862 4.038 283 251 A 79 LEU HA A 79 LEU HBy 1.0 1.572 2.730 284 252 A 27 LYS HA A 28 SER H 1.0 1.763 3.481 285 253 A 79 LEU HA A 49 CYS H 1.0 1.835 3.867 286 254 A 79 LEU HA A 80 VAL H 1.0 1.845 3.927 287 255 A 77 ASP HA A 77 ASP HBx 1.0 1.615 2.877 288 256 A 77 ASP HBy A 77 ASP HA 1.0 1.669 3.079 289 257 A 54 LEU HA A 54 LEU HDy% 1.0 2.868 4.014 290 258 A 54 LEU HA A 55 LEU H 1.0 1.673 3.093 291 259 A 88 PRO HA A 88 PRO HGy 1.0 1.776 3.550 292 260 A 81 GLY HAx A 74 VAL HGy% 1.0 1.785 3.595 293 261 A 81 GLY HAx A 81 GLY HAy 1.0 1.448 2.348 294 262 A 81 GLY HAx A 74 VAL HA 1.0 1.849 3.953 295 263 A 47 ILE HG2% A 46 ALA HA 1.0 1.881 4.167 296 264 A 47 ILE H A 46 ALA HA 1.0 1.752 3.430 297 265 A 74 VAL HGy% A 74 VAL HB 1.0 1.599 2.817 298 266 A 78 GLY HAx A 74 VAL HB 1.0 1.825 3.807 299 267 A 74 VAL HB A 74 VAL H 1.0 1.830 3.840 300 268 A 74 VAL HB A 75 GLU H 1.0 1.812 3.736 301 269 A 74 VAL HA A 74 VAL HB 1.0 1.749 3.417 302 270 A 10 SER HB2 A 87 ILE HG2% 1.0 1.722 3.296 303 271 A 87 ILE HG2% A 70 CYS HBx 1.0 1.730 3.332 304 272 A 87 ILE HB A 87 ILE HG2% 1.0 1.496 2.488 305 273 A 69 THR HB A 84 CYS HBx 1.0 1.710 3.244 306 274 A 69 THR HB A 69 THR HG2% 1.0 1.677 3.107 307 275 A 69 THR HB A 70 CYS H 1.0 1.734 3.352 308 276 A 58 ILE HG2% A 62 ASP HB2 1.0 1.799 3.663 309 277 A 58 ILE HG2% A 63 GLU HGy 1.0 1.763 3.483 310 278 A 58 ILE HB A 58 ILE HG2% 1.0 1.501 2.503 311 279 A 59 ALA HB% A 58 ILE HG2% 1.0 1.710 3.242 312 280 A 58 ILE HG1y A 58 ILE HG2% 1.0 1.671 3.085 313 281 A 58 ILE HG2% A 59 ALA H 1.0 1.738 3.366 314 282 A 8 THR HA A 9 GLY H 1.0 1.852 3.974 315 283 A 23 LYS H A 22 ASN HA 1.0 1.811 3.731 316 284 A 22 ASN HA A 22 ASN H 1.0 1.716 3.272 317 285 A 89 LEU HDy% A 89 LEU HG 1.0 1.491 2.473 318 286 A 82 ILE HG2% A 73 ASP HBx 1.0 1.870 4.092 319 287 A 73 ASP HA A 73 ASP HBx 1.0 1.788 3.608 320 288 A 74 VAL H A 73 ASP HBx 1.0 1.864 4.050 321 289 A 58 ILE HB A 59 ALA H 1.0 1.855 3.989 322 290 A 58 ILE HB A 58 ILE H 1.0 1.730 3.328 323 291 A 47 ILE HD1% A 19 CYS HBx 1.0 1.727 3.319 324 292 A 69 THR HG2% A 19 CYS HBx 1.0 1.796 3.650 325 293 A 74 VAL HA A 74 VAL HGx% 1.0 1.709 3.239 326 294 A 74 VAL HA A 75 GLU H 1.0 1.700 3.202 327 295 A 82 ILE HG2% A 82 ILE HG1x 1.0 1.638 2.956 328 296 A 82 ILE HB A 82 ILE HG1x 1.0 1.727 3.317 329 297 A 89 LEU HA A 89 LEU H 1.0 1.667 3.071 330 298 A 36 LEU HA A 36 LEU HBx 1.0 1.535 2.605 331 299 A 36 LEU HA A 36 LEU HDx% 1.0 1.530 2.592 332 300 A 18 CYS HA A 18 CYS HBy 1.0 1.795 3.641 333 301 A 29 THR HG2% A 29 THR HA 1.0 1.630 2.932 334 302 A 46 ALA HB% A 47 ILE H 1.0 1.793 3.633 335 303 A 46 ALA HB% A 25 VAL H 1.0 1.841 3.903 336 304 A 46 ALA HB% A 46 ALA HA 1.0 1.689 3.155 337 305 A 46 ALA HB% A 46 ALA H 1.0 1.697 3.191 338 306 A 13 THR HB A 13 THR HG2% 1.0 1.577 2.743 339 307 A 23 LYS HA A 23 LYS HBy 1.0 1.646 2.988 340 308 A 23 LYS HA A 23 LYS HBx 1.0 1.654 3.018 341 309 A 23 LYS HA A 23 LYS HG2 1.0 1.675 3.099 342 310 A 23 LYS HA A 24 LYS H 1.0 1.489 2.467 343 311 A 23 LYS HA A 23 LYS H 1.0 1.769 3.511 344 312 A 73 ASP HA A 73 ASP HBy 1.0 1.720 3.286 345 313 A 67 THR HG2% A 67 THR HB 1.0 1.662 3.048 346 314 A 69 THR HG2% A 69 THR HA 1.0 1.652 3.012 347 315 A 69 THR HB A 69 THR HA 1.0 1.668 3.072 348 316 A 87 ILE HG1y A 69 THR HA 1.0 1.847 3.937 349 317 A 69 THR H A 69 THR HA 1.0 1.850 3.958 350 318 A 69 THR HA A 70 CYS H 1.0 1.636 2.954 351 319 A 87 ILE H A 69 THR HA 1.0 1.741 3.379 352 320 A 23 LYS HG2 A 23 LYS HBy 1.0 1.654 3.020 353 321 A 20 ASP HBy A 23 LYS HBy 1.0 1.777 3.551 354 322 A 23 LYS H A 23 LYS HBy 1.0 1.796 3.652 355 323 A 16 LEU HBy A 16 LEU HBx 1.0 1.597 2.811 356 324 A 16 LEU HDx% A 16 LEU HBx 1.0 1.674 3.098 357 325 A 4 TRP HBx A 16 LEU HBx 1.0 1.875 4.129 358 326 A 67 THR H A 66 ASN HBy 1.0 1.684 3.136 359 327 A 68 PRO HBx A 68 PRO HA 1.0 1.783 3.583 360 328 A 69 THR H A 68 PRO HA 1.0 1.699 3.199 361 329 A 51 GLN HBy A 51 GLN H 1.0 1.665 3.059 362 330 A 47 ILE HG2% A 24 LYS HBy 1.0 1.847 3.939 363 331 A 24 LYS HA A 24 LYS HBy 1.0 1.780 3.566 364 332 A 41 VAL HB A 41 VAL HA 1.0 1.664 3.060 365 333 A 41 VAL HGx% A 41 VAL HA 1.0 1.541 2.627 366 334 A 90 ILE HB A 90 ILE HA 1.0 1.724 3.306 367 335 A 90 ILE H A 90 ILE HA 1.0 1.784 3.590 368 336 A 42 LEU H A 41 VAL HA 1.0 1.486 2.460 369 337 A 41 VAL HA A 41 VAL H 1.0 1.754 3.440 370 338 A 69 THR HG2% A 19 CYS HBy 1.0 1.798 3.658 371 339 A 47 ILE HG1y A 19 CYS HBy 1.0 1.816 3.758 372 340 A 47 ILE HD1% A 19 CYS HBy 1.0 1.667 3.067 373 341 A 40 ASP HBx A 40 ASP H 1.0 1.785 3.593 374 342 A 81 GLY HAy A 74 VAL HGy% 1.0 1.732 3.336 375 343 A 81 GLY HAy A 74 VAL HA 1.0 1.736 3.360 376 344 A 52 ILE HA A 52 ILE HD1% 1.0 1.813 3.743 377 345 A 52 ILE HD1% A 52 ILE HB 1.0 1.664 3.058 378 346 A 52 ILE HD1% A 52 ILE HG1y 1.0 1.555 2.673 379 347 A 22 ASN HA A 22 ASN HBy 1.0 1.655 3.023 380 348 A 76 ASP HBx A 76 ASP HA 1.0 1.735 3.351 381 349 A 23 LYS H A 22 ASN HBy 1.0 1.832 3.846 382 350 A 22 ASN HBy A 22 ASN HD22 1.0 1.775 3.545 383 351 A 56 ILE HG1y A 56 ILE HA 1.0 1.815 3.751 384 352 A 56 ILE HG1x A 56 ILE HA 1.0 1.782 3.574 385 353 A 56 ILE HA A 57 GLY H 1.0 1.542 2.630 386 354 A 56 ILE HA A 56 ILE H 1.0 1.729 3.323 387 355 A 69 THR HG2% A 86 PRO HDy 1.0 1.872 4.106 388 356 A 47 ILE HD1% A 21 THR HA 1.0 1.613 2.869 389 357 A 47 ILE HB A 21 THR HA 1.0 1.869 4.083 390 358 A 21 THR HA A 21 THR HG2% 1.0 1.632 2.938 391 359 A 21 THR HA A 22 ASN H 1.0 1.856 3.998 392 360 A 83 ASN HBx A 72 GLU HGx 1.0 1.802 3.678 393 361 A 83 ASN HBx A 83 ASN HA 1.0 1.772 3.526 394 362 A 83 ASN HD22 A 83 ASN HBx 1.0 1.841 3.901 395 363 A 66 ASN HBy A 66 ASN HBx 1.0 1.519 2.559 396 364 A 67 THR H A 66 ASN HBx 1.0 1.616 2.878 397 365 A 51 GLN HG2 A 51 GLN HBy 1.0 2.016 3.048 398 366 A 51 GLN HG2 A 51 GLN HA 1.0 1.649 3.001 399 367 A 51 GLN HE21 A 51 GLN HG2 1.0 1.789 3.617 400 368 A 51 GLN HG2 A 51 GLN HE22 1.0 1.691 3.165 401 369 A 51 GLN HG2 A 52 ILE H 1.0 1.823 3.793 402 370 A 16 LEU HDx% A 16 LEU HA 1.0 1.552 2.660 403 371 A 16 LEU HA A 16 LEU HG 1.0 1.763 3.481 404 372 A 16 LEU HBy A 16 LEU HA 1.0 1.711 3.245 405 373 A 16 LEU HBx A 16 LEU HA 1.0 1.718 3.276 406 374 A 17 ALA H A 16 LEU HA 1.0 1.597 2.813 407 375 A 16 LEU H A 16 LEU HA 1.0 1.814 3.746 408 376 A 16 LEU HA A 70 CYS HA 1.0 1.724 3.306 409 377 A 82 ILE HB A 82 ILE HG1y 1.0 1.736 3.358 410 378 A 82 ILE HB A 73 ASP HBx 1.0 1.758 3.460 411 379 A 82 ILE HB A 73 ASP HBy 1.0 1.828 3.824 412 380 A 82 ILE H A 82 ILE HB 1.0 1.723 3.299 413 381 A 73 ASP H A 82 ILE HB 1.0 1.778 3.558 414 382 A 19 CYS HBy A 19 CYS HA 1.0 1.742 3.386 415 383 A 19 CYS HBx A 19 CYS HA 1.0 1.843 3.919 416 384 A 19 CYS HA A 49 CYS HBx 1.0 1.859 4.017 417 385 A 20 ASP H A 19 CYS HA 1.0 1.668 3.074 418 386 A 19 CYS H A 19 CYS HA 1.0 1.778 3.558 419 387 A 80 VAL HGx% A 80 VAL HB 1.0 1.596 2.806 420 388 A 80 VAL HB A 80 VAL HGy% 1.0 1.580 2.754 421 389 A 75 GLU HBy A 80 VAL HB 1.0 1.798 3.662 422 390 A 71 CYS HBx A 15 LYS HBx 1.0 1.863 4.045 423 391 A 80 VAL H A 80 VAL HB 1.0 1.770 3.516 424 392 A 63 GLU HBx A 63 GLU HA 1.0 1.722 3.296 425 393 A 63 GLU HBy A 63 GLU HA 1.0 1.737 3.361 426 394 A 63 GLU HA A 63 GLU HGx 1.0 1.817 3.763 427 395 A 63 GLU H A 63 GLU HA 1.0 1.832 3.850 428 396 A 55 LEU HB2 A 55 LEU HA 1.0 1.503 2.509 429 397 A 55 LEU HA A 56 ILE H 1.0 1.533 2.599 430 398 A 55 LEU HA A 55 LEU H 1.0 1.764 3.488 431 399 A 68 PRO HDx A 68 PRO HGx 1.0 1.668 3.072 432 400 A 68 PRO HDx A 68 PRO HGy 1.0 1.678 3.112 433 401 A 68 PRO HDx A 67 THR HG2% 1.0 1.727 3.321 434 402 A 79 LEU HG A 79 LEU HDy% 1.0 1.621 2.895 435 403 A 89 LEU HA A 89 LEU HG 1.0 1.815 3.751 436 404 A 79 LEU H A 79 LEU HG 1.0 1.787 3.601 437 405 A 89 LEU H A 89 LEU HG 1.0 1.798 3.662 438 406 A 22 ASN HA A 22 ASN HBx 1.0 1.688 3.150 439 407 A 50 THR HG2% A 50 THR HB 1.0 1.622 2.900 440 408 A 50 THR H A 50 THR HB 1.0 1.875 4.129 441 409 A 51 GLN H A 50 THR HB 1.0 2.298 4.158 442 410 A 83 ASN HBy A 72 GLU HB2 1.0 1.640 2.966 443 411 A 83 ASN HBy A 82 ILE HG2% 1.0 1.817 3.763 444 412 A 83 ASN HBy A 83 ASN HD21 1.0 1.689 3.155 445 413 A 83 ASN HD22 A 83 ASN HBy 1.0 1.835 3.865 446 414 A 23 LYS HG2 A 23 LYS HBx 1.0 1.682 3.130 447 415 A 20 ASP HBy A 23 LYS HBx 1.0 1.733 3.345 448 416 A 66 ASN HBx A 66 ASN HA 1.0 1.633 2.939 449 417 