data_nef_c17841_2lhe 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 17839 BMRB 17840 BMRB 17843 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 THR start . . 2 A 2 THR middle . . 3 A 3 TYR middle . . 4 A 4 LYS middle . . 5 A 5 LEU middle . . 6 A 6 ILE middle . . 7 A 7 LEU middle . . 8 A 8 ASN middle . . 9 A 9 LEU middle . . 10 A 10 LYS middle . . 11 A 11 GLN middle . . 12 A 12 ALA middle . . 13 A 13 LYS middle . . 14 A 14 GLU middle . . 15 A 15 GLU middle . . 16 A 16 ALA middle . . 17 A 17 ILE middle . . 18 A 18 LYS middle . . 19 A 19 GLU middle . . 20 A 20 ALA middle . . 21 A 21 VAL middle . . 22 A 22 ASP middle . . 23 A 23 ALA middle . . 24 A 24 GLY middle . false 25 A 25 ILE middle . . 26 A 26 ALA middle . . 27 A 27 GLU middle . . 28 A 28 LYS middle . . 29 A 29 TYR middle . . 30 A 30 PHE middle . . 31 A 31 LYS middle . . 32 A 32 LEU middle . . 33 A 33 ILE middle . . 34 A 34 ALA middle . . 35 A 35 ASN middle . . 36 A 36 ALA middle . . 37 A 37 LYS middle . . 38 A 38 THR middle . . 39 A 39 VAL middle . . 40 A 40 GLU middle . . 41 A 41 GLY middle . false 42 A 42 VAL middle . . 43 A 43 TRP middle . . 44 A 44 THR middle . . 45 A 45 TYR middle . . 46 A 46 LYS middle . . 47 A 47 ASP middle . . 48 A 48 GLU middle . . 49 A 49 ILE middle . . 50 A 50 LYS middle . . 51 A 51 THR middle . . 52 A 52 PHE middle . . 53 A 53 THR middle . . 54 A 54 VAL middle . . 55 A 55 THR middle . . 56 A 56 GLU 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 1 THR HA H 1 4.103 0.029 A 1 THR HB H 1 3.783 0.021 A 1 THR HG2% H 1 0.695 0.008 A 1 THR CA C 13 62.09 0.272 A 1 THR CB C 13 69.395 0.52 A 1 THR CG2 C 13 20.965 0.098 A 2 THR H H 1 8.893 0.043 A 2 THR HA H 1 4.339 0.039 A 2 THR HB H 1 3.861 0.053 A 2 THR HG2% H 1 1.109 0.031 A 2 THR C C 13 172.767 0.5 A 2 THR CA C 13 63.395 0.067 A 2 THR CB C 13 68.565 0.464 A 2 THR CG2 C 13 22.764 0.099 A 2 THR N N 15 124.691 0.016 A 3 TYR H H 1 8.919 0.056 A 3 TYR HA H 1 5.309 0.062 A 3 TYR HBy H 1 3.358 0.015 A 3 TYR HBx H 1 3.199 0.024 A 3 TYR HD1 H 1 7.223 0.033 A 3 TYR HD2 H 1 7.223 0.033 A 3 TYR C C 13 174.699 0.5 A 3 TYR CA C 13 57.699 0.242 A 3 TYR CB C 13 42.208 0.215 A 3 TYR N N 15 127.529 0.2 A 4 LYS H H 1 8.945 0.061 A 4 LYS HA H 1 5.407 0.034 A 4 LYS HBy H 1 1.948 0.021 A 4 LYS HBx H 1 1.923 0.028 A 4 LYS HE2 H 1 2.839 0.003 A 4 LYS HE3 H 1 2.839 0.003 A 4 LYS HG2 H 1 1.389 0.032 A 4 LYS HG3 H 1 1.389 0.032 A 4 LYS C C 13 173.089 0.5 A 4 LYS CA C 13 54.996 0.231 A 4 LYS CB C 13 35.87 0.06 A 4 LYS CD C 13 28.772 0.5 A 4 LYS CE C 13 41.341 0.112 A 4 LYS CG C 13 25.435 0.5 A 4 LYS N N 15 121.034 0.2 A 5 LEU H H 1 8.844 0.041 A 5 LEU HA H 1 5.033 0.043 A 5 LEU HBy H 1 0.899 0.031 A 5 LEU HBx H 1 -1.001 0.01 A 5 LEU HDx% H 1 0.389 0.029 A 5 LEU HDy% H 1 0.568 0.017 A 5 LEU HG H 1 1.553 0.014 A 5 LEU C C 13 174.919 0.5 A 5 LEU CA C 13 52.306 0.342 A 5 LEU CB C 13 43.698 0.148 A 5 LEU CD2 C 13 23.152 0.5 A 5 LEU CG C 13 26.84 0.5 A 5 LEU N N 15 126.04 0.2 A 6 ILE H H 1 9.002 0.041 A 6 ILE HA H 1 4.351 0.048 A 6 ILE HB H 1 1.916 0.066 A 6 ILE HD1% H 1 0.733 0.007 A 6 ILE C C 13 174.538 0.5 A 6 ILE CA C 13 60.114 0.4 A 6 ILE CB C 13 38.76 0.5 A 6 ILE CD1 C 13 12.303 0.112 A 6 ILE CG1 C 13 26.782 0.5 A 6 ILE CG2 C 13 16.888 0.5 A 6 ILE N N 15 126.267 0.2 A 7 LEU H H 1 8.803 0.059 A 7 LEU HA H 1 4.427 0.047 A 7 LEU HBy H 1 1.631 0.033 A 7 LEU HBx H 1 1.131 0.018 A 7 LEU HDx% H 1 0.602 0.028 A 7 LEU C C 13 174.348 0.5 A 7 LEU CA C 13 53.515 0.241 A 7 LEU CB C 13 41.286 0.191 A 7 LEU CG C 13 25.611 0.5 A 7 LEU N N 15 126.13 0.2 A 8 ASN H H 1 8.927 0.031 A 8 ASN HA H 1 5.036 0.044 A 8 ASN HBy H 1 2.854 0.027 A 8 ASN HBx H 1 2.524 0.017 A 8 ASN HD2y H 1 7.04 0.027 A 8 ASN HD2x H 1 6.7 0.019 A 8 ASN C C 13 174.523 0.5 A 8 ASN CA C 13 51.478 0.44 A 8 ASN CB C 13 37.826 0.157 A 8 ASN N N 15 125.459 0.2 A 8 ASN ND2 N 15 111.608 0.003 A 9 LEU H H 1 7.561 0.041 A 9 LEU HA H 1 4.627 0.018 A 9 LEU HBy H 1 2.007 0.027 A 9 LEU HBx H 1 1.78 0.015 A 9 LEU HDx% H 1 0.759 0.022 A 9 LEU HG H 1 1.438 0.007 A 9 LEU C C 13 177.304 0.5 A 9 LEU CA C 13 53.238 0.305 A 9 LEU CB C 13 41.412 0.142 A 9 LEU CD1 C 13 22.525 0.134 A 9 LEU CG C 13 26.196 0.5 A 9 LEU N N 15 121.439 0.023 A 10 LYS H H 1 9.118 0.044 A 10 LYS HA H 1 3.895 0.019 A 10 LYS HB2 H 1 1.76 0.039 A 10 LYS HB3 H 1 1.76 0.039 A 10 LYS HE2 H 1 3.16 0.05 A 10 LYS HE3 H 1 3.16 0.05 A 10 LYS HG2 H 1 1.468 0.022 A 10 LYS HG3 H 1 1.468 0.022 A 10 LYS C C 13 179.513 0.5 A 10 LYS CA C 13 59.572 0.235 A 10 LYS CB C 13 31.798 0.088 A 10 LYS CD C 13 28.714 0.5 A 10 LYS CE C 13 41.74 0.5 A 10 LYS CG C 13 25.26 0.5 A 10 LYS N N 15 120.764 0.2 A 11 GLN H H 1 8.502 0.059 A 11 GLN HA H 1 4.319 0.011 A 11 GLN HBy H 1 2.192 0.01 A 11 GLN HBx H 1 1.856 0.078 A 11 GLN HE2y H 1 7.548 0.03 A 11 GLN HE2x H 1 6.808 0.05 A 