data_nef_c18680_2lxk save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 18679 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 GLU middle . . 3 A 3 GLN middle . . 4 A 4 GLY middle . false 5 A 5 THR middle . . 6 A 6 VAL middle . . 7 A 7 LYS middle . . 8 A 8 TRP middle . . 9 A 9 PHE middle . . 10 A 10 ASN middle . . 11 A 11 ALA middle . . 12 A 12 GLU middle . . 13 A 13 LYS middle . . 14 A 14 GLY middle . false 15 A 15 PHE middle . . 16 A 16 GLY middle . false 17 A 17 PHE middle . . 18 A 18 ILE middle . . 19 A 19 GLU middle . . 20 A 20 ARG middle . . 21 A 21 GLU middle . . 22 A 22 ASN middle . . 23 A 23 GLY middle . false 24 A 24 ASP middle . . 25 A 25 ASP middle . . 26 A 26 VAL middle . . 27 A 27 PHE middle . . 28 A 28 VAL middle . . 29 A 29 HIS middle . . 30 A 30 PHE middle . . 31 A 31 SER middle . . 32 A 32 ALA middle . . 33 A 33 ILE middle . . 34 A 34 GLN middle . . 35 A 35 GLY middle . false 36 A 36 ASP middle . . 37 A 37 GLY middle . false 38 A 38 PHE middle . . 39 A 39 LYS middle . . 40 A 40 SER middle . . 41 A 41 LEU middle . . 42 A 42 ASP middle . . 43 A 43 GLU middle . . 44 A 44 GLY middle . false 45 A 45 GLN middle . . 46 A 46 ALA middle . . 47 A 47 VAL middle . . 48 A 48 THR middle . . 49 A 49 PHE middle . . 50 A 50 ASP middle . . 51 A 51 VAL middle . . 52 A 52 GLU middle . . 53 A 53 GLU middle . . 54 A 54 GLY middle . false 55 A 55 GLN middle . . 56 A 56 ARG middle . . 57 A 57 GLY middle . false 58 A 58 PRO middle . false 59 A 59 GLN middle . . 60 A 60 ALA middle . . 61 A 61 ALA middle . . 62 A 62 ASN middle . . 63 A 63 VAL middle . . 64 A 64 GLN middle . . 65 A 65 LYS middle . . 66 A 66 ALA end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 GLU HA H 1 4.384 0.008 A 2 GLU HB2 H 1 2.025 0.000 A 2 GLU HB3 H 1 2.025 0.000 A 2 GLU HG2 H 1 2.018 0.000 A 2 GLU HG3 H 1 2.151 0.001 A 2 GLU C C 13 174.000 0.000 A 2 GLU CB C 13 26.750 0.000 A 2 GLU CG C 13 33.240 0.000 A 3 GLN H H 1 8.207 0.009 A 3 GLN HA H 1 5.164 0.003 A 3 GLN HB2 H 1 2.157 0.004 A 3 GLN HB3 H 1 2.012 0.005 A 3 GLN HE21 H 1 7.481 0.002 A 3 GLN HE22 H 1 6.745 0.004 A 3 GLN HG2 H 1 2.333 0.006 A 3 GLN HG3 H 1 2.333 0.006 A 3 GLN C C 13 175.957 0.000 A 3 GLN CA C 13 54.114 0.050 A 3 GLN CB C 13 31.857 0.119 A 3 GLN CG C 13 33.866 0.056 A 3 GLN N N 15 116.986 0.002 A 3 GLN NE2 N 15 111.536 0.031 A 4 GLY H H 1 8.672 0.005 A 4 GLY HA2 H 1 4.691 0.005 A 4 GLY HA3 H 1 4.691 0.005 A 4 GLY C C 13 172.211 0.000 A 4 GLY CA C 13 45.669 0.000 A 4 GLY N N 15 108.379 0.039 A 5 THR H H 1 8.544 0.003 A 5 THR HA H 1 5.236 0.005 A 5 THR HB H 1 3.752 0.000 A 5 THR HG2% H 1 1.072 0.003 A 5 THR C C 13 174.086 0.000 A 5 THR CA C 13 59.981 0.057 A 5 THR CB C 13 71.675 0.000 A 5 THR N N 15 114.215 0.011 A 6 VAL H H 1 8.859 0.003 A 6 VAL HA H 1 3.553 0.006 A 6 VAL HB H 1 2.371 0.004 A 6 VAL HG1% H 1 0.520 0.007 A 6 VAL HG2% H 1 0.866 0.005 A 6 VAL C C 13 175.510 0.000 A 6 VAL CA C 13 64.827 0.046 A 6 VAL CB C 13 31.691 0.033 A 6 VAL CG1 C 13 21.380 0.109 A 6 VAL CG2 C 13 24.255 0.027 A 6 VAL N N 15 125.567 0.003 A 7 LYS H H 1 9.279 0.002 A 7 LYS HA H 1 4.285 0.005 A 7 LYS HB2 H 1 1.644 0.006 A 7 LYS HB3 H 1 1.773 0.003 A 7 LYS HD2 H 1 1.982 0.004 A 7 LYS HD3 H 1 2.143 0.007 A 7 LYS HE2 H 1 3.034 0.010 A 7 LYS HE3 H 1 3.034 0.010 A 7 LYS HG2 H 1 1.571 0.009 A 7 LYS HG3 H 1 1.615 0.001 A 7 LYS HZ1 H 1 7.081 0.000 A 7 LYS HZ2 H 1 7.077 0.000 A 7 LYS HZ3 H 1 7.081 0.000 A 7 LYS C C 13 176.029 0.000 A 7 LYS CA C 13 58.549 0.000 A 7 LYS CB C 13 34.865 0.167 A 7 LYS CD C 13 29.318 0.000 A 7 LYS CE C 13 41.629 0.074 A 7 LYS CG C 13 25.116 0.028 A 7 LYS N N 15 135.119 0.029 A 8 TRP H H 1 7.437 0.003 A 8 TRP HA H 1 4.615 0.012 A 8 TRP HB2 H 1 3.359 0.014 A 8 TRP HB3 H 1 3.511 0.021 A 8 TRP HE1 H 1 10.448 0.004 A 8 TRP C C 13 173.607 0.000 A 8 TRP CA C 13 56.060 0.000 A 8 TRP CB C 13 31.013 0.024 A 8 TRP N N 15 111.492 0.038 A 8 TRP NE1 N 15 130.059 0.000 A 9 PHE H H 1 9.254 0.003 A 9 PHE HA H 1 4.232 0.019 A 9 PHE HB2 H 1 2.391 0.012 A 9 PHE HB3 H 1 2.936 0.012 A 9 PHE C C 13 172.478 0.000 A 9 PHE CA C 13 59.188 0.000 A 9 PHE CB C 13 42.218 0.028 A 9 PHE N N 15 120.978 0.010 A 10 ASN H H 1 8.220 0.006 A 10 ASN HA H 1 4.813 0.013 A 10 ASN HB2 H 1 2.499 0.010 A 10 ASN HB3 H 1 2.499 0.010 A 10 ASN HD21 H 1 6.912 0.004 A 10 ASN HD22 H 1 6.765 0.002 A 10 ASN C C 13 174.155 0.000 A 10 ASN CA C 13 51.532 0.000 A 10 ASN CB C 13 39.340 0.000 A 10 ASN N N 15 127.135 0.019 A 10 ASN ND2 N 15 112.421 0.030 A 11 ALA H H 1 9.043 0.002 A 11 ALA HA H 1 4.059 0.005 A 11 ALA HB% H 1 1.598 0.011 A 11 ALA C C 13 178.815 0.000 A 11 ALA CA C 13 54.572 0.001 A 11 ALA CB C 13 18.704 0.001 A 11 ALA N N 15 128.688 0.029 A 12 GLU H H 1 8.121 0.010 A 12 GLU HA H 1 4.033 0.006 A 12 GLU HB2 H 1 2.142 0.060 A 12 GLU HB3 H 1 2.142 0.060 A 12 GLU HG2 H 1 2.263 0.005 A 12 GLU HG3 H 1 2.263 0.005 A 12 GLU C C 13 178.348 0.000 A 12 GLU CA C 13 59.047 0.057 A 12 GLU CB C 13 29.281 0.061 A 12 GLU CG C 13 36.659 0.000 A 12 GLU N N 15 117.999 0.040 A 13 LYS H H 1 7.562 0.002 A 13 LYS HA H 1 4.236 0.009 A 13 LYS HB2 H 1 1.122 0.003 A 13 LYS HB3 H 1 1.836 0.019 A 13 LYS HD2 H 1 1.870 0.000 A 13 LYS HD3 H 1 2.071 0.000 A 13 LYS HE2 H 1 3.021 0.013 A 13 LYS HE3 H 1 3.021 0.013 A 13 LYS HG2 H 1 1.366 0.012 A 13 LYS HG3 H 1 1.428 0.008 A 13 LYS C C 13 177.411 0.000 A 13 LYS CA C 13 56.407 0.000 A 13 LYS CB C 13 33.883 0.149 A 13 LYS CD C 13 29.453 0.000 A 13 LYS CE C 13 41.670 0.000 A 13 LYS CG C 13 25.880 0.052 A 13 LYS N N 15 116.143 0.027 A 14 GLY H H 1 8.178 0.004 A 14 GLY HA2 H 1 4.136 0.007 A 14 GLY HA3 H 1 4.136 0.007 A 14 GLY C C 13 172.411 0.000 A 14 GLY CA C 13 46.460 0.000 A 14 GLY N N 15 107.674 0.024 A 15 PHE H H 1 6.655 0.003 A 15 PHE HA H 1 5.044 0.024 A 15 PHE HB2 H 1 2.801 0.026 A 15 PHE HB3 H 1 2.929 0.015 A 15 PHE C C 13 171.846 0.000 A 15 PHE CA C 13 55.320 0.000 A 15 PHE CB C 13 41.882 0.002 A 15 PHE N N 15 112.634 0.016 A 16 GLY H H 1 8.018 0.015 A 16 GLY HA2 H 1 3.867 0.001 A 16 GLY HA3 H 1 3.867 0.001 A 16 GLY C C 13 170.465 0.000 A 16 GLY CA C 13 45.210 0.000 A 16 GLY N N 15 105.546 0.001 A 17 PHE H H 1 7.746 0.003 A 17 PHE HA H 1 5.169 0.036 A 17 PHE HB2 H 1 2.168 0.019 A 17 PHE HB3 H 1 2.551 0.017 A 17 PHE C C 13 174.567 0.000 A 17 PHE CA C 13 56.740 0.014 A 17 PHE CB C 13 45.922 0.022 A 17 PHE N N 15 114.706 0.005 A 18 ILE H H 1 9.414 0.002 A 18 ILE HA H 1 4.135 0.007 A 18 ILE HB H 1 1.003 0.005 A 18 ILE HD1% H 1 -0.199 0.004 A 18 ILE HG12 H 1 0.281 0.002 A 18 ILE HG13 H 1 1.145 0.007 A 18 ILE HG2% H 1 0.288 0.007 A 18 ILE C C 13 174.418 0.000 A 18 ILE CA C 13 59.917 0.087 A 18 ILE CB C 13 41.519 0.014 A 18 ILE CD1 C 13 13.643 0.018 A 18 ILE CG1 C 13 28.065 0.035 A 18 ILE CG2 C 13 18.141 0.055 A 18 ILE N N 15 122.670 0.028 A 19 GLU H H 1 9.271 0.005 A 19 GLU HA H 1 4.930 0.012 A 19 GLU HB2 H 1 1.997 0.016 A 19 GLU HB3 H 1 2.021 0.014 A 19 GLU HG2 H 1 2.272 0.010 A 19 GLU HG3 H 1 2.308 0.000 A 19 GLU C C 13 175.136 0.000 A 19 GLU CA C 13 55.031 0.168 A 19 GLU CB C 13 32.398 0.000 A 19 GLU CG C 13 36.079 0.007 A 19 GLU N N 15 126.801 0.023 A 20 ARG H H 1 9.427 0.003 A 20 ARG HA H 1 4.169 0.011 A 20 ARG HB2 H 1 2.111 0.007 A 20 ARG HB3 H 1 2.111 0.007 A 20 ARG HG2 H 1 2.517 0.005 A 20 ARG HG3 H 1 2.517 0.005 A 20 ARG C C 13 176.313 0.000 A 20 ARG CA C 13 55.071 0.150 A 20 ARG CB C 13 33.049 0.040 A 20 ARG CG C 13 31.165 0.069 A 20 ARG N N 15 123.599 0.033 A 21 GLU H H 1 9.065 0.002 A 21 GLU HA H 1 4.123 0.003 A 21 GLU HB2 H 1 2.058 0.007 A 21 GLU HB3 H 1 2.274 0.014 A 21 GLU HG2 H 1 2.289 0.000 A 21 GLU HG3 H 1 2.395 0.008 A 21 GLU C C 13 177.242 0.000 A 21 GLU CA C 13 58.758 0.021 A 21 GLU CB C 13 29.867 0.027 A 21 GLU CG C 13 36.353 0.113 A 21 GLU N N 15 121.362 0.034 A 22 ASN H H 1 8.280 0.004 A 22 ASN HA H 1 4.757 0.014 A 22 ASN HB2 H 1 2.836 0.010 A 22 ASN HB3 H 1 2.913 0.001 A 22 ASN HD21 H 1 7.542 0.000 A 22 ASN HD22 H 1 6.837 0.001 A 22 ASN C C 13 174.890 0.000 A 22 ASN CA C 13 53.260 0.000 A 22 ASN CB C 13 39.030 0.000 A 22 ASN N N 15 115.125 0.009 A 22 ASN ND2 N 15 112.357 0.001 A 23 GLY H H 1 7.875 0.003 A 23 GLY HA2 H 1 3.961 0.012 A 23 GLY HA3 H 1 3.961 0.012 A 23 GLY C C 13 173.040 0.000 A 23 GLY CA C 13 44.629 0.133 A 23 GLY N N 15 107.628 0.014 A 24 ASP H H 1 8.388 0.002 A 24 ASP HA H 1 4.626 0.009 A 24 ASP HB2 H 1 2.593 0.010 A 24 ASP HB3 H 1 2.856 0.011 A 24 ASP C C 13 175.861 0.000 A 24 ASP CA C 13 54.066 0.041 A 24 ASP CB C 13 41.687 0.151 A 24 ASP N N 15 119.673 0.033 A 25 ASP H H 1 8.615 0.002 A 25 ASP HA H 1 5.033 0.034 A 25 ASP HB2 H 1 2.842 0.014 A 25 ASP HB3 H 1 2.842 0.014 A 25 ASP C C 13 176.182 0.000 A 25 ASP CA C 13 54.860 0.000 A 25 ASP CB C 13 42.299 0.061 A 25 ASP N N 15 120.475 0.009 A 26 VAL H H 1 9.290 0.002 A 26 VAL HA H 1 4.342 0.010 A 26 VAL HB H 1 1.633 0.007 A 26 VAL HG1% H 1 0.722 0.006 A 26 VAL HG2% H 1 0.900 0.005 A 26 VAL C C 13 174.564 0.000 A 26 VAL CA C 13 60.578 0.043 A 26 VAL CB C 13 