A 66 ASN HBy A 66 ASN HA 1.0 1.743 3.387 450 418 A 67 THR H A 66 ASN HA 1.0 1.813 3.743 451 419 A 66 ASN HA A 66 ASN HD21 1.0 1.835 3.865 452 420 A 66 ASN HA A 66 ASN H 1.0 1.779 3.563 453 421 A 55 LEU HB2 A 55 LEU H 1.0 1.783 3.583 454 422 A 25 VAL HGx% A 25 VAL HB 1.0 1.555 2.673 455 423 A 49 CYS HBy A 49 CYS HA 1.0 1.844 3.920 456 424 A 49 CYS HBx A 49 CYS HA 1.0 1.758 3.462 457 425 A 19 CYS HBy A 49 CYS HA 1.0 1.850 3.960 458 426 A 50 THR H A 49 CYS HA 1.0 1.650 3.004 459 427 A 20 ASP H A 49 CYS HA 1.0 1.788 3.606 460 428 A 63 GLU H A 63 GLU HBx 1.0 1.852 3.970 461 429 A 51 GLN HE21 A 63 GLU HBx 1.0 1.868 4.076 462 430 A 2 SER HB2 A 2 SER HA 1.0 1.505 2.517 463 431 A 2 SER HA A 3 GLY H 1.0 1.871 4.095 464 432 A 43 ASP HA A 43 ASP HBx 1.0 1.688 3.150 465 433 A 53 PRO HBx A 53 PRO HDy 1.0 1.879 4.151 466 434 A 53 PRO HBx A 54 LEU H 1.0 1.879 4.157 467 435 A 56 ILE HG1y A 56 ILE H 1.0 1.821 3.785 468 436 A 47 ILE HG2% A 24 LYS HGx 1.0 2.319 4.273 469 437 A 82 ILE HG2% A 72 GLU HGy 1.0 1.875 4.127 470 438 A 72 GLU HGx A 72 GLU HGy 1.0 1.431 2.301 471 439 A 26 GLN HBx A 26 GLN H 1.0 1.756 3.450 472 440 A 67 THR HG2% A 86 PRO HBx 1.0 1.798 3.658 473 441 A 86 PRO HDy A 86 PRO HBx 1.0 1.823 3.795 474 442 A 61 GLU HA A 61 GLU HBy 1.0 1.785 3.591 475 443 A 61 GLU HBy A 61 GLU H 1.0 1.873 4.109 476 444 A 82 ILE HG2% A 82 ILE HG1y 1.0 1.618 2.886 477 445 A 82 ILE H A 82 ILE HG1y 1.0 1.872 4.106 478 446 A 45 VAL HGx% A 45 VAL HB 1.0 1.554 2.670 479 447 A 45 VAL HA A 45 VAL HGx% 1.0 1.631 2.935 480 448 A 86 PRO HGx A 67 THR HG2% 1.0 1.806 3.702 481 449 A 40 ASP HBx A 40 ASP HA 1.0 1.618 2.884 482 450 A 40 ASP HA A 40 ASP HBy 1.0 1.656 3.026 483 451 A 40 ASP H A 40 ASP HA 1.0 1.825 3.809 484 452 A 76 ASP HBx A 79 LEU HDx% 1.0 1.762 3.478 485 453 A 79 LEU HBx A 79 LEU HDx% 1.0 1.563 2.697 486 454 A 79 LEU HG A 79 LEU HDx% 1.0 1.427 2.293 487 455 A 54 LEU H A 54 LEU HDx% 1.0 1.853 3.975 488 456 A 72 GLU HGx A 72 GLU HA 1.0 1.782 3.574 489 457 A 72 GLU HGy A 72 GLU HA 1.0 1.712 3.254 490 458 A 72 GLU H A 72 GLU HA 1.0 1.765 3.497 491 459 A 73 ASP H A 72 GLU HA 1.0 1.872 4.102 492 460 A 59 ALA HB% A 62 ASP HB2 1.0 1.779 3.563 493 461 A 62 ASP HB2 A 62 ASP HA 1.0 1.677 3.109 494 462 A 63 GLU H A 62 ASP HB2 1.0 1.816 3.758 495 463 A 62 ASP HB2 A 62 ASP H 1.0 1.720 3.288 496 464 A 65 LYS HGy A 65 LYS HA 1.0 1.864 4.052 497 465 A 65 LYS HBy A 65 LYS HGy 1.0 1.732 3.338 498 466 A 65 LYS HGy A 65 LYS HE2 1.0 1.861 4.031 499 467 A 26 GLN HBy A 26 GLN HGy 1.0 1.580 2.754 500 468 A 26 GLN HA A 26 GLN HGy 1.0 2.200 3.704 501 469 A 26 GLN H A 26 GLN HGy 1.0 1.780 3.568 502 470 A 26 GLN HGy A 26 GLN HE21 1.0 1.819 3.777 503 471 A 60 ILE HG2% A 61 GLU HBx 1.0 1.867 4.071 504 472 A 61 GLU HBx A 61 GLU HGy 1.0 1.708 3.236 505 473 A 87 ILE HB A 87 ILE HA 1.0 1.642 2.972 506 474 A 87 ILE HG1y A 87 ILE HA 1.0 1.812 3.734 507 475 A 87 ILE HG2% A 87 ILE HA 1.0 1.553 2.665 508 476 A 87 ILE H A 87 ILE HA 1.0 1.789 3.613 509 477 A 52 ILE HG1y A 52 ILE HG1x 1.0 1.462 2.390 510 478 A 52 ILE HA A 52 ILE HG1x 1.0 1.881 4.165 511 479 A 24 LYS HBx A 24 LYS HGy 1.0 1.713 3.255 512 480 A 43 ASP HA A 43 ASP HBy 1.0 1.558 2.680 513 481 A 82 ILE HG2% A 72 GLU HB2 1.0 1.797 3.653 514 482 A 72 GLU HGx A 72 GLU HB2 1.0 1.636 2.954 515 483 A 83 ASN HBx A 72 GLU HB2 1.0 1.617 2.881 516 484 A 72 GLU H A 72 GLU HB2 1.0 1.637 2.953 517 485 A 73 ASP H A 72 GLU HB2 1.0 1.744 3.390 518 486 A 72 GLU HB2 A 83 ASN HD21 1.0 1.815 3.749 519 487 A 54 LEU HG A 54 LEU HA 1.0 1.816 3.758 520 488 A 44 GLN H A 44 GLN HGy 1.0 1.873 4.109 521 489 A 28 SER HBy A 28 SER HA 1.0 1.531 2.593 522 490 A 44 GLN HA A 44 GLN HGy 1.0 1.726 3.310 523 491 A 45 VAL HGx% A 44 GLN HA 1.0 1.810 3.720 524 492 A 44 GLN HA A 83 ASN HD21 1.0 1.854 3.988 525 493 A 44 GLN HA A 45 VAL H 1.0 1.503 2.509 526 494 A 44 GLN HA A 83 ASN HD22 1.0 1.727 3.321 527 495 A 88 PRO HA A 88 PRO HBy 1.0 1.531 2.593 528 496 A 88 PRO HBx A 88 PRO HA 1.0 1.616 2.876 529 497 A 88 PRO HA A 89 LEU HG 1.0 1.839 3.895 530 498 A 89 LEU H A 88 PRO HA 1.0 1.426 2.288 531 499 A 88 PRO HDx A 88 PRO HGy 1.0 1.641 2.969 532 500 A 88 PRO HDx A 88 PRO HGx 1.0 1.623 2.903 533 501 A 88 PRO HDx A 87 ILE HG2% 1.0 1.666 3.062 534 502 A 88 PRO HDx A 87 ILE HA 1.0 1.534 2.606 535 503 A 59 ALA HB% A 61 GLU HGy 1.0 1.870 4.094 536 504 A 59 ALA HB% A 59 ALA H 1.0 1.624 2.908 537 505 A 59 ALA HB% A 62 ASP H 1.0 1.833 3.857 538 506 A 60 ILE HG2% A 60 ILE HA 1.0 1.702 3.208 539 507 A 60 ILE HG2% A 61 GLU HGx 1.0 1.811 3.733 540 508 A 4 TRP HBy A 60 ILE HG2% 1.0 1.865 4.063 541 509 A 60 ILE HG2% A 61 GLU HBy 1.0 1.708 3.234 542 510 A 60 ILE HG2% A 61 GLU H 1.0 1.732 3.342 543 511 A 60 ILE HG2% A 60 ILE H 1.0 1.754 3.442 544 512 A 41 VAL HGx% A 41 VAL HB 1.0 1.614 2.872 545 513 A 47 ILE HB A 47 ILE HA 1.0 1.724 3.306 546 514 A 47 ILE HD1% A 47 ILE HG1x 1.0 1.694 3.178 547 515 A 87 ILE HB A 88 PRO HDy 1.0 1.757 3.453 548 516 A 88 PRO HDy A 87 ILE HG2% 1.0 1.754 3.440 549 517 A 88 PRO HDy A 88 PRO HGy 1.0 1.686 3.144 550 518 A 88 PRO HDy A 88 PRO HGx 1.0 1.605 2.839 551 519 A 54 LEU HG A 54 LEU H 1.0 1.843 3.917 552 520 A 60 ILE HD1% A 60 ILE HB 1.0 1.841 3.901 553 521 A 4 TRP HBy A 60 ILE HB 1.0 1.813 3.745 554 522 A 60 ILE HB A 60 ILE H 1.0 1.828 3.826 555 523 A 60 ILE HB A 4 TRP HE3 1.0 1.874 4.118 556 524 A 44 GLN HBy A 44 GLN HGx 1.0 1.613 2.869 557 525 A 44 GLN HA A 44 GLN HGx 1.0 1.772 3.528 558 526 A 44 GLN HE21 A 44 GLN HGx 1.0 1.816 3.760 559 527 A 58 ILE HG1x A 58 ILE HB 1.0 1.724 3.306 560 528 A 58 ILE HG1x A 58 ILE H 1.0 1.805 3.699 561 529 A 44 GLN HBx A 44 GLN HA 1.0 1.753 3.435 562 530 A 44 GLN HBx A 44 GLN H 1.0 1.792 3.630 563 531 A 79 LEU HA A 79 LEU HBx 1.0 1.803 3.685 564 532 A 79 LEU H A 79 LEU HBx 1.0 1.781 3.575 565 533 A 63 GLU HBy A 63 GLU HGx 1.0 1.661 3.047 566 534 A 58 ILE HG2% A 63 GLU HGx 1.0 1.810 3.720 567 535 A 7 LYS HB2 A 7 LYS HA 1.0 1.574 2.732 568 536 A 7 LYS HA A 7 LYS HD2 1.0 1.837 3.879 569 537 A 7 LYS HA A 8 THR H 1.0 1.858 4.014 570 538 A 60 ILE HG2% A 59 ALA HA 1.0 1.836 3.874 571 539 A 59 ALA HB% A 59 ALA HA 1.0 1.531 2.597 572 540 A 59 ALA HA A 5 GLU HBy 1.0 1.799 3.663 573 541 A 60 ILE H A 59 ALA HA 1.0 1.661 3.043 574 542 A 59 ALA H A 59 ALA HA 1.0 1.798 3.658 575 543 A 25 VAL HA A 25 VAL H 1.0 1.720 3.288 576 544 A 56 ILE HB A 56 ILE HG2% 1.0 1.494 2.484 577 545 A 56 ILE HG2% A 57 GLY HAx 1.0 1.758 3.456 578 546 A 57 GLY H A 56 ILE HG2% 1.0 1.738 3.364 579 547 A 37 HIS HA A 37 HIS HBx 1.0 1.792 3.626 580 548 A 31 GLU HA A 31 GLU HBx 1.0 1.605 2.841 581 549 A 31 GLU HA A 31 GLU HGy 1.0 1.659 3.035 582 550 A 32 GLU HBy A 32 GLU HA 1.0 1.660 3.040 583 551 A 56 ILE HG1x A 56 ILE HG2% 1.0 1.573 2.729 584 552 A 56 ILE HG1x A 56 ILE H 1.0 1.781 3.571 585 553 A 56 ILE HB A 56 ILE HG1y 1.0 1.733 3.345 586 554 A 56 ILE HB A 56 ILE HG1x 1.0 1.747 3.409 587 555 A 56 ILE HB A 56 ILE HA 1.0 1.703 3.213 588 556 A 56 ILE HB A 56 ILE H 1.0 1.679 3.117 589 557 A 27 LYS HGy A 27 LYS HBx 1.0 1.654 3.018 590 558 A 27 LYS HA A 27 LYS HBx 1.0 1.752 3.430 591 559 A 9 GLY H A 9 GLY HAx 1.0 1.762 3.478 592 560 A 82 ILE HG1y A 82 ILE HD1% 1.0 1.560 2.686 593 561 A 82 ILE HG1x A 82 ILE HD1% 1.0 1.643 2.979 594 562 A 82 ILE HB A 82 ILE HD1% 1.0 1.707 3.231 595 563 A 73 ASP HBx A 82 ILE HD1% 1.0 1.868 4.076 596 564 A 46 ALA HA A 82 ILE HD1% 1.0 1.836 3.872 597 565 A 48 GLN HGx A 48 GLN HA 1.0 1.699 3.197 598 566 A 48 GLN HA A 48 GLN HBy 1.0 1.661 3.047 599 567 A 48 GLN HBx A 48 GLN HA 1.0 1.670 3.080 600 568 A 80 VAL HGx% A 48 GLN HA 1.0 1.808 3.714 601 569 A 25 VAL HGy% A 48 GLN HA 1.0 1.685 3.141 602 570 A 49 CYS H A 48 GLN HA 1.0 1.483 2.451 603 571 A 48 GLN H A 48 GLN HA 1.0 1.765 3.495 604 572 A 10 SER HB2 A 10 SER HA 1.0 1.958 3.080 605 573 A 87 ILE HG2% A 10 SER HA 1.0 1.840 3.902 606 574 A 10 SER HA A 11 CYS H 1.0 1.747 3.407 607 575 A 50 THR HA A 79 LEU HDy% 1.0 1.700 3.198 608 576 A 79 LEU HA A 79 LEU HDy% 1.0 1.521 2.563 609 577 A 79 LEU HBy A 79 LEU HDy% 1.0 1.484 2.452 610 578 A 44 GLN HBy A 82 ILE HG2% 1.0 1.742 3.382 611 579 A 44 GLN HBy A 82 ILE HG1y 1.0 1.826 3.814 612 580 A 44 GLN HA A 44 GLN HBy 1.0 1.678 3.112 613 581 A 44 GLN HBy A 45 VAL H 1.0 1.807 3.707 614 582 A 20 ASP HBx A 23 LYS HBy 1.0 