11 GLN HG2 H 1 2.273 0.017 A 11 GLN HG3 H 1 2.273 0.017 A 11 GLN C C 13 175.431 0.5 A 11 GLN CA C 13 55.83 0.29 A 11 GLN CB C 13 29.193 0.055 A 11 GLN CG C 13 34.089 0.231 A 11 GLN N N 15 113.281 0.2 A 11 GLN NE2 N 15 112.384 0.003 A 12 ALA H H 1 7.012 0.045 A 12 ALA HA H 1 4.346 0.032 A 12 ALA HB% H 1 1.301 0.019 A 12 ALA C C 13 174.319 0.5 A 12 ALA CA C 13 52.243 0.283 A 12 ALA CB C 13 21.442 0.036 A 12 ALA N N 15 119.764 0.2 A 13 LYS H H 1 8.243 0.048 A 13 LYS HA H 1 5.265 0.017 A 13 LYS HB2 H 1 1.71 0.049 A 13 LYS HB3 H 1 1.71 0.049 A 13 LYS HG2 H 1 1.351 0.026 A 13 LYS HG3 H 1 1.351 0.026 A 13 LYS C C 13 176.367 0.5 A 13 LYS CA C 13 55.065 0.193 A 13 LYS CB C 13 33.613 0.097 A 13 LYS CD C 13 28.948 0.5 A 13 LYS CE C 13 41.891 0.5 A 13 LYS CG C 13 24.557 0.5 A 13 LYS N N 15 120.817 0.02 A 14 GLU H H 1 8.546 0.062 A 14 GLU HA H 1 4.749 0.03 A 14 GLU HBy H 1 2.036 0.042 A 14 GLU HBx H 1 1.803 0.042 A 14 GLU HG2 H 1 2.138 0.05 A 14 GLU HG3 H 1 2.138 0.05 A 14 GLU C C 13 174.011 0.5 A 14 GLU CA C 13 54.677 0.289 A 14 GLU CB C 13 34.283 0.391 A 14 GLU CG C 13 36.09 0.5 A 14 GLU N N 15 123.44 0.025 A 15 GLU H H 1 8.597 0.047 A 15 GLU HA H 1 5.497 0.028 A 15 GLU HB2 H 1 1.931 0.048 A 15 GLU HB3 H 1 1.931 0.048 A 15 GLU HG2 H 1 2.093 0.055 A 15 GLU HG3 H 1 2.093 0.055 A 15 GLU C C 13 175.46 0.5 A 15 GLU CA C 13 54.509 0.224 A 15 GLU CB C 13 34.081 0.148 A 15 GLU CG C 13 36.888 0.278 A 15 GLU N N 15 119.93 0.2 A 16 ALA H H 1 8.985 0.072 A 16 ALA HA H 1 4.861 0.009 A 16 ALA HB% H 1 1.529 0.014 A 16 ALA C C 13 174.919 0.5 A 16 ALA CA C 13 51.036 0.292 A 16 ALA CB C 13 22.555 0.005 A 16 ALA N N 15 124.293 0.2 A 17 ILE H H 1 8.591 0.059 A 17 ILE HA H 1 5.548 0.032 A 17 ILE HB H 1 1.858 0.007 A 17 ILE HD1% H 1 0.564 0.017 A 17 ILE HG12 H 1 1.177 0.012 A 17 ILE HG13 H 1 1.177 0.012 A 17 ILE HG2% H 1 0.964 0.025 A 17 ILE C C 13 175.694 0.5 A 17 ILE CA C 13 59.573 0.288 A 17 ILE CB C 13 42.149 0.197 A 17 ILE CD1 C 13 12.727 0.239 A 17 ILE CG1 C 13 27.008 0.318 A 17 ILE CG2 C 13 17.922 0.01 A 17 ILE N N 15 116.494 0.2 A 18 LYS H H 1 9.09 0.039 A 18 LYS HA H 1 4.385 0.034 A 18 LYS HBy H 1 1.481 0.066 A 18 LYS HBx H 1 1.294 0.041 A 18 LYS HD2 H 1 0.941 0.04 A 18 LYS HD3 H 1 0.941 0.04 A 18 LYS HG2 H 1 0.352 0.062 A 18 LYS HG3 H 1 0.352 0.062 A 18 LYS C C 13 173.792 0.5 A 18 LYS CA C 13 54.872 0.221 A 18 LYS CB C 13 37.071 0.131 A 18 LYS CD C 13 27.194 0.043 A 18 LYS CG C 13 23.881 0.147 A 18 LYS N N 15 123.297 0.016 A 19 GLU H H 1 8.763 0.046 A 19 GLU HA H 1 5.048 0.047 A 19 GLU HB2 H 1 1.883 0.03 A 19 GLU HB3 H 1 1.883 0.03 A 19 GLU HG2 H 1 2.232 0.036 A 19 GLU HG3 H 1 2.232 0.036 A 19 GLU C C 13 175.972 0.5 A 19 GLU CA C 13 54.989 0.434 A 19 GLU CB C 13 29.279 0.096 A 19 GLU CG C 13 35.212 0.5 A 19 GLU N N 15 129.931 0.2 A 20 ALA H H 1 9.331 0.036 A 20 ALA HA H 1 4.797 0.006 A 20 ALA HB% H 1 1.303 0.013 A 20 ALA C C 13 177.714 0.5 A 20 ALA CA C 13 50.658 0.131 A 20 ALA CB C 13 23.421 0.037 A 20 ALA N N 15 127.472 0.2 A 21 VAL H H 1 8.511 0.046 A 21 VAL HA H 1 4.157 0.012 A 21 VAL HB H 1 2.145 0.017 A 21 VAL HGx% H 1 0.966 0.037 A 21 VAL C C 13 176.075 0.5 A 21 VAL CA C 13 63.479 0.158 A 21 VAL CB C 13 31.962 0.275 A 21 VAL CG1 C 13 20.401 0.053 A 21 VAL N N 15 115.345 0.2 A 22 ASP H H 1 7.085 0.051 A 22 ASP HA H 1 4.838 0.023 A 22 ASP HB2 H 1 2.894 0.054 A 22 ASP HB3 H 1 2.894 0.054 A 22 ASP C C 13 174.889 0.5 A 22 ASP CA C 13 52.694 0.058 A 22 ASP CB C 13 42.898 0.261 A 22 ASP N N 15 114.505 0.2 A 23 ALA H H 1 8.509 0.039 A 23 ALA HA H 1 3.046 0.051 A 23 ALA HB% H 1 1.189 0.014 A 23 ALA C C 13 179.499 0.5 A 23 ALA CA C 13 54.523 0.473 A 23 ALA CB C 13 17.516 0.16 A 23 ALA N N 15 121.563 0.2 A 24 GLY H H 1 8.475 0.028 A 24 GLY HA2 H 1 3.737 0.02 A 24 GLY HA3 H 1 3.737 0.02 A 24 GLY C C 13 177.289 0.5 A 24 GLY CA C 13 46.771 0.126 A 24 GLY N N 15 108.327 0.2 A 25 ILE H H 1 7.679 0.062 A 25 ILE HA H 1 3.593 0.041 A 25 ILE HB H 1 1.71 0.017 A 25 ILE HD1% H 1 0.809 0.021 A 25 ILE HG12 H 1 1.306 0.031 A 25 ILE HG13 H 1 1.306 0.031 A 25 ILE C C 13 179.565 0.5 A 25 ILE CA C 13 63.226 0.19 A 25 ILE CB C 13 37.214 0.027 A 25 ILE CD1 C 13 11.476 0.116 A 25 ILE CG1 C 13 27.535 0.123 A 25 ILE CG2 C 13 17.122 0.5 A 25 ILE N N 15 123.383 0.024 A 26 ALA H H 1 6.773 0.049 A 26 ALA HA H 1 3.211 0.023 A 26 ALA HB% H 1 0.74 0.019 A 26 ALA C C 13 176.923 0.5 A 26 ALA CA C 13 55.334 0.292 A 26 ALA CB C 13 17.151 0.06 A 26 ALA N N 15 121.602 0.2 A 27 GLU H H 1 8.453 0.072 A 27 GLU HA H 1 2.8 0.012 A 27 GLU HBy H 1 2 0.037 A 27 GLU HBx H 1 1.845 0.03 A 27 GLU HG2 H 1 1.627 0.019 A 27 GLU HG3 H 1 1.627 0.019 A 27 GLU C C 13 177.392 0.5 A 27 GLU CA C 13 60.08 0.222 A 27 GLU CB C 13 29.227 0.005 A 27 GLU CG C 13 35.517 0.063 A 27 GLU N N 15 117.669 0.2 A 28 LYS H H 1 7.206 0.067 A 28 LYS HA H 1 3.635 0.016 