34.855 0.006 A 26 VAL CG1 C 13 21.902 0.030 A 26 VAL CG2 C 13 21.172 0.137 A 26 VAL N N 15 120.104 0.035 A 27 PHE H H 1 8.356 0.003 A 27 PHE HA H 1 3.737 0.012 A 27 PHE HB2 H 1 2.716 0.010 A 27 PHE HB3 H 1 3.008 0.002 A 27 PHE HD1 H 1 6.719 0.001 A 27 PHE HD2 H 1 6.719 0.001 A 27 PHE C C 13 172.750 0.000 A 27 PHE CA C 13 58.906 0.000 A 27 PHE CB C 13 40.230 0.000 A 27 PHE CD1 C 13 132.255 0.069 A 27 PHE CD2 C 13 132.255 0.069 A 27 PHE N N 15 130.351 0.019 A 28 VAL H H 1 7.738 0.003 A 28 VAL HA H 1 4.406 0.020 A 28 VAL HB H 1 1.358 0.013 A 28 VAL HG1% H 1 0.500 0.003 A 28 VAL HG2% H 1 0.385 0.014 A 28 VAL C C 13 170.415 0.000 A 28 VAL CA C 13 57.733 0.034 A 28 VAL CB C 13 34.375 0.010 A 28 VAL CG1 C 13 22.892 0.033 A 28 VAL CG2 C 13 18.193 0.020 A 28 VAL N N 15 124.583 0.022 A 29 HIS H H 1 8.644 0.005 A 29 HIS HA H 1 4.762 0.018 A 29 HIS HB2 H 1 2.827 0.004 A 29 HIS HB3 H 1 3.084 0.022 A 29 HIS C C 13 177.292 0.000 A 29 HIS CA C 13 55.860 0.000 A 29 HIS CB C 13 33.550 0.050 A 29 HIS N N 15 127.671 0.010 A 30 PHE H H 1 8.293 0.002 A 30 PHE HA H 1 4.031 0.012 A 30 PHE HB2 H 1 3.159 0.021 A 30 PHE HB3 H 1 2.930 0.013 A 30 PHE HD1 H 1 6.934 0.000 A 30 PHE HD2 H 1 6.934 0.000 A 30 PHE C C 13 176.013 0.000 A 30 PHE CA C 13 59.970 0.084 A 30 PHE CB C 13 37.320 0.087 A 30 PHE CD1 C 13 131.107 0.000 A 30 PHE CD2 C 13 131.107 0.000 A 30 PHE N N 15 123.263 0.040 A 31 SER H H 1 7.604 0.002 A 31 SER HA H 1 3.864 0.007 A 31 SER HB2 H 1 3.505 0.002 A 31 SER HB3 H 1 3.553 0.011 A 31 SER C C 13 175.135 0.000 A 31 SER CA C 13 59.831 0.021 A 31 SER CB C 13 62.609 0.046 A 31 SER N N 15 117.100 0.018 A 32 ALA H H 1 8.034 0.001 A 32 ALA HA H 1 4.473 0.011 A 32 ALA HB% H 1 1.544 0.005 A 32 ALA C C 13 177.521 0.000 A 32 ALA CA C 13 52.214 0.055 A 32 ALA CB C 13 20.954 0.021 A 32 ALA N N 15 124.110 0.007 A 33 ILE H H 1 7.420 0.002 A 33 ILE HA H 1 3.870 0.003 A 33 ILE HB H 1 1.709 0.007 A 33 ILE HD1% H 1 0.293 0.009 A 33 ILE HG12 H 1 1.493 0.009 A 33 ILE HG2% H 1 0.694 0.007 A 33 ILE C C 13 175.648 0.000 A 33 ILE CA C 13 62.335 0.116 A 33 ILE CB C 13 37.897 0.020 A 33 ILE CD1 C 13 14.237 0.024 A 33 ILE CG1 C 13 27.819 0.082 A 33 ILE CG2 C 13 17.082 0.010 A 33 ILE N N 15 119.895 0.004 A 34 GLN H H 1 8.756 0.003 A 34 GLN HA H 1 4.329 0.006 A 34 GLN HB2 H 1 1.891 0.010 A 34 GLN HB3 H 1 2.107 0.005 A 34 GLN HE21 H 1 8.197 0.003 A 34 GLN HE22 H 1 7.025 0.001 A 34 GLN HG2 H 1 2.330 0.010 A 34 GLN HG3 H 1 2.330 0.010 A 34 GLN C C 13 176.188 0.000 A 34 GLN CA C 13 55.470 0.256 A 34 GLN CB C 13 29.679 0.022 A 34 GLN CG C 13 33.788 0.000 A 34 GLN N N 15 127.419 0.017 A 34 GLN NE2 N 15 114.550 0.027 A 35 GLY H H 1 8.413 0.004 A 35 GLY HA2 H 1 3.789 0.002 A 35 GLY HA3 H 1 3.789 0.002 A 35 GLY C C 13 173.464 0.000 A 35 GLY CA C 13 44.582 0.000 A 35 GLY N N 15 110.056 0.010 A 36 ASP H H 1 8.318 0.005 A 36 ASP HA H 1 4.760 0.021 A 36 ASP HB2 H 1 2.596 0.009 A 36 ASP HB3 H 1 2.673 0.006 A 36 ASP C C 13 176.683 0.000 A 36 ASP CA C 13 53.892 0.000 A 36 ASP CB C 13 41.969 0.061 A 36 ASP N N 15 119.951 0.059 A 37 GLY H H 1 8.328 0.011 A 37 GLY HA2 H 1 3.823 0.004 A 37 GLY HA3 H 1 3.823 0.004 A 37 GLY C C 13 173.823 0.000 A 37 GLY CA C 13 44.777 0.000 A 37 GLY N N 15 108.637 0.014 A 38 PHE H H 1 8.159 0.002 A 38 PHE HA H 1 4.437 0.011 A 38 PHE HB2 H 1 2.955 0.007 A 38 PHE HB3 H 1 2.955 0.007 A 38 PHE C C 13 176.130 0.000 A 38 PHE CA C 13 57.899 0.111 A 38 PHE CB C 13 38.978 0.022 A 38 PHE N N 15 120.574 0.009 A 39 LYS H H 1 8.281 0.002 A 39 LYS HA H 1 4.219 0.015 A 39 LYS HB2 H 1 1.328 0.003 A 39 LYS HB3 H 1 1.374 0.009 A 39 LYS HD2 H 1 1.686 0.024 A 39 LYS HD3 H 1 1.686 0.024 A 39 LYS HE2 H 1 3.007 0.001 A 39 LYS HE3 H 1 3.007 0.001 A 39 LYS HG2 H 1 1.295 0.005 A 39 LYS HG3 H 1 1.422 0.005 A 39 LYS C C 13 174.139 0.000 A 39 LYS CA C 13 55.616 0.161 A 39 LYS CB C 13 32.390 0.000 A 39 LYS CD C 13 28.790 0.000 A 39 LYS CE C 13 42.200 0.000 A 39 LYS CG C 13 24.419 0.062 A 39 LYS N N 15 125.210 0.028 A 40 SER H H 1 7.550 0.002 A 40 SER HA H 1 3.924 0.018 A 40 SER HB2 H 1 3.497 0.006 A 40 SER HB3 H 1 3.540 0.009 A 40 SER C C 13 171.892 0.000 A 40 SER CA C 13 56.418 0.017 A 40 SER CB C 13 64.238 0.107 A 40 SER N N 15 113.646 0.028 A 41 LEU H H 1 5.975 0.002 A 41 LEU HA H 1 4.387 0.004 A 41 LEU HB2 H 1 0.479 0.006 A 41 LEU HB3 H 1 1.027 0.003 A 41 LEU HD1% H 1 0.232 0.010 A 41 LEU HD2% H 1 0.489 0.006 A 41 LEU HG H 1 0.778 0.009 A 41 LEU C C 13 174.127 0.000 A 41 LEU CA C 13 52.783 0.180 A 41 LEU CB C 13 45.968 0.239 A 41 LEU CD1 C 13 25.551 0.033 A 41 LEU CD2 C 13 23.074 0.049 A 41 LEU CG C 13 26.159 0.026 A 41 LEU N N 15 119.035 0.043 A 42 ASP H H 1 8.264 0.004 A 42 ASP HA H 1 4.833 0.009 A 42 ASP HB2 H 1 2.354 0.002 A 42 ASP HB3 H 1 2.630 0.001 A 42 ASP C C 13 175.645 0.000 A 42 ASP CA C 13 52.608 0.000 A 42 ASP CB C 13 42.801 0.045 A 42 ASP N N 15 119.827 0.054 A 43 GLU H H 1 8.676 0.006 A 43 GLU HA H 1 3.546 0.006 A 43 GLU HB2 H 1 2.141 0.014 A 43 GLU HB3 H 1 2.006 0.004 A 43 GLU HG2 H 1 2.271 0.006 A 43 GLU HG3 H 1 2.549 0.006 A 43 GLU C C 13 177.348 0.000 A 43 GLU CA C 13 58.276 0.014 A 43 GLU CB C 13 29.379 0.080 A 43 GLU CG C 13 35.944 0.036 A 43 GLU N N 15 120.722 0.016 A 44 GLY H H 1 9.052 0.002 A 44 GLY HA2 H 1 4.314 0.001 A 44 GLY HA3 H 1 4.314 0.001 A 44 GLY C C 13 173.863 0.000 A 44 GLY CA C 13 44.865 0.146 A 44 GLY N N 15 113.780 0.025 A 45 GLN H H 1 7.693 0.002 A 45 GLN HA H 1 4.161 0.006 A 45 GLN HB2 H 1 1.996 0.003 A 45 GLN HB3 H 1 2.231 0.008 A 45 GLN HE21 H 1 7.502 0.000 A 45 GLN HE22 H 1 6.703 0.006 A 45 GLN HG2 H 1 2.265 0.010 A 45 GLN HG3 H 1 2.298 0.005 A 45 GLN C C 13 175.485 0.000 A 45 GLN CA C 13 55.902 0.086 A 45 GLN CB C 13 30.492 0.033 A 45 GLN CG C 13 33.440 0.077 A 45 GLN N N 15 120.501 0.005 A 45 GLN NE2 N 15 111.610 0.008 A 46 ALA H H 1 8.924 0.002 A 46 ALA HA H 1 4.979 0.008 A 46 ALA HB% H 1 1.509 0.002 A 46 ALA C C 13 178.200 0.000 A 46 ALA CA C 13 52.299 0.012 A 46 ALA CB C 13 18.947 0.015 A 46 ALA N N 15 130.602 0.031 A 47 VAL H H 1 8.705 0.004 A 47 VAL HA H 1 5.420 0.003 A 47 VAL HB H 1 2.178 0.007 A 47 VAL HG1% H 1 0.535 0.005 A 47 VAL HG2% H 1 0.638 0.007 A 47 VAL C C 13 175.545 0.000 A 47 VAL CA C 13 58.798 0.107 A 47 VAL CB C 13 37.068 0.100 A 47 VAL CG1 C 13 23.420 0.000 A 47 VAL CG2 C 13 18.501 0.015 A 47 VAL N N 15 115.106 0.014 A 48 THR H H 1 9.050 0.005 A 48 THR HA H 1 5.432 0.004 A 48 THR HB H 1 4.112 0.005 A 48 THR HG2% H 1 1.099 0.009 A 48 THR C C 13 173.871 0.000 A 48 THR CA C 13 59.986 0.160 A 48 THR CB C 13 71.181 0.011 A 48 THR CG2 C 13 20.887 0.009 A 48 THR N N 15 112.990 0.088 A 49 PHE H H 1 8.148 0.005 A 49 PHE HA H 1 5.027 0.005 A 49 PHE HB2 H 1 3.023 0.005 A 49 PHE HB3 H 1 3.249 0.007 A 49 PHE C C 13 171.959 0.000 A 49 PHE CA C 13 56.433 0.031 A 49 PHE CB C 13 39.766 0.048 A 49 PHE N N 15 115.845 0.009 A 50 ASP H H 1 8.865 0.002 A 50 ASP HA H 1 5.211 0.004 A 50 ASP HB2 H 1 2.412 0.009 A 50 ASP HB3 H 1 2.684 0.034 A 50 ASP C C 13 175.646 0.000 A 50 ASP CA C 13 52.596 0.045 A 50 ASP CB C 13 43.925 0.056 A 50 ASP N N 15 118.155 0.018 A 51 VAL H H 1 8.723 0.003 A 51 VAL HA H 1 4.779 0.006 A 51 VAL HB H 1 1.961 0.003 A 51 VAL HG1% H 1 0.899 0.004 A 51 VAL HG2% H 1 1.020 0.003 A 51 VAL C C 13 175.099 0.000 A 51 VAL CA C 13 61.697 0.000 A 51 VAL CB C 13 33.946 0.008 A 51 VAL CG1 C 13 23.225 0.043 A 51 VAL CG2 C 13 21.599 0.104 A 51 VAL N N 15 120.517 0.042 A 52 GLU H H 1 9.129 0.005 A 52 GLU HA H 1 4.735 0.002 A 52 GLU HB2 H 1 1.885 0.002 A 52 GLU HB3 H 1 1.953 0.009 A 52 GLU HG2 H 1 2.116 0.000 A 52 GLU HG3 H 1 2.148 0.006 A 52 GLU C C 13 175.139 0.000 A 52 GLU CA C 13 53.902 0.000 A 52 GLU CB C 13 32.655 0.076 A 52 GLU CG C 13 35.421 0.000 A 52 GLU N N 15 127.198 0.032 A 53 GLU H H 1 8.726 0.001 A 53 GLU HA H 1 4.328 0.006 A 53 GLU HB2 H 1 1.893 0.009 A 53 GLU HB3 H 1 2.012 0.007 A 53 GLU HG2 H 1 2.237 0.006 A 53 GLU HG3 H 1 2.278 0.010 A 53 GLU C C 13 176.524 0.000 A 53 GLU CA C 13 56.380 0.065 A 53 GLU CB C 13 29.500 0.093 A 53 GLU CG C 13 35.781 0.051 A 53 GLU N N 15 123.170 0.017 A 54 GLY H H 1 7.941 0.002 A 54 GLY HA2 H 1 4.343 0.023 A 54 GLY HA3 H 1 4.343 0.023 A 54 GLY C C 13 174.781 0.000 A 54 GLY CA C 13 44.306 0.000 A 54 GLY N N 15 112.491 0.044 A 55 GLN H H 1 8.370 0.002 A 55 GLN HA H 1 4.412 0.003 A 55 GLN HB2 H 1 1.919 0.014 A 55 GLN HB3 H 1 2.022 0.033 A 55 GLN HE21 H 1 7.195 0.003 A 55 GLN HE22 H 1 6.909 0.002 A 55 GLN HG2 H 1 2.432 0.006 A 55 GLN HG3 H 1 2.527 0.005 A 55 GLN C C 13 175.828 0.000 A 55 GLN CA C 13 56.220 0.000 A 55 GLN CB C 13 30.320 0.000 A 55 GLN CG C 13 32.080 0.113 A 55 GLN N N 15 122.070 0.008 A 55 GLN NE2 N 15 113.069 0.011 A 56 ARG H H 1 8.518 0.003 A 56 ARG HA H 1 4.328 0.005 A 56 ARG HB2 H 1 1.739 0.000 A 56 ARG HB3 H 1 1.976 0.000 A 56 ARG HG2 H 1 1.438 0.000 A 56 ARG HG3 H 1 1.295 0.000 A 56 ARG C C 13 175.537 0.000 A 56 ARG CA C 13 55.414 0.000 A 56 ARG CB C 13 29.717 0.000 A 56 ARG N N 15 116.689 0.026 A 57 GLY H H 1 