1.880 4.160 615 583 A 20 ASP HBx A 23 LYS HBx 1.0 1.865 4.053 616 584 A 20 ASP HBy A 20 ASP HBx 1.0 1.444 2.338 617 585 A 20 ASP HBx A 20 ASP H 1.0 1.792 3.632 618 586 A 17 ALA HB% A 49 CYS HBx 1.0 1.745 3.395 619 587 A 17 ALA HB% A 18 CYS H 1.0 1.738 3.366 620 588 A 58 ILE H A 57 GLY HAy 1.0 1.796 3.650 621 589 A 31 GLU HA A 31 GLU HBy 1.0 1.788 3.606 622 590 A 49 CYS HBy A 49 CYS H 1.0 1.772 3.526 623 591 A 52 ILE HB A 52 ILE HG1y 1.0 1.741 3.379 624 592 A 52 ILE HB A 52 ILE HG1x 1.0 1.815 3.755 625 593 A 52 ILE HG2% A 52 ILE HB 1.0 1.605 2.841 626 594 A 52 ILE HB A 53 PRO HDy 1.0 1.851 3.965 627 595 A 52 ILE HA A 52 ILE HB 1.0 1.795 3.647 628 596 A 52 ILE H A 52 ILE HB 1.0 1.728 3.322 629 597 A 42 LEU HBx A 42 LEU HDx% 1.0 1.525 2.575 630 598 A 42 LEU HA A 42 LEU HBx 1.0 1.660 3.042 631 599 A 54 LEU HA A 54 LEU HBy 1.0 1.669 3.075 632 600 A 25 VAL HGy% A 48 GLN HBy 1.0 1.845 3.927 633 601 A 23 LYS HBx A 48 GLN HBy 1.0 1.807 3.711 634 602 A 23 LYS HE2 A 48 GLN HBy 1.0 1.868 4.072 635 603 A 48 GLN H A 48 GLN HBy 1.0 1.743 3.391 636 604 A 58 ILE HB A 58 ILE HG1y 1.0 1.668 3.072 637 605 A 27 LYS HD2 A 27 LYS HA 1.0 2.153 3.835 638 606 A 17 ALA HA A 18 CYS H 1.0 1.741 3.377 639 607 A 4 TRP HBy A 16 LEU HDx% 1.0 1.683 3.133 640 608 A 4 TRP HBx A 16 LEU HDx% 1.0 1.819 3.771 641 609 A 11 CYS HBy A 16 LEU HDx% 1.0 1.747 3.405 642 610 A 16 LEU HDx% A 16 LEU HBy 1.0 1.629 2.925 643 611 A 82 ILE HA A 82 ILE HG1y 1.0 1.744 3.394 644 612 A 82 ILE HA A 82 ILE HG1x 1.0 1.795 3.641 645 613 A 82 ILE HA A 82 ILE HD1% 1.0 1.650 3.002 646 614 A 82 ILE HA A 82 ILE HB 1.0 1.775 3.541 647 615 A 82 ILE H A 82 ILE HA 1.0 1.791 3.627 648 616 A 83 ASN H A 82 ILE HA 1.0 1.513 2.539 649 617 A 82 ILE HA A 46 ALA HA 1.0 1.709 3.237 650 618 A 58 ILE H A 57 GLY HAx 1.0 1.772 3.526 651 619 A 57 GLY H A 57 GLY HAx 1.0 1.681 3.123 652 620 A 14 GLY HAx A 14 GLY HAy 1.0 1.495 2.483 653 621 A 15 LYS H A 14 GLY HAy 1.0 1.706 3.228 654 622 A 15 LYS HGy A 15 LYS HDx 1.0 1.662 3.048 655 623 A 15 LYS HDx A 73 ASP HA 1.0 1.814 3.744 656 624 A 50 THR H A 49 CYS HBx 1.0 1.754 3.442 657 625 A 16 LEU HDx% A 16 LEU HG 1.0 1.515 2.543 658 626 A 16 LEU H A 16 LEU HG 1.0 1.829 3.831 659 627 A 89 LEU HDx% A 89 LEU HBy 1.0 1.579 2.751 660 628 A 89 LEU H A 89 LEU HBy 1.0 1.574 2.736 661 629 A 21 THR HA A 21 THR HB 1.0 1.593 2.797 662 630 A 21 THR HG2% A 21 THR HB 1.0 1.507 2.519 663 631 A 47 ILE HG2% A 21 THR HB 1.0 1.825 3.813 664 632 A 47 ILE HD1% A 21 THR HB 1.0 1.846 3.936 665 633 A 70 CYS HA A 70 CYS HBy 1.0 1.773 3.531 666 634 A 70 CYS HBx A 70 CYS HA 1.0 1.748 3.416 667 635 A 16 LEU HDx% A 70 CYS HA 1.0 1.743 3.389 668 636 A 17 ALA H A 70 CYS HA 1.0 1.875 4.127 669 637 A 71 CYS H A 70 CYS HA 1.0 1.563 2.697 670 638 A 70 CYS H A 70 CYS HA 1.0 1.826 3.816 671 639 A 65 LYS HA A 65 LYS HBx 1.0 1.740 3.374 672 640 A 65 LYS HBy A 65 LYS HBx 1.0 1.406 2.234 673 641 A 86 PRO HDx A 86 PRO HGy 1.0 1.580 2.752 674 642 A 86 PRO HDx A 86 PRO HBx 1.0 1.697 3.187 675 643 A 86 PRO HDx A 85 THR HG2% 1.0 1.622 2.900 676 644 A 86 PRO HGx A 86 PRO HDx 1.0 1.687 3.147 677 645 A 25 VAL HA A 25 VAL HGy% 1.0 1.640 2.964 678 646 A 25 VAL HGy% A 25 VAL HB 1.0 1.528 2.586 679 647 A 25 VAL HGy% A 46 ALA HB% 1.0 1.619 2.889 680 648 A 25 VAL HGy% A 48 GLN H 1.0 1.836 3.870 681 649 A 27 LYS HGy A 26 GLN HBx 1.0 2.318 4.270 682 650 A 7 LYS HG2 A 7 LYS HB2 1.0 1.532 2.600 683 651 A 18 CYS HBx A 18 CYS HBy 1.0 1.567 2.709 684 652 A 18 CYS HA A 18 CYS HBx 1.0 1.819 3.775 685 653 A 18 CYS HBx A 66 ASN HD21 1.0 1.833 3.853 686 654 A 15 LYS HEx A 15 LYS HDy 1.0 1.751 3.427 687 655 A 74 VAL H A 15 LYS HDy 1.0 1.862 4.040 688 656 A 78 GLY HAx A 74 VAL HGx% 1.0 1.726 3.310 689 657 A 78 GLY HAx A 78 GLY H 1.0 1.817 3.765 690 658 A 52 ILE HB A 64 CYS HBy 1.0 1.799 3.665 691 659 A 88 PRO HBx A 88 PRO HBy 1.0 1.356 2.104 692 660 A 88 PRO HDy A 88 PRO HBy 1.0 1.809 3.719 693 661 A 89 LEU H A 88 PRO HBy 1.0 1.806 3.704 694 662 A 52 ILE HD1% A 64 CYS HBx 1.0 1.854 3.986 695 663 A 64 CYS HBx A 64 CYS HA 1.0 1.808 3.714 696 664 A 64 CYS HBx A 64 CYS H 1.0 1.757 3.455 697 665 A 52 ILE HA A 53 PRO HDy 1.0 1.715 3.263 698 666 A 52 ILE H A 52 ILE HA 1.0 1.874 4.122 699 667 A 52 ILE HA A 52 ILE HG1y 1.0 1.858 4.012 700 668 A 52 ILE H A 52 ILE HG1y 1.0 1.804 3.696 701 669 A 71 CYS HBy A 74 VAL HGy% 1.0 1.832 3.848 702 670 A 71 CYS HBy A 71 CYS H 1.0 1.862 4.034 703 671 A 71 CYS HBy A 73 ASP H 1.0 1.774 3.536 704 672 A 82 ILE H A 71 CYS HBy 1.0 1.836 3.872 705 673 A 71 CYS HBy A 72 GLU H 1.0 1.852 3.968 706 674 A 15 LYS H A 14 GLY HAx 1.0 1.798 3.660 707 675 A 63 GLU HBy A 63 GLU HGy 1.0 1.669 3.077 708 676 A 63 GLU HGy A 63 GLU HA 1.0 1.869 4.085 709 677 A 7 LYS HEy A 7 LYS HD2 1.0 1.648 2.994 710 678 A 7 LYS HEy A 7 LYS HG2 1.0 2.195 3.679 711 679 A 70 CYS HBx A 70 CYS HBy 1.0 1.569 2.719 712 680 A 84 CYS HBx A 84 CYS H 1.0 1.853 3.973 713 681 A 84 CYS HBx A 85 THR H 1.0 1.845 3.929 714 682 A 65 LYS HD2 A 65 LYS HA 1.0 1.608 2.850 715 683 A 65 LYS HGx A 65 LYS HA 1.0 1.719 3.285 716 684 A 65 LYS HBy A 65 LYS HA 1.0 1.594 2.802 717 685 A 66 ASN H A 65 LYS HA 1.0 1.826 3.816 718 686 A 61 GLU HA A 61 GLU HBx 1.0 1.708 3.238 719 687 A 65 LYS HGx A 65 LYS HE2 1.0 1.853 3.975 720 688 A 65 LYS HGx A 65 LYS HBy 1.0 1.734 3.352 721 689 A 85 THR HG2% A 86 PRO HDy 1.0 1.664 3.058 722 690 A 27 LYS HGy A 27 LYS HBy 1.0 1.660 3.042 723 691 A 25 VAL HA A 25 VAL HB 1.0 1.775 3.543 724 692 A 33 SER HA A 34 GLY H 1.0 1.785 3.595 725 693 A 78 GLY HAy A 74 VAL HGx% 1.0 1.815 3.751 726 694 A 78 GLY HAy A 78 GLY H 1.0 1.856 3.994 727 695 A 71 CYS HBy A 71 CYS HA 1.0 1.742 3.386 728 696 A 71 CYS HBx A 71 CYS HA 1.0 1.777 3.551 729 697 A 72 GLU HB2 A 71 CYS HA 1.0 1.880 4.160 730 698 A 84 CYS HBx A 71 CYS HA 1.0 1.836 3.868 731 699 A 71 CYS H A 71 CYS HA 1.0 1.845 3.927 732 700 A 72 GLU H A 71 CYS HA 1.0 1.587 2.777 733 701 A 11 CYS HBx A 11 CYS H 1.0 1.968 5.016 734 702 A 51 GLN HE21 A 63 GLU HGy 1.0 1.908 4.374 735 703 A 63 GLU HGy A 4 TRP HH2 1.0 1.917 4.457 736 704 A 63 GLU HGx A 4 TRP HH2 1.0 1.916 4.440 737 705 A 67 THR HA A 68 PRO HDy 1.0 1.593 2.797 738 706 A 84 CYS HA A 71 CYS HA 1.0 1.524 2.572 739 707 A 73 ASP HBx A 73 ASP HBy 1.0 1.469 2.409 740 708 A 11 CYS HBx A 70 CYS HBx 1.0 1.923 4.507 741 709 A 11 CYS HBy A 70 CYS HBx 1.0 1.899 4.309 742 710 A 11 CYS HBy A 70 CYS HBy 1.0 1.912 4.412 743 711 A 18 CYS HBy A 64 CYS HBx 1.0 1.936 4.634 744 712 A 18 CYS HBx A 64 CYS HBx 1.0 1.931 4.579 745 713 A 18 CYS HBy A 60 ILE HD1% 1.0 1.951 4.793 746 714 A 17 ALA HB% A 18 CYS HBy 1.0 1.957 4.865 747 715 A 18 CYS HBx A 50 THR HG2% 1.0 1.924 4.514 748 716 A 64 CYS HBy A 64 CYS HBx 1.0 1.515 2.545 749 717 A 18 CYS HBx A 64 CYS HBy 1.0 1.924 4.514 750 718 A 63 GLU HGx A 64 CYS HBx 1.0 1.870 4.092 751 719 A 52 ILE HB A 64 CYS HBx 1.0 1.898 4.298 752 720 A 19 CYS HBx A 19 CYS HBy 1.0 1.541 2.629 753 721 A 49 CYS HBy A 49 CYS HBx 1.0 1.512 2.536 754 722 A 79 LEU HA A 49 CYS HBx 1.0 1.921 4.491 755 723 A 49 CYS HBx A 48 GLN HA 1.0 2.446 5.244 756 724 A 49 CYS HBy A 48 GLN HA 1.0 2.965 5.981 757 725 A 81 GLY HAy A 71 CYS HBy 1.0 1.918 4.458 758 726 A 78 GLY HAy A 74 VAL HB 1.0 1.889 4.229 759 727 A 87 ILE H A 87 ILE HG2% 1.0 1.712 3.254 760 728 A 17 ALA HB% A 50 THR H 1.0 1.848 3.946 761 729 A 73 ASP H A 71 CYS HA 1.0 1.901 4.315 762 730 A 82 ILE HG2% A 83 ASN HD21 1.0 1.802 3.678 763 731 A 87 ILE HG2% A 70 CYS H 1.0 1.842 3.910 764 732 A 47 ILE HG1x A 19 CYS HBy 1.0 1.908 4.380 765 733 A 81 GLY H A 46 ALA HA 1.0 1.863 4.043 766 734 A 46 ALA H A 46 ALA HA 1.0 1.908 4.374 767 735 A 18 CYS HBy A 60 ILE HG1y 1.0 1.964 4.964 768 736 A 18 CYS HBx A 60 ILE HD1% 1.0 1.977 5.179 769 737 A 19 CYS H A 18 CYS HBx 1.0 1.935 4.625 770 738 A 45 VAL HB A 83 ASN H 1.0 1.894 4.264 771 739 A 45 VAL HB A 46 ALA H 1.0 1.912 4.412 772 740 A 83 ASN HA A 83 ASN HD21 1.0 1.945 4.727 773 741 A 82 ILE HB A 74 VAL HA 1.0 1.901 4.317 774 742 A 74 VAL HA A 74 VAL H 1.0 1.835 3.867 775 743 A 25 VAL HGy% A 48 GLN HGy 1.0 2.247 3.909 776 744 A 25 VAL HGy% A 48 GLN HGx 1.0 1.727 3.315 777 745 A 17 ALA HB% A 71 CYS HBx 1.0 1.908 4.374 778 746 A 15 LYS HBx A 15 LYS HBy 1.0 1.503 2.509 779 747 A 15 LYS HBx A 15 LYS HEx 1.0 1.930 4.574 780 748 A 15 LYS HBx A 