A 28 LYS HB2 H 1 1.703 0.089 A 28 LYS HB3 H 1 1.703 0.089 A 28 LYS HE2 H 1 2.799 0.05 A 28 LYS HE3 H 1 2.799 0.05 A 28 LYS HG2 H 1 1.319 0.032 A 28 LYS HG3 H 1 1.319 0.032 A 28 LYS C C 13 179.089 0.5 A 28 LYS CA C 13 59.669 0.328 A 28 LYS CB C 13 32.317 0.145 A 28 LYS CE C 13 41.769 0.5 A 28 LYS CG C 13 24.967 0.5 A 28 LYS N N 15 116.18 0.2 A 29 TYR H H 1 6.97 0.063 A 29 TYR HA H 1 4.151 0.037 A 29 TYR HBy H 1 2.922 0.011 A 29 TYR HBx H 1 2.647 0.031 A 29 TYR HD1 H 1 7.086 0.028 A 29 TYR HD2 H 1 7.086 0.028 A 29 TYR HE1 H 1 6.583 0.055 A 29 TYR HE2 H 1 6.583 0.055 A 29 TYR C C 13 177.699 0.5 A 29 TYR CA C 13 60.943 0.196 A 29 TYR CB C 13 37.999 0.353 A 29 TYR CE1 C 13 122.843 0.5 A 29 TYR CE2 C 13 122.843 0.5 A 29 TYR N N 15 119.446 0.203 A 30 PHE H H 1 8.697 0.065 A 30 PHE HA H 1 4.484 0.033 A 30 PHE HBy H 1 3.293 0.025 A 30 PHE HBx H 1 2.925 0.024 A 30 PHE HDy H 1 6.843 0.023 A 30 PHE HDx H 1 6.757 0.071 A 30 PHE HE1 H 1 7.223 0.053 A 30 PHE HE2 H 1 7.223 0.053 A 30 PHE C C 13 178.665 0.5 A 30 PHE CA C 13 57.095 0.308 A 30 PHE CB C 13 37.691 0.141 A 30 PHE CD1 C 13 133.339 0.5 A 30 PHE CD2 C 13 133.339 0.5 A 30 PHE CE1 C 13 131.304 0.5 A 30 PHE CE2 C 13 131.304 0.5 A 30 PHE N N 15 118.833 0.2 A 31 LYS H H 1 8.823 0.043 A 31 LYS HA H 1 4.023 0.038 A 31 LYS HBy H 1 1.668 0.057 A 31 LYS HBx H 1 1.539 0.012 A 31 LYS HG2 H 1 1.048 0.012 A 31 LYS HG3 H 1 1.048 0.012 A 31 LYS C C 13 178.943 0.5 A 31 LYS CA C 13 59.745 0.231 A 31 LYS CB C 13 31.669 0.12 A 31 LYS CD C 13 28.772 0.5 A 31 LYS CE C 13 41.535 0.5 A 31 LYS CG C 13 25.435 0.5 A 31 LYS N N 15 121.569 0.2 A 32 LEU H H 1 7.066 0.058 A 32 LEU HA H 1 4.059 0.052 A 32 LEU HBy H 1 1.854 0.009 A 32 LEU HBx H 1 1.491 0.049 A 32 LEU HDx% H 1 0.805 0.011 A 32 LEU HG H 1 1.747 0.058 A 32 LEU C C 13 180.904 0.5 A 32 LEU CA C 13 57.861 0.136 A 32 LEU CB C 13 41.272 0.039 A 32 LEU CD1 C 13 23.104 0.142 A 32 LEU CG C 13 25.143 0.5 A 32 LEU N N 15 118.752 0.2 A 33 ILE H H 1 7.246 0.041 A 33 ILE HA H 1 3.746 0.023 A 33 ILE HB H 1 1.912 0.041 A 33 ILE HD1% H 1 0.713 0.011 A 33 ILE C C 13 178.767 0.5 A 33 ILE CA C 13 63.749 0.18 A 33 ILE CB C 13 37.561 0.051 A 33 ILE CD1 C 13 16.986 0.192 A 33 ILE CG1 C 13 27.309 0.5 A 33 ILE N N 15 118.948 0.2 A 34 ALA H H 1 8.489 0.049 A 34 ALA HA H 1 3.853 0.044 A 34 ALA HB% H 1 1.569 0.02 A 34 ALA C C 13 179.674 0.5 A 34 ALA CA C 13 55.064 0.145 A 34 ALA CB C 13 18.662 0.027 A 34 ALA N N 15 121.262 0.2 A 35 ASN H H 1 8.4 0.003 A 35 ASN HA H 1 4.564 0.059 A 35 ASN HB2 H 1 2.904 0.022 A 35 ASN HB3 H 1 2.904 0.022 A 35 ASN HD2y H 1 7.563 0.05 A 35 ASN HD2x H 1 6.789 0.005 A 35 ASN CA C 13 55.298 0.271 A 35 ASN CB C 13 38.224 0.5 A 35 ASN N N 15 116.229 0.2 A 35 ASN ND2 N 15 110.991 0.002 A 36 ALA H H 1 7.513 0.06 A 36 ALA HA H 1 4.215 0.02 A 36 ALA HB% H 1 1.458 0.029 A 36 ALA C C 13 178.811 0.5 A 36 ALA CA C 13 53.755 0.306 A 36 ALA CB C 13 19.006 0.378 A 36 ALA N N 15 120.518 0.2 A 37 LYS H H 1 7.515 0.03 A 37 LYS HA H 1 4.329 0.018 A 37 LYS HB2 H 1 1.819 0.069 A 37 LYS HB3 H 1 1.819 0.069 A 37 LYS HG2 H 1 1.411 0.013 A 37 LYS HG3 H 1 1.411 0.013 A 37 LYS C C 13 175.87 0.5 A 37 LYS CA C 13 56.065 0.268 A 37 LYS CB C 13 33.971 0.095 A 37 LYS CD C 13 28.831 0.5 A 37 LYS CE C 13 41.418 0.5 A 37 LYS CG C 13 24.85 0.5 A 37 LYS N N 15 116.281 0.141 A 38 THR H H 1 7.989 0.051 A 38 THR HA H 1 4.266 0.06 A 38 THR HB H 1 4.062 0.023 A 38 THR HG2% H 1 1.308 0.003 A 38 THR CA C 13 61.281 0.295 A 38 THR CB C 13 69.124 0.5 A 38 THR CG2 C 13 21.195 0.5 A 38 THR N N 15 113.67 0.2 A 39 VAL H H 1 8.276 0.061 A 39 VAL HA H 1 4.244 0.04 A 39 VAL HB H 1 2.041 0.003 A 39 VAL CA C 13 62.307 0.248 A 39 VAL CB C 13 32.795 0.5 A 39 VAL N N 15 120.752 0.2 A 40 GLU H H 1 8.634 0.069 A 40 GLU HA H 1 4.559 0.032 A 40 GLU HBy H 1 2.141 0.042 A 40 GLU HBx H 1 1.96 0.043 A 40 GLU HG2 H 1 2.211 0.05 A 40 GLU HG3 H 1 2.211 0.05 A 40 GLU C C 13 175.489 0.5 A 40 GLU CA C 13 55.265 0.312 A 40 GLU CB C 13 30.554 0.239 A 40 GLU CG C 13 35.915 0.5 A 40 GLU N N 15 124.272 0.196 A 41 GLY H H 1 8.073 0.039 A 41 GLY HAy H 1 4.105 0.051 A 41 GLY HAx H 1 3.466 0.086 A 41 GLY C C 13 172.197 0.5 A 41 GLY CA C 13 45.12 0.231 A 41 GLY N N 15 107.742 0.2 A 42 VAL H H 1 8.181 0.158 A 42 VAL HA H 1 4.362 0.031 A 42 VAL HB H 1 1.956 0.018 A 42 VAL HGx% H 1 1.026 0.032 A 42 VAL C C 13 176.821 0.5 A 42 VAL CA C 13 62.184 0.275 A 42 VAL CB C 13 33.141 0.428 A 42 VAL CG1 C 13 20.969 0.012 A 42 VAL N N 15 120.317 0.019 A 43 TRP H H 1 9.414 0.043 A 43 TRP HA H 1 5.254 0.025 A 43 TRP HBy H 1 3.281 0.05 A 43 TRP HBx H 1 3.112 0.03 A 43 TRP HD1 H 1 7.316 0.033 A 43 TRP HE1 H 1 10.349 0.07 A 43 TRP HE3 H 1 7.613 0.018 A 43 TRP HZ2 H 1 7.205 0.026 A 43 TRP HZ3 H 1 6.533 0.04 A 43 TRP C C 13 177.172 0.5 A 43 TRP CA C 13 57.71 0.268 A 43 TRP CB C 13 29.747 0.058 