7.475 0.002 A 57 GLY HA2 H 1 4.513 0.002 A 57 GLY HA3 H 1 4.513 0.002 A 57 GLY C C 13 171.735 0.000 A 57 GLY CA C 13 44.524 0.000 A 57 GLY N N 15 108.606 0.012 A 58 PRO HA H 1 4.777 0.008 A 58 PRO HB2 H 1 1.884 0.007 A 58 PRO HB3 H 1 2.279 0.002 A 58 PRO HD2 H 1 3.786 0.007 A 58 PRO HD3 H 1 3.617 0.000 A 58 PRO HG2 H 1 2.114 0.004 A 58 PRO HG3 H 1 2.275 0.004 A 58 PRO C C 13 176.667 0.000 A 58 PRO CA C 13 63.276 0.000 A 58 PRO CB C 13 32.565 0.177 A 58 PRO CD C 13 49.842 0.032 A 58 PRO CG C 13 27.665 0.040 A 59 GLN H H 1 9.155 0.003 A 59 GLN HA H 1 5.293 0.010 A 59 GLN HB2 H 1 2.066 0.004 A 59 GLN HB3 H 1 2.152 0.017 A 59 GLN HE21 H 1 7.747 0.002 A 59 GLN HE22 H 1 7.583 0.001 A 59 GLN HG2 H 1 2.322 0.006 A 59 GLN HG3 H 1 2.322 0.006 A 59 GLN C C 13 173.637 0.000 A 59 GLN CA C 13 53.776 0.020 A 59 GLN CB C 13 32.282 0.000 A 59 GLN CG C 13 33.012 0.016 A 59 GLN N N 15 121.103 0.036 A 59 GLN NE2 N 15 112.355 0.057 A 60 ALA H H 1 8.811 0.006 A 60 ALA HA H 1 4.925 0.010 A 60 ALA HB% H 1 0.861 0.005 A 60 ALA C C 13 176.239 0.000 A 60 ALA CA C 13 51.002 0.059 A 60 ALA CB C 13 20.531 0.066 A 60 ALA N N 15 123.710 0.014 A 61 ALA H H 1 9.201 0.001 A 61 ALA HA H 1 4.693 0.003 A 61 ALA HB% H 1 1.324 0.005 A 61 ALA C C 13 175.918 0.000 A 61 ALA CA C 13 50.312 0.007 A 61 ALA CB C 13 23.027 0.075 A 61 ALA N N 15 123.711 0.018 A 62 ASN H H 1 9.337 0.003 A 62 ASN HA H 1 4.247 0.008 A 62 ASN HB2 H 1 2.779 0.005 A 62 ASN HB3 H 1 2.932 0.010 A 62 ASN HD21 H 1 8.110 0.003 A 62 ASN HD22 H 1 6.724 0.003 A 62 ASN C C 13 173.741 0.000 A 62 ASN CA C 13 53.826 0.181 A 62 ASN CB C 13 37.320 0.120 A 62 ASN N N 15 118.664 0.010 A 62 ASN ND2 N 15 114.622 0.019 A 63 VAL H H 1 8.090 0.002 A 63 VAL HA H 1 4.456 0.007 A 63 VAL HB H 1 1.744 0.004 A 63 VAL HG1% H 1 0.614 0.005 A 63 VAL HG2% H 1 0.630 0.002 A 63 VAL C C 13 175.457 0.000 A 63 VAL CA C 13 62.869 0.015 A 63 VAL CB C 13 31.536 0.040 A 63 VAL CG1 C 13 22.662 0.159 A 63 VAL CG2 C 13 21.460 0.000 A 63 VAL N N 15 117.105 0.020 A 64 GLN H H 1 9.052 0.002 A 64 GLN HA H 1 4.790 0.004 A 64 GLN HB2 H 1 1.839 0.005 A 64 GLN HB3 H 1 2.009 0.005 A 64 GLN HE21 H 1 7.574 0.003 A 64 GLN HE22 H 1 7.264 0.005 A 64 GLN HG2 H 1 2.244 0.004 A 64 GLN HG3 H 1 2.244 0.004 A 64 GLN C C 13 175.304 0.000 A 64 GLN CA C 13 53.742 0.000 A 64 GLN CB C 13 32.370 0.096 A 64 GLN CG C 13 33.742 0.000 A 64 GLN N N 15 126.653 0.014 A 64 GLN NE2 N 15 112.996 0.027 A 65 LYS H H 1 8.628 0.003 A 65 LYS HA H 1 4.273 0.007 A 65 LYS HB2 H 1 1.858 0.002 A 65 LYS HB3 H 1 1.854 0.004 A 65 LYS HD2 H 1 1.650 0.006 A 65 LYS HD3 H 1 1.705 0.005 A 65 LYS HE2 H 1 2.927 0.004 A 65 LYS HE3 H 1 2.927 0.004 A 65 LYS HG2 H 1 1.124 0.006 A 65 LYS HG3 H 1 1.437 0.004 A 65 LYS C C 13 175.514 0.000 A 65 LYS CA C 13 57.989 0.212 A 65 LYS CB C 13 32.708 0.055 A 65 LYS CD C 13 29.310 0.044 A 65 LYS CE C 13 42.153 0.055 A 65 LYS CG C 13 25.872 0.150 A 65 LYS N N 15 122.351 0.026 A 66 ALA H H 1 8.103 0.001 A 66 ALA HA H 1 4.218 0.002 A 66 ALA HB% H 1 1.216 0.005 A 66 ALA C C 13 181.845 0.000 A 66 ALA CA C 13 52.956 0.040 A 66 ALA CB C 13 20.668 0.064 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 46 ALA HB% A 66 ALA HA 1.0 . 5.50 2 2 A 66 ALA HA A 48 THR HG1 1.0 . 4.31 3 3 A 47 VAL HA A 66 ALA HB% 1.0 . 3.42 4 4 A 66 ALA HB% A 48 THR HB 1.0 . 4.88 5 5 A 66 ALA HB% A 3 GLN HG2 1.0 . 4.14 6 5 A 66 ALA HB% A 3 GLN HG3 1.0 . 4.14 7 6 A 66 ALA HB% A 47 VAL HB 1.0 . 4.92 8 7 A 66 ALA HB% A 3 GLN HB3 1.0 . 4.99 9 8 A 46 ALA HB% A 66 ALA HB% 1.0 . 2.87 10 9 A 48 THR HG1 A 66 ALA HB% 1.0 . 2.84 11 10 A 66 ALA HB% A 47 VAL HG1% 1.0 . 4.68 12 11 A 47 VAL HA A 65 LYS HA 1.0 . 3.29 13 12 A 65 LYS HA A 47 VAL HG2% 1.0 . 4.71 14 13 A 47 VAL HG1% A 65 LYS HA 1.0 . 3.16 15 14 A 65 LYS HA A 65 LYS HG2 1.0 . 3.72 16 14 A 65 LYS HA A 65 LYS HG3 1.0 . 3.72 17 15 A 47 VAL HB A 65 LYS HA 1.0 . 4.15 18 16 A 65 LYS HA A 45 GLN HG3 1.0 . 5.02 19 17 A 65 LYS HA A 65 LYS HD3 1.0 . 3.38 20 18 A 65 LYS HA A 65 LYS HD2 1.0 . 3.82 21 19 A 65 LYS HD3 A 65 LYS HB2 1.0 . 2.91 22 20 A 47 VAL HG1% A 65 LYS HB2 1.0 . 4.55 23 21 A 45 GLN HG3 A 65 LYS HD2 1.0 . 4.12 24 22 A 65 LYS HD2 A 45 GLN HB2 1.0 . 4.61 25 23 A 48 THR HG1 A 64 GLN HB3 1.0 . 3.93 26 24 A 49 PHE HA A 63 VAL HA 1.0 . 3.73 27 25 A 63 VAL HA A 62 ASN HD21 1.0 . 5.50 28 26 A 63 VAL HA A 60 ALA HB% 1.0 . 5.50 29 27 A 63 VAL HA A 63 VAL HG1% 1.0 . 3.62 30 28 A 63 VAL HA A 63 VAL HG2% 1.0 . 3.62 31 29 A 33 ILE HA A 63 VAL HB 1.0 . 4.18 32 30 A 49 PHE HB2 A 63 VAL HG1% 1.0 . 4.44 33 31 A 33 ILE HA A 63 VAL HG2% 1.0 . 4.20 34 32 A 49 PHE HB2 A 63 VAL HG2% 1.0 . 4.44 35 33 A 61 ALA HB% A 50 ASP HB2 1.0 . 3.84 36 34 A 60 ALA HB% A 28 VAL HA 1.0 . 3.81 37 35 A 60 ALA HB% A 49 PHE HB2 1.0 . 4.30 38 36 A 60 ALA HB% A 49 PHE HB3 1.0 . 3.96 39 37 A 60 ALA HB% A 26 VAL HG1% 1.0 . 3.06 40 38 A 26 VAL HG1% A 59 GLN HA 1.0 . 3.70 41 39 A 59 GLN HA A 26 VAL HG2% 1.0 . 5.19 42 40 A 59 GLN HA A 59 GLN HG2 1.0 . 3.78 43 40 A 59 GLN HA A 59 GLN HG3 1.0 . 3.78 44 41 A 48 THR HG1 A 3 GLN HB2 1.0 . 4.08 45 42 A 3 GLN HA A 3 GLN HG2 1.0 . 3.50 46 42 A 3 GLN HG3 A 3 GLN HA 1.0 . 3.50 47 43 A 51 VAL HG1% A 53 GLU HA 1.0 . 5.03 48 44 A 26 VAL HG2% A 58 PRO HB2 1.0 . 3.80 49 45 A 26 VAL HG1% A 58 PRO HB2 1.0 . 4.27 50 46 A 26 VAL HG2% A 58 PRO HG2 1.0 . 3.66 51 47 A 26 VAL HG2% A 26 VAL HA 1.0 . 3.44 52 48 A 51 VAL HA A 51 VAL HG2% 1.0 . 4.02 53 49 A 51 VAL HA A 50 ASP HA 1.0 . 4.54 54 50 A 51 VAL HG1% A 50 ASP HA 1.0 . 4.55 55 51 A 61 ALA HB% A 50 ASP HA 1.0 . 5.07 56 52 A 49 PHE HA A 60 ALA HB% 1.0 . 4.64 57 53 A 63 VAL HA A 49 PHE HB3 1.0 . 5.21 58 54 A 63 VAL HA A 49 PHE HB2 1.0 . 4.40 59 55 A 3 GLN HE21 A 48 THR HA 1.0 . 4.26 60 56 A 48 THR HB A 3 GLN HA 1.0 . 4.94 61 57 A 48 THR HB A 64 GLN HB3 1.0 . 4.10 62 58 A 48 THR HB A 49 PHE HB2 1.0 . 5.37 63 59 A 47 VAL HA A 65 LYS HB2 1.0 . 5.50 64 60 A 47 VAL HA A 65 LYS HB3 1.0 . 5.50 65 61 A 47 VAL HA A 65 LYS HD3 1.0 . 4.75 66 62 A 48 THR HG1 A 48 THR HA 1.0 . 3.34 67 63 A 47 VAL HA A 47 VAL HG1% 1.0 . 3.04 68 64 A 47 VAL HA A 47 VAL HG2% 1.0 . 3.64 69 65 A 47 VAL HB A 6 VAL HG2% 1.0 . 4.72 70 66 A 5 THR HG1 A 46 ALA HA 1.0 . 3.95 71 67 A 46 ALA HB% A 5 THR HA 1.0 . 3.63 72 68 A 46 ALA HB% A 47 VAL HA 1.0 . 4.51 73 69 A 46 ALA HB% A 3 GLN HG2 1.0 . 4.73 74 69 A 46 ALA HB% A 3 GLN HG3 1.0 . 4.73 75 70 A 46 ALA HB% A 45 GLN HG3 1.0 . 4.59 76 71 A 46 ALA HB% A 3 GLN HB2 1.0 . 5.35 77 72 A 46 ALA HB% A 5 THR HG1 1.0 . 3.75 78 73 A 46 ALA HB% A 45 GLN HA 1.0 . 4.30 79 74 A 5 THR HG1 A 45 GLN HA 1.0 . 5.49 80 75 A 6 VAL HG2% A 45 GLN HA 1.0 . 4.79 81 76 A 47 VAL HG1% A 45 GLN HA 1.0 . 4.69 82 77 A 45 GLN HA A 45 GLN HG2 1.0 . 3.78 83 78 A 45 GLN HG3 A 45 GLN HA 1.0 . 3.95 84 79 A 6 VAL HG1% A 43 GLU HA 1.0 . 3.33 85 80 A 6 VAL HG2% A 43 GLU HA 1.0 . 4.32 86 81 A 43 GLU HA A 8 TRP HA 1.0 . 4.48 87 82 A 43 GLU HA A 6 VAL HB 1.0 . 3.74 88 83 A 42 ASP HB2 A 45 GLN HB3 1.0 . 4.18 89 84 A 41 LEU HA A 41 LEU HG 1.0 . 3.80 90 85 A 41 LEU HA A 41 LEU HD2% 1.0 . 4.03 91 86 A 41 LEU HA A 41 LEU HD1% 1.0 . 4.03 92 87 A 6 VAL HG2% A 41 LEU HB2 1.0 . 4.46 93 88 A 33 ILE HD1% A 40 SER HA 1.0 . 4.61 94 89 A 11 ALA HB% A 40 SER HB2 1.0 . 5.50 95 90 A 11 ALA HB% A 40 SER HB3 1.0 . 5.50 96 91 A 33 ILE HB A 39 LYS HA 1.0 . 3.98 97 92 A 39 LYS HA A 33 ILE HG2% 1.0 . 4.28 98 93 A 33 ILE HG2% A 34 GLN HA 1.0 . 4.58 99 94 A 33 ILE HA A 33 ILE HG2% 1.0 . 3.51 100 95 A 33 ILE HA A 33 ILE HD1% 1.0 . 3.89 101 96 A 32 ALA HA A 61 ALA HA 1.0 . 4.56 102 97 A 33 ILE HD1% A 32 ALA HB% 1.0 . 5.14 103 98 A 32 ALA HB% A 62 ASN HA 1.0 . 4.63 104 99 A 61 ALA HA A 32 ALA HB% 1.0 . 3.17 105 100 A 58 PRO HB2 A 26 VAL HA 1.0 . 4.73 106 101 A 7 LYS HB2 A 19 GLU HB3 1.0 . 4.91 107 102 A 18 ILE HB A 26 VAL HB 1.0 . 3.61 108 103 A 26 VAL HB A 18 ILE HG2% 1.0 . 4.27 109 104 A 26 VAL HG1% A 26 VAL HA 1.0 . 3.77 110 105 A 26 VAL HG1% A 51 VAL HA 1.0 . 4.35 111 106 A 26 VAL HG1% A 60 ALA HA 1.0 . 4.11 112 107 A 26 VAL HG1% A 58 PRO HG2 1.0 . 4.59 113 108 A 26 VAL HG1% A 20 ARG HB2 1.0 . 5.50 114 108 A 26 VAL HG1% A 20 ARG HB3 1.0 . 5.50 115 109 A 26 VAL HG1% A 18 ILE HG12 1.0 . 5.01 116 110 A 46 ALA HA A 45 GLN HA 1.0 . 4.44 117 111 A 26 VAL HB A 20 ARG HG2 1.0 . 5.50 118 111 A 26 VAL HB A 20 ARG HG3 1.0 . 5.50 119 112 A 26 VAL HG2% A 20 ARG HB2 1.0 . 4.09 120 112 A 26 VAL HG2% A 20 ARG HB3 1.0 . 4.09 121 113 A 7 LYS HB3 A 19 GLU HA 1.0 . 5.50 122 114 A 47 VAL HA A 64 GLN HB3 1.0 . 5.50 123 115 A 64 GLN HB3 A 48 THR HA 1.0 . 5.50 124 116 A 19 GLU HA A 19 GLU HG3 1.0 . 4.00 125 117 A 19 GLU HA A 19 GLU HG2 1.0 . 3.99 126 118 A 18 ILE HA A 18 ILE HG13 1.0 . 4.15 127 119 A 6 VAL HG2% A 18 ILE HA 1.0 . 4.49 128 120 A 6 VAL HG1% A 18 ILE HA 1.0 . 4.10 129 121 A 26 VAL HG1% A 18 ILE HB 1.0 . 4.15 130 122 A 6 VAL HG1% A 18 ILE HB 1.0 . 5.50 131 123 A 18 ILE HB A 28 VAL HG2% 1.0 . 5.50 132 124 A 47 VAL HG2% A 18 ILE HB 1.0 . 5.50 133 125 A 6 VAL HG1% A 18 ILE HG12 1.0 . 4.17 134 126 A 6 VAL HG2% A 18 ILE HG12 1.0 . 