16 LEU H 1.0 1.941 4.691 781 749 A 47 ILE HD1% A 21 THR HG2% 1.0 1.618 2.888 782 750 A 79 LEU HG A 76 ASP HBx 1.0 1.823 3.795 783 751 A 79 LEU HBx A 76 ASP HBx 1.0 1.826 3.814 784 752 A 44 GLN HA A 82 ILE HG2% 1.0 1.769 3.513 785 753 A 52 ILE HD1% A 64 CYS HBy 1.0 1.894 4.266 786 754 A 87 ILE HG2% A 70 CYS HBy 1.0 1.813 3.741 787 755 A 4 TRP HBy A 16 LEU HDy% 1.0 1.857 4.005 788 756 A 4 TRP HBx A 16 LEU HDy% 1.0 1.857 4.007 789 757 A 4 TRP HBx A 60 ILE HB 1.0 1.940 4.666 790 758 A 4 TRP HBy A 16 LEU HBx 1.0 1.934 4.618 791 759 A 4 TRP HBy A 4 TRP HBx 1.0 1.551 2.659 792 760 A 4 TRP HBy A 4 TRP HE3 1.0 1.935 4.619 793 761 A 4 TRP HBy A 4 TRP HD1 1.0 1.924 4.514 794 762 A 4 TRP HBx A 4 TRP HD1 1.0 1.895 4.273 795 763 A 47 ILE H A 47 ILE HA 1.0 1.948 4.768 796 764 A 37 HIS HBx A 37 HIS HD2 1.0 1.963 4.957 797 765 A 37 HIS HBy A 37 HIS HD2 1.0 1.957 4.873 798 766 A 61 GLU HA A 62 ASP H 1.0 1.942 4.700 799 767 A 66 ASN HA A 66 ASN HD22 1.0 1.914 4.422 800 768 A 78 GLY HAy A 79 LEU H 1.0 1.894 4.266 801 769 A 66 ASN HBy A 66 ASN HD21 1.0 1.906 4.358 802 770 A 18 CYS HBy A 66 ASN HD21 1.0 1.925 4.525 803 771 A 48 GLN HBx A 48 GLN HGy 1.0 1.669 3.079 804 772 A 48 GLN HGx A 48 GLN HBx 1.0 1.640 2.964 805 773 A 48 GLN HGx A 48 GLN HE22 1.0 1.841 3.905 806 774 A 48 GLN HGy A 48 GLN HE21 1.0 1.950 4.782 807 775 A 48 GLN HGx A 48 GLN HE21 1.0 1.869 4.087 808 776 A 48 GLN HGx A 48 GLN H 1.0 2.330 4.338 809 777 A 48 GLN HGx A 49 CYS H 1.0 1.867 4.073 810 778 A 63 GLU HBx A 4 TRP HH2 1.0 1.914 4.430 811 779 A 83 ASN HD22 A 72 GLU HB2 1.0 1.907 4.369 812 780 A 61 GLU HBy A 62 ASP H 1.0 1.941 4.683 813 781 A 90 ILE H A 90 ILE HG1y 1.0 1.947 4.751 814 782 A 5 GLU HBy A 5 GLU HA 1.0 1.816 3.760 815 783 A 5 GLU HBy A 5 GLU H 1.0 1.829 3.835 816 784 A 5 GLU HBy A 5 GLU HGy 1.0 2.027 3.081 817 785 A 5 GLU HA A 5 GLU HGy 1.0 2.198 3.692 818 786 A 5 GLU H A 5 GLU HGy 1.0 2.279 4.065 819 787 A 76 ASP H A 75 GLU HGy 1.0 1.922 4.490 820 788 A 75 GLU H A 75 GLU HGy 1.0 1.937 4.643 821 789 A 75 GLU H A 75 GLU HGx 1.0 1.933 4.611 822 790 A 76 ASP H A 75 GLU HGx 1.0 1.917 4.457 823 791 A 75 GLU HA A 75 GLU HGy 1.0 1.764 3.488 824 792 A 75 GLU HA A 75 GLU HGx 1.0 1.829 3.833 825 793 A 76 ASP HA A 78 GLY H 1.0 1.875 4.127 826 794 A 60 ILE HD1% A 60 ILE HG1y 1.0 1.908 4.378 827 795 A 60 ILE HA A 60 ILE H 1.0 1.907 4.373 828 796 A 17 ALA HA A 17 ALA H 1.0 1.914 4.422 829 797 A 50 THR HA A 50 THR HB 1.0 1.578 2.748 830 798 A 68 PRO HGy A 61 GLU HA 1.0 1.928 4.552 831 799 A 60 ILE HG2% A 61 GLU HA 1.0 1.891 4.239 832 800 A 22 ASN H A 22 ASN HBy 1.0 1.663 3.055 833 801 A 78 GLY HAx A 74 VAL HGy% 1.0 1.876 4.136 834 802 A 68 PRO HBy A 87 ILE HG1x 1.0 1.883 4.181 835 803 A 74 VAL HB A 74 VAL HGx% 1.0 1.636 2.954 836 804 A 42 LEU HG A 42 LEU HDx% 1.0 1.486 2.458 837 805 A 79 LEU HBx A 79 LEU HDy% 1.0 1.690 3.162 838 806 A 44 GLN HBx A 44 GLN HGy 1.0 1.652 3.012 839 807 A 76 ASP H A 76 ASP HBx 1.0 1.918 4.462 840 808 A 44 GLN HE21 A 82 ILE HG2% 1.0 1.876 4.130 841 809 A 80 VAL HGx% A 80 VAL HA 1.0 1.580 2.752 842 810 A 22 ASN HBy A 22 ASN HD21 1.0 1.876 4.136 843 811 A 47 ILE HG1x A 47 ILE H 1.0 1.831 3.845 844 812 A 68 PRO HBy A 68 PRO HA 1.0 1.872 4.104 845 813 A 44 GLN HGx A 44 GLN HE22 1.0 1.903 4.339 846 814 A 44 GLN HBy A 44 GLN HE21 1.0 1.948 4.756 847 815 A 48 GLN HBx A 48 GLN HBy 1.0 1.437 2.317 848 816 A 73 ASP HA A 74 VAL H 1.0 1.538 2.618 849 817 A 73 ASP HBy A 82 ILE HD1% 1.0 1.905 4.347 850 818 A 42 LEU HBx A 42 LEU H 1.0 1.729 3.325 851 819 A 74 VAL H A 82 ILE HD1% 1.0 1.919 4.467 852 820 A 83 ASN H A 82 ILE HD1% 1.0 1.907 4.369 853 821 A 17 ALA HB% A 49 CYS HBy 1.0 1.889 4.225 854 822 A 60 ILE HD1% A 68 PRO HA 1.0 1.918 4.462 855 823 A 4 TRP HA A 4 TRP HE3 1.0 2.210 3.746 856 824 A 73 ASP HBx A 82 ILE HG1y 1.0 1.923 4.507 857 825 A 11 CYS HBy A 11 CYS H 1.0 1.961 4.913 858 826 A 18 CYS HA A 60 ILE HD1% 1.0 1.931 4.585 859 827 A 52 ILE HB A 64 CYS HA 1.0 1.748 3.410 860 828 A 87 ILE HB A 10 SER HB2 1.0 1.884 4.190 861 829 A 24 LYS HBx A 25 VAL H 1.0 1.801 3.673 862 830 A 69 THR HG2% A 86 PRO HGx 1.0 1.872 4.104 863 831 A 90 ILE HA A 90 ILE HG1y 1.0 1.909 4.379 864 832 A 9 GLY HAy A 10 SER H 1.0 1.794 3.642 865 833 A 28 SER H A 28 SER HA 1.0 1.890 4.234 866 834 A 55 LEU HG A 55 LEU H 1.0 1.867 4.069 867 835 A 63 GLU HBy A 64 CYS H 1.0 1.898 4.294 868 836 A 23 LYS H A 22 ASN HBx 1.0 1.904 4.340 869 837 A 51 GLN HE21 A 63 GLU HGx 1.0 1.918 4.460 870 838 A 83 ASN HD21 A 44 GLN HGy 1.0 1.929 4.567 871 839 A 83 ASN HD22 A 44 GLN HGx 1.0 1.926 4.526 872 840 A 83 ASN HD22 A 44 GLN HGy 1.0 1.925 4.521 873 841 A 42 LEU HG A 42 LEU H 1.0 2.303 4.185 874 842 A 8 THR HA A 8 THR H 1.0 1.807 3.709 875 843 A 31 GLU HA A 31 GLU H 1.0 1.781 3.573 876 844 A 27 LYS HA A 27 LYS H 1.0 1.790 3.616 877 845 A 33 SER HA A 33 SER H 1.0 1.836 3.876 878 846 A 24 LYS H A 23 LYS HBy 1.0 1.893 4.261 879 847 A 17 ALA HB% A 71 CYS HBy 1.0 1.947 4.759 880 848 A 71 CYS HBy A 15 LYS HBx 1.0 1.912 4.410 881 849 A 56 ILE HA A 56 ILE HG2% 1.0 1.599 2.819 882 850 A 83 ASN HBy A 72 GLU H 1.0 1.893 4.257 883 851 A 35 LEU HG A 35 LEU H 1.0 1.886 4.200 884 852 A 47 ILE H A 47 ILE HG2% 1.0 1.800 3.670 885 853 A 10 SER HB2 A 11 CYS H 1.0 1.879 4.155 886 854 A 87 ILE HD1% A 87 ILE H 1.0 1.830 3.836 887 855 A 71 CYS H A 16 LEU HA 1.0 1.884 4.186 888 856 A 69 THR H A 16 LEU HA 1.0 1.929 4.561 889 857 A 8 THR HG2% A 10 SER HB2 1.0 1.934 4.608 890 858 A 83 ASN HBx A 83 ASN H 1.0 1.938 4.656 891 859 A 83 ASN HBy A 83 ASN H 1.0 1.918 4.460 892 860 A 60 ILE HD1% A 64 CYS HBx 1.0 1.938 4.652 893 861 A 59 ALA HB% A 61 GLU H 1.0 1.899 4.301 894 862 A 72 GLU H A 72 GLU HGy 1.0 1.902 4.330 895 863 A 49 CYS H A 48 GLN HBy 1.0 1.900 4.308 896 864 A 15 LYS HDx A 74 VAL H 1.0 1.916 4.444 897 865 A 55 LEU HDx% A 55 LEU HG 1.0 1.353 2.097 898 866 A 2 SER HB2 A 3 GLY H 1.0 1.941 4.689 899 867 A 69 THR HG2% A 69 THR H 1.0 1.753 3.433 900 868 A 68 PRO HBy A 69 THR H 1.0 1.908 4.376 901 869 A 48 GLN H A 24 LYS HA 1.0 1.901 4.321 902 870 A 61 GLU HA A 61 GLU HGy 1.0 1.906 4.358 903 871 A 33 SER H A 32 GLU HA 1.0 1.766 3.498 904 872 A 55 LEU HB2 A 58 ILE HB 1.0 1.861 4.029 905 873 A 74 VAL H A 73 ASP HBy 1.0 1.943 4.707 906 874 A 68 PRO HGy A 68 PRO HA 1.0 1.911 4.405 907 875 A 41 VAL HGy% A 38 THR HA 1.0 1.916 4.444 908 876 A 54 LEU HG A 54 LEU HDy% 1.0 1.526 2.580 909 877 A 47 ILE HG1x A 47 ILE HG2% 1.0 1.579 2.751 910 878 A 87 ILE H A 86 PRO HBx 1.0 1.891 4.245 911 879 A 19 CYS HBx A 21 THR HG2% 1.0 1.866 4.066 912 880 A 90 ILE HG2% A 89 LEU HBy 1.0 1.659 3.039 913 881 A 63 GLU H A 60 ILE HA 1.0 1.888 4.220 914 882 A 86 PRO HDx A 86 PRO HA 1.0 1.908 4.376 915 883 A 69 THR HB A 86 PRO HA 1.0 1.902 4.326 916 884 A 90 ILE HG1x A 90 ILE HB 1.0 1.842 3.912 917 885 A 69 THR HA A 87 ILE HG2% 1.0 1.788 3.608 918 886 A 74 VAL HA A 82 ILE HD1% 1.0 1.942 4.688 919 887 A 63 GLU HA A 64 CYS H 1.0 1.902 4.330 920 888 A 90 ILE HD1% A 88 PRO HGy 1.0 1.910 4.394 921 889 A 90 ILE HG1x A 88 PRO HGy 1.0 1.933 4.601 922 890 A 51 GLN HE22 A 51 GLN HA 1.0 1.941 4.681 923 891 A 87 ILE HG1x A 87 ILE HA 1.0 1.884 4.190 924 892 A 36 LEU HA A 36 LEU HDy% 1.0 2.219 3.781 925 893 A 77 ASP H A 76 ASP HA 1.0 1.619 2.891 926 894 A 72 GLU H A 82 ILE HG2% 1.0 1.838 3.882 927 895 A 41 VAL HGx% A 40 ASP HBy 1.0 1.900 4.312 928 896 A 71 CYS HBy A 84 CYS HA 1.0 1.897 4.281 929 897 A 15 LYS HEx A 74 VAL H 1.0 1.918 4.464 930 898 A 87 ILE HD1% A 70 CYS H 1.0 1.886 4.210 931 899 A 81 GLY HAx A 47 ILE HG1x 1.0 1.931 4.585 932 900 A 60 ILE HA A 64 CYS H 1.0 1.931 4.585 933 901 A 51 GLN HA A 52 ILE HG1x 1.0 1.862 4.038 934 902 A 19 CYS H A 69 THR HG2% 1.0 1.763 3.481 935 903 A 67 THR HG2% A 67 THR H 1.0 1.891 4.237 936 904 A 20 ASP HBy A 21 THR H 1.0 1.897 4.283 937 905 A 68 PRO HGy A 61 GLU HGy 1.0 1.938 4.648 938 906 A 86 PRO HA A 70 CYS H 1.0 1.898 4.294 939 907 A 59 ALA HA A 5 GLU H 1.0 1.883 4.183 940 908 A 20 ASP HA A 21 THR HG2% 1.0 1.892 4.256 941 909 A 78 GLY HAy A 80 VAL H 1.0 1.938 4.654 942 910 A 90 ILE H A 89 LEU HBy 1.0 1.902 4.330 943 911 A 59 ALA H A 62 ASP HB2 1.0 1.950 4.782 944 912 A 60 ILE HA A 64 CYS HBx 1.0 1.949 4.767 945 913 A 63 GLU HBy A 4 TRP HH2 1.0 1.935 4.623 946 914 A 89 LEU HA A 89 LEU HBx 1.0 1.567 