A 43 TRP CD1 C 13 126.349 0.5 A 43 TRP CE3 C 13 120.096 0.081 A 43 TRP CZ2 C 13 114.456 0.5 A 43 TRP N N 15 131.015 0.003 A 43 TRP NE1 N 15 130.666 0.016 A 44 THR H H 1 9.29 0.02 A 44 THR HA H 1 4.78 0.029 A 44 THR HB H 1 4.184 0.017 A 44 THR HG2% H 1 1.167 0.025 A 44 THR C C 13 172.782 0.5 A 44 THR CA C 13 60.632 0.362 A 44 THR CB C 13 72.47 0.422 A 44 THR CG2 C 13 22.035 0.065 A 44 THR N N 15 114.88 0.2 A 45 TYR H H 1 8.683 0.054 A 45 TYR HA H 1 5.019 0.035 A 45 TYR HBy H 1 2.955 0.024 A 45 TYR HBx H 1 2.532 0.014 A 45 TYR HD1 H 1 7.168 0.017 A 45 TYR HD2 H 1 7.168 0.017 A 45 TYR HE1 H 1 6.345 0.048 A 45 TYR HE2 H 1 6.345 0.048 A 45 TYR C C 13 173.938 0.5 A 45 TYR CA C 13 56.66 0.028 A 45 TYR CB C 13 41.092 0.335 A 45 TYR N N 15 121.269 0.2 A 46 LYS H H 1 7.335 0.048 A 46 LYS HA H 1 4.329 0.009 A 46 LYS HBy H 1 1.595 0.027 A 46 LYS HBx H 1 1.316 0.035 A 46 LYS HEy H 1 2.877 0.023 A 46 LYS HEx H 1 2.504 0.05 A 46 LYS HG2 H 1 0.879 0.05 A 46 LYS HG3 H 1 0.879 0.05 A 46 LYS C C 13 175.46 0.5 A 46 LYS CA C 13 53.937 0.38 A 46 LYS CB C 13 33.854 0.085 A 46 LYS CD C 13 29.007 0.5 A 46 LYS CE C 13 41.418 0.5 A 46 LYS CG C 13 24.674 0.5 A 46 LYS N N 15 128.474 0.2 A 47 ASP H H 1 8.756 0.045 A 47 ASP HA H 1 4.007 0.003 A 47 ASP HBy H 1 2.882 0.025 A 47 ASP HBx H 1 2.43 0.024 A 47 ASP C C 13 179.557 0.5 A 47 ASP CA C 13 57.247 0.281 A 47 ASP CB C 13 42.242 0.138 A 47 ASP N N 15 126.611 0.2 A 48 GLU H H 1 9.789 0.024 A 48 GLU HA H 1 4.068 0.038 A 48 GLU HB2 H 1 1.954 0.023 A 48 GLU HB3 H 1 1.954 0.023 A 48 GLU HG2 H 1 2.298 0.044 A 48 GLU HG3 H 1 2.298 0.044 A 48 GLU C C 13 177.392 0.5 A 48 GLU CA C 13 59.787 0.237 A 48 GLU CB C 13 28.749 0.1 A 48 GLU CG C 13 36.16 0.141 A 48 GLU N N 15 118.38 0.002 A 49 ILE H H 1 6.363 0.054 A 49 ILE HA H 1 4.582 0.025 A 49 ILE HB H 1 2.19 0.008 A 49 ILE HD1% H 1 0.801 0.011 A 49 ILE HG2% H 1 0.828 0.026 A 49 ILE C C 13 175.943 0.5 A 49 ILE CA C 13 60.145 0.249 A 49 ILE CB C 13 38.108 0.483 A 49 ILE CD1 C 13 12.778 0.029 A 49 ILE CG1 C 13 26.782 0.5 A 49 ILE CG2 C 13 17.843 0.034 A 49 ILE N N 15 105.619 0.2 A 50 LYS H H 1 7.842 0.039 A 50 LYS HA H 1 4.214 0.032 A 50 LYS HB2 H 1 1.923 0.034 A 50 LYS HB3 H 1 1.923 0.034 A 50 LYS HG2 H 1 1.144 0.017 A 50 LYS HG3 H 1 1.144 0.017 A 50 LYS C C 13 174.904 0.5 A 50 LYS CA C 13 55.77 0.328 A 50 LYS CB C 13 29.234 0.004 A 50 LYS CD C 13 27.601 0.5 A 50 LYS CE C 13 42.237 0.5 A 50 LYS CG C 13 23.738 0.5 A 50 LYS N N 15 124.337 0.016 A 51 THR H H 1 7.018 0.043 A 51 THR HA H 1 5.672 0.088 A 51 THR HB H 1 3.463 0.009 A 51 THR HG2% H 1 0.966 0.016 A 51 THR C C 13 173.909 0.5 A 51 THR CA C 13 62.09 0.22 A 51 THR CB C 13 73.029 0.438 A 51 THR CG2 C 13 20.657 0.264 A 51 THR N N 15 109.49 0.2 A 52 PHE H H 1 10.23 0.029 A 52 PHE HA H 1 5.573 0.023 A 52 PHE HBy H 1 3.188 0.029 A 52 PHE HBx H 1 3.09 0.075 A 52 PHE HD1 H 1 7.811 0.021 A 52 PHE HD2 H 1 7.811 0.021 A 52 PHE HE1 H 1 7.126 0.065 A 52 PHE HE2 H 1 7.126 0.065 A 52 PHE C C 13 174.231 0.5 A 52 PHE CA C 13 57.059 0.315 A 52 PHE CB C 13 42.1 0.129 A 52 PHE CD1 C 13 132.607 0.5 A 52 PHE CD2 C 13 132.607 0.5 A 52 PHE CE1 C 13 131 0.5 A 52 PHE CE2 C 13 131 0.5 A 52 PHE N N 15 130.891 0.2 A 53 THR H H 1 9.127 0.032 A 53 THR HA H 1 5.175 0.027 A 53 THR HB H 1 3.792 0.017 A 53 THR HG2% H 1 0.988 0.016 A 53 THR C C 13 172.402 0.5 A 53 THR CA C 13 61.362 0.174 A 53 THR CB C 13 70.678 0.449 A 53 THR CG2 C 13 20.593 0.017 A 53 THR N N 15 118.169 0.2 A 54 VAL H H 1 8.492 0.055 A 54 VAL HA H 1 4.444 0.023 A 54 VAL HB H 1 0.639 0.036 A 54 VAL HGx% H 1 0.196 0.043 A 54 VAL HGy% H 1 -0.688 0.012 A 54 VAL C C 13 173.821 0.5 A 54 VAL CA C 13 59.469 0.334 A 54 VAL CB C 13 32.849 0.296 A 54 VAL CG1 C 13 19.678 0.007 A 54 VAL CG2 C 13 19.679 0.5 A 54 VAL N N 15 124.916 0.2 A 55 THR H H 1 8.302 0.036 A 55 THR HA H 1 4.827 0.056 A 55 THR HB H 1 3.914 0.018 A 55 THR HG2% H 1 1.223 0.023 A 55 THR C C 13 173.806 0.5 A 55 THR CA C 13 60.881 0.028 A 55 THR CB C 13 71.267 0.495 A 55 THR CG2 C 13 21.026 0.09 A 55 THR N N 15 122.431 0.2 A 56 GLU H H 1 7.844 0.028 A 56 GLU HA H 1 4.174 0.042 A 56 GLU HBy H 1 1.987 0.03 A 56 GLU HBx H 1 1.91 0.035 A 56 GLU CA C 13 58.437 0.266 A 56 GLU CB C 13 31.831 0.5 A 56 GLU N N 15 131.438 0.083 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 1 THR HA A 1 THR HG2% 1.0 1.8 4.0 2 2 A 1 THR HG2% A 1 THR HB 1.0 1.8 4.0 3 3 A 1 THR HA A 1 THR HG2% 1.0 1.8 4.0 4 4 A 1 THR HG2% A 1 THR HB 1.0 1.8 5.5 5 5 A 1 THR HG2% A 2 THR H 1.0 1.8 5.5 6 6 A 2 THR HA A 2 THR HG2% 1.0 1.8 4.0 7 7 A 2 THR H A 2 THR HA 1.0 1.8 4.0 8 8 A 2 THR HG2% A 2 THR HB 1.0 1.8 4.0 9 9 A 2 THR H A 2 THR HB 1.0 1.8 5.5 10 10 A 2 THR HG2% A 2 THR HB 1.0 1.8 3.0 11 11 A 3 TYR HA A 3 TYR HBx 1.0 1.8 5.5 12 12 A 3 TYR HA A 3 TYR HBy 1.0 2.8 6.0 13 13 A 3 TYR HA A 3 TYR HD% 1.0 1.8 