4.33 135 127 A 18 ILE HG12 A 6 VAL HA 1.0 . 4.84 136 128 A 18 ILE HG12 A 16 GLY HA2 1.0 . 4.98 137 128 A 18 ILE HG12 A 16 GLY HA3 1.0 . 4.98 138 129 A 6 VAL HG1% A 18 ILE HG2% 1.0 . 3.59 139 130 A 47 VAL HG2% A 18 ILE HG2% 1.0 . 3.78 140 131 A 47 VAL HG1% A 18 ILE HG2% 1.0 . 4.99 141 132 A 26 VAL HG1% A 18 ILE HG2% 1.0 . 4.63 142 133 A 6 VAL HG2% A 18 ILE HG2% 1.0 . 3.77 143 134 A 18 ILE HG2% A 18 ILE HG13 1.0 . 3.90 144 135 A 18 ILE HG2% A 7 LYS HB3 1.0 . 5.20 145 136 A 18 ILE HG2% A 18 ILE HA 1.0 . 3.37 146 137 A 18 ILE HG2% A 4 GLY HA2 1.0 . 4.00 147 137 A 18 ILE HG2% A 4 GLY HA3 1.0 . 4.00 148 138 A 18 ILE HG2% A 19 GLU HA 1.0 . 4.32 149 139 A 49 PHE HA A 62 ASN HD21 1.0 . 4.78 150 140 A 6 VAL HG1% A 43 GLU HB2 1.0 . 4.63 151 141 A 65 LYS HB2 A 65 LYS HE2 1.0 . 4.29 152 141 A 65 LYS HB2 A 65 LYS HE3 1.0 . 4.29 153 142 A 65 LYS HE2 A 65 LYS HG2 1.0 . 3.46 154 142 A 65 LYS HE3 A 65 LYS HG2 1.0 . 3.46 155 142 A 65 LYS HG3 A 65 LYS HE2 1.0 . 3.46 156 142 A 65 LYS HG3 A 65 LYS HE3 1.0 . 3.46 157 143 A 41 LEU HA A 65 LYS HE2 1.0 . 4.93 158 143 A 41 LEU HA A 65 LYS HE3 1.0 . 4.93 159 144 A 45 GLN HB2 A 65 LYS HE2 1.0 . 4.90 160 144 A 45 GLN HB2 A 65 LYS HE3 1.0 . 4.90 161 145 A 6 VAL HG1% A 7 LYS HA 1.0 . 4.22 162 146 A 45 GLN HG3 A 65 LYS HG2 1.0 . 5.39 163 146 A 65 LYS HG3 A 45 GLN HG3 1.0 . 5.39 164 147 A 47 VAL HG1% A 65 LYS HG2 1.0 . 4.54 165 147 A 47 VAL HG1% A 65 LYS HG3 1.0 . 4.54 166 148 A 18 ILE HG13 A 6 VAL HA 1.0 . 4.84 167 149 A 18 ILE HB A 6 VAL HA 1.0 . 4.73 168 150 A 47 VAL HG1% A 6 VAL HA 1.0 . 5.50 169 151 A 6 VAL HG1% A 6 VAL HA 1.0 . 3.47 170 152 A 18 ILE HG2% A 6 VAL HA 1.0 . 3.79 171 153 A 47 VAL HG1% A 6 VAL HB 1.0 . 4.91 172 154 A 6 VAL HG2% A 41 LEU HD1% 1.0 . 3.42 173 155 A 6 VAL HG2% A 45 GLN HB3 1.0 . 3.84 174 156 A 45 GLN HG3 A 6 VAL HG2% 1.0 . 3.63 175 157 A 6 VAL HG2% A 6 VAL HA 1.0 . 3.41 176 158 A 6 VAL HG2% A 41 LEU HA 1.0 . 4.60 177 159 A 6 VAL HG2% A 45 GLN HE22 1.0 . 4.72 178 160 A 6 VAL HG1% A 43 GLU HB3 1.0 . 4.44 179 161 A 6 VAL HG1% A 8 TRP HA 1.0 . 4.48 180 162 A 60 ALA HB% A 28 VAL HB 1.0 . 3.89 181 163 A 46 ALA HA A 5 THR HA 1.0 . 2.99 182 164 A 5 THR HA A 6 VAL HA 1.0 . 4.63 183 165 A 5 THR HA A 19 GLU HG2 1.0 . 5.44 184 166 A 5 THR HA A 45 GLN HG2 1.0 . 5.50 185 167 A 5 THR HG1 A 5 THR HA 1.0 . 3.10 186 168 A 6 VAL HG2% A 5 THR HA 1.0 . 4.29 187 169 A 47 VAL HG1% A 5 THR HA 1.0 . 4.88 188 170 A 47 VAL HG2% A 5 THR HA 1.0 . 4.46 189 171 A 5 THR HA A 18 ILE HG2% 1.0 . 4.33 190 172 A 47 VAL HG2% A 3 GLN HA 1.0 . 5.33 191 173 A 3 GLN HB3 A 3 GLN HG2 1.0 . 2.75 192 173 A 3 GLN HG3 A 3 GLN HB3 1.0 . 2.75 193 174 A 3 GLN HB2 A 3 GLN HG2 1.0 . 2.55 194 174 A 3 GLN HG3 A 3 GLN HB2 1.0 . 2.55 195 175 A 66 ALA HA A 47 VAL HA 1.0 . 4.78 196 176 A 65 LYS HD2 A 65 LYS HB2 1.0 . 3.72 197 177 A 33 ILE HA A 63 VAL HG1% 1.0 . 4.20 198 178 A 61 ALA HA A 62 ASN HA 1.0 . 4.59 199 179 A 61 ALA HB% A 62 ASN HA 1.0 . 4.73 200 180 A 61 ALA HB% A 62 ASN HB3 1.0 . 5.01 201 181 A 61 ALA HB% A 32 ALA HA 1.0 . 5.50 202 182 A 61 ALA HB% A 60 ALA HA 1.0 . 4.78 203 183 A 61 ALA HB% A 62 ASN HB2 1.0 . 5.01 204 184 A 60 ALA HB% A 61 ALA HB% 1.0 . 4.57 205 185 A 34 GLN HA A 35 GLY HA2 1.0 . 4.52 206 185 A 34 GLN HA A 35 GLY HA3 1.0 . 4.52 207 186 A 34 GLN HA A 34 GLN HG2 1.0 . 3.51 208 186 A 34 GLN HA A 34 GLN HG3 1.0 . 3.51 209 187 A 50 ASP HA A 51 VAL HB 1.0 . 4.52 210 188 A 51 VAL HG2% A 50 ASP HA 1.0 . 5.50 211 189 A 3 GLN HA A 48 THR HA 1.0 . 3.13 212 190 A 3 GLN HA A 3 GLN HE21 1.0 . 4.41 213 191 A 3 GLN HB3 A 48 THR HA 1.0 . 4.37 214 192 A 48 THR HA A 3 GLN HG2 1.0 . 4.36 215 192 A 3 GLN HG3 A 48 THR HA 1.0 . 4.36 216 193 A 47 VAL HA A 6 VAL HG2% 1.0 . 5.50 217 194 A 47 VAL HB A 3 GLN HE21 1.0 . 5.50 218 195 A 45 GLN HG2 A 45 GLN HB3 1.0 . 2.92 219 196 A 47 VAL HG1% A 45 GLN HG3 1.0 . 3.46 220 197 A 45 GLN HE22 A 41 LEU HD1% 1.0 . 6.28 221 198 A 18 ILE HA A 6 VAL HA 1.0 . 3.42 222 199 A 33 ILE HD1% A 39 LYS HA 1.0 . 4.90 223 200 A 45 GLN HB3 A 42 ASP HB3 1.0 . 4.63 224 201 A 53 GLU HA A 58 PRO HA 1.0 . 3.39 225 202 A 34 GLN HB3 A 34 GLN HG2 1.0 . 2.83 226 202 A 34 GLN HG3 A 34 GLN HB3 1.0 . 2.83 227 203 A 61 ALA HB% A 32 ALA HB% 1.0 . 3.69 228 204 A 26 VAL HG2% A 18 ILE HG2% 1.0 . 4.82 229 205 A 33 ILE HD1% A 30 PHE HA 1.0 . 4.48 230 206 A 3 GLN HB2 A 48 THR HA 1.0 . 4.60 231 207 A 47 VAL HG1% A 45 GLN HB3 1.0 . 4.27 232 208 A 55 GLN HA A 55 GLN HG2 1.0 . 4.08 233 209 A 55 GLN HA A 55 GLN HG3 1.0 . 4.08 234 210 A 20 ARG HA A 20 ARG HG2 1.0 . 3.64 235 210 A 20 ARG HG3 A 20 ARG HA 1.0 . 3.64 236 211 A 51 VAL HG1% A 2 GLU HB2 1.0 . 5.50 237 212 A 51 VAL HG1% A 2 GLU HB3 1.0 . 5.50 238 213 A 7 LYS HB3 A 7 LYS HE2 1.0 . 4.65 239 213 A 7 LYS HB3 A 7 LYS HE3 1.0 . 4.65 240 214 A 6 VAL HG2% A 18 ILE HG13 1.0 . 5.27 241 215 A 60 ALA HB% A 18 ILE HG13 1.0 . 5.50 242 216 A 18 ILE HG13 A 28 VAL HG2% 1.0 . 4.31 243 217 A 58 PRO HA A 53 GLU HB3 1.0 . 4.96 244 218 A 6 VAL HG1% A 45 GLN HB3 1.0 . 5.13 245 219 A 7 LYS HE2 A 7 LYS HG3 1.0 . 4.01 246 219 A 7 LYS HE3 A 7 LYS HG3 1.0 . 4.01 247 220 A 6 VAL HG2% A 41 LEU HD2% 1.0 . 3.42 248 221 A 45 GLN HE22 A 41 LEU HD2% 1.0 . 6.28 249 222 A 6 VAL HG2% A 41 LEU HB3 1.0 . 4.46 250 223 A 33 ILE HD1% A 33 ILE HG2% 1.0 . 3.25 251 224 A 33 ILE HD1% A 33 ILE HB 1.0 . 3.50 252 225 A 18 ILE HG13 A 28 VAL HG1% 1.0 . 4.31 253 226 A 18 ILE HB A 28 VAL HG1% 1.0 . 5.50 254 227 A 18 ILE HD1% A 28 VAL HG1% 1.0 . 3.92 255 228 A 53 GLU HA A 58 PRO HD3 1.0 . 4.75 256 229 A 58 PRO HG2 A 26 VAL HA 1.0 . 4.43 257 230 A 26 VAL HG2% A 58 PRO HG3 1.0 . 4.41 258 231 A 18 ILE HD1% A 28 VAL HG2% 1.0 . 3.92 259 232 A 47 VAL HG2% A 18 ILE HD1% 1.0 . 3.78 260 233 A 26 VAL HG1% A 18 ILE HD1% 1.0 . 4.02 261 234 A 6 VAL HG2% A 18 ILE HD1% 1.0 . 3.70 262 235 A 18 ILE HB A 18 ILE HD1% 1.0 . 3.61 263 236 A 28 VAL HB A 18 ILE HD1% 1.0 . 3.91 264 237 A 26 VAL HB A 18 ILE HD1% 1.0 . 4.57 265 238 A 6 VAL HA A 18 ILE HD1% 1.0 . 4.94 266 239 A 18 ILE HA A 18 ILE HD1% 1.0 . 4.50 267 240 A 28 VAL HA A 18 ILE HD1% 1.0 . 4.78 268 241 A 18 ILE HG2% A 18 ILE HD1% 1.0 . 3.29 269 242 A 60 ALA HB% A 18 ILE HD1% 1.0 . 3.53 270 243 A 7 LYS HB2 A 7 LYS HE2 1.0 . 2.94 271 243 A 7 LYS HB2 A 7 LYS HE3 1.0 . 2.94 272 244 A 19 GLU HB3 A 7 LYS HE2 1.0 . 4.59 273 244 A 19 GLU HB3 A 7 LYS HE3 1.0 . 4.59 274 245 A 19 GLU HG3 A 7 LYS HE2 1.0 . 4.82 275 245 A 19 GLU HG3 A 7 LYS HE3 1.0 . 4.82 276 246 A 7 LYS HE2 A 24 ASP HB2 1.0 . 4.59 277 246 A 7 LYS HE3 A 24 ASP HB2 1.0 . 4.59 278 246 A 24 ASP HB3 A 7 LYS HE2 1.0 . 4.59 279 246 A 7 LYS HE3 A 24 ASP HB3 1.0 . 4.59 280 247 A 7 LYS HA A 7 LYS HE2 1.0 . 4.35 281 247 A 7 LYS HA A 7 LYS HE3 1.0 . 4.35 282 248 A 24 ASP HA A 7 LYS HE2 1.0 . 5.50 283 248 A 7 LYS HE3 A 24 ASP HA 1.0 . 5.50 284 249 A 19 GLU HB3 A 7 LYS HB3 1.0 . 5.29 285 250 A 7 LYS HG2 A 7 LYS HE2 1.0 . 4.01 286 250 A 7 LYS HE3 A 7 LYS HG2 1.0 . 4.01 287 251 A 22 ASN HA A 23 GLY HA2 1.0 . 4.62 288 251 A 22 ASN HA A 23 GLY HA3 1.0 . 4.62 289 252 A 61 ALA HB% A 50 ASP HB3 1.0 . 3.84 290 253 A 63 VAL HB A 33 ILE HD1% 1.0 . 5.16 291 254 A 59 GLN HA A 27 PHE HB3 1.0 . 4.48 292 254 A 59 GLN HA A 27 PHE HB2 1.0 . 4.48 293 255 A 19 GLU HB3 A 5 THR HB 1.0 . 5.50 294 256 A 5 THR HB A 19 GLU HB2 1.0 . 5.50 295 257 A 19 GLU HB3 A 6 VAL HA 1.0 . 5.50 296 258 A 65 LYS H A 66 ALA H 1.0 . 4.56 297 259 A 66 ALA H A 47 VAL H 1.0 . 4.82 298 260 A 47 VAL HA A 66 ALA H 1.0 . 2.96 299 261 A 65 LYS HA A 66 ALA H 1.0 . 2.50 300 262 A 65 LYS HB3 A 66 ALA H 1.0 . 4.22 301 263 A 65 LYS HD3 A 66 ALA H 1.0 . 4.45 302 264 A 46 ALA HB% A 66 ALA H 1.0 . 4.40 303 265 A 66 ALA HB% A 66 ALA H 1.0 . 2.81 304 266 A 48 THR HG1 A 66 ALA H 1.0 . 4.25 305 267 A 47 VAL HG1% A 66 ALA H 1.0 . 3.31 306 268 A 47 VAL HA A 48 THR H 1.0 . 2.82 307 269 A 46 ALA HB% A 47 VAL H 1.0 . 3.44 308 270 A 46 ALA HB% A 46 ALA H 1.0 . 2.64 309 271 A 65 LYS HB2 A 65 LYS H 1.0 . 3.08 310 272 A 47 VAL HA A 65 LYS H 1.0 . 5.23 311 273 A 47 VAL HB A 65 LYS H 1.0 . 4.46 312 274 A 63 VAL H A 64 GLN H 1.0 . 4.50 313 275 A 47 VAL HA A 64 GLN H 1.0 . 5.04 314 276 A 48 THR HA A 64 GLN H 1.0 . 5.30 315 277 A 49 PHE HA A 64 GLN H 1.0 . 4.29 316 278 A 63 VAL HA A 64 GLN H 1.0 . 2.75 317 279 A 48 THR HB A 64 GLN H 1.0 . 4.43 318 280 A 49 PHE HB2 A 64 GLN H 1.0 . 5.08 319 281 A 47 VAL HB A 64 GLN H 1.0 . 3.99 320 282 A 64 GLN HB3 A 64 GLN H 1.0 . 3.53 321 283 A 64 GLN H A 64 GLN HB2 1.0 . 3.32 322 284 A 48 THR HG1 A 64 GLN H 1.0 . 4.45 323 285 A 63 VAL H A 62 ASN H 1.0 . 4.09 324 286 A 62 ASN HA A 63 VAL H 1.0 . 2.95 325 287 A 34 GLN HB3 A 63 VAL H 1.0 . 4.64 326 288 A 63 VAL HB A 63 VAL H 1.0 . 3.66 327 289 A 62 ASN H A 61 ALA H 1.0 . 4.34 328 290 A 61 ALA HA A 62 ASN H 1.0 . 2.81 329 291 A 32 ALA HA A 62 ASN H 1.0 . 3.77 330 292 A 62 ASN HA A 62 ASN H 1.0 . 2.68 331 293 A 62 ASN H A 62 ASN HB3 1.0 . 4.01 332 294 A 62 ASN H A 62 ASN HB2 1.0 . 4.01 333 295 A 32 ALA HB% A 62 ASN H 1.0 . 3.35 334 296 A 61 ALA HB% A 62 ASN H 1.0 . 