2.711 947 915 A 73 ASP HA A 15 LYS HDy 1.0 1.684 3.134 948 916 A 47 ILE H A 82 ILE HA 1.0 1.921 4.489 949 917 A 47 ILE HD1% A 47 ILE HA 1.0 1.933 4.607 950 918 A 45 VAL H A 44 GLN HGy 1.0 1.928 4.548 951 919 A 12 ASN HA A 12 ASN HD22 1.0 1.954 4.828 952 920 A 12 ASN HA A 13 THR H 1.0 1.956 4.864 953 921 A 47 ILE HD1% A 19 CYS HA 1.0 1.925 4.531 954 922 A 50 THR HG2% A 19 CYS HA 1.0 1.935 4.627 955 923 A 50 THR HG2% A 49 CYS HA 1.0 1.914 4.426 956 924 A 69 THR HG2% A 19 CYS HA 1.0 1.923 4.509 957 925 A 60 ILE HA A 59 ALA HA 1.0 1.907 4.365 958 926 A 58 ILE HD1% A 58 ILE H 1.0 1.939 4.663 959 927 A 48 GLN H A 47 ILE HD1% 1.0 1.928 4.548 960 928 A 72 GLU HA A 71 CYS HA 1.0 1.952 4.814 961 929 A 88 PRO HDx A 87 ILE H 1.0 1.939 4.655 962 930 A 90 ILE H A 88 PRO HDy 1.0 1.910 4.388 963 931 A 90 ILE H A 88 PRO HA 1.0 1.892 4.250 964 932 A 33 SER HBy A 33 SER HA 1.0 1.718 3.280 965 933 A 83 ASN H A 82 ILE HB 1.0 1.945 4.737 966 934 A 88 PRO HDx A 88 PRO HDy 1.0 1.343 2.071 967 935 A 11 CYS HBy A 16 LEU HG 1.0 1.934 4.608 968 936 A 11 CYS HBx A 16 LEU HG 1.0 1.882 4.174 969 937 A 7 LYS HD2 A 8 THR H 1.0 1.903 4.335 970 938 A 8 THR HA A 7 LYS HG2 1.0 1.914 4.424 971 939 A 60 ILE HG2% A 61 GLU HGy 1.0 1.873 4.113 972 940 A 61 GLU HGy A 61 GLU HGx 1.0 1.535 2.609 973 941 A 61 GLU HBy A 61 GLU HGy 1.0 1.756 3.446 974 942 A 61 GLU HBy A 61 GLU HGx 1.0 1.716 3.270 975 943 A 61 GLU HA A 61 GLU HGx 1.0 1.850 3.964 976 944 A 61 GLU H A 61 GLU HGx 1.0 1.966 4.988 977 945 A 61 GLU H A 61 GLU HGy 1.0 1.971 5.061 978 946 A 23 LYS HA A 24 LYS HBx 1.0 1.899 4.299 979 947 A 85 THR HB A 84 CYS HA 1.0 1.953 4.815 980 948 A 69 THR HB A 84 CYS HA 1.0 1.918 4.458 981 949 A 81 GLY HAx A 82 ILE HD1% 1.0 1.919 4.473 982 950 A 79 LEU HBy A 48 GLN HA 1.0 1.926 4.534 983 951 A 67 THR H A 68 PRO HDy 1.0 1.948 4.758 984 952 A 86 PRO HA A 86 PRO HGy 1.0 1.894 4.268 985 953 A 24 LYS H A 23 LYS HG2 1.0 2.389 4.723 986 954 A 79 LEU H A 79 LEU HDx% 1.0 1.854 3.982 987 955 A 67 THR HB A 21 THR HG2% 1.0 1.728 3.324 988 956 A 58 ILE H A 57 GLY H 1.0 1.804 3.690 989 957 A 48 GLN H A 49 CYS H 1.0 1.967 5.005 990 958 A 43 ASP H A 44 GLN H 1.0 1.699 3.197 991 959 A 46 ALA H A 45 VAL H 1.0 1.886 4.202 992 960 A 61 GLU H A 62 ASP H 1.0 1.958 4.884 993 961 A 54 LEU H A 55 LEU H 1.0 2.361 4.535 994 962 A 12 ASN HBy A 12 ASN HD21 1.0 1.881 4.173 995 963 A 40 ASP H A 40 ASP HBy 1.0 1.719 3.283 996 964 A 43 ASP H A 43 ASP HBx 1.0 1.706 3.230 997 965 A 52 ILE H A 52 ILE HG1x 1.0 1.817 3.767 998 966 A 52 ILE H A 52 ILE HG2% 1.0 1.829 3.833 999 967 A 90 ILE H A 90 ILE HG1x 1.0 1.910 4.396 1000 968 A 49 CYS H A 49 CYS HBx 1.0 1.898 4.294 1001 969 A 48 GLN HGy A 49 CYS H 1.0 1.922 4.502 1002 970 A 48 GLN HBx A 49 CYS H 1.0 1.944 4.718 1003 971 A 79 LEU HBy A 49 CYS H 1.0 1.960 4.908 1004 972 A 49 CYS H A 79 LEU HDy% 1.0 1.933 4.603 1005 973 A 49 CYS H A 48 GLN HE22 1.0 1.980 5.224 1006 974 A 49 CYS H A 49 CYS HA 1.0 1.886 4.206 1007 975 A 19 CYS H A 18 CYS H 1.0 1.982 5.260 1008 976 A 19 CYS H A 19 CYS HBy 1.0 1.892 4.246 1009 977 A 19 CYS H A 19 CYS HBx 1.0 1.840 3.896 1010 978 A 9 GLY H A 10 SER HB2 1.0 1.965 4.977 1011 979 A 48 GLN HE21 A 48 GLN HA 1.0 1.955 4.843 1012 980 A 48 GLN HE21 A 80 VAL HGx% 1.0 1.937 4.649 1013 981 A 74 VAL HGy% A 71 CYS H 1.0 1.986 5.354 1014 982 A 71 CYS H A 15 LYS H 1.0 1.906 4.358 1015 983 A 71 CYS H A 70 CYS H 1.0 1.985 5.319 1016 984 A 51 GLN HE21 A 51 GLN HE22 1.0 1.354 2.098 1017 985 A 90 ILE H A 89 LEU HA 1.0 1.638 2.960 1018 986 A 90 ILE H A 88 PRO HBx 1.0 1.918 4.456 1019 987 A 90 ILE H A 88 PRO HBy 1.0 1.988 5.400 1020 988 A 90 ILE H A 89 LEU H 1.0 1.754 3.442 1021 989 A 83 ASN HBx A 72 GLU H 1.0 1.868 4.078 1022 990 A 72 GLU H A 72 GLU HGx 1.0 1.822 3.788 1023 991 A 7 LYS HB2 A 8 THR H 1.0 1.920 4.484 1024 992 A 7 LYS HG2 A 8 THR H 1.0 1.964 4.958 1025 993 A 8 THR HG2% A 8 THR H 1.0 1.823 3.795 1026 994 A 42 LEU H A 43 ASP HA 1.0 1.976 5.162 1027 995 A 42 LEU HA A 42 LEU H 1.0 1.739 3.369 1028 996 A 41 VAL HB A 42 LEU H 1.0 1.850 3.956 1029 997 A 42 LEU H A 42 LEU HBy 1.0 1.564 2.700 1030 998 A 42 LEU H A 43 ASP HBx 1.0 1.989 5.421 1031 999 A 20 ASP HBx A 23 LYS H 1.0 1.981 5.235 1032 1000 A 21 THR HA A 23 LYS H 1.0 1.957 4.871 1033 1001 A 47 ILE HB A 23 LYS H 1.0 1.978 5.194 1034 1002 A 20 ASP HBy A 23 LYS H 1.0 1.918 4.462 1035 1003 A 23 LYS H A 23 LYS HBx 1.0 1.735 3.355 1036 1004 A 23 LYS HG2 A 23 LYS H 1.0 1.873 4.105 1037 1005 A 47 ILE HG2% A 23 LYS H 1.0 1.960 4.914 1038 1006 A 58 ILE HG1y A 58 ILE H 1.0 1.915 4.437 1039 1007 A 58 ILE HG2% A 58 ILE H 1.0 1.921 4.487 1040 1008 A 59 ALA H A 58 ILE H 1.0 1.954 4.836 1041 1009 A 17 ALA HB% A 71 CYS H 1.0 1.984 5.282 1042 1010 A 71 CYS H A 70 CYS HBx 1.0 1.979 5.207 1043 1011 A 15 LYS HBy A 71 CYS H 1.0 1.988 5.392 1044 1012 A 75 GLU HBy A 75 GLU H 1.0 1.986 5.336 1045 1013 A 75 GLU H A 74 VAL HGx% 1.0 1.983 5.283 1046 1014 A 13 THR HB A 13 THR H 1.0 1.986 5.366 1047 1015 A 13 THR HA A 13 THR H 1.0 1.934 4.610 1048 1016 A 12 ASN HBx A 13 THR H 1.0 1.977 5.169 1049 1017 A 13 THR HG2% A 13 THR H 1.0 1.971 5.069 1050 1018 A 47 ILE HD1% A 47 ILE H 1.0 1.990 5.448 1051 1019 A 34 GLY H A 34 GLY HA2 1.0 1.685 3.141 1052 1020 A 34 GLY H A 35 LEU H 1.0 1.892 4.248 1053 1021 A 22 ASN HD22 A 22 ASN HBx 1.0 1.739 3.373 1054 1022 A 22 ASN HD22 A 22 ASN HD21 1.0 1.332 2.046 1055 1023 A 37 HIS HA A 39 GLY H 1.0 1.896 4.284 1056 1024 A 29 THR HG2% A 30 GLY H 1.0 1.951 4.799 1057 1025 A 38 THR HA A 39 GLY H 1.0 1.756 3.448 1058 1026 A 29 THR HA A 30 GLY H 1.0 1.747 3.407 1059 1027 A 68 PRO HBx A 69 THR H 1.0 1.916 4.438 1060 1028 A 17 ALA HB% A 69 THR H 1.0 1.958 4.876 1061 1029 A 60 ILE HD1% A 69 THR H 1.0 1.958 4.888 1062 1030 A 69 THR HB A 69 THR H 1.0 1.967 5.013 1063 1031 A 69 THR H A 87 ILE HG1x 1.0 1.915 4.437 1064 1032 A 17 ALA H A 69 THR H 1.0 1.913 4.421 1065 1033 A 69 THR H A 70 CYS H 1.0 1.966 4.994 1066 1034 A 83 ASN HBx A 83 ASN HD21 1.0 1.705 3.221 1067 1035 A 83 ASN HD22 A 83 ASN HD21 1.0 1.351 2.091 1068 1036 A 37 HIS HA A 38 THR H 1.0 1.927 4.547 1069 1037 A 38 THR HG2% A 38 THR H 1.0 1.990 5.450 1070 1038 A 16 LEU HDy% A 5 GLU H 1.0 1.982 5.242 1071 1039 A 4 TRP HA A 5 GLU H 1.0 1.796 3.650 1072 1040 A 5 GLU HA A 5 GLU H 1.0 1.918 4.466 1073 1041 A 4 TRP HBy A 5 GLU H 1.0 1.893 4.253 1074 1042 A 4 TRP HBx A 5 GLU H 1.0 1.959 4.895 1075 1043 A 4 TRP HE3 A 5 GLU H 1.0 1.963 4.947 1076 1044 A 79 LEU H A 79 LEU HBy 1.0 1.825 3.811 1077 1045 A 79 LEU H A 79 LEU HDy% 1.0 1.964 4.966 1078 1046 A 79 LEU H A 76 ASP HBx 1.0 1.987 5.369 1079 1047 A 79 LEU H A 80 VAL H 1.0 1.897 4.293 1080 1048 A 82 ILE HG2% A 44 GLN H 1.0 1.952 4.808 1081 1049 A 44 GLN HA A 44 GLN H 1.0 1.533 2.603 1082 1050 A 40 ASP HBx A 41 VAL H 1.0 1.790 3.620 1083 1051 A 44 GLN H A 44 GLN HGx 1.0 1.812 3.734 1084 1052 A 41 VAL HB A 44 GLN H 1.0 1.692 3.170 1085 1053 A 44 GLN HBy A 44 GLN H 1.0 1.666 3.066 1086 1054 A 41 VAL HGy% A 41 VAL H 1.0 1.642 2.974 1087 1055 A 84 CYS HBy A 85 THR H 1.0 1.949 4.781 1088 1056 A 85 THR HG2% A 85 THR H 1.0 1.907 4.367 1089 1057 A 85 THR H A 71 CYS HA 1.0 1.822 3.790 1090 1058 A 65 LYS HBx A 65 LYS H 1.0 1.982 5.262 1091 1059 A 64 CYS HA A 65 LYS H 1.0 1.965 4.981 1092 1060 A 11 CYS HA A 12 ASN HD21 1.0 1.980 5.224 1093 1061 A 13 THR HG2% A 12 ASN HD21 1.0 1.967 5.007 1094 1062 A 10 SER H A 10 SER HA 1.0 1.787 3.601 1095 1063 A 10 SER H A 10 SER HB2 1.0 1.676 3.102 1096 1064 A 10 SER H A 87 ILE HG2% 1.0 1.963 4.947 1097 1065 A 10 SER H A 11 CYS H 1.0 1.975 5.141 1098 1066 A 33 SER H A 73 ASP HA 1.0 1.920 4.482 1099 1067 A 33 SER H A 32 GLU HG2 1.0 1.982 5.264 1100 1068 A 33 SER H A 32 GLU HBx 1.0 1.975 5.121 1101 1069 A 33 SER H A 32 GLU HBy 1.0 1.984 5.286 1102 1070 A 33 SER H A 32 GLU H 1.0 1.939 4.665 1103 1071 A 77 ASP H A 77 ASP HBx 1.0 1.922 4.498 1104 1072 A 77 ASP H A 77 ASP HA 1.0 1.611 2.859 1105 1073 A 77 ASP H A 78 GLY H 1.0 1.932 4.596 1106 1074 A 19 CYS H A 67 THR HB 1.0 1.972 5.084 1107 1075 A 17 ALA HB% A 19 CYS H 1.0 1.986 5.330 1108 1076 A 19 CYS H A 47 ILE HD1% 1.0 1.969 5.023 1109 1077 A 12 ASN HD22 A 11 CYS HA 1.0 1.979 5.199 1110 1078 A 12 ASN HD22 A 13 THR HG2% 1.0 1.958 4.892 1111 1079 A 12 ASN HD22 A 12 ASN HD21 1.0 1.272 1.902 1112 