5.5 14 14 A 3 TYR HA A 3 TYR H 1.0 1.8 4.0 15 15 A 3 TYR HA A 3 TYR HBx 1.0 1.8 5.5 16 16 A 3 TYR HA A 3 TYR HBy 1.0 2.8 6.0 17 17 A 3 TYR HBx A 3 TYR HBy 1.0 1.8 4.0 18 18 A 3 TYR HBx A 3 TYR HBy 1.0 1.8 5.5 19 19 A 3 TYR HBx A 3 TYR HD% 1.0 1.8 5.5 20 20 A 3 TYR HBy A 3 TYR HD% 1.0 1.8 5.5 21 21 A 3 TYR HBx A 3 TYR H 1.0 1.8 5.5 22 22 A 3 TYR HBy A 3 TYR H 1.0 1.8 5.5 23 23 A 3 TYR HBx A 26 ALA HB% 1.0 2.8 6.0 24 24 A 3 TYR HBx A 52 PHE HD% 1.0 2.8 6.0 25 25 A 4 LYS HA A 4 LYS HBy 1.0 1.8 4.0 26 26 A 4 LYS HA A 4 LYS HG2 1.0 1.8 5.5 27 26 A 4 LYS HA A 4 LYS HG3 1.0 1.8 5.5 28 27 A 4 LYS HA A 4 LYS H 1.0 1.8 4.0 29 28 A 4 LYS HA A 5 LEU HBx 1.0 1.8 5.5 30 29 A 4 LYS HA A 16 ALA H 1.0 2.8 6.0 31 30 A 4 LYS HA A 17 ILE HA 1.0 1.8 4.0 32 31 A 4 LYS HA A 30 PHE HE% 1.0 1.8 5.5 33 32 A 4 LYS HA A 4 LYS HBx 1.0 1.8 5.5 34 33 A 4 LYS HA A 4 LYS HBy 1.0 1.8 5.5 35 34 A 4 LYS HBy A 4 LYS HBx 1.0 1.8 3.0 36 35 A 4 LYS HBx A 4 LYS HG2 1.0 1.8 4.0 37 35 A 4 LYS HG3 A 4 LYS HBx 1.0 1.8 4.0 38 36 A 4 LYS HBy A 4 LYS HG2 1.0 1.8 5.5 39 36 A 4 LYS HBy A 4 LYS HG3 1.0 1.8 5.5 40 37 A 4 LYS H A 4 LYS HBx 1.0 1.8 5.5 41 38 A 4 LYS HBy A 4 LYS H 1.0 1.8 5.5 42 39 A 17 ILE HA A 4 LYS HBx 1.0 1.8 5.5 43 40 A 4 LYS HBy A 17 ILE HA 1.0 2.8 6.0 44 41 A 4 LYS HBy A 4 LYS HE2 1.0 1.8 5.5 45 41 A 4 LYS HBy A 4 LYS HE3 1.0 1.8 5.5 46 42 A 4 LYS HE3 A 4 LYS HG2 1.0 1.8 4.0 47 42 A 4 LYS HG3 A 4 LYS HE2 1.0 1.8 4.0 48 42 A 4 LYS HG3 A 4 LYS HE3 1.0 1.8 4.0 49 42 A 4 LYS HE2 A 4 LYS HG2 1.0 1.8 4.0 50 43 A 5 LEU HA A 5 LEU H 1.0 2.8 6.0 51 44 A 5 LEU HA A 52 PHE HBy 1.0 2.8 6.0 52 45 A 5 LEU HBx A 5 LEU HA 1.0 2.8 6.0 53 46 A 5 LEU HA A 5 LEU HBy 1.0 2.8 6.0 54 47 A 5 LEU HBx A 5 LEU HBy 1.0 1.8 4.0 55 48 A 5 LEU HBx A 5 LEU HBy 1.0 1.8 4.0 56 49 A 5 LEU HBx A 5 LEU HBy 1.0 1.8 4.0 57 50 A 5 LEU HBx A 5 LEU HDx% 1.0 2.8 6.0 58 51 A 5 LEU HBy A 5 LEU HDx% 1.0 2.8 6.0 59 52 A 5 LEU HBx A 5 LEU HDy% 1.0 1.8 5.5 60 53 A 5 LEU HBy A 5 LEU HDy% 1.0 1.8 5.5 61 54 A 5 LEU HBx A 5 LEU HG 1.0 1.8 5.5 62 55 A 5 LEU HBy A 5 LEU HG 1.0 2.8 6.0 63 56 A 5 LEU HBx A 5 LEU H 1.0 1.8 5.5 64 57 A 5 LEU H A 5 LEU HBy 1.0 2.8 6.0 65 58 A 5 LEU HBx A 15 GLU HA 1.0 2.8 6.0 66 59 A 5 LEU HBy A 30 PHE HDx 1.0 2.8 6.0 67 60 A 5 LEU HBx A 30 PHE HE% 1.0 2.8 6.0 68 61 A 30 PHE HE% A 5 LEU HBy 1.0 2.8 6.0 69 62 A 5 LEU HBx A 6 ILE HA 1.0 1.8 4.0 70 63 A 6 ILE HA A 6 ILE HB 1.0 2.8 6.0 71 64 A 6 ILE HA A 6 ILE HD1% 1.0 1.8 4.0 72 65 A 6 ILE HA A 6 ILE H 1.0 2.8 6.0 73 66 A 6 ILE HA A 7 LEU H 1.0 1.8 4.0 74 67 A 6 ILE HA A 6 ILE HB 1.0 2.8 6.0 75 68 A 6 ILE HB A 6 ILE HD1% 1.0 1.8 4.0 76 69 A 6 ILE HB A 6 ILE H 1.0 1.8 4.0 77 70 A 6 ILE HB A 53 THR HA 1.0 1.8 5.5 78 71 A 6 ILE HA A 6 ILE HD1% 1.0 1.8 5.5 79 72 A 6 ILE HB A 6 ILE HD1% 1.0 1.8 5.5 80 73 A 7 LEU HA A 7 LEU HBx 1.0 1.8 5.5 81 74 A 7 LEU HA A 7 LEU HBy 1.0 1.8 4.0 82 75 A 7 LEU HA A 7 LEU HDx% 1.0 1.8 4.0 83 76 A 7 LEU H A 7 LEU HA 1.0 1.8 4.0 84 77 A 7 LEU HA A 54 VAL HGx% 1.0 2.8 6.0 85 78 A 7 LEU HA A 54 VAL H 1.0 2.8 6.0 86 79 A 7 LEU HA A 7 LEU HBx 1.0 1.8 5.5 87 80 A 7 LEU HA A 7 LEU HBy 1.0 1.8 5.5 88 81 A 7 LEU HBx A 7 LEU HBy 1.0 1.8 4.0 89 82 A 7 LEU HBx A 7 LEU HBy 1.0 1.8 4.0 90 83 A 7 LEU HBx A 7 LEU HDx% 1.0 1.8 4.0 91 84 A 7 LEU HBy A 7 LEU HDx% 1.0 1.8 4.0 92 85 A 7 LEU H A 7 LEU HBx 1.0 1.8 5.5 93 86 A 7 LEU H A 7 LEU HBy 1.0 1.8 5.5 94 87 A 7 LEU HBx A 14 GLU H 1.0 1.8 5.5 95 88 A 7 LEU HBy A 14 GLU H 1.0 2.8 6.0 96 89 A 7 LEU HBy A 54 VAL HGx% 1.0 2.8 6.0 97 90 A 8 ASN HA A 8 ASN HBx 1.0 2.8 6.0 98 91 A 8 ASN HA A 8 ASN HBy 1.0 2.8 6.0 99 92 A 8 ASN HA A 8 ASN H 1.0 2.8 6.0 100 93 A 8 ASN HA A 8 ASN HBx 1.0 1.8 5.5 101 94 A 8 ASN HA A 8 ASN HBy 1.0 1.8 5.5 102 95 A 8 ASN HBx A 8 ASN HBy 1.0 1.8 3.0 103 96 A 8 ASN HBx A 8 ASN HD2y 1.0 1.8 5.5 104 97 A 8 ASN HBy A 8 ASN HD2y 1.0 2.8 6.0 105 98 A 8 ASN HBx A 8 ASN HD2x 1.0 2.8 6.0 106 99 A 8 ASN HBx A 8 ASN H 1.0 1.8 5.5 107 100 A 8 ASN HBy A 8 ASN H 1.0 1.8 5.5 108 101 A 8 ASN HBx A 55 THR HA 1.0 2.8 6.0 109 102 A 8 ASN HBy A 55 THR HA 1.0 2.8 6.0 110 103 A 8 ASN HBx A 55 THR HG2% 1.0 1.8 5.5 111 104 A 8 ASN HBy A 55 THR HG2% 1.0 1.8 5.5 112 105 A 9 LEU HA A 9 LEU HBx 1.0 1.8 5.5 113 106 A 9 LEU HA A 9 LEU HBy 1.0 1.8 5.5 114 107 A 9 LEU HA A 9 LEU H 1.0 2.8 6.0 115 108 A 9 LEU HA A 10 LYS H 1.0 1.8 4.0 116 109 A 9 LEU HA A 9 LEU HBx 1.0 2.8 6.0 117 110 A 9 LEU HA A 9 LEU HBy 1.0 1.8 5.5 118 111 A 9 LEU HBx A 9 LEU HBy 1.0 1.8 4.0 119 112 A 9 LEU HBx A 9 LEU HBy 1.0 1.8 4.0 120 113 A 9 LEU HBx A 9 LEU HDx% 1.0 1.8 5.5 121 114 A 9 LEU HBy A 9 LEU HDx% 1.0 1.8 5.5 122 115 A 9 LEU HBx A 9 LEU HG 1.0 1.8 5.5 123 116 A 9 LEU HBy A 9 LEU HG 1.0 1.8 5.5 124 117 A 9 LEU HBx A 9 LEU H 1.0 2.8 6.0 125 118 A 9 LEU HBy A 9 LEU H 1.0 2.8 6.0 126 119 A 9 LEU HBx A 10 LYS H 1.0 2.8 6.0 127 120 A 9 LEU HBy A 10 LYS