3.33 335 297 A 61 ALA H A 50 ASP H 1.0 . 3.49 336 298 A 62 ASN HD21 A 61 ALA H 1.0 . 4.67 337 299 A 60 ALA HA A 61 ALA H 1.0 . 2.75 338 300 A 51 VAL HA A 61 ALA H 1.0 . 3.89 339 301 A 49 PHE HB3 A 61 ALA H 1.0 . 4.33 340 302 A 61 ALA H A 50 ASP HB2 1.0 . 4.66 341 303 A 61 ALA H A 50 ASP HB3 1.0 . 4.66 342 304 A 32 ALA HB% A 61 ALA H 1.0 . 4.42 343 305 A 61 ALA HB% A 61 ALA H 1.0 . 3.06 344 306 A 51 VAL HG2% A 61 ALA H 1.0 . 5.20 345 307 A 60 ALA HB% A 61 ALA H 1.0 . 3.21 346 308 A 26 VAL HG1% A 61 ALA H 1.0 . 5.50 347 309 A 59 GLN H A 60 ALA H 1.0 . 4.51 348 310 A 59 GLN HA A 60 ALA H 1.0 . 2.89 349 311 A 60 ALA H A 59 GLN HG2 1.0 . 4.14 350 311 A 59 GLN HG3 A 60 ALA H 1.0 . 4.14 351 312 A 51 VAL HG2% A 60 ALA H 1.0 . 4.56 352 313 A 60 ALA HB% A 60 ALA H 1.0 . 2.92 353 314 A 26 VAL HG1% A 60 ALA H 1.0 . 3.46 354 315 A 53 GLU HA A 59 GLN H 1.0 . 4.28 355 316 A 58 PRO HB2 A 59 GLN H 1.0 . 4.00 356 317 A 59 GLN H A 59 GLN HG2 1.0 . 3.50 357 317 A 59 GLN HG3 A 59 GLN H 1.0 . 3.50 358 318 A 26 VAL HG1% A 59 GLN H 1.0 . 4.88 359 319 A 59 GLN H A 59 GLN HB2 1.0 . 4.01 360 320 A 59 GLN H A 59 GLN HB3 1.0 . 4.01 361 321 A 58 PRO HD3 A 57 GLY H 1.0 . 4.50 362 322 A 57 GLY H A 56 ARG H 1.0 . 4.32 363 323 A 56 ARG H A 55 GLN H 1.0 . 3.79 364 324 A 55 GLN H A 54 GLY HA2 1.0 . 3.26 365 324 A 55 GLN H A 54 GLY HA3 1.0 . 3.26 366 325 A 55 GLN H A 55 GLN HG3 1.0 . 3.96 367 326 A 55 GLN H A 55 GLN HB2 1.0 . 3.75 368 327 A 55 GLN H A 55 GLN HB3 1.0 . 3.75 369 328 A 55 GLN H A 55 GLN HG2 1.0 . 3.96 370 329 A 58 PRO HA A 54 GLY H 1.0 . 3.10 371 330 A 53 GLU HA A 54 GLY H 1.0 . 2.97 372 331 A 53 GLU HB3 A 54 GLY H 1.0 . 4.02 373 332 A 54 GLY H A 53 GLU HB2 1.0 . 4.45 374 333 A 52 GLU HA A 53 GLU H 1.0 . 2.67 375 334 A 53 GLU HB2 A 53 GLU H 1.0 . 2.91 376 335 A 51 VAL HG1% A 53 GLU H 1.0 . 4.60 377 336 A 53 GLU HB3 A 53 GLU H 1.0 . 3.67 378 337 A 53 GLU H A 52 GLU H 1.0 . 4.18 379 338 A 51 VAL HG1% A 52 GLU H 1.0 . 3.50 380 339 A 51 VAL HG2% A 52 GLU H 1.0 . 3.89 381 340 A 51 VAL HA A 52 GLU H 1.0 . 2.89 382 341 A 52 GLU H A 52 GLU HB2 1.0 . 3.94 383 342 A 50 ASP H A 51 VAL H 1.0 . 4.30 384 343 A 52 GLU H A 51 VAL H 1.0 . 4.87 385 344 A 50 ASP HA A 51 VAL H 1.0 . 2.81 386 345 A 51 VAL HB A 51 VAL H 1.0 . 2.98 387 346 A 61 ALA HB% A 51 VAL H 1.0 . 5.50 388 347 A 51 VAL HG2% A 51 VAL H 1.0 . 3.85 389 348 A 51 VAL HG1% A 51 VAL H 1.0 . 3.43 390 349 A 50 ASP H A 49 PHE H 1.0 . 4.18 391 350 A 62 ASN HD21 A 50 ASP H 1.0 . 3.78 392 351 A 49 PHE HA A 50 ASP H 1.0 . 2.94 393 352 A 51 VAL HA A 50 ASP H 1.0 . 5.24 394 353 A 61 ALA HA A 50 ASP H 1.0 . 4.72 395 354 A 63 VAL HA A 50 ASP H 1.0 . 4.58 396 355 A 49 PHE HB3 A 50 ASP H 1.0 . 3.75 397 356 A 50 ASP H A 50 ASP HB3 1.0 . 3.56 398 357 A 50 ASP H A 50 ASP HB2 1.0 . 3.56 399 358 A 61 ALA HB% A 50 ASP H 1.0 . 3.82 400 359 A 60 ALA HB% A 50 ASP H 1.0 . 4.41 401 360 A 48 THR H A 49 PHE H 1.0 . 5.03 402 361 A 64 GLN H A 49 PHE H 1.0 . 5.40 403 362 A 48 THR HA A 49 PHE H 1.0 . 2.95 404 363 A 3 GLN HA A 49 PHE H 1.0 . 3.90 405 364 A 48 THR HB A 49 PHE H 1.0 . 3.80 406 365 A 3 GLN HB3 A 49 PHE H 1.0 . 4.10 407 366 A 48 THR HG1 A 49 PHE H 1.0 . 4.65 408 367 A 49 PHE H A 63 VAL HG1% 1.0 . 5.50 409 368 A 49 PHE H A 63 VAL HG2% 1.0 . 5.50 410 369 A 43 GLU HB3 A 44 GLY H 1.0 . 4.73 411 370 A 45 GLN HB3 A 44 GLY H 1.0 . 5.07 412 371 A 48 THR HB A 48 THR H 1.0 . 3.92 413 372 A 63 VAL HA A 48 THR H 1.0 . 4.89 414 373 A 48 THR H A 64 GLN HA 1.0 . 4.75 415 374 A 3 GLN HE21 A 48 THR H 1.0 . 4.29 416 375 A 66 ALA H A 48 THR H 1.0 . 3.83 417 376 A 65 LYS HA A 48 THR H 1.0 . 3.87 418 377 A 47 VAL H A 6 VAL H 1.0 . 4.00 419 378 A 47 VAL H A 48 THR H 1.0 . 4.40 420 379 A 3 GLN HE21 A 47 VAL H 1.0 . 4.30 421 380 A 5 THR HA A 47 VAL H 1.0 . 3.37 422 381 A 46 ALA HA A 47 VAL H 1.0 . 2.57 423 382 A 47 VAL H A 3 GLN HG2 1.0 . 5.23 424 382 A 3 GLN HG3 A 47 VAL H 1.0 . 5.23 425 383 A 47 VAL HB A 47 VAL H 1.0 . 4.20 426 384 A 66 ALA HB% A 47 VAL H 1.0 . 4.44 427 385 A 5 THR HG1 A 47 VAL H 1.0 . 4.70 428 386 A 6 VAL HG2% A 47 VAL H 1.0 . 4.14 429 387 A 47 VAL HG2% A 47 VAL H 1.0 . 2.82 430 388 A 18 ILE HG2% A 47 VAL H 1.0 . 4.51 431 389 A 47 VAL HG1% A 47 VAL H 1.0 . 3.44 432 390 A 47 VAL H A 46 ALA H 1.0 . 4.69 433 391 A 46 ALA H A 45 GLN H 1.0 . 4.66 434 392 A 45 GLN HA A 46 ALA H 1.0 . 2.52 435 393 A 45 GLN HG3 A 46 ALA H 1.0 . 3.42 436 394 A 45 GLN HB3 A 46 ALA H 1.0 . 4.36 437 395 A 65 LYS HD2 A 46 ALA H 1.0 . 5.20 438 396 A 66 ALA HB% A 46 ALA H 1.0 . 5.47 439 397 A 5 THR HG1 A 46 ALA H 1.0 . 4.89 440 398 A 44 GLY H A 45 GLN H 1.0 . 3.05 441 399 A 5 THR HA A 45 GLN H 1.0 . 5.18 442 400 A 45 GLN H A 44 GLY HA2 1.0 . 3.49 443 400 A 45 GLN H A 44 GLY HA3 1.0 . 3.49 444 401 A 6 VAL HB A 45 GLN H 1.0 . 2.80 445 402 A 45 GLN HB2 A 45 GLN H 1.0 . 4.02 446 403 A 45 GLN HB3 A 45 GLN H 1.0 . 2.80 447 404 A 6 VAL HG1% A 45 GLN H 1.0 . 3.93 448 405 A 47 VAL HG1% A 45 GLN H 1.0 . 4.92 449 406 A 6 VAL HG2% A 45 GLN H 1.0 . 3.36 450 407 A 45 GLN HG2 A 45 GLN H 1.0 . 3.15 451 408 A 42 ASP H A 43 GLU H 1.0 . 4.55 452 409 A 43 GLU H A 42 ASP HA 1.0 . 2.51 453 410 A 42 ASP HB3 A 43 GLU H 1.0 . 3.48 454 411 A 43 GLU H A 43 GLU HG2 1.0 . 3.39 455 412 A 43 GLU HB3 A 43 GLU H 1.0 . 2.91 456 413 A 6 VAL HG1% A 43 GLU H 1.0 . 3.82 457 414 A 43 GLU H A 43 GLU HG3 1.0 . 3.39 458 415 A 41 LEU HA A 42 ASP H 1.0 . 2.71 459 416 A 42 ASP HB2 A 42 ASP H 1.0 . 2.99 460 417 A 45 GLN HB3 A 42 ASP H 1.0 . 4.02 461 418 A 6 VAL HG2% A 42 ASP H 1.0 . 3.84 462 419 A 47 VAL HG1% A 42 ASP H 1.0 . 4.45 463 420 A 42 ASP H A 41 LEU H 1.0 . 4.56 464 421 A 41 LEU H A 41 LEU HB3 1.0 . 3.93 465 422 A 33 ILE HD1% A 41 LEU H 1.0 . 4.23 466 423 A 39 LYS H A 40 SER H 1.0 . 3.87 467 424 A 41 LEU H A 40 SER H 1.0 . 4.49 468 425 A 40 SER H A 38 PHE HA 1.0 . 4.85 469 426 A 39 LYS HA A 40 SER H 1.0 . 3.17 470 427 A 40 SER H A 40 SER HB2 1.0 . 4.05 471 428 A 40 SER H A 38 PHE HB2 1.0 . 4.03 472 428 A 40 SER H A 38 PHE HB3 1.0 . 4.03 473 429 A 40 SER H A 39 LYS HD2 1.0 . 3.50 474 429 A 40 SER H A 39 LYS HD3 1.0 . 3.50 475 430 A 33 ILE HG2% A 40 SER H 1.0 . 4.37 476 431 A 33 ILE HD1% A 40 SER H 1.0 . 4.52 477 432 A 40 SER H A 40 SER HB3 1.0 . 4.05 478 433 A 39 LYS H A 38 PHE HA 1.0 . 3.23 479 434 A 39 LYS H A 38 PHE HB2 1.0 . 4.05 480 434 A 39 LYS H A 38 PHE HB3 1.0 . 4.05 481 435 A 39 LYS H A 39 LYS HD2 1.0 . 3.63 482 435 A 39 LYS H A 39 LYS HD3 1.0 . 3.63 483 436 A 39 LYS H A 39 LYS HB3 1.0 . 4.10 484 437 A 37 GLY H A 38 PHE H 1.0 . 4.21 485 438 A 38 PHE H A 37 GLY HA2 1.0 . 3.45 486 438 A 38 PHE H A 37 GLY HA3 1.0 . 3.45 487 439 A 38 PHE H A 38 PHE HB2 1.0 . 2.98 488 439 A 38 PHE HB3 A 38 PHE H 1.0 . 2.98 489 440 A 37 GLY H A 36 ASP HB3 1.0 . 4.79 490 441 A 37 GLY H A 38 PHE HB2 1.0 . 5.50 491 441 A 38 PHE HB3 A 37 GLY H 1.0 . 5.50 492 442 A 36 ASP H A 35 GLY HA2 1.0 . 3.44 493 442 A 35 GLY HA3 A 36 ASP H 1.0 . 3.44 494 443 A 36 ASP H A 36 ASP HB2 1.0 . 3.72 495 444 A 34 GLN H A 35 GLY H 1.0 . 4.77 496 445 A 34 GLN HA A 35 GLY H 1.0 . 3.55 497 446 A 35 GLY H A 34 GLN HG2 1.0 . 4.30 498 446 A 34 GLN HG3 A 35 GLY H 1.0 . 4.30 499 447 A 35 GLY H A 34 GLN HB2 1.0 . 3.90 500 448 A 34 GLN HB3 A 35 GLY H 1.0 . 4.16 501 449 A 39 LYS HA A 34 GLN H 1.0 . 5.50 502 450 A 33 ILE HA A 34 GLN H 1.0 . 2.77 503 451 A 34 GLN H A 34 GLN HG2 1.0 . 3.11 504 451 A 34 GLN HG3 A 34 GLN H 1.0 . 3.11 505 452 A 34 GLN H A 34 GLN HB2 1.0 . 3.87 506 453 A 34 GLN HB3 A 34 GLN H 1.0 . 3.12 507 454 A 63 VAL HB A 34 GLN H 1.0 . 4.15 508 455 A 33 ILE HG2% A 34 GLN H 1.0 . 3.56 509 456 A 33 ILE HD1% A 34 GLN H 1.0 . 3.95 510 457 A 34 GLN H A 33 ILE H 1.0 . 4.71 511 458 A 33 ILE HB A 33 ILE H 1.0 . 2.83 512 459 A 33 ILE HG2% A 33 ILE H 1.0 . 3.45 513 460 A 29 HIS H A 32 ALA H 1.0 . 4.43 514 461 A 33 ILE H A 32 ALA H 1.0 . 2.89 515 462 A 33 ILE HB A 32 ALA H 1.0 . 4.20 516 463 A 32 ALA HB% A 32 ALA H 1.0 . 2.62 517 464 A 32 ALA H A 31 SER H 1.0 . 3.38 518 465 A 31 SER H A 30 PHE H 1.0 . 3.72 519 466 A 32 ALA HB% A 31 SER H 1.0 . 4.64 520 467 A 29 HIS H A 30 PHE H 1.0 . 4.67 521 468 A 33 ILE H A 30 PHE H 1.0 . 5.25 522 469 A 30 PHE H A 29 HIS HA 1.0 . 2.75 523 470 A 30 PHE H A 29 HIS HB3 1.0 . 4.09 524 471 A 33 ILE HB A 30 PHE H 1.0 . 5.10 525 472 A 32 ALA HB% A 29 HIS H 1.0 . 3.79 526 473 A 60 ALA HB% A 29 HIS H 1.0 . 4.43 527 474 A 29 HIS H A 28 VAL H 1.0 . 4.45 528 475 A 28 VAL H A 18 ILE H 1.0 . 5.46 529 476 A 28 VAL H A 17 PHE HA 1.0 . 4.17 530 477 A 29 HIS HA A 28 VAL H 1.0 . 5.10 531 478 A 28 VAL H A 16 GLY HA2 1.0 . 4.19 532 478 A 16 GLY HA3 A 28 VAL H 1.0 . 4.19 533 479 A 28 VAL H A 27 PHE HA 1.0 . 2.75 534 480 A 28 VAL H A 27 PHE HB3 1.0 . 3.95 535 481 A 28 VAL H A 15 PHE HB3 1.0 . 4.42 536 482 A 60 ALA HB% A 28 VAL H 1.0 . 5.02 537 483 A 60 ALA H A 27 PHE H 1.0 . 4.91 538 484 A 26 VAL HA A 27 PHE H 1.0 . 2.80 539 485 A 27 PHE H A 27 PHE HB3 1.0 . 3.80 540 486 A 27 PHE HB2 A 27 PHE H 1.0 . 3.10 541 487 A 58 PRO HG2 A 27 PHE H 1.0 . 4.72 542 488 A 58 PRO HB2 A 27 PHE H 1.0 . 