1080 A 73 ASP H A 73 ASP HBx 1.0 1.907 4.369 1113 1081 A 73 ASP H A 73 ASP HA 1.0 1.914 4.430 1114 1082 A 81 GLY HAy A 73 ASP H 1.0 1.975 5.123 1115 1083 A 73 ASP H A 73 ASP HBy 1.0 1.850 3.962 1116 1084 A 37 HIS HA A 40 ASP H 1.0 1.927 4.545 1117 1085 A 40 ASP H A 39 GLY HAy 1.0 1.737 3.365 1118 1086 A 40 ASP H A 39 GLY HAx 1.0 1.741 3.379 1119 1087 A 41 VAL HGy% A 40 ASP H 1.0 1.980 5.232 1120 1088 A 64 CYS HA A 64 CYS H 1.0 1.898 4.296 1121 1089 A 63 GLU HGx A 64 CYS H 1.0 1.960 4.900 1122 1090 A 63 GLU HBx A 64 CYS H 1.0 1.923 4.505 1123 1091 A 52 ILE HB A 64 CYS H 1.0 1.985 5.323 1124 1092 A 63 GLU H A 64 CYS H 1.0 1.747 3.405 1125 1093 A 62 ASP H A 64 CYS H 1.0 1.966 4.988 1126 1094 A 21 THR HB A 21 THR H 1.0 1.864 4.048 1127 1095 A 67 THR HB A 21 THR H 1.0 1.923 4.509 1128 1096 A 21 THR HA A 21 THR H 1.0 1.755 3.447 1129 1097 A 20 ASP HBx A 21 THR H 1.0 1.936 4.636 1130 1098 A 47 ILE HB A 21 THR H 1.0 1.986 5.348 1131 1099 A 21 THR HG2% A 21 THR H 1.0 1.635 2.947 1132 1100 A 47 ILE HG2% A 21 THR H 1.0 1.953 4.829 1133 1101 A 47 ILE HD1% A 21 THR H 1.0 1.940 4.672 1134 1102 A 23 LYS H A 21 THR H 1.0 1.951 4.801 1135 1103 A 20 ASP HA A 21 THR H 1.0 1.529 2.591 1136 1104 A 31 GLU HGy A 31 GLU H 1.0 1.874 4.118 1137 1105 A 31 GLU HBx A 31 GLU H 1.0 1.890 4.232 1138 1106 A 31 GLU HBy A 31 GLU H 1.0 1.748 3.410 1139 1107 A 29 THR HA A 29 THR H 1.0 1.904 4.348 1140 1108 A 28 SER HA A 29 THR H 1.0 1.714 3.262 1141 1109 A 28 SER HBy A 29 THR H 1.0 1.913 4.411 1142 1110 A 29 THR HG2% A 29 THR H 1.0 1.893 4.253 1143 1111 A 29 THR HB A 29 THR H 1.0 1.952 4.806 1144 1112 A 67 THR HB A 67 THR H 1.0 1.726 3.312 1145 1113 A 68 PRO HDx A 67 THR H 1.0 1.965 4.971 1146 1114 A 48 GLN HGy A 48 GLN HE22 1.0 1.839 3.891 1147 1115 A 26 GLN HBy A 26 GLN HE21 1.0 1.974 5.102 1148 1116 A 48 GLN HE21 A 48 GLN HE22 1.0 1.295 1.955 1149 1117 A 55 LEU HB2 A 56 ILE H 1.0 1.804 3.690 1150 1118 A 56 ILE H A 56 ILE HG2% 1.0 1.834 3.862 1151 1119 A 63 GLU H A 62 ASP HA 1.0 1.964 4.962 1152 1120 A 63 GLU H A 63 GLU HGx 1.0 1.913 4.425 1153 1121 A 58 ILE HG2% A 63 GLU H 1.0 1.990 5.436 1154 1122 A 80 VAL HGx% A 48 GLN HE22 1.0 1.955 4.853 1155 1123 A 66 ASN H A 65 LYS HBx 1.0 1.958 4.874 1156 1124 A 66 ASN H A 64 CYS HA 1.0 1.942 4.696 1157 1125 A 66 ASN HBx A 66 ASN H 1.0 1.868 4.074 1158 1126 A 66 ASN HBy A 66 ASN H 1.0 1.768 3.508 1159 1127 A 65 LYS HBy A 66 ASN H 1.0 1.966 4.984 1160 1128 A 65 LYS HD2 A 66 ASN H 1.0 1.985 5.331 1161 1129 A 66 ASN H A 65 LYS H 1.0 1.887 4.209 1162 1130 A 67 THR H A 66 ASN H 1.0 1.951 4.797 1163 1131 A 48 GLN H A 47 ILE HG1y 1.0 1.952 4.808 1164 1132 A 48 GLN H A 47 ILE HB 1.0 1.678 3.112 1165 1133 A 48 GLN HBx A 48 GLN H 1.0 1.753 3.433 1166 1134 A 48 GLN H A 23 LYS HBx 1.0 1.910 4.396 1167 1135 A 48 GLN H A 47 ILE HA 1.0 1.705 3.223 1168 1136 A 4 TRP HA A 4 TRP H 1.0 1.859 4.015 1169 1137 A 4 TRP HBy A 4 TRP H 1.0 2.280 4.068 1170 1138 A 4 TRP HBx A 4 TRP H 1.0 1.680 3.118 1171 1139 A 16 LEU HBy A 4 TRP H 1.0 1.955 4.849 1172 1140 A 4 TRP HD1 A 4 TRP H 1.0 1.849 3.957 1173 1141 A 5 GLU H A 4 TRP H 1.0 1.952 4.806 1174 1142 A 44 GLN HE21 A 44 GLN HGy 1.0 1.763 3.481 1175 1143 A 41 VAL HGy% A 44 GLN HE21 1.0 1.949 4.773 1176 1144 A 66 ASN HBx A 66 ASN HD21 1.0 1.859 4.023 1177 1145 A 44 GLN HE21 A 44 GLN HE22 1.0 1.212 1.766 1178 1146 A 36 LEU HA A 37 HIS H 1.0 1.914 4.428 1179 1147 A 75 GLU HBy A 76 ASP H 1.0 1.809 3.719 1180 1148 A 22 ASN HA A 22 ASN HD21 1.0 1.989 5.413 1181 1149 A 22 ASN HBx A 22 ASN HD21 1.0 1.836 3.876 1182 1150 A 80 VAL H A 80 VAL HGy% 1.0 1.983 5.289 1183 1151 A 80 VAL H A 80 VAL HGx% 1.0 1.903 4.337 1184 1152 A 79 LEU HBx A 80 VAL H 1.0 1.980 5.216 1185 1153 A 82 ILE HG2% A 44 GLN HE22 1.0 1.927 4.543 1186 1154 A 82 ILE HD1% A 44 GLN HE22 1.0 1.990 5.428 1187 1155 A 44 GLN HGy A 44 GLN HE22 1.0 1.894 4.264 1188 1156 A 41 VAL HGy% A 44 GLN HE22 1.0 1.948 4.758 1189 1157 A 70 CYS HBx A 70 CYS H 1.0 1.828 3.824 1190 1158 A 70 CYS H A 70 CYS HBy 1.0 1.837 3.881 1191 1159 A 17 ALA H A 16 LEU HDx% 1.0 1.966 4.986 1192 1160 A 22 ASN H A 23 LYS HBy 1.0 1.986 5.350 1193 1161 A 20 ASP HBx A 22 ASN H 1.0 1.977 5.157 1194 1162 A 22 ASN H A 23 LYS HBx 1.0 1.960 4.910 1195 1163 A 23 LYS HG2 A 22 ASN H 1.0 2.462 5.438 1196 1164 A 22 ASN H A 21 THR HG2% 1.0 1.943 4.709 1197 1165 A 23 LYS HA A 22 ASN H 1.0 1.965 4.983 1198 1166 A 22 ASN H A 21 THR HB 1.0 1.957 4.873 1199 1167 A 20 ASP HBy A 22 ASN H 1.0 1.958 4.882 1200 1168 A 22 ASN H A 22 ASN HBx 1.0 2.175 3.601 1201 1169 A 20 ASP HA A 22 ASN H 1.0 1.873 4.111 1202 1170 A 22 ASN H A 22 ASN HD22 1.0 2.433 5.105 1203 1171 A 23 LYS H A 22 ASN H 1.0 1.605 2.839 1204 1172 A 22 ASN H A 22 ASN HD21 1.0 1.972 5.088 1205 1173 A 24 LYS HGx A 24 LYS H 1.0 1.823 3.799 1206 1174 A 24 LYS H A 24 LYS HGy 1.0 1.876 4.128 1207 1175 A 25 VAL HGy% A 24 LYS H 1.0 1.960 4.914 1208 1176 A 24 LYS H A 23 LYS H 1.0 1.909 4.379 1209 1177 A 24 LYS H A 25 VAL H 1.0 1.925 4.525 1210 1178 A 83 ASN HD22 A 82 ILE HG2% 1.0 1.930 4.576 1211 1179 A 66 ASN HBx A 66 ASN HD22 1.0 1.935 4.625 1212 1180 A 66 ASN HBy A 66 ASN HD22 1.0 1.932 4.600 1213 1181 A 81 GLY H A 80 VAL HA 1.0 1.826 3.812 1214 1182 A 81 GLY H A 80 VAL HGx% 1.0 1.925 4.525 1215 1183 A 81 GLY H A 80 VAL HGy% 1.0 2.310 4.222 1216 1184 A 81 GLY H A 47 ILE HG1x 1.0 1.922 4.500 1217 1185 A 32 GLU HG2 A 32 GLU H 1.0 1.872 4.102 1218 1186 A 73 ASP HA A 32 GLU H 1.0 1.964 4.960 1219 1187 A 32 GLU HA A 32 GLU H 1.0 1.608 2.848 1220 1188 A 32 GLU HBx A 32 GLU H 1.0 1.809 3.723 1221 1189 A 32 GLU HBy A 32 GLU H 1.0 1.786 3.600 1222 1190 A 45 VAL HGy% A 46 ALA H 1.0 1.840 3.902 1223 1191 A 46 ALA H A 47 ILE HG2% 1.0 1.936 4.636 1224 1192 A 89 LEU H A 89 LEU HDx% 1.0 1.928 4.554 1225 1193 A 89 LEU HDy% A 89 LEU H 1.0 1.871 4.101 1226 1194 A 89 LEU H A 88 PRO HGy 1.0 1.962 4.934 1227 1195 A 50 THR HG2% A 20 ASP H 1.0 1.965 4.971 1228 1196 A 20 ASP H A 19 CYS HBy 1.0 1.778 3.556 1229 1197 A 20 ASP H A 19 CYS HBx 1.0 1.889 4.225 1230 1198 A 20 ASP H A 23 LYS HBx 1.0 1.988 5.384 1231 1199 A 20 ASP H A 47 ILE HG2% 1.0 1.964 4.956 1232 1200 A 20 ASP H A 48 GLN HBy 1.0 1.936 4.638 1233 1201 A 47 ILE HD1% A 20 ASP H 1.0 1.921 4.495 1234 1202 A 16 LEU H A 16 LEU HBx 1.0 1.770 3.518 1235 1203 A 16 LEU H A 16 LEU HBy 1.0 1.878 4.146 1236 1204 A 16 LEU H A 16 LEU HDx% 1.0 1.897 4.287 1237 1205 A 16 LEU H A 15 LYS HBy 1.0 1.974 5.116 1238 1206 A 18 CYS HBx A 50 THR H 1.0 1.951 4.797 1239 1207 A 50 THR H A 49 CYS HBy 1.0 1.865 4.053 1240 1208 A 50 THR H A 50 THR HG2% 1.0 1.809 3.723 1241 1209 A 18 CYS HBy A 50 THR H 1.0 1.965 4.975 1242 1210 A 18 CYS H A 50 THR H 1.0 1.968 5.030 1243 1211 A 74 VAL HGy% A 74 VAL H 1.0 1.878 4.148 1244 1212 A 51 GLN H A 50 THR HG2% 1.0 1.934 4.612 1245 1213 A 51 GLN H A 79 LEU HDy% 1.0 1.924 4.514 1246 1214 A 51 GLN HG2 A 51 GLN H 1.0 1.913 4.415 1247 1215 A 68 PRO HBy A 87 ILE H 1.0 1.976 5.134 1248 1216 A 87 ILE H A 67 THR HG2% 1.0 1.981 5.231 1249 1217 A 87 ILE H A 87 ILE HG1x 1.0 1.777 3.553 1250 1218 A 88 PRO HDy A 87 ILE H 1.0 1.984 5.304 1251 1219 A 62 ASP HA A 62 ASP H 1.0 1.989 5.431 1252 1220 A 62 ASP H A 61 GLU HBx 1.0 1.978 5.196 1253 1221 A 54 LEU H A 54 LEU HA 1.0 1.583 2.763 1254 1222 A 53 PRO HBy A 54 LEU H 1.0 1.936 4.634 1255 1223 A 54 LEU H A 54 LEU HBy 1.0 1.628 2.924 1256 1224 A 45 VAL HB A 84 CYS H 1.0 1.979 5.207 1257 1225 A 47 ILE HD1% A 84 CYS H 1.0 1.975 5.133 1258 1226 A 84 CYS H A 85 THR H 1.0 1.991 5.473 1259 1227 A 35 LEU HA A 35 LEU H 1.0 1.779 3.563 1260 1228 A 35 LEU H A 34 GLY HA2 1.0 1.689 3.159 1261 1229 A 35 LEU HB2 A 35 LEU H 1.0 1.627 2.919 1262 1230 A 35 LEU HDx% A 35 LEU H 1.0 1.952 4.808 1263 1231 A 56 ILE HG1x A 57 GLY H 1.0 1.960 4.914 1264 1232 A 57 GLY H A 57 GLY HAy 1.0 1.667 3.071 1265 1233 A 56 ILE HB A 57 GLY H 1.0 1.828 3.822 1266 1234 A 56 ILE HG1y A 57 GLY H 1.0 1.977 5.167 1267 1235 A 57 GLY H A 56 ILE H 1.0 1.927 4.543 1268 1236 A 36 LEU H A 34 GLY HA2 1.0 1.983 5.265 1269 1237 A 35 LEU HB2 A 36 LEU H 1.0 1.652 3.010 1270 1238 A 36 LEU H A 37 HIS H 1.0 1.965 4.973 1271 1239 A 11 CYS HA A 11 CYS H 1.0 1.930 4.576 1272 1240 A 26 GLN HBy A 26 GLN H 1.0 1.672 3.086 1273 1241 A 25 VAL HB A 26 GLN H 1.0 1.781 3.573 1274 1242 A 46 ALA HB% A 26 