H 1.0 1.8 5.5 128 121 A 9 LEU HBy A 9 LEU HDx% 1.0 2.8 6.0 129 122 A 10 LYS HA A 10 LYS HB2 1.0 1.8 4.0 130 122 A 10 LYS HA A 10 LYS HB3 1.0 1.8 4.0 131 123 A 10 LYS HA A 10 LYS HG2 1.0 1.8 4.0 132 123 A 10 LYS HA A 10 LYS HG3 1.0 1.8 4.0 133 124 A 10 LYS H A 10 LYS HA 1.0 1.8 4.0 134 125 A 10 LYS HA A 11 GLN H 1.0 1.8 5.5 135 126 A 10 LYS HA A 10 LYS HB2 1.0 2.8 6.0 136 126 A 10 LYS HA A 10 LYS HB3 1.0 2.8 6.0 137 127 A 10 LYS HB3 A 10 LYS HE2 1.0 2.8 6.0 138 127 A 10 LYS HB2 A 10 LYS HE2 1.0 2.8 6.0 139 127 A 10 LYS HE3 A 10 LYS HB2 1.0 2.8 6.0 140 127 A 10 LYS HB3 A 10 LYS HE3 1.0 2.8 6.0 141 128 A 10 LYS HB3 A 10 LYS HG2 1.0 1.8 4.0 142 128 A 10 LYS HB2 A 10 LYS HG2 1.0 1.8 4.0 143 128 A 10 LYS HG3 A 10 LYS HB2 1.0 1.8 4.0 144 128 A 10 LYS HB3 A 10 LYS HG3 1.0 1.8 4.0 145 129 A 10 LYS H A 10 LYS HB2 1.0 1.8 5.5 146 129 A 10 LYS H A 10 LYS HB3 1.0 1.8 5.5 147 130 A 11 GLN H A 10 LYS HB2 1.0 1.8 5.5 148 130 A 10 LYS HB3 A 11 GLN H 1.0 1.8 5.5 149 131 A 11 GLN HA A 11 GLN HBx 1.0 1.8 4.0 150 132 A 11 GLN HA A 11 GLN HBy 1.0 1.8 4.0 151 133 A 11 GLN HA A 11 GLN HE2y 1.0 1.8 5.5 152 134 A 11 GLN HA A 11 GLN HG2 1.0 1.8 4.0 153 134 A 11 GLN HA A 11 GLN HG3 1.0 1.8 4.0 154 135 A 11 GLN H A 11 GLN HA 1.0 1.8 5.5 155 136 A 11 GLN HA A 12 ALA H 1.0 1.8 5.5 156 137 A 11 GLN HA A 11 GLN HBx 1.0 1.8 4.0 157 138 A 11 GLN HA A 11 GLN HBy 1.0 1.8 4.0 158 139 A 11 GLN HBx A 11 GLN HBy 1.0 1.8 3.0 159 140 A 11 GLN HBx A 11 GLN HBy 1.0 1.8 3.0 160 141 A 11 GLN HBx A 11 GLN HG2 1.0 1.8 3.0 161 141 A 11 GLN HBx A 11 GLN HG3 1.0 1.8 3.0 162 142 A 11 GLN HBy A 11 GLN HG2 1.0 1.8 3.0 163 142 A 11 GLN HBy A 11 GLN HG3 1.0 1.8 3.0 164 143 A 11 GLN H A 11 GLN HBx 1.0 2.8 6.0 165 144 A 11 GLN HA A 11 GLN HG2 1.0 1.8 4.0 166 144 A 11 GLN HA A 11 GLN HG3 1.0 1.8 4.0 167 145 A 11 GLN HBx A 11 GLN HG2 1.0 1.8 4.0 168 145 A 11 GLN HBx A 11 GLN HG3 1.0 1.8 4.0 169 146 A 11 GLN HBy A 11 GLN HG2 1.0 1.8 4.0 170 146 A 11 GLN HBy A 11 GLN HG3 1.0 1.8 4.0 171 147 A 11 GLN H A 11 GLN HG2 1.0 2.8 6.0 172 147 A 11 GLN H A 11 GLN HG3 1.0 2.8 6.0 173 148 A 12 ALA HA A 12 ALA HB% 1.0 1.8 3.0 174 149 A 12 ALA H A 12 ALA HA 1.0 1.8 4.0 175 150 A 12 ALA HA A 13 LYS H 1.0 1.8 3.0 176 151 A 12 ALA HA A 12 ALA HB% 1.0 1.8 3.0 177 152 A 12 ALA H A 12 ALA HB% 1.0 1.8 4.0 178 153 A 12 ALA HB% A 13 LYS H 1.0 1.8 4.0 179 154 A 7 LEU HDx% A 13 LYS HA 1.0 2.8 6.0 180 155 A 9 LEU H A 13 LYS HA 1.0 2.8 6.0 181 156 A 13 LYS HA A 13 LYS HB2 1.0 2.8 6.0 182 156 A 13 LYS HA A 13 LYS HB3 1.0 2.8 6.0 183 157 A 13 LYS HA A 13 LYS HG2 1.0 2.8 6.0 184 157 A 13 LYS HA A 13 LYS HG3 1.0 2.8 6.0 185 158 A 13 LYS H A 13 LYS HA 1.0 2.8 6.0 186 159 A 14 GLU H A 13 LYS HA 1.0 1.8 4.0 187 160 A 13 LYS HA A 13 LYS HB2 1.0 1.8 4.0 188 160 A 13 LYS HA A 13 LYS HB3 1.0 1.8 4.0 189 161 A 13 LYS HB3 A 13 LYS HG2 1.0 1.8 4.0 190 161 A 13 LYS HB2 A 13 LYS HG2 1.0 1.8 4.0 191 161 A 13 LYS HG3 A 13 LYS HB2 1.0 1.8 4.0 192 161 A 13 LYS HB3 A 13 LYS HG3 1.0 1.8 4.0 193 162 A 13 LYS H A 13 LYS HB2 1.0 1.8 4.0 194 162 A 13 LYS H A 13 LYS HB3 1.0 1.8 4.0 195 163 A 14 GLU H A 13 LYS HB2 1.0 1.8 5.5 196 163 A 14 GLU H A 13 LYS HB3 1.0 1.8 5.5 197 164 A 14 GLU HA A 14 GLU HBx 1.0 2.8 6.0 198 165 A 14 GLU H A 14 GLU HA 1.0 1.8 4.0 199 166 A 7 LEU HDx% A 14 GLU HBx 1.0 1.8 5.5 200 167 A 7 LEU HDx% A 14 GLU HBy 1.0 1.8 5.5 201 168 A 14 GLU HA A 14 GLU HBx 1.0 1.8 5.5 202 169 A 14 GLU HA A 14 GLU HBy 1.0 1.8 5.5 203 170 A 14 GLU HBx A 14 GLU HBy 1.0 1.8 3.0 204 171 A 14 GLU HBx A 14 GLU HBy 1.0 1.8 4.0 205 172 A 14 GLU H A 14 GLU HBx 1.0 1.8 5.5 206 173 A 14 GLU H A 14 GLU HBy 1.0 1.8 4.0 207 174 A 5 LEU HG A 15 GLU HA 1.0 2.8 6.0 208 175 A 15 GLU HA A 6 ILE HA 1.0 1.8 5.5 209 176 A 15 GLU HA A 7 LEU HDx% 1.0 2.8 6.0 210 177 A 15 GLU HA A 7 LEU H 1.0 2.8 6.0 211 178 A 15 GLU HA A 15 GLU HB2 1.0 1.8 4.0 212 178 A 15 GLU HA A 15 GLU HB3 1.0 1.8 4.0 213 179 A 15 GLU HA A 15 GLU HG2 1.0 1.8 5.5 214 179 A 15 GLU HA A 15 GLU HG3 1.0 1.8 5.5 215 180 A 15 GLU HA A 15 GLU H 1.0 1.8 5.5 216 181 A 16 ALA H A 15 GLU HA 1.0 1.8 4.0 217 182 A 15 GLU HA A 15 GLU HB2 1.0 1.8 5.5 218 182 A 15 GLU HA A 15 GLU HB3 1.0 1.8 5.5 219 183 A 15 GLU HB3 A 15 GLU HG2 1.0 1.8 3.0 220 183 A 15 GLU HB2 A 15 GLU HG2 1.0 1.8 3.0 221 183 A 15 GLU HG3 A 15 GLU HB2 1.0 1.8 3.0 222 183 A 15 GLU HB3 A 15 GLU HG3 1.0 1.8 3.0 223 184 A 15 GLU H A 15 GLU HB2 1.0 2.8 6.0 224 184 A 15 GLU HB3 A 15 GLU H 1.0 2.8 6.0 225 185 A 16 ALA H A 15 GLU HB2 1.0 2.8 6.0 226 185 A 16 ALA H A 15 GLU HB3 1.0 2.8 6.0 227 186 A 6 ILE HD1% A 15 GLU HG2 1.0 1.8 5.5 228 186 A 6 ILE HD1% A 15 GLU HG3 1.0 1.8 5.5 229 187 A 13 LYS HG3 A 15 GLU HG2 1.0 2.8 6.0 230 187 A 13 LYS HG2 A 15 GLU HG2 1.0 2.8 6.0 231 187 A 15 GLU HG3 A 13 LYS HG2 1.0 2.8 6.0 232 187 A 13 LYS HG3 A 15 GLU HG3 1.0 2.8 6.0 233 188 A 15 GLU HA A 15 GLU