5.40 543 489 A 26 VAL HB A 27 PHE H 1.0 . 4.51 544 490 A 26 VAL HG1% A 27 PHE H 1.0 . 3.38 545 491 A 26 VAL HG2% A 27 PHE H 1.0 . 3.96 546 492 A 18 ILE H A 26 VAL H 1.0 . 3.24 547 493 A 26 VAL H A 25 ASP H 1.0 . 4.10 548 494 A 26 VAL HB A 26 VAL H 1.0 . 3.12 549 495 A 18 ILE HB A 26 VAL H 1.0 . 4.13 550 496 A 26 VAL HG2% A 26 VAL H 1.0 . 3.16 551 497 A 26 VAL HG1% A 26 VAL H 1.0 . 3.94 552 498 A 19 GLU HA A 25 ASP H 1.0 . 4.41 553 499 A 24 ASP HA A 25 ASP H 1.0 . 2.64 554 500 A 25 ASP H A 25 ASP HB2 1.0 . 3.48 555 500 A 25 ASP H A 25 ASP HB3 1.0 . 3.48 556 501 A 25 ASP H A 24 ASP H 1.0 . 4.62 557 502 A 19 GLU HA A 24 ASP H 1.0 . 5.39 558 503 A 24 ASP H A 23 GLY HA2 1.0 . 3.11 559 503 A 23 GLY HA3 A 24 ASP H 1.0 . 3.11 560 504 A 24 ASP H A 24 ASP HB2 1.0 . 3.05 561 504 A 24 ASP HB3 A 24 ASP H 1.0 . 3.05 562 505 A 24 ASP H A 20 ARG HB2 1.0 . 5.13 563 505 A 20 ARG HB3 A 24 ASP H 1.0 . 5.13 564 506 A 22 ASN H A 23 GLY H 1.0 . 3.44 565 507 A 24 ASP H A 23 GLY H 1.0 . 4.54 566 508 A 22 ASN HA A 23 GLY H 1.0 . 3.32 567 509 A 23 GLY H A 21 GLU HA 1.0 . 3.81 568 510 A 22 ASN H A 21 GLU H 1.0 . 3.46 569 511 A 22 ASN H A 22 ASN HB2 1.0 . 3.70 570 512 A 22 ASN H A 22 ASN HB3 1.0 . 3.70 571 513 A 24 ASP H A 20 ARG H 1.0 . 4.86 572 514 A 19 GLU HG3 A 20 ARG H 1.0 . 3.90 573 515 A 19 GLU HB2 A 20 ARG H 1.0 . 3.29 574 516 A 18 ILE H A 19 GLU H 1.0 . 4.79 575 517 A 18 ILE HA A 19 GLU H 1.0 . 2.83 576 518 A 6 VAL HA A 19 GLU H 1.0 . 3.58 577 519 A 19 GLU HG3 A 19 GLU H 1.0 . 4.03 578 520 A 19 GLU HB3 A 19 GLU H 1.0 . 3.14 579 521 A 7 LYS HB2 A 19 GLU H 1.0 . 3.66 580 522 A 6 VAL HG2% A 19 GLU H 1.0 . 5.26 581 523 A 6 VAL HG1% A 19 GLU H 1.0 . 5.21 582 524 A 18 ILE HG2% A 19 GLU H 1.0 . 3.09 583 525 A 18 ILE H A 17 PHE H 1.0 . 4.62 584 526 A 18 ILE H A 27 PHE HA 1.0 . 5.12 585 527 A 26 VAL HB A 18 ILE H 1.0 . 3.67 586 528 A 18 ILE HG13 A 18 ILE H 1.0 . 3.53 587 529 A 18 ILE HB A 18 ILE H 1.0 . 3.25 588 530 A 26 VAL HG2% A 18 ILE H 1.0 . 4.53 589 531 A 26 VAL HG1% A 18 ILE H 1.0 . 4.24 590 532 A 18 ILE HG2% A 18 ILE H 1.0 . 4.11 591 533 A 18 ILE HD1% A 18 ILE H 1.0 . 4.41 592 534 A 17 PHE H A 8 TRP H 1.0 . 3.63 593 535 A 17 PHE H A 7 LYS H 1.0 . 5.02 594 536 A 17 PHE H A 16 GLY HA2 1.0 . 3.32 595 536 A 16 GLY HA3 A 17 PHE H 1.0 . 3.32 596 537 A 29 HIS HA A 16 GLY H 1.0 . 4.29 597 538 A 27 PHE HA A 16 GLY H 1.0 . 4.83 598 539 A 16 GLY H A 15 PHE H 1.0 . 4.49 599 540 A 15 PHE H A 14 GLY H 1.0 . 3.02 600 541 A 15 PHE H A 10 ASN HB2 1.0 . 3.70 601 541 A 15 PHE H A 10 ASN HB3 1.0 . 3.70 602 542 A 15 PHE H A 13 LYS HB2 1.0 . 4.00 603 543 A 14 GLY H A 13 LYS HB2 1.0 . 3.79 604 544 A 14 GLY H A 13 LYS HG3 1.0 . 4.90 605 545 A 11 ALA HB% A 14 GLY H 1.0 . 5.12 606 546 A 14 GLY H A 10 ASN HB2 1.0 . 4.47 607 546 A 14 GLY H A 10 ASN HB3 1.0 . 4.47 608 547 A 14 GLY H A 13 LYS H 1.0 . 2.80 609 548 A 15 PHE H A 13 LYS H 1.0 . 4.22 610 549 A 13 LYS H A 10 ASN HB2 1.0 . 3.91 611 549 A 10 ASN HB3 A 13 LYS H 1.0 . 3.91 612 550 A 13 LYS H A 13 LYS HB3 1.0 . 3.78 613 551 A 13 LYS H A 13 LYS HG3 1.0 . 3.65 614 552 A 13 LYS HB2 A 13 LYS H 1.0 . 3.06 615 553 A 11 ALA H A 12 GLU H 1.0 . 3.54 616 554 A 13 LYS H A 12 GLU H 1.0 . 2.91 617 555 A 11 ALA HB% A 12 GLU H 1.0 . 3.22 618 556 A 12 GLU H A 12 GLU HG2 1.0 . 3.41 619 556 A 12 GLU H A 12 GLU HG3 1.0 . 3.41 620 557 A 11 ALA HB% A 11 ALA H 1.0 . 3.07 621 558 A 11 ALA H A 10 ASN HB2 1.0 . 4.49 622 558 A 10 ASN HB3 A 11 ALA H 1.0 . 4.49 623 559 A 9 PHE HA A 10 ASN H 1.0 . 3.13 624 560 A 10 ASN H A 16 GLY HA2 1.0 . 4.15 625 560 A 16 GLY HA3 A 10 ASN H 1.0 . 4.15 626 561 A 10 ASN H A 9 PHE HB3 1.0 . 4.70 627 562 A 10 ASN H A 15 PHE HB2 1.0 . 5.10 628 563 A 10 ASN H A 10 ASN HB2 1.0 . 3.34 629 563 A 10 ASN HB3 A 10 ASN H 1.0 . 3.34 630 564 A 10 ASN H A 9 PHE H 1.0 . 4.57 631 565 A 8 TRP H A 9 PHE H 1.0 . 4.46 632 566 A 8 TRP HA A 9 PHE H 1.0 . 2.82 633 567 A 43 GLU HB2 A 9 PHE H 1.0 . 4.83 634 568 A 6 VAL HG1% A 9 PHE H 1.0 . 4.15 635 569 A 8 TRP H A 7 LYS H 1.0 . 2.95 636 570 A 18 ILE HA A 8 TRP H 1.0 . 4.16 637 571 A 8 TRP H A 16 GLY HA2 1.0 . 5.30 638 571 A 16 GLY HA3 A 8 TRP H 1.0 . 5.30 639 572 A 8 TRP H A 17 PHE HB2 1.0 . 4.73 640 573 A 7 LYS HB3 A 8 TRP H 1.0 . 3.16 641 574 A 6 VAL HG2% A 45 GLN HE21 1.0 . 4.72 642 575 A 6 VAL HG1% A 8 TRP H 1.0 . 3.08 643 576 A 6 VAL HA A 8 TRP H 1.0 . 4.55 644 577 A 43 GLU HA A 8 TRP H 1.0 . 4.92 645 578 A 18 ILE H A 7 LYS H 1.0 . 4.77 646 579 A 6 VAL H A 7 LYS H 1.0 . 4.74 647 580 A 44 GLY H A 7 LYS H 1.0 . 4.58 648 581 A 18 ILE HA A 7 LYS H 1.0 . 3.19 649 582 A 6 VAL HA A 7 LYS H 1.0 . 2.86 650 583 A 19 GLU HB3 A 7 LYS H 1.0 . 5.50 651 584 A 6 VAL HB A 7 LYS H 1.0 . 4.36 652 585 A 7 LYS HB2 A 7 LYS H 1.0 . 3.21 653 586 A 7 LYS HB3 A 7 LYS H 1.0 . 3.43 654 587 A 6 VAL HG2% A 7 LYS H 1.0 . 4.23 655 588 A 6 VAL HG1% A 7 LYS H 1.0 . 3.38 656 589 A 18 ILE HG2% A 7 LYS H 1.0 . 4.03 657 590 A 18 ILE HG12 A 7 LYS H 1.0 . 4.54 658 591 A 6 VAL H A 5 THR H 1.0 . 4.44 659 592 A 6 VAL H A 19 GLU H 1.0 . 5.50 660 593 A 6 VAL H A 45 GLN H 1.0 . 3.81 661 594 A 5 THR HA A 6 VAL H 1.0 . 2.74 662 595 A 46 ALA HA A 6 VAL H 1.0 . 3.74 663 596 A 6 VAL H A 44 GLY HA2 1.0 . 4.79 664 596 A 6 VAL H A 44 GLY HA3 1.0 . 4.79 665 597 A 18 ILE HA A 6 VAL H 1.0 . 5.34 666 598 A 45 GLN HA A 6 VAL H 1.0 . 5.50 667 599 A 5 THR HB A 6 VAL H 1.0 . 4.49 668 600 A 6 VAL HB A 6 VAL H 1.0 . 3.01 669 601 A 6 VAL HG2% A 6 VAL H 1.0 . 2.81 670 602 A 47 VAL HG1% A 6 VAL H 1.0 . 4.12 671 603 A 6 VAL HG1% A 6 VAL H 1.0 . 4.28 672 604 A 47 VAL HG2% A 6 VAL H 1.0 . 4.54 673 605 A 18 ILE HG2% A 6 VAL H 1.0 . 4.10 674 606 A 19 GLU H A 5 THR H 1.0 . 3.70 675 607 A 5 THR H A 4 GLY HA2 1.0 . 3.12 676 607 A 4 GLY HA3 A 5 THR H 1.0 . 3.12 677 608 A 5 THR HB A 5 THR H 1.0 . 3.52 678 609 A 19 GLU HG3 A 5 THR H 1.0 . 4.20 679 610 A 5 THR HG1 A 5 THR H 1.0 . 3.80 680 611 A 5 THR H A 4 GLY H 1.0 . 4.41 681 612 A 48 THR HA A 4 GLY H 1.0 . 3.79 682 613 A 3 GLN HA A 4 GLY H 1.0 . 2.82 683 614 A 4 GLY H A 3 GLN HG2 1.0 . 3.97 684 614 A 3 GLN HG3 A 4 GLY H 1.0 . 3.97 685 615 A 3 GLN HB2 A 4 GLY H 1.0 . 3.44 686 616 A 3 GLN HB3 A 4 GLY H 1.0 . 4.20 687 617 A 46 ALA HB% A 4 GLY H 1.0 . 5.46 688 618 A 47 VAL HG2% A 4 GLY H 1.0 . 4.08 689 619 A 18 ILE HG2% A 4 GLY H 1.0 . 4.62 690 620 A 3 GLN H A 3 GLN HG2 1.0 . 3.62 691 620 A 3 GLN HG3 A 3 GLN H 1.0 . 3.62 692 621 A 3 GLN HB2 A 3 GLN H 1.0 . 3.85 693 622 A 3 GLN HB3 A 3 GLN H 1.0 . 2.94 694 623 A 65 LYS H A 64 GLN HA 1.0 . 2.58 695 624 A 62 ASN HD21 A 61 ALA HB% 1.0 . 4.03 696 625 A 61 ALA HB% A 62 ASN HD22 1.0 . 4.49 697 626 A 47 VAL HG2% A 48 THR H 1.0 . 3.65 698 627 A 45 GLN HG2 A 46 ALA H 1.0 . 4.31 699 628 A 47 VAL HB A 48 THR H 1.0 . 2.97 700 629 A 48 THR H A 3 GLN HG2 1.0 . 4.96 701 629 A 3 GLN HG3 A 48 THR H 1.0 . 4.96 702 630 A 48 THR H A 64 GLN HB2 1.0 . 5.06 703 631 A 66 ALA HB% A 48 THR H 1.0 . 3.91 704 632 A 48 THR HG1 A 48 THR H 1.0 . 3.46 705 633 A 3 GLN HB2 A 48 THR H 1.0 . 4.28 706 634 A 37 GLY H A 36 ASP HA 1.0 . 2.85 707 635 A 37 GLY H A 36 ASP HB2 1.0 . 4.79 708 636 A 65 LYS HA A 34 GLN HE22 1.0 . 4.51 709 637 A 65 LYS HB2 A 34 GLN HE22 1.0 . 4.16 710 638 A 65 LYS HD2 A 34 GLN HE22 1.0 . 4.73 711 639 A 65 LYS HA A 34 GLN HE21 1.0 . 4.51 712 640 A 65 LYS HB2 A 34 GLN HE21 1.0 . 4.16 713 641 A 65 LYS HD2 A 34 GLN HE21 1.0 . 4.73 714 642 A 33 ILE HB A 34 GLN H 1.0 . 4.37 715 643 A 21 GLU H A 20 ARG HB2 1.0 . 3.27 716 643 A 20 ARG HB3 A 21 GLU H 1.0 . 3.27 717 644 A 18 ILE H A 17 PHE HA 1.0 . 2.81 718 645 A 11 ALA H A 10 ASN HA 1.0 . 2.63 719 646 A 3 GLN HE21 A 66 ALA H 1.0 . 4.53 720 647 A 66 ALA H A 64 GLN HA 1.0 . 5.50 721 648 A 3 GLN HB3 A 66 ALA H 1.0 . 5.50 722 649 A 64 GLN HB3 A 66 ALA H 1.0 . 5.50 723 650 A 66 ALA H A 65 LYS HG2 1.0 . 3.95 724 650 A 65 LYS HG3 A 66 ALA H 1.0 . 3.95 725 651 A 65 LYS HD2 A 66 ALA H 1.0 . 4.21 726 652 A 65 LYS H A 64 GLN H 1.0 . 4.13 727 653 A 65 LYS H A 65 LYS HE2 1.0 . 5.47 728 653 A 65 LYS HE3 A 65 LYS H 1.0 . 5.47 729 654 A 65 LYS HA A 64 GLN H 1.0 . 4.87 730 655 A 62 ASN HD21 A 62 ASN H 1.0 . 4.88 731 656 A 60 ALA HB% A 62 ASN H 1.0 . 5.14 732 657 A 61 ALA H A 60 ALA H 1.0 . 4.67 733 658 A 51 VAL HB A 61 ALA H 1.0 . 5.50 734 659 A 32 ALA HB% A 60 ALA H 1.0 . 5.35 735 660 A 18 ILE HD1% A 60 ALA H 1.0 . 5.50 736 661 A 59 GLN H A 58 PRO HB3 1.0 . 3.99 737 662 A 51 VAL HG2% A 59 GLN H 1.0 . 4.79 738 663 A 56 ARG H A 56 ARG HG2 1.0 . 4.94 739 664 A 56 ARG H A 56 ARG HG3 1.0 . 4.94 740 665 A 54 GLY H A 53 GLU H 1.0 . 4.68 741 666 A 59 GLN H A 54 GLY H 1.0 . 5.07 742 667 A 52 GLU H A 52 GLU HB3 1.0 . 3.94 743 668 A 61 ALA H A 51 VAL H 1.0 . 4.81 744 669 A 47 VAL HG2% A 49 PHE H 1.0 . 5.17 745 670 A 48 THR H A 4 GLY H 1.0 . 5.07 746 671 A 3 GLN HA A 48 THR H 1.0 . 5.01 747 672 A 3 GLN HB3 A 48 THR H 1.0 . 4.54 748 673 A 64 GLN HB3 A 48 THR H 1.0 . 4.70 749 674 A 65 LYS HD2 A 47 VAL H 1.0 . 5.50 750 675 A 18 ILE HD1% A 47 VAL H 1.0 . 5.50 751 676 A 5 THR HA A 46 ALA H 1.0 . 