GLN H 1.0 1.968 5.024 1275 1243 A 25 VAL HGx% A 26 GLN H 1.0 1.735 3.353 1276 1244 A 25 VAL HA A 26 GLN H 1.0 1.518 2.556 1277 1245 A 45 VAL HGy% A 83 ASN H 1.0 1.941 4.685 1278 1246 A 83 ASN H A 82 ILE HG1x 1.0 1.985 5.317 1279 1247 A 83 ASN H A 83 ASN HA 1.0 1.480 2.442 1280 1248 A 83 ASN H A 46 ALA HB% 1.0 1.960 4.912 1281 1249 A 83 ASN H A 82 ILE H 1.0 1.964 4.964 1282 1250 A 83 ASN H A 46 ALA HA 1.0 1.934 4.620 1283 1251 A 83 ASN H A 84 CYS H 1.0 1.836 3.870 1284 1252 A 58 ILE HD1% A 59 ALA H 1.0 1.976 5.152 1285 1253 A 27 LYS HBx A 27 LYS H 1.0 1.754 3.440 1286 1254 A 27 LYS HGy A 27 LYS H 1.0 1.850 3.956 1287 1255 A 27 LYS HE2 A 27 LYS H 1.0 1.991 5.471 1288 1256 A 45 VAL H A 83 ASN HA 1.0 1.883 4.183 1289 1257 A 45 VAL HGx% A 45 VAL H 1.0 1.690 3.160 1290 1258 A 25 VAL HB A 25 VAL H 1.0 1.643 2.979 1291 1259 A 25 VAL HGy% A 25 VAL H 1.0 1.641 2.967 1292 1260 A 83 ASN HD22 A 45 VAL H 1.0 1.958 4.880 1293 1261 A 47 ILE HA A 25 VAL H 1.0 1.766 3.494 1294 1262 A 83 ASN H A 45 VAL H 1.0 1.889 4.221 1295 1263 A 82 ILE H A 73 ASP HBx 1.0 1.968 5.012 1296 1264 A 82 ILE H A 82 ILE HD1% 1.0 1.915 4.429 1297 1265 A 82 ILE H A 73 ASP H 1.0 1.913 4.421 1298 1266 A 82 ILE H A 74 VAL HA 1.0 1.888 4.218 1299 1267 A 82 ILE H A 72 GLU H 1.0 1.968 5.010 1300 1268 A 81 GLY H A 82 ILE H 1.0 1.984 5.292 1301 1269 A 28 SER H A 28 SER HBy 1.0 1.891 4.241 1302 1270 A 27 LYS HBy A 28 SER H 1.0 1.979 5.203 1303 1271 A 15 LYS HA A 15 LYS H 1.0 1.953 4.823 1304 1272 A 15 LYS HBx A 15 LYS H 1.0 1.911 4.403 1305 1273 A 15 LYS H A 70 CYS HA 1.0 1.979 5.205 1306 1274 A 24 LYS HGx A 25 VAL H 1.0 1.972 5.082 1307 1275 A 24 LYS HGy A 25 VAL H 1.0 1.965 4.969 1308 1276 A 63 GLU H A 62 ASP H 1.0 1.742 3.386 1309 1277 A 36 LEU H A 35 LEU H 1.0 1.761 3.473 1310 1278 A 9 GLY H A 10 SER H 1.0 1.842 3.912 1311 1279 A 19 CYS H A 67 THR H 1.0 1.826 3.814 1312 1280 A 22 ASN H A 21 THR H 1.0 1.653 3.015 1313 1281 A 40 ASP H A 39 GLY H 1.0 1.918 4.466 1314 1282 A 41 VAL H A 40 ASP H 1.0 1.673 3.091 1315 1283 A 50 THR H A 51 GLN H 1.0 1.896 4.278 1316 1284 A 72 GLU H A 73 ASP H 1.0 1.756 3.450 1317 1285 A 16 LEU HDx% A 4 TRP HE1 1.0 1.997 5.695 1318 1286 A 17 ALA HA A 4 TRP HE1 1.0 1.996 5.688 1319 1287 A 44 GLN HE21 A 82 ILE HD1% 1.0 1.982 5.266 1320 1288 A 48 GLN H A 20 ASP H 1.0 1.985 5.305 1321 1289 A 51 GLN HBy A 51 GLN HE22 1.0 1.989 5.437 1322 1290 A 18 CYS H A 4 TRP HE1 1.0 1.998 5.732 1323 1291 A 16 LEU HBy A 4 TRP HE1 1.0 1.997 5.715 1324 1292 A 75 GLU HA A 75 GLU H 1.0 2.000 6.022 1325 1293 A 8 THR HG2% A 9 GLY H 1.0 2.000 5.912 1326 1294 A 8 THR HG2% A 10 SER H 1.0 2.000 5.920 1327 1295 A 13 THR HG2% A 15 LYS H 1.0 2.000 5.852 1328 1296 A 14 GLY H A 15 LYS H 1.0 2.000 5.970 1329 1297 A 15 LYS HBx A 71 CYS H 1.0 1.994 5.580 1330 1298 A 16 LEU HDx% A 4 TRP H 1.0 1.907 4.373 1331 1299 A 17 ALA H A 16 LEU HG 1.0 1.998 5.744 1332 1300 A 69 THR H A 16 LEU HG 1.0 1.989 5.427 1333 1301 A 50 THR H A 19 CYS HA 1.0 1.886 4.208 1334 1302 A 49 CYS H A 19 CYS HA 1.0 1.958 4.890 1335 1303 A 19 CYS HBx A 21 THR H 1.0 2.000 5.908 1336 1304 A 48 GLN H A 20 ASP HBy 1.0 1.989 5.417 1337 1305 A 24 LYS HD2 A 24 LYS H 1.0 1.838 3.886 1338 1306 A 23 LYS HE2 A 24 LYS H 1.0 1.988 5.406 1339 1307 A 38 THR HB A 39 GLY H 1.0 1.853 3.981 1340 1308 A 38 THR HA A 38 THR H 1.0 1.960 4.902 1341 1309 A 36 LEU H A 36 LEU HBy 1.0 1.757 3.455 1342 1310 A 38 THR HA A 41 VAL H 1.0 1.904 4.342 1343 1311 A 39 GLY H A 39 GLY HAx 1.0 1.765 3.495 1344 1312 A 41 VAL H A 39 GLY HAx 1.0 1.954 4.824 1345 1313 A 41 VAL H A 40 ASP HBy 1.0 1.849 3.955 1346 1314 A 42 LEU HDy% A 42 LEU H 1.0 1.952 4.808 1347 1315 A 44 GLN HE21 A 41 VAL H 1.0 1.996 5.654 1348 1316 A 43 ASP H A 44 GLN HGy 1.0 1.984 5.318 1349 1317 A 45 VAL HA A 83 ASN H 1.0 1.997 5.657 1350 1318 A 81 GLY H A 46 ALA HB% 1.0 1.938 4.654 1351 1319 A 48 GLN HA A 48 GLN HE22 1.0 1.978 5.192 1352 1320 A 55 LEU HB2 A 58 ILE H 1.0 1.980 5.232 1353 1321 A 58 ILE H A 56 ILE HA 1.0 1.969 5.039 1354 1322 A 19 CYS H A 60 ILE HD1% 1.0 1.998 5.730 1355 1323 A 73 ASP H A 82 ILE HD1% 1.0 1.996 5.620 1356 1324 A 67 THR HG2% A 21 THR H 1.0 1.965 4.971 1357 1325 A 73 ASP H A 74 VAL H 1.0 2.000 5.918 1358 1326 A 73 ASP H A 82 ILE HG1x 1.0 1.997 5.693 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _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 69 THR H A 17 ALA O 1.0 1.730 2.700 2 2 A 17 ALA O A 69 THR N 1.0 2.516 3.927 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_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 4 TRP C A 5 GLU N A 5 GLU CA A 5 GLU C 1.0 -120.0 -60.00 PHI 2 2 A 5 GLU N A 5 GLU CA A 5 GLU C A 6 SER N 1.0 110.0 130.00 PSI 3 3 A 5 GLU C A 6 SER N A 6 SER CA A 6 SER C 1.0 -110.0 -24.86 PHI 4 4 A 6 SER N A 6 SER CA A 6 SER C A 7 LYS N 1.0 -70.0 25.74 PSI 5 5 A 6 SER C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -120.0 -25.08 PHI 6 6 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 THR N 1.0 -50.0 15.82 PSI 7 7 A 7 LYS C A 8 THR N A 8 THR CA A 8 THR C 1.0 -120.0 -63.10 PHI 8 8 A 8 THR N A 8 THR CA A 8 THR C A 9 GLY N 1.0 -30.0 32.64 PSI 9 9 A 8 THR C A 9 GLY N A 9 GLY CA A 9 GLY C 1.0 50.0 126.48 PHI 10 10 A 9 GLY N A 9 GLY CA A 9 GLY C A 10 SER N 1.0 0.0 15.50 PSI 11 11 A 9 GLY C A 10 SER N A 10 SER CA A 10 SER C 1.0 -110.0 -30.00 PHI 12 12 A 10 SER N A 10 SER CA A 10 SER C A 11 CYS N 1.0 -30.0 -10.00 PSI 13 13 A 10 SER C A 11 CYS N A 11 CYS CA A 11 CYS C 1.0 -160.0 -104.00 PHI 14 14 A 11 CYS N A 11 CYS CA A 11 CYS C A 12 ASN N 1.0 145.0 175.00 PSI 15 15 A 11 CYS C A 12 ASN N A 12 ASN CA A 12 ASN C 1.0 -90.0 -50.00 PHI 16 16 A 12 ASN N A 12 ASN CA A 12 ASN C A 13 THR N 1.0 -30.0 -10.00 PSI 17 17 A 12 ASN C A 13 THR N A 13 THR CA A 13 THR C 1.0 -120.0 -53.18 PHI 18 18 A 13 THR N A 13 THR CA A 13 THR C A 14 GLY N 1.0 -30.0 20.74 PSI 19 19 A 13 THR C A 14 GLY N A 14 GLY CA A 14 GLY C 1.0 50.0 121.56 PHI 20 20 A 14 GLY N A 14 GLY CA A 14 GLY C A 15 LYS N 1.0 -30.0 55.80 PSI 21 21 A 14 GLY C A 15 LYS N A 15 LYS CA A 15 LYS C 1.0 -160.0 -43.78 PHI 22 22 A 15 LYS N A 15 LYS CA A 15 LYS C A 16 LEU N 1.0 90.0 168.90 PSI 23 23 A 15 LYS C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -150.0 -66.86 PHI 24 24 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 ALA N 1.0 100.0 170.02 PSI 25 25 A 16 LEU C A 17 ALA N A 17 ALA CA A 17 ALA C 1.0 -160.0 -74.14 PHI 26 26 A 17 ALA N A 17 ALA CA A 17 ALA C A 18 CYS N 1.0 100.0 155.26 PSI 27 27 A 17 ALA C A 18 CYS N A 18 CYS CA A 18 CYS C 1.0 -150.0 -80.20 PHI 28 28 A 18 CYS N A 18 CYS CA A 18 CYS C A 19 CYS N 1.0 100.0 151.12 PSI 29 29 A 18 CYS C A 19 CYS N A 19 CYS CA A 19 CYS C 1.0 -160.0 -88.54 PHI 30 30 A 19 CYS N A 19 CYS CA A 19 CYS C A 20 ASP N 1.0 100.0 166.04 PSI 31 31 A 19 CYS C A 20 ASP N A 20 ASP CA A 20 ASP C 1.0 -180.0 19.04 PHI 32 32 A 20 ASP N A 20 ASP CA A 20 ASP C A 21 THR N 1.0 80.0 199.14 PSI 33 33 A 20 ASP C A 21 THR N A 21 THR CA A 21 THR C 1.0 -100.0 -30.30 PHI 34 34 A 21 THR N A 21 THR CA A 21 THR C A 22 ASN N 1.0 -50.0 18.72 PSI 35 35 A 21 THR C A 22 ASN N A 22 ASN CA A 22 ASN C 1.0 -120.0 -50.90 PHI 36 36 A 22 ASN N A 22 ASN CA A 22 ASN C A 23 LYS N 1.0 -40.0 29.28 PSI 37 37 A 22 ASN C A 23 LYS N A 23 LYS CA A 23 LYS C 1.0 -170.0 7.64 PHI 38 38 A 23 LYS N A 23 LYS CA A 23 LYS C A 24 LYS N 1.0 90.0 185.52 PSI 39 39 A 23 LYS C A 24 LYS N A 24 LYS CA A 24 LYS C 1.0 -170.0 -50.00 PHI 40 40 A 24 LYS N A 24 LYS CA A 24 LYS C A 25 VAL N 1.0 110.0 170.00 PSI 41 41 A 24 LYS C A 25 VAL N A 25 VAL CA A 25 VAL C 1.0 -150.0 -82.92 PHI 42 42 A 25 VAL N A 25 VAL CA A 25 VAL C A 26 GLN N 1.0 100.0 149.60 PSI 43 43 A 25 VAL C A 26 GLN N A 26 GLN CA A 26 GLN C 1.0 -130.0 -40.08 PHI 44 44 A 26 GLN N A 26 GLN CA A 26 GLN C A 27 LYS N 1.0 -40.0 29.26 PSI 45 45 A 26 GLN C A 27 LYS N A 27 LYS CA A 27 LYS C 1.0 -160.0 30.00 PHI 46 46 A 27 LYS N A 27 LYS CA A 27 LYS C A 28 SER N 1.0 120.0 160.00 PSI 47 47 A 30 GLY C A 31 GLU N A 31 GLU CA A 31 GLU C 1.0 -100.0 -50.00 PHI 48 48 A 31 GLU N A 31 GLU CA A 31 GLU C A 32 GLU N 1.0 -50.0 20.00 PSI 49 49 A 31 GLU C A 32 GLU N A 32 GLU CA A 32 GLU C 1.0 -110.0 -35.94 PHI 50 50 A 32 GLU N A 32 GLU CA A 32 GLU C A 33 SER N 1.0 -70.0 2.70 PSI 51 51 A 32 GLU C A 33 SER N A 33 SER CA A 33 SER C 1.0 -90.0 -30.48 PHI 52 52 A 33 SER N A 33 SER CA A 33 SER C A 34 GLY N 1.0 -60.0 2.72 PSI 53 53 A 33 SER C A 34 GLY N A 34 GLY CA A 34 GLY C 1.0 -120.0 -38.72 PHI 54 54 A 34 GLY N A 34 GLY CA A 34 GLY C A 35 LEU N 1.0 -70.0 40.84 PSI 55 55 A 34 GLY C A 35 LEU N A 35 LEU CA A 35 LEU C 1.0 -90.0 -30.00 PHI 56 56 A 35 LEU N A 35 LEU CA A 35 LEU C A 36 LEU N 1.0 -60.0 10.00 PSI 57 57 A 35 LEU C A 36 LEU N A 36 LEU CA A 36 LEU C 1.0 -110.0 -30.00 PHI 58 58 A 36 LEU N A 36 LEU CA A 36 LEU C A 37 HIS N 1.0 100.0 180.00 PSI 59 59 A 36 LEU C A 37 HIS N A 37 HIS CA A 37 HIS C 1.0 -110.0 -40.04 PHI 60 60 A 37 HIS N A 37 HIS CA A 37 HIS C A 38 THR N 1.0 -70.0 4.58 PSI 61 61 A 37 HIS C A 38 THR N A 38 THR CA A 38 THR C 1.0 -120.0 -40.00 PHI 62 62 A 38 THR N A 38 THR CA A 38 THR C A 39 GLY N 1.0 -50.0 20.00 PSI 63 63 A 38 THR C A 39 GLY N A 39 GLY CA A 39 GLY C 1.0 -100.0 -10.74 PHI 64 64 A 39 GLY N A 39 GLY CA A 39 GLY C A 40 ASP N 1.0 -70.0 13.84 PSI 65 65 A 39 GLY C A 40 ASP N A 40 ASP CA A 40 ASP C 1.0 -120.0 -30.50 PHI 66 66 A 40 ASP N A 40 ASP CA A 40 ASP C A 41 VAL N 1.0 -50.0 20.46 PSI 67 67 A 40 ASP C A 41 VAL N A 41 VAL CA A 41 VAL C 1.0 -180.0 21.78 PHI 68 68 A 41 VAL N A 41 VAL CA A 41 VAL C A 42 LEU N 1.0 90.0 192.68 PSI 69 69 A 41 VAL C A 42 LEU N A 42 LEU CA A 42 LEU C 1.0 -120.0 -80.00 PHI 70 70 A 42 LEU N A 42 LEU CA A 42 LEU C A 43 ASP N 1.0 -35.0 20.00 PSI 71 71 A 42 LEU C A 43 ASP N A 43 ASP CA A 43 ASP C 1.0 -179.0 -61.00 PHI 72 72 A 43 ASP N A 43 ASP CA A 43 ASP C A 44 GLN N 1.0 -60.0 0.00 PSI 73 73 A 43 ASP C A 44 GLN N A 44 GLN CA A 44 GLN C 1.0 -170.0 -12.58 PHI 74 74 A 44 GLN N A 44 GLN CA A 44 GLN C A 45 VAL N 1.0 90.0 182.90 PSI 75 75 A 44 GLN C A 45 VAL N A 45 VAL CA A 45 VAL C 1.0 -140.0 -63.72 PHI 76 76 A 45 VAL N A 45 VAL CA A 45 VAL C A 46 ALA N 1.0 100.0 148.60 PSI 77 77 A 45 VAL C A 46 ALA N A 46 ALA CA A 46 ALA C 1.0 -150.0 -79.86 PHI 78 78 A 46 ALA N A 46 ALA CA A 46 ALA C A 47 ILE N 1.0 100.0 151.00 PSI 79 79 A 46 ALA C A 47 ILE N A 47 ILE CA A 47 ILE C 1.0 -170.0 -97.62 PHI 80 80 A 47 ILE N A 47 ILE CA A 47 ILE C A 48 GLN N 1.0 120.0 175.96 PSI 81 81 A 47 ILE C A 48 GLN N A 48 GLN CA A 48 GLN C 1.0 -160.0 -57.06 PHI 82 82 A 48 GLN N A 48 GLN CA A 48 GLN C A 49 CYS N 1.0 90.0 160.58 PSI 83 83 A 48 GLN C A 49 CYS N A 49 CYS CA A 49 CYS C 1.0 -170.0 -82.68 PHI 84 84 A 49 CYS N A 49 CYS CA A 49 CYS C A 50 THR N 1.0 110.0 199.90 PSI 85 85 A 49 CYS C A 50 THR N A 50 THR CA A 50 THR C 1.0 -160.0 -51.18 PHI 86 86 A 50 THR N A 50 THR CA A 50 THR C A 51 GLN N 1.0 100.0 169.64 PSI 87 87 A 50 THR C A 51 GLN N A 51 GLN CA A 51 GLN C 1.0 -120.0 -29.08 PHI 88 88 A 51 GLN N A 51 GLN CA A 51 GLN C A 52 ILE N 1.0 100.0 186.82 PSI 89 89 A 51 GLN C A 52 ILE N A 52 ILE CA A 52 ILE C 1.0 -100.0 -32.80 PHI 90 90 A 52 ILE N A 52 ILE CA A 52 ILE C A 53 PRO N 1.0 110.0 170.26 PSI 91 91 A 52 ILE C A 53 PRO N A 53 PRO CA A 53 PRO C 1.0 -70.0 -36.00 PHI 92 92 A 53 PRO N A 53 PRO CA A 53 PRO C A 54 LEU N 1.0 100.0 164.00 PSI 93 93 A 53 PRO C A 54 LEU N A 54 LEU CA A 54 LEU C 1.0 -110.0 -60.00 PHI 94 94 A 54 LEU N A 54 LEU CA A 54 LEU C A 55 LEU N 1.0 80.0 140.00 PSI 95 95 A 54 LEU C A 55 LEU N A 55 LEU CA A 55 LEU C 1.0 -110.0 -35.66 PHI 96 96 A 55 LEU N A 55 LEU CA A 55 LEU C A 56 ILE N 1.0 110.0 164.30 PSI 97 97 A 55 LEU C A 56 ILE N A 56 ILE CA A 56 ILE C 1.0 -110.0 -3.00 PHI 98 98 A 56 ILE N A 56 ILE CA A 56 ILE C A 57 GLY N 1.0 110.0 161.72 PSI 99 99 A 56 ILE C A 57 GLY N A 57 GLY CA A 57 GLY C 1.0 40.0 130.00 PHI 100 100 A 57 GLY N A 57 GLY CA A 57 GLY C A 58 ILE N 1.0 -30.0 30.00 PSI 101 101 A 57 GLY C A 58 ILE N A 58 ILE CA A 58 ILE C 1.0 -180.0 -11.28 PHI 102 102 A 58 ILE N A 58 ILE CA A 58 ILE C A 59 ALA N 1.0 90.0 179.92 PSI 103 103 A 58 ILE C A 59 ALA N A 59 ALA CA A 59 ALA C 1.0 -90.0 -43.24 PHI 104 104 A 59 ALA N A 59 ALA CA A 59 ALA C A 60 ILE N 1.0 110.0 183.28 PSI 105 105 A 59 ALA C A 60 ILE N A 60 ILE CA A 60 ILE C 1.0 -80.0 -30.16 PHI 106 106 A 60 ILE N A 60 ILE CA A 60 ILE C A 61 GLU N 1.0 -70.0 -19.98 PSI 107 107 A 60 ILE C A 61 GLU N A 61 GLU CA A 61 GLU C 1.0 -90.0 -34.74 PHI 108 108 A 61 GLU N A 61 GLU CA A 61 GLU C A 62 ASP N 1.0 -70.0 5.02 PSI 109 109 A 61 GLU C A 62 ASP N A 62 ASP CA A 62 ASP C 1.0 -110.0 -30.68 PHI 110 110 A 62 ASP N A 62 ASP CA A 62 ASP C A 63 GLU N 1.0 -60.0 16.00 PSI 111 111 A 62 ASP C A 63 GLU N A 63 GLU CA A 63 GLU C 1.0 -120.0 -68.54 PHI 112 112 A 63 GLU N A 63 GLU CA A 63 GLU C A 64 CYS N 1.0 -40.0 28.70 PSI 113 113 A 63 GLU C A 64 CYS N A 64 CYS CA A 64 CYS C 1.0 -150.0 2.12 PHI 114 114 A 64 CYS N A 64 CYS CA A 64 CYS C A 65 LYS N 1.0 110.0 195.46 PSI 115 115 A 64 CYS C A 65 LYS N A 65 LYS CA A 65 LYS C 1.0 -150.0 -100.00 PHI 116 116 A 65 LYS N A 65 LYS CA A 65 LYS C A 66 ASN N 1.0 10.0 100.00 PSI 117 117 A 65 LYS C A 66 ASN N A 66 ASN CA A 66 ASN C 1.0 -160.0 -100.00 PHI 118 118 A 66 ASN N A 66 ASN CA A 66 ASN C A 67 THR N 1.0 -179.0 -141.00 PSI 119 119 A 66 ASN C A 67 THR N A 67 THR CA A 67 THR C 1.0 -150.0 -79.78 PHI 120 120 A 67 THR N A 67 THR CA A 67 THR C A 68 PRO N 1.0 90.0 163.68 PSI 121 121 A 67 THR C A 68 PRO N A 68 PRO CA A 68 PRO C 1.0 -140.0 -36.22 PHI 122 122 A 68 PRO N A 68 PRO CA A 68 PRO C A 69 THR N 1.0 100.0 165.14 PSI 123 123 A 68 PRO C A 69 THR N A 69 THR CA A 69 THR C 1.0 -160.0 -76.56 PHI 124 124 A 69 THR N A 69 THR CA A 69 THR C A 70 CYS N 1.0 110.0 163.96 PSI 125 125 A 69 THR C A 70 CYS N A 70 CYS CA A 70 CYS C 1.0 -140.0 -47.78 PHI 126 126 A 70 CYS N A 70 CYS CA A 70 CYS C A 71 CYS N 1.0 100.0 147.64 PSI 127 127 A 70 CYS C A 71 CYS N A 71 CYS CA A 71 CYS C 1.0 -160.0 -57.16 PHI 128 128 A 71 CYS N A 71 CYS CA A 71 CYS C A 72 GLU N 1.0 90.0 185.98 PSI 129 129 A 71 CYS C A 72 GLU N A 72 GLU CA A 72 GLU C 1.0 -130.0 -29.08 PHI 130 130 A 72 GLU N A 72 GLU CA A 72 GLU C A 73 ASP N 1.0 -60.0 18.20 PSI 131 131 A 72 GLU C A 73 ASP N A 73 ASP CA A 73 ASP C 1.0 -170.0 -100.00 PHI 132 132 A 73 ASP N A 73 ASP CA A 73 ASP C A 74 VAL N 1.0 130.0 170.00 PSI 133 133 A 73 ASP C A 74 VAL N A 74 VAL CA A 74 VAL C 1.0 -180.0 -72.48 PHI 134 134 A 74 VAL N A 74 VAL CA A 74 VAL C A 75 GLU N 1.0 100.0 168.90 PSI 135 135 A 74 VAL C A 75 GLU N A 75 GLU CA A 75 GLU C 1.0 -150.0 -60.00 PHI 136 136 A 75 GLU N A 75 GLU CA A 75 GLU C A 76 ASP N 1.0 130.0 190.00 PSI 137 137 A 75 GLU C A 76 ASP N A 76 ASP CA A 76 ASP C 1.0 50.0 70.00 PHI 138 138 A 76 ASP N A 76 ASP CA A 76 ASP C A 77 ASP N 1.0 -179.0 -141.00 PSI 139 139 A 76 ASP C A 77 ASP N A 77 ASP CA A 77 ASP C 1.0 -120.0 -43.92 PHI 140 140 A 77 ASP N A 77 ASP CA A 77 ASP C A 78 GLY N 1.0 -40.0 22.80 PSI 141 141 A 77 ASP C A 78 GLY N A 78 GLY CA A 78 GLY C 1.0 50.0 120.18 PHI 142 142 A 78 GLY N A 78 GLY CA A 78 GLY C A 79 LEU N 1.0 -30.0 21.78 PSI 143 143 A 78 GLY C A 79 LEU N A 79 LEU CA A 79 LEU C 1.0 -125.0 -25.00 PHI 144 144 A 79 LEU N A 79 LEU CA A 79 LEU C A 80 VAL N 1.0 -60.0 0.00 PSI 145 145 A 79 LEU C A 80 VAL N A 80 VAL CA A 80 VAL C 1.0 -150.0 -99.78 PHI 146 146 A 80 VAL N A 80 VAL CA A 80 VAL C A 81 GLY N 1.0 100.0 165.50 PSI 147 147 A 80 VAL C A 81 GLY N A 81 GLY CA A 81 GLY C 1.0 -140.0 -83.72 PHI 148 148 A 81 GLY N A 81 GLY CA A 81 GLY C A 82 ILE N 1.0 90.0 144.48 PSI 149 149 A 81 GLY C A 82 ILE N A 82 ILE CA A 82 ILE C 1.0 -150.0 -82.52 PHI 150 150 A 82 ILE N A 82 ILE CA A 82 ILE C A 83 ASN N 1.0 100.0 166.86 PSI 151 151 A 82 ILE C A 83 ASN N A 83 ASN CA A 83 ASN C 1.0 35.0 75.00 PHI 152 152 A 83 ASN N A 83 ASN CA A 83 ASN C A 84 CYS N 1.0 35.0 75.00 PSI 153 153 A 83 ASN C A 84 CYS N A 84 CYS CA A 84 CYS C 1.0 -160.0 -69.24 PHI 154 154 A 84 CYS N A 84 CYS CA A 84 CYS C A 85 THR N 1.0 80.0 188.16 PSI 155 155 A 84 CYS C A 85 THR N A 85 THR CA A 85 THR C 1.0 -140.0 -53.34 PHI 156 156 A 85 THR N A 85 THR CA A 85 THR C A 86 PRO N 1.0 90.0 160.96 PSI 157 157 A 85 THR C A 86 PRO N A 86 PRO CA A 86 PRO C 1.0 -90.0 -38.34 PHI 158 158 A 86 PRO N A 86 PRO CA A 86 PRO C A 87 ILE N 1.0 110.0 179.38 PSI 159 159 A 86 PRO C A 87 ILE N A 87 ILE CA A 87 ILE C 1.0 -120.0 -30.12 PHI 160 160 A 87 ILE N A 87 ILE CA A 87 ILE C A 88 PRO N 1.0 100.0 190.68 PSI 161 161 A 87 ILE C A 88 PRO N A 88 PRO CA A 88 PRO C 1.0 -90.0 -39.22 PHI 162 162 A 88 PRO N A 88 PRO CA A 88 PRO C A 89 LEU N 1.0 110.0 184.82 PSI stop_ save_