HG2 1.0 1.8 5.5 234 188 A 15 GLU HA A 15 GLU HG3 1.0 1.8 5.5 235 189 A 15 GLU HB3 A 15 GLU HG2 1.0 1.8 4.0 236 189 A 15 GLU HB2 A 15 GLU HG2 1.0 1.8 4.0 237 189 A 15 GLU HG3 A 15 GLU HB2 1.0 1.8 4.0 238 189 A 15 GLU HB3 A 15 GLU HG3 1.0 1.8 4.0 239 190 A 15 GLU H A 15 GLU HG2 1.0 1.8 5.5 240 190 A 15 GLU HG3 A 15 GLU H 1.0 1.8 5.5 241 191 A 16 ALA HA A 16 ALA HB% 1.0 2.8 6.0 242 192 A 16 ALA H A 16 ALA HA 1.0 2.8 6.0 243 193 A 7 LEU HDx% A 16 ALA HB% 1.0 1.8 4.0 244 194 A 16 ALA HA A 16 ALA HB% 1.0 1.8 4.0 245 195 A 16 ALA H A 16 ALA HB% 1.0 1.8 4.0 246 196 A 16 ALA HB% A 17 ILE H 1.0 1.8 4.0 247 197 A 16 ALA HB% A 30 PHE HDy 1.0 3.3 6.5 248 198 A 30 PHE HE% A 16 ALA HB% 1.0 1.8 5.5 249 199 A 17 ILE HA A 5 LEU H 1.0 1.8 5.5 250 200 A 17 ILE HA A 17 ILE HB 1.0 1.8 4.0 251 201 A 17 ILE HA A 17 ILE HG12 1.0 2.8 6.0 252 201 A 17 ILE HA A 17 ILE HG13 1.0 2.8 6.0 253 202 A 17 ILE HA A 17 ILE HG2% 1.0 1.8 5.5 254 203 A 17 ILE HA A 17 ILE H 1.0 2.8 6.0 255 204 A 17 ILE HA A 18 LYS HBx 1.0 1.8 5.5 256 205 A 17 ILE HA A 18 LYS H 1.0 1.8 4.0 257 206 A 17 ILE HA A 30 PHE HE% 1.0 1.8 5.5 258 207 A 17 ILE HA A 17 ILE HB 1.0 1.8 4.0 259 208 A 17 ILE HB A 17 ILE HD1% 1.0 2.8 6.0 260 209 A 17 ILE HB A 17 ILE HG12 1.0 1.8 4.0 261 209 A 17 ILE HB A 17 ILE HG13 1.0 1.8 4.0 262 210 A 17 ILE HB A 17 ILE HG2% 1.0 1.8 4.0 263 211 A 17 ILE H A 17 ILE HB 1.0 2.8 6.0 264 212 A 17 ILE HB A 18 LYS H 1.0 1.8 5.5 265 213 A 30 PHE HE% A 17 ILE HB 1.0 1.8 5.5 266 214 A 17 ILE HD1% A 17 ILE HG12 1.0 1.8 4.0 267 214 A 17 ILE HG13 A 17 ILE HD1% 1.0 1.8 4.0 268 215 A 17 ILE HG2% A 17 ILE HD1% 1.0 1.8 5.5 269 216 A 17 ILE HD1% A 17 ILE HG12 1.0 1.8 4.0 270 216 A 17 ILE HG13 A 17 ILE HD1% 1.0 1.8 4.0 271 217 A 17 ILE HG2% A 17 ILE HG12 1.0 1.8 5.5 272 217 A 17 ILE HG13 A 17 ILE HG2% 1.0 1.8 5.5 273 218 A 17 ILE H A 17 ILE HG12 1.0 1.8 5.5 274 218 A 17 ILE H A 17 ILE HG13 1.0 1.8 5.5 275 219 A 17 ILE HA A 17 ILE HG2% 1.0 1.8 5.5 276 220 A 17 ILE HG2% A 17 ILE HD1% 1.0 1.8 5.5 277 221 A 17 ILE HB A 18 LYS HA 1.0 1.8 4.0 278 222 A 18 LYS HBx A 18 LYS HA 1.0 1.8 4.0 279 223 A 18 LYS HA A 18 LYS HG2 1.0 2.8 6.0 280 223 A 18 LYS HA A 18 LYS HG3 1.0 2.8 6.0 281 224 A 18 LYS H A 18 LYS HA 1.0 1.8 5.5 282 225 A 18 LYS HA A 19 GLU H 1.0 1.8 4.0 283 226 A 30 PHE HE% A 18 LYS HA 1.0 2.8 6.0 284 227 A 18 LYS HBx A 18 LYS HA 1.0 1.8 5.5 285 228 A 18 LYS HA A 18 LYS HBy 1.0 2.8 6.0 286 229 A 18 LYS HBx A 18 LYS HBy 1.0 1.8 4.0 287 230 A 18 LYS HBx A 18 LYS HBy 1.0 1.8 4.0 288 231 A 18 LYS HBx A 18 LYS HD2 1.0 2.8 6.0 289 231 A 18 LYS HBx A 18 LYS HD3 1.0 2.8 6.0 290 232 A 18 LYS HBx A 18 LYS HG2 1.0 1.8 5.5 291 232 A 18 LYS HBx A 18 LYS HG3 1.0 1.8 5.5 292 233 A 18 LYS HBy A 18 LYS HG2 1.0 1.8 4.0 293 233 A 18 LYS HG3 A 18 LYS HBy 1.0 1.8 4.0 294 234 A 18 LYS HBx A 18 LYS H 1.0 2.8 6.0 295 235 A 18 LYS H A 18 LYS HBy 1.0 2.8 6.0 296 236 A 26 ALA HB% A 18 LYS HBx 1.0 1.8 5.5 297 237 A 26 ALA HB% A 18 LYS HBy 1.0 1.8 5.5 298 238 A 30 PHE HDy A 18 LYS HBy 1.0 2.8 6.0 299 239 A 30 PHE HE% A 18 LYS HBx 1.0 2.8 6.0 300 240 A 30 PHE HE% A 18 LYS HBy 1.0 1.8 5.5 301 241 A 18 LYS HBx A 30 PHE H 1.0 2.8 6.0 302 242 A 18 LYS HBy A 30 PHE H 1.0 2.8 6.0 303 243 A 18 LYS HBx A 18 LYS HD2 1.0 1.8 5.5 304 243 A 18 LYS HBx A 18 LYS HD3 1.0 1.8 5.5 305 244 A 3 TYR HBy A 18 LYS HG2 1.0 1.8 4.0 306 244 A 3 TYR HBy A 18 LYS HG3 1.0 1.8 4.0 307 245 A 3 TYR HD% A 18 LYS HG2 1.0 1.8 5.5 308 245 A 3 TYR HD% A 18 LYS HG3 1.0 1.8 5.5 309 246 A 18 LYS HA A 18 LYS HG2 1.0 2.8 6.0 310 246 A 18 LYS HA A 18 LYS HG3 1.0 2.8 6.0 311 247 A 18 LYS HBx A 18 LYS HG2 1.0 1.8 5.5 312 247 A 18 LYS HBx A 18 LYS HG3 1.0 1.8 5.5 313 248 A 18 LYS HBy A 18 LYS HG2 1.0 1.8 4.0 314 248 A 18 LYS HG3 A 18 LYS HBy 1.0 1.8 4.0 315 249 A 18 LYS HD3 A 18 LYS HG2 1.0 1.8 5.5 316 249 A 18 LYS HD2 A 18 LYS HG2 1.0 1.8 5.5 317 249 A 18 LYS HG3 A 18 LYS HD2 1.0 1.8 5.5 318 249 A 18 LYS HG3 A 18 LYS HD3 1.0 1.8 5.5 319 250 A 18 LYS H A 18 LYS HG2 1.0 1.8 4.0 320 250 A 18 LYS H A 18 LYS HG3 1.0 1.8 4.0 321 251 A 30 PHE HDx A 18 LYS HG2 1.0 1.8 4.0 322 251 A 30 PHE HDx A 18 LYS HG3 1.0 1.8 4.0 323 252 A 2 THR HA A 19 GLU HA 1.0 1.8 3.0 324 253 A 19 GLU HA A 19 GLU HB2 1.0 2.8 6.0 325 253 A 19 GLU HA A 19 GLU HB3 1.0 2.8 6.0 326 254 A 19 GLU HA A 20 ALA H 1.0 1.8 4.0 327 255 A 19 GLU HA A 19 GLU HB2 1.0 1.8 5.5 328 255 A 19 GLU HA A 19 GLU HB3 1.0 1.8 5.5 329 256 A 19 GLU H A 19 GLU HB2 1.0 1.8 4.0 330 256 A 19 GLU H A 19 GLU HB3 1.0 1.8 4.0 331 257 A 20 ALA HB% A 20 ALA HA 1.0 1.8 4.0 332 258 A 20 ALA H A 20 ALA HB% 1.0 1.8 5.5 333 259 A 20 ALA HB% A 21 VAL H 1.0 1.8 4.0 334 260 A 20 ALA HB% A 22 ASP H 1.0 1.8 4.0 335 261 A 21 VAL HA A 21 VAL HB 1.0 1.8 4.0 336 262 A 21 VAL HA A 21 VAL HGx% 1.0 1.8 4.0 337 263 A 21 VAL H A 21 VAL HA 1.0 1.8 4.0 338 264 A 22 ASP H A 21 VAL HA 1.0 