4.77 752 677 A 47 VAL HG1% A 46 ALA H 1.0 . 4.57 753 678 A 47 VAL HG2% A 46 ALA H 1.0 . 5.50 754 679 A 6 VAL HG2% A 46 ALA H 1.0 . 5.02 755 680 A 42 ASP HB3 A 45 GLN H 1.0 . 4.83 756 681 A 43 GLU HA A 44 GLY H 1.0 . 2.57 757 682 A 44 GLY H A 43 GLU H 1.0 . 4.53 758 683 A 44 GLY H A 6 VAL H 1.0 . 4.15 759 684 A 45 GLN HA A 44 GLY H 1.0 . 4.87 760 685 A 6 VAL HB A 44 GLY H 1.0 . 3.43 761 686 A 43 GLU HB2 A 44 GLY H 1.0 . 3.82 762 687 A 6 VAL HG2% A 44 GLY H 1.0 . 4.23 763 688 A 6 VAL HG1% A 44 GLY H 1.0 . 3.56 764 689 A 45 GLN H A 43 GLU H 1.0 . 4.97 765 690 A 45 GLN H A 42 ASP H 1.0 . 5.21 766 691 A 41 LEU HG A 42 ASP H 1.0 . 4.93 767 692 A 11 ALA HB% A 41 LEU H 1.0 . 5.50 768 693 A 41 LEU H A 41 LEU HB2 1.0 . 3.93 769 694 A 39 LYS H A 39 LYS HB2 1.0 . 4.10 770 695 A 36 ASP H A 36 ASP HB3 1.0 . 3.72 771 696 A 33 ILE HG2% A 35 GLY H 1.0 . 5.09 772 697 A 63 VAL H A 34 GLN H 1.0 . 4.52 773 698 A 34 GLN HA A 33 ILE H 1.0 . 5.50 774 699 A 33 ILE H A 31 SER HA 1.0 . 4.88 775 700 A 32 ALA H A 30 PHE H 1.0 . 4.44 776 701 A 62 ASN H A 32 ALA H 1.0 . 5.50 777 702 A 32 ALA HA A 31 SER H 1.0 . 5.40 778 703 A 31 SER H A 31 SER HB2 1.0 . 3.53 779 704 A 31 SER H A 29 HIS HB2 1.0 . 4.50 780 705 A 31 SER H A 29 HIS HB3 1.0 . 4.50 781 706 A 31 SER H A 31 SER HB3 1.0 . 3.53 782 707 A 33 ILE H A 31 SER H 1.0 . 4.13 783 708 A 32 ALA HB% A 30 PHE H 1.0 . 5.50 784 709 A 30 PHE H A 29 HIS HB2 1.0 . 4.09 785 710 A 33 ILE HD1% A 29 HIS H 1.0 . 5.35 786 711 A 28 VAL H A 16 GLY H 1.0 . 3.56 787 712 A 27 PHE HB2 A 28 VAL H 1.0 . 4.60 788 713 A 28 VAL H A 27 PHE H 1.0 . 4.56 789 714 A 27 PHE H A 26 VAL H 1.0 . 4.60 790 715 A 59 GLN H A 27 PHE H 1.0 . 5.50 791 716 A 18 ILE HG13 A 26 VAL H 1.0 . 4.99 792 717 A 18 ILE H A 25 ASP H 1.0 . 5.05 793 718 A 25 ASP H A 20 ARG H 1.0 . 5.30 794 719 A 25 ASP H A 24 ASP HB2 1.0 . 3.41 795 719 A 24 ASP HB3 A 25 ASP H 1.0 . 3.41 796 720 A 23 GLY H A 21 GLU H 1.0 . 4.97 797 721 A 23 GLY H A 24 ASP HB2 1.0 . 5.06 798 721 A 24 ASP HB3 A 23 GLY H 1.0 . 5.06 799 722 A 23 GLY H A 20 ARG HB2 1.0 . 4.52 800 722 A 20 ARG HB3 A 23 GLY H 1.0 . 4.52 801 723 A 21 GLU H A 20 ARG H 1.0 . 4.55 802 724 A 20 ARG H A 19 GLU H 1.0 . 4.54 803 725 A 21 GLU HA A 20 ARG H 1.0 . 5.26 804 726 A 26 VAL HG2% A 20 ARG H 1.0 . 4.62 805 727 A 5 THR HA A 19 GLU H 1.0 . 5.49 806 728 A 7 LYS HA A 19 GLU H 1.0 . 4.98 807 729 A 5 THR HB A 19 GLU H 1.0 . 4.73 808 730 A 7 LYS HB3 A 19 GLU H 1.0 . 4.25 809 731 A 18 ILE HD1% A 19 GLU H 1.0 . 5.04 810 732 A 6 VAL HA A 18 ILE H 1.0 . 5.50 811 733 A 17 PHE H A 16 GLY H 1.0 . 4.71 812 734 A 6 VAL HG1% A 17 PHE H 1.0 . 4.17 813 735 A 18 ILE HG12 A 17 PHE H 1.0 . 4.82 814 736 A 15 PHE HB3 A 16 GLY H 1.0 . 3.27 815 737 A 15 PHE H A 13 LYS HB3 1.0 . 4.23 816 738 A 14 GLY H A 11 ALA HA 1.0 . 4.24 817 739 A 14 GLY H A 13 LYS HB3 1.0 . 4.21 818 740 A 14 GLY H A 13 LYS HG2 1.0 . 4.90 819 741 A 13 LYS H A 12 GLU HG2 1.0 . 4.14 820 741 A 13 LYS H A 12 GLU HG3 1.0 . 4.14 821 742 A 13 LYS H A 13 LYS HG2 1.0 . 3.65 822 743 A 12 GLU H A 10 ASN HB2 1.0 . 4.63 823 743 A 10 ASN HB3 A 12 GLU H 1.0 . 4.63 824 744 A 13 LYS HB2 A 12 GLU H 1.0 . 4.61 825 745 A 11 ALA H A 10 ASN H 1.0 . 4.79 826 746 A 13 LYS H A 11 ALA H 1.0 . 4.77 827 747 A 15 PHE H A 10 ASN H 1.0 . 4.50 828 748 A 10 ASN H A 9 PHE HB2 1.0 . 4.70 829 749 A 13 LYS HB2 A 10 ASN H 1.0 . 5.45 830 750 A 9 PHE H A 16 GLY HA2 1.0 . 5.24 831 750 A 16 GLY HA3 A 9 PHE H 1.0 . 5.24 832 751 A 43 GLU HB3 A 9 PHE H 1.0 . 4.30 833 752 A 8 TRP H A 17 PHE HB3 1.0 . 4.73 834 753 A 18 ILE HG2% A 8 TRP H 1.0 . 5.15 835 754 A 18 ILE HG13 A 7 LYS H 1.0 . 5.38 836 755 A 46 ALA HB% A 6 VAL H 1.0 . 5.09 837 756 A 4 GLY H A 3 GLN H 1.0 . 4.90 838 757 A 66 ALA HB% A 4 GLY H 1.0 . 5.38 839 758 A 48 THR HA A 3 GLN H 1.0 . 4.82 840 759 A 3 GLN H A 2 GLU HA 1.0 . 2.64 841 760 A 51 VAL HG1% A 2 GLU HB3 1.0 . 4.77 842 760 A 51 VAL HG1% A 2 GLU HB2 1.0 . 4.77 843 761 A 6 VAL HB A 41 LEU HD2% 1.0 . 4.83 844 761 A 6 VAL HB A 41 LEU HD1% 1.0 . 4.83 845 762 A 6 VAL HG1% A 17 PHE HB3 1.0 . 5.11 846 762 A 6 VAL HG1% A 17 PHE HB2 1.0 . 5.11 847 763 A 6 VAL HG1% A 43 GLU HG2 1.0 . 4.77 848 763 A 6 VAL HG1% A 43 GLU HG3 1.0 . 4.77 849 764 A 6 VAL HG2% A 41 LEU HB3 1.0 . 3.65 850 764 A 6 VAL HG2% A 41 LEU HB2 1.0 . 3.65 851 765 A 6 VAL HG2% A 41 LEU HD2% 1.0 . 2.97 852 765 A 6 VAL HG2% A 41 LEU HD1% 1.0 . 2.97 853 766 A 6 VAL HG2% A 45 GLN HE21 1.0 . 4.05 854 766 A 6 VAL HG2% A 45 GLN HE22 1.0 . 4.05 855 767 A 7 LYS H A 7 LYS HG3 1.0 . 4.52 856 767 A 7 LYS H A 7 LYS HG2 1.0 . 4.52 857 768 A 7 LYS H A 7 LYS HD2 1.0 . 5.24 858 768 A 7 LYS H A 7 LYS HD3 1.0 . 5.24 859 769 A 7 LYS HA A 7 LYS HG3 1.0 . 3.74 860 769 A 7 LYS HA A 7 LYS HG2 1.0 . 3.74 861 770 A 7 LYS HA A 7 LYS HD2 1.0 . 4.67 862 770 A 7 LYS HA A 7 LYS HD3 1.0 . 4.67 863 771 A 7 LYS HE2 A 7 LYS HG3 1.0 . 3.52 864 771 A 7 LYS HE3 A 7 LYS HG3 1.0 . 3.52 865 771 A 7 LYS HG2 A 7 LYS HE2 1.0 . 3.52 866 771 A 7 LYS HE3 A 7 LYS HG2 1.0 . 3.52 867 772 A 8 TRP H A 7 LYS HG3 1.0 . 4.03 868 772 A 8 TRP H A 7 LYS HG2 1.0 . 4.03 869 773 A 8 TRP H A 7 LYS HD2 1.0 . 5.25 870 773 A 8 TRP H A 7 LYS HD3 1.0 . 5.25 871 774 A 8 TRP H A 17 PHE HB3 1.0 . 4.09 872 774 A 8 TRP H A 17 PHE HB2 1.0 . 4.09 873 775 A 8 TRP HA A 43 GLU HG2 1.0 . 5.15 874 775 A 8 TRP HA A 43 GLU HG3 1.0 . 5.15 875 776 A 9 PHE H A 43 GLU HG2 1.0 . 4.39 876 776 A 9 PHE H A 43 GLU HG3 1.0 . 4.39 877 777 A 10 ASN H A 9 PHE HB3 1.0 . 4.09 878 777 A 10 ASN H A 9 PHE HB2 1.0 . 4.09 879 778 A 10 ASN H A 10 ASN HD21 1.0 . 3.67 880 778 A 10 ASN H A 10 ASN HD22 1.0 . 3.67 881 779 A 14 GLY H A 10 ASN HD21 1.0 . 4.83 882 779 A 14 GLY H A 10 ASN HD22 1.0 . 4.83 883 780 A 11 ALA H A 12 GLU HB2 1.0 . 5.01 884 780 A 11 ALA H A 12 GLU HB3 1.0 . 5.01 885 781 A 11 ALA HB% A 40 SER HB3 1.0 . 4.66 886 781 A 11 ALA HB% A 40 SER HB2 1.0 . 4.66 887 782 A 12 GLU H A 12 GLU HB2 1.0 . 2.56 888 782 A 12 GLU H A 12 GLU HB3 1.0 . 2.56 889 783 A 12 GLU H A 13 LYS HG3 1.0 . 4.30 890 783 A 12 GLU H A 13 LYS HG2 1.0 . 4.30 891 784 A 13 LYS H A 12 GLU HB2 1.0 . 2.91 892 784 A 13 LYS H A 12 GLU HB3 1.0 . 2.91 893 785 A 12 GLU HB2 A 13 LYS HG3 1.0 . 4.17 894 785 A 13 LYS HG2 A 12 GLU HB2 1.0 . 4.17 895 785 A 12 GLU HB3 A 13 LYS HG2 1.0 . 4.17 896 785 A 12 GLU HB3 A 13 LYS HG3 1.0 . 4.17 897 786 A 14 GLY H A 12 GLU HB2 1.0 . 5.28 898 786 A 14 GLY H A 12 GLU HB3 1.0 . 5.28 899 787 A 13 LYS H A 13 LYS HG3 1.0 . 2.97 900 787 A 13 LYS H A 13 LYS HG2 1.0 . 2.97 901 788 A 13 LYS H A 13 LYS HD2 1.0 . 4.37 902 788 A 13 LYS H A 13 LYS HD3 1.0 . 4.37 903 789 A 14 GLY H A 13 LYS HG3 1.0 . 4.14 904 789 A 14 GLY H A 13 LYS HG2 1.0 . 4.14 905 790 A 18 ILE HB A 28 VAL HG2% 1.0 . 4.43 906 790 A 18 ILE HB A 28 VAL HG1% 1.0 . 4.43 907 791 A 18 ILE HG12 A 28 VAL HG2% 1.0 . 4.68 908 791 A 18 ILE HG12 A 28 VAL HG1% 1.0 . 4.68 909 792 A 18 ILE HD1% A 28 VAL HG2% 1.0 . 3.20 910 792 A 18 ILE HD1% A 28 VAL HG1% 1.0 . 3.20 911 793 A 18 ILE HD1% A 41 LEU HD2% 1.0 . 4.33 912 793 A 18 ILE HD1% A 41 LEU HD1% 1.0 . 4.33 913 794 A 21 GLU H A 21 GLU HB2 1.0 . 2.73 914 794 A 21 GLU H A 21 GLU HB3 1.0 . 2.73 915 795 A 21 GLU H A 21 GLU HG2 1.0 . 4.36 916 795 A 21 GLU H A 21 GLU HG3 1.0 . 4.36 917 796 A 21 GLU HA A 21 GLU HG2 1.0 . 3.54 918 796 A 21 GLU HA A 21 GLU HG3 1.0 . 3.54 919 797 A 22 ASN H A 21 GLU HB2 1.0 . 3.01 920 797 A 22 ASN H A 21 GLU HB3 1.0 . 3.01 921 798 A 23 GLY H A 21 GLU HB2 1.0 . 5.34 922 798 A 23 GLY H A 21 GLU HB3 1.0 . 5.34 923 799 A 22 ASN H A 21 GLU HG2 1.0 . 4.22 924 799 A 22 ASN H A 21 GLU HG3 1.0 . 4.22 925 800 A 23 GLY H A 21 GLU HG2 1.0 . 4.96 926 800 A 23 GLY H A 21 GLU HG3 1.0 . 4.96 927 801 A 22 ASN H A 22 ASN HB3 1.0 . 3.03 928 801 A 22 ASN H A 22 ASN HB2 1.0 . 3.03 929 802 A 23 GLY H A 22 ASN HB3 1.0 . 4.36 930 802 A 23 GLY H A 22 ASN HB2 1.0 . 4.36 931 803 A 24 ASP H A 24 ASP HB2 1.0 . 3.05 932 803 A 24 ASP HB3 A 24 ASP H 1.0 . 3.05 933 804 A 26 VAL HG1% A 28 VAL HG2% 1.0 . 4.42 934 804 A 26 VAL HG1% A 28 VAL HG1% 1.0 . 4.42 935 805 A 26 VAL HG1% A 59 GLN HB2 1.0 . 5.34 936 805 A 26 VAL HG1% A 59 GLN HB3 1.0 . 5.34 937 806 A 60 ALA HB% A 28 VAL HG2% 1.0 . 4.23 938 806 A 60 ALA HB% A 28 VAL HG1% 1.0 . 4.23 939 807 A 29 HIS H A 29 HIS HB3 1.0 . 3.32 940 807 A 29 HIS H A 29 HIS HB2 1.0 . 3.32 941 808 A 30 PHE H A 29 HIS HB3 1.0 . 3.51 942 808 A 30 PHE H A 29 HIS HB2 1.0 . 3.51 943 809 A 31 SER H A 29 HIS HB3 1.0 . 3.84 944 809 A 31 SER H A 29 HIS HB2 1.0 . 3.84 945 810 A 32 ALA H A 29 HIS HB3 1.0 . 4.02 946 810 A 32 ALA H A 29 HIS HB2 1.0 . 4.02 947 811 A 30 PHE H A 30 PHE HB2 1.0 . 3.49 948 811 A 30 PHE H A 30 PHE HB3 1.0 . 3.49 949 812 A 31 SER H A 30 PHE HB2 1.0 . 4.22 950 812 A 31 SER H A 30 PHE HB3 1.0 . 4.22 951 813 A 32 ALA H A 30 PHE HB2 1.0 . 5.34 952 813 A 32 ALA H A 30 PHE HB3 1.0 . 5.34 953 814 A 30 PHE HB2 A 39 LYS HB2 1.0 . 4.13 954 814 A 30 PHE HB3 A 39 LYS HB2 1.0 . 4.13 955 814 A 39 LYS HB3 A 30 PHE HB2 1.0 . 4.13 956 814 A 30 PHE HB3 A 39 LYS HB3 1.0 . 4.13 957 815 A 30 PHE HB2 A 39 LYS HG2 1.0 . 3.91 958 815 A 30 PHE HB3 A 39 LYS HG2 1.0 . 3.91 959 815 A 39 LYS HG3 A 30 PHE HB2 1.0 . 3.91 960 815 A 30 PHE HB3 A 39 LYS HG3 1.0 . 3.91 961 816 A 31 SER H A 31 SER HB3 1.0 . 3.01 962 816 A 31 SER H A 31 SER HB2 1.0 . 3.01 963 817 A 32 ALA H A 31 SER HB3 1.0 . 3.44 964 817 A 32 ALA H A 31 SER HB2 1.0 . 3.44 965 818 A 32 ALA HA A 63 VAL HG2% 1.0 . 4.77 966 818 A 32 ALA HA A 63 VAL HG1% 1.0 . 4.77 967 819 A 32 ALA HB% A 62 ASN HB3 1.0 . 5.09 968 819 A 32 ALA HB% A 62 ASN HB2 1.0 . 5.09 969 820 A 32 ALA HB% A 63 VAL HG2% 1.0 . 3.24 970 820 A 32 ALA HB% A 63 VAL HG1% 1.0 . 3.24 971 821 A 33 ILE HA A 33 ILE HG12 1.0 . 3.72 972 821 A 33 ILE HA A 33 ILE HG1y 1.0 . 3.72 973 822 A 33 ILE HA A 41 LEU HD2% 1.0 . 4.84 974 822 A 33 ILE HA A 41 LEU HD1% 1.0 . 4.84 975 823 A 33 ILE HA A 63 VAL HG2% 1.0 . 3.61 976 823 A 33 ILE HA A 63 VAL HG1% 1.0 . 3.61 977 824 A 40 SER H A 33 ILE HG12 1.0 . 4.54 978 824 A 40 SER H A 33 ILE HG1y 1.0 . 4.54 979 825 A 33 ILE HG1y A 41 LEU HD2% 1.0 . 4.12 980 825 A 33 ILE HG12 A 41 LEU HD2% 1.0 . 4.12 981 825 A 41 LEU HD1% A 33 ILE HG12 1.0 . 4.12 982 825 A 41 LEU HD1% A 33 ILE HG1y 1.0 . 4.12 983 826 A 33 ILE HD1% A 41 LEU HD2% 1.0 . 3.77 984 826 A 33 ILE HD1% A 41 LEU HD1% 1.0 . 3.77 985 827 A 35 GLY H A 34 GLN HE21 1.0 . 5.34 986 827 A 35 GLY H A 34 GLN HE22 1.0 . 5.34 987 828 A 47 VAL HG1% A 34 GLN HE21 1.0 . 4.07 988 828 A 47 VAL HG1% A 34 GLN HE22 1.0 . 4.07 989 829 A 65 LYS HA A 34 GLN HE21 1.0 . 3.93 990 829 A 65 LYS HA A 34 GLN HE22 1.0 . 3.93 991 830 A 65 LYS HB2 A 34 GLN HE21 1.0 . 3.59 992 830 A 65 LYS HB2 A 34 GLN HE22 1.0 . 3.59 993 831 A 65 LYS HD2 A 34 GLN HE21 1.0 . 4.02 994 831 A 65 LYS HD2 A 34 GLN HE22 1.0 . 4.02 995 832 A 36 ASP H A 36 ASP HB3 1.0 . 3.15 996 832 A 36 ASP H A 36 ASP HB2 1.0 . 3.15 997 833 A 37 GLY H A 36 ASP HB3 1.0 . 4.09 998 833 A 37 GLY H A 36 ASP HB2 1.0 . 4.09 999 834 A 39 LYS H A 39 LYS HG2 1.0 . 4.27 1000 834 A 39 LYS H A 39 LYS HG3 1.0 . 4.27 1001 835 A 39 LYS HA A 39 LYS HG2 1.0 . 3.68 1002 835 A 39 LYS HA A 39 LYS HG3 1.0 . 3.68 1003 836 A 40 SER H A 39 LYS HB2 1.0 . 4.33 1004 836 A 40 SER H A 39 LYS HB3 1.0 . 4.33 1005 837 A 40 SER H A 39 LYS HG2 1.0 . 5.02 1006 837 A 40 SER H A 39 LYS HG3 1.0 . 5.02 1007 838 A 40 SER H A 40 SER HB3 1.0 . 3.22 1008 838 A 40 SER H A 40 SER HB2 1.0 . 3.22 1009 839 A 40 SER H A 41 LEU HD2% 1.0 . 5.06 1010 839 A 40 SER H A 41 LEU HD1% 1.0 . 5.06 1011 840 A 41 LEU H A 40 SER HB3 1.0 . 3.23 1012 840 A 41 LEU H A 40 SER HB2 1.0 . 3.23 1013 841 A 41 LEU H A 41 LEU HB3 1.0 . 3.12 1014 841 A 41 LEU H A 41 LEU HB2 1.0 . 3.12 1015 842 A 41 LEU H A 41 LEU HD2% 1.0 . 4.90 1016 842 A 41 LEU H A 41 LEU HD1% 1.0 . 4.90 1017 843 A 41 LEU HA A 41 LEU HD2% 1.0 . 2.88 1018 843 A 41 LEU HA A 41 LEU HD1% 1.0 . 2.88 1019 844 A 42 ASP H A 41 LEU HB3 1.0 . 3.36 1020 844 A 42 ASP H A 41 LEU HB2 1.0 . 3.36 1021 845 A 42 ASP H A 41 LEU HD2% 1.0 . 3.41 1022 845 A 42 ASP H A 41 LEU HD1% 1.0 . 3.41 1023 846 A 45 GLN HG3 A 41 LEU HD2% 1.0 . 4.80 1024 846 A 45 GLN HG3 A 41 LEU HD1% 1.0 . 4.80 1025 847 A 45 GLN HE22 A 41 LEU HD2% 1.0 . 3.93 1026 847 A 45 GLN HE21 A 41 LEU HD2% 1.0 . 3.93 1027 847 A 45 GLN HE21 A 41 LEU HD1% 1.0 . 3.93 1028 847 A 45 GLN HE22 A 41 LEU HD1% 1.0 . 3.93 1029 848 A 45 GLN HE21 A 41 LEU HD1% 1.0 . 6.28 1030 849 A 45 GLN HE21 A 41 LEU HD2% 1.0 . 6.28 1031 850 A 47 VAL HA A 41 LEU HD2% 1.0 . 5.44 1032 850 A 47 VAL HA A 41 LEU HD1% 1.0 . 5.44 1033 851 A 47 VAL HG1% A 41 LEU HD2% 1.0 . 3.79 1034 851 A 47 VAL HG1% A 41 LEU HD1% 1.0 . 3.79 1035 852 A 63 VAL HB A 41 LEU HD2% 1.0 . 5.26 1036 852 A 63 VAL HB A 41 LEU HD1% 1.0 . 5.26 1037 853 A 41 LEU HD2% A 63 VAL HG2% 1.0 . 3.96 1038 853 A 41 LEU HD1% A 63 VAL HG2% 1.0 . 3.96 1039 853 A 63 VAL HG1% A 41 LEU HD2% 1.0 . 3.96 1040 853 A 41 LEU HD1% A 63 VAL HG1% 1.0 . 3.96 1041 854 A 41 LEU HD2% A 65 LYS HG2 1.0 . 5.43 1042 854 A 41 LEU HD1% A 65 LYS HG2 1.0 . 5.43 1043 854 A 65 LYS HG3 A 41 LEU HD2% 1.0 . 5.43 1044 854 A 65 LYS HG3 A 41 LEU HD1% 1.0 . 5.43 1045 855 A 65 LYS HD2 A 41 LEU HD2% 1.0 . 4.66 1046 855 A 65 LYS HD2 A 41 LEU HD1% 1.0 . 4.66 1047 856 A 41 LEU HD2% A 65 LYS HE2 1.0 . 3.45 1048 856 A 41 LEU HD1% A 65 LYS HE2 1.0 . 3.45 1049 856 A 65 LYS HE3 A 41 LEU HD2% 1.0 . 3.45 1050 856 A 65 LYS HE3 A 41 LEU HD1% 1.0 . 3.45 1051 857 A 43 GLU HA A 43 GLU HG2 1.0 . 3.59 1052 857 A 43 GLU HA A 43 GLU HG3 1.0 . 3.59 1053 858 A 44 GLY H A 43 GLU HG2 1.0 . 4.71 1054 858 A 44 GLY H A 43 GLU HG3 1.0 . 4.71 1055 859 A 45 GLN HE21 A 65 LYS HE2 1.0 . 3.89 1056 859 A 65 LYS HE3 A 45 GLN HE21 1.0 . 3.89 1057 859 A 65 LYS HE3 A 45 GLN HE22 1.0 . 3.89 1058 859 A 45 GLN HE22 A 65 LYS HE2 1.0 . 3.89 1059 860 A 47 VAL HA A 63 VAL HG2% 1.0 . 4.69 1060 860 A 47 VAL HA A 63 VAL HG1% 1.0 . 4.69 1061 861 A 47 VAL HB A 63 VAL HG2% 1.0 . 3.62 1062 861 A 47 VAL HB A 63 VAL HG1% 1.0 . 3.62 1063 862 A 48 THR H A 63 VAL HG2% 1.0 . 3.62 1064 862 A 48 THR H A 63 VAL HG1% 1.0 . 3.62 1065 863 A 48 THR HA A 63 VAL HG2% 1.0 . 5.28 1066 863 A 48 THR HA A 63 VAL HG1% 1.0 . 5.28 1067 864 A 49 PHE HA A 63 VAL HG2% 1.0 . 3.84 1068 864 A 49 PHE HA A 63 VAL HG1% 1.0 . 3.84 1069 865 A 49 PHE HB3 A 63 VAL HG2% 1.0 . 5.36 1070 865 A 49 PHE HB3 A 63 VAL HG1% 1.0 . 5.36 1071 866 A 50 ASP H A 50 ASP HB3 1.0 . 3.02 1072 866 A 50 ASP H A 50 ASP HB2 1.0 . 3.02 1073 867 A 50 ASP H A 62 ASN HB3 1.0 . 4.58 1074 867 A 50 ASP H A 62 ASN HB2 1.0 . 4.58 1075 868 A 50 ASP H A 63 VAL HG2% 1.0 . 4.75 1076 868 A 50 ASP H A 63 VAL HG1% 1.0 . 4.75 1077 869 A 51 VAL H A 50 ASP HB3 1.0 . 4.39 1078 869 A 51 VAL H A 50 ASP HB2 1.0 . 4.39 1079 870 A 61 ALA H A 50 ASP HB3 1.0 . 3.92 1080 870 A 61 ALA H A 50 ASP HB2 1.0 . 3.92 1081 871 A 61 ALA HB% A 50 ASP HB3 1.0 . 3.21 1082 871 A 61 ALA HB% A 50 ASP HB2 1.0 . 3.21 1083 872 A 50 ASP HB3 A 62 ASN HB3 1.0 . 4.28 1084 872 A 50 ASP HB2 A 62 ASN HB3 1.0 . 4.28 1085 872 A 62 ASN HB2 A 50 ASP HB3 1.0 . 4.28 1086 872 A 62 ASN HB2 A 50 ASP HB2 1.0 . 4.28 1087 873 A 62 ASN HD21 A 50 ASP HB3 1.0 . 4.32 1088 873 A 62 ASN HD21 A 50 ASP HB2 1.0 . 4.32 1089 874 A 51 VAL HG1% A 53 GLU HG2 1.0 . 4.14 1090 874 A 51 VAL HG1% A 53 GLU HG3 1.0 . 4.14 1091 875 A 52 GLU H A 52 GLU HB3 1.0 . 3.25 1092 875 A 52 GLU H A 52 GLU HB2 1.0 . 3.25 1093 876 A 52 GLU H A 52 GLU HG2 1.0 . 3.73 1094 876 A 52 GLU H A 52 GLU HG3 1.0 . 3.73 1095 877 A 52 GLU HA A 53 GLU HG2 1.0 . 4.50 1096 877 A 52 GLU HA A 53 GLU HG3 1.0 . 4.50 1097 878 A 53 GLU H A 52 GLU HB3 1.0 . 3.80 1098 878 A 53 GLU H A 52 GLU HB2 1.0 . 3.80 1099 879 A 61 ALA HB% A 52 GLU HB3 1.0 . 5.34 1100 879 A 61 ALA HB% A 52 GLU HB2 1.0 . 5.34 1101 880 A 61 ALA HB% A 52 GLU HG2 1.0 . 3.57 1102 880 A 61 ALA HB% A 52 GLU HG3 1.0 . 3.57 1103 881 A 53 GLU H A 53 GLU HG2 1.0 . 3.73 1104 881 A 53 GLU H A 53 GLU HG3 1.0 . 3.73 1105 882 A 53 GLU HA A 53 GLU HG2 1.0 . 3.57 1106 882 A 53 GLU HA A 53 GLU HG3 1.0 . 3.57 1107 883 A 54 GLY H A 53 GLU HG2 1.0 . 4.90 1108 883 A 54 GLY H A 53 GLU HG3 1.0 . 4.90 1109 884 A 55 GLN H A 55 GLN HB2 1.0 . 2.98 1110 884 A 55 GLN H A 55 GLN HB3 1.0 . 2.98 1111 885 A 55 GLN H A 55 GLN HG3 1.0 . 3.30 1112 885 A 55 GLN H A 55 GLN HG2 1.0 . 3.30 1113 886 A 55 GLN HA A 55 GLN HG3 1.0 . 3.53 1114 886 A 55 GLN HA A 55 GLN HG2 1.0 . 3.53 1115 887 A 56 ARG H A 56 ARG HG3 1.0 . 4.24 1116 887 A 56 ARG H A 56 ARG HG2 1.0 . 4.24 1117 888 A 59 GLN HB3 A 59 GLN HE21 1.0 . 3.96 1118 888 A 59 GLN HE22 A 59 GLN HB2 1.0 . 3.96 1119 888 A 59 GLN HB3 A 59 GLN HE22 1.0 . 3.96 1120 888 A 59 GLN HB2 A 59 GLN HE21 1.0 . 3.96 1121 889 A 60 ALA H A 59 GLN HB2 1.0 . 3.34 1122 889 A 60 ALA H A 59 GLN HB3 1.0 . 3.34 1123 890 A 59 GLN HE22 A 59 GLN HG2 1.0 . 3.31 1124 890 A 59 GLN HE21 A 59 GLN HG2 1.0 . 3.31 1125 890 A 59 GLN HG3 A 59 GLN HE21 1.0 . 3.31 1126 890 A 59 GLN HG3 A 59 GLN HE22 1.0 . 3.31 1127 891 A 61 ALA H A 62 ASN HB3 1.0 . 5.34 1128 891 A 61 ALA H A 62 ASN HB2 1.0 . 5.34 1129 892 A 61 ALA H A 63 VAL HG2% 1.0 . 4.88 1130 892 A 61 ALA H A 63 VAL HG1% 1.0 . 4.88 1131 893 A 61 ALA HA A 63 VAL HG2% 1.0 . 4.85 1132 893 A 61 ALA HA A 63 VAL HG1% 1.0 . 4.85 1133 894 A 61 ALA HB% A 62 ASN HB3 1.0 . 4.14 1134 894 A 61 ALA HB% A 62 ASN HB2 1.0 . 4.14 1135 895 A 62 ASN H A 63 VAL HG2% 1.0 . 4.08 1136 895 A 62 ASN H A 63 VAL HG1% 1.0 . 4.08 1137 896 A 62 ASN HD22 A 62 ASN HB3 1.0 . 3.39 1138 896 A 62 ASN HD22 A 62 ASN HB2 1.0 . 3.39 1139 897 A 63 VAL H A 63 VAL HG2% 1.0 . 2.91 1140 897 A 63 VAL H A 63 VAL HG1% 1.0 . 2.91 1141 898 A 63 VAL HA A 63 VAL HG2% 1.0 . 3.10 1142 898 A 63 VAL HA A 63 VAL HG1% 1.0 . 3.10 1143 899 A 64 GLN H A 63 VAL HG2% 1.0 . 3.00 1144 899 A 64 GLN H A 63 VAL HG1% 1.0 . 3.00 1145 900 A 64 GLN HA A 63 VAL HG2% 1.0 . 4.60 1146 900 A 64 GLN HA A 63 VAL HG1% 1.0 . 4.60 1147 901 A 64 GLN HB2 A 63 VAL HG2% 1.0 . 4.92 1148 901 A 64 GLN HB2 A 63 VAL HG1% 1.0 . 4.92 1149 902 A 65 LYS H A 63 VAL HG2% 1.0 . 3.79 1150 902 A 65 LYS H A 63 VAL HG1% 1.0 . 3.79 stop_ save_