2.8 6.0 339 265 A 21 VAL HA A 21 VAL HB 1.0 1.8 4.0 340 266 A 21 VAL HB A 21 VAL HGx% 1.0 1.8 3.0 341 267 A 21 VAL H A 21 VAL HB 1.0 1.8 5.5 342 268 A 22 ASP H A 21 VAL HB 1.0 2.8 6.0 343 269 A 21 VAL HA A 21 VAL HGx% 1.0 1.8 4.0 344 270 A 21 VAL HB A 21 VAL HGx% 1.0 1.8 3.0 345 271 A 21 VAL H A 21 VAL HGx% 1.0 1.8 3.0 346 272 A 22 ASP H A 21 VAL HGx% 1.0 1.8 4.0 347 273 A 22 ASP HA A 22 ASP HB2 1.0 1.8 5.5 348 273 A 22 ASP HB3 A 22 ASP HA 1.0 1.8 5.5 349 274 A 23 ALA H A 22 ASP HB2 1.0 1.8 5.5 350 274 A 22 ASP HB3 A 23 ALA H 1.0 1.8 5.5 351 275 A 3 TYR HD% A 23 ALA HA 1.0 1.8 5.5 352 276 A 23 ALA HA A 23 ALA HB% 1.0 1.8 4.0 353 277 A 23 ALA H A 23 ALA HA 1.0 1.8 4.0 354 278 A 26 ALA HB% A 23 ALA HA 1.0 1.8 5.5 355 279 A 23 ALA HA A 26 ALA H 1.0 2.8 6.0 356 280 A 23 ALA HA A 23 ALA HB% 1.0 1.8 4.0 357 281 A 23 ALA H A 23 ALA HB% 1.0 1.8 4.0 358 282 A 23 ALA HB% A 24 GLY HA2 1.0 2.8 6.0 359 282 A 23 ALA HB% A 24 GLY HA3 1.0 2.8 6.0 360 283 A 24 GLY H A 24 GLY HA2 1.0 1.8 4.0 361 283 A 24 GLY HA3 A 24 GLY H 1.0 1.8 4.0 362 284 A 25 ILE H A 24 GLY HA2 1.0 1.8 5.5 363 284 A 24 GLY HA3 A 25 ILE H 1.0 1.8 5.5 364 285 A 27 GLU HA A 24 GLY HA2 1.0 2.8 6.0 365 285 A 24 GLY HA3 A 27 GLU HA 1.0 2.8 6.0 366 286 A 27 GLU HBy A 24 GLY HA2 1.0 1.8 5.5 367 286 A 24 GLY HA3 A 27 GLU HBy 1.0 1.8 5.5 368 287 A 24 GLY HA3 A 27 GLU HG2 1.0 2.8 6.0 369 287 A 24 GLY HA2 A 27 GLU HG2 1.0 2.8 6.0 370 287 A 27 GLU HG3 A 24 GLY HA2 1.0 2.8 6.0 371 287 A 24 GLY HA3 A 27 GLU HG3 1.0 2.8 6.0 372 288 A 27 GLU H A 24 GLY HA2 1.0 1.8 4.0 373 288 A 24 GLY HA3 A 27 GLU H 1.0 1.8 4.0 374 289 A 25 ILE HA A 25 ILE HB 1.0 1.8 4.0 375 290 A 25 ILE HA A 25 ILE HD1% 1.0 1.8 3.0 376 291 A 25 ILE HA A 25 ILE HG12 1.0 1.8 4.0 377 291 A 25 ILE HA A 25 ILE HG13 1.0 1.8 4.0 378 292 A 25 ILE H A 25 ILE HA 1.0 1.8 5.5 379 293 A 26 ALA H A 25 ILE HA 1.0 2.8 6.0 380 294 A 22 ASP HA A 25 ILE HB 1.0 2.8 6.0 381 295 A 25 ILE HA A 25 ILE HB 1.0 1.8 5.5 382 296 A 25 ILE HB A 25 ILE HD1% 1.0 1.8 4.0 383 297 A 25 ILE HB A 25 ILE HG12 1.0 1.8 4.0 384 297 A 25 ILE HB A 25 ILE HG13 1.0 1.8 4.0 385 298 A 25 ILE H A 25 ILE HB 1.0 1.8 4.0 386 299 A 26 ALA H A 25 ILE HB 1.0 1.8 5.5 387 300 A 25 ILE HA A 25 ILE HD1% 1.0 1.8 5.5 388 301 A 25 ILE HB A 25 ILE HD1% 1.0 1.8 4.0 389 302 A 25 ILE HD1% A 25 ILE HG12 1.0 1.8 4.0 390 302 A 25 ILE HD1% A 25 ILE HG13 1.0 1.8 4.0 391 303 A 25 ILE H A 25 ILE HD1% 1.0 2.8 6.0 392 304 A 25 ILE HA A 25 ILE HG12 1.0 1.8 5.5 393 304 A 25 ILE HA A 25 ILE HG13 1.0 1.8 5.5 394 305 A 25 ILE H A 25 ILE HG12 1.0 2.8 6.0 395 305 A 25 ILE H A 25 ILE HG13 1.0 2.8 6.0 396 306 A 3 TYR HD% A 26 ALA HA 1.0 2.8 6.0 397 307 A 18 LYS HBy A 26 ALA HA 1.0 1.8 5.5 398 308 A 26 ALA HA A 18 LYS HG2 1.0 2.8 6.0 399 308 A 18 LYS HG3 A 26 ALA HA 1.0 2.8 6.0 400 309 A 26 ALA HB% A 26 ALA HA 1.0 1.8 4.0 401 310 A 26 ALA H A 26 ALA HA 1.0 1.8 5.5 402 311 A 27 GLU H A 26 ALA HA 1.0 2.8 6.0 403 312 A 26 ALA HA A 29 TYR HBx 1.0 2.8 6.0 404 313 A 26 ALA HA A 29 TYR HBy 1.0 1.8 5.5 405 314 A 30 PHE HDx A 26 ALA HA 1.0 1.8 5.5 406 315 A 26 ALA HB% A 20 ALA HB% 1.0 1.8 4.0 407 316 A 26 ALA HB% A 26 ALA HA 1.0 1.8 4.0 408 317 A 26 ALA HB% A 26 ALA H 1.0 1.8 4.0 409 318 A 26 ALA HB% A 27 GLU H 1.0 1.8 5.5 410 319 A 26 ALA HB% A 30 PHE HE% 1.0 1.8 4.0 411 320 A 27 GLU HA A 27 GLU HBx 1.0 1.8 5.5 412 321 A 27 GLU HA A 27 GLU HG2 1.0 1.8 4.0 413 321 A 27 GLU HA A 27 GLU HG3 1.0 1.8 4.0 414 322 A 27 GLU HA A 27 GLU H 1.0 1.8 4.0 415 323 A 27 GLU HA A 28 LYS H 1.0 1.8 5.5 416 324 A 27 GLU HA A 30 PHE HBx 1.0 2.8 6.0 417 325 A 27 GLU HA A 43 TRP HZ3 1.0 2.8 6.0 418 326 A 27 GLU HA A 52 PHE HE% 1.0 1.8 5.5 419 327 A 27 GLU HBx A 24 GLY HA2 1.0 1.8 5.5 420 327 A 24 GLY HA3 A 27 GLU HBx 1.0 1.8 5.5 421 328 A 27 GLU HA A 27 GLU HBx 1.0 1.8 5.5 422 329 A 27 GLU HBx A 27 GLU HG2 1.0 1.8 4.0 423 329 A 27 GLU HG3 A 27 GLU HBx 1.0 1.8 4.0 424 330 A 27 GLU H A 27 GLU HBx 1.0 2.8 6.0 425 331 A 27 GLU HBx A 28 LYS H 1.0 1.8 5.5 426 332 A 27 GLU HBx A 52 PHE HE% 1.0 2.8 6.0 427 333 A 27 GLU HA A 27 GLU HG2 1.0 1.8 4.0 428 333 A 27 GLU HA A 27 GLU HG3 1.0 1.8 4.0 429 334 A 27 GLU HBx A 27 GLU HG2 1.0 1.8 4.0 430 334 A 27 GLU HG3 A 27 GLU HBx 1.0 1.8 4.0 431 335 A 27 GLU H A 27 GLU HG2 1.0 1.8 5.5 432 335 A 27 GLU HG3 A 27 GLU H 1.0 1.8 5.5 433 336 A 27 GLU HG3 A 28 LYS HG2 1.0 1.8 4.0 434 336 A 28 LYS HG3 A 27 GLU HG2 1.0 1.8 4.0 435 336 A 27 GLU HG3 A 28 LYS HG3 1.0 1.8 4.0 436 336 A 27 GLU HG2 A 28 LYS HG2 1.0 1.8 4.0 437 337 A 28 LYS H A 27 GLU HG2 1.0 1.8 5.5 438 337 A 27 GLU HG3 A 28 LYS H 1.0 1.8 5.5 439 338 A 27 GLU HG2 A 31 LYS HG2 1.0 1.8 5.5 440 338 A 27 GLU HG3 A 31 LYS HG2 1.0 1.8 5.5 441 338 A 31 LYS HG3 A 27 GLU HG2 1.0 1.8 5.5 442 338 A 27 GLU HG3 A 31 LYS HG3 1.0 1.8 5.5 443 339 A 43 TRP HZ3 A 27 GLU HG2 1.0 2.8 6.0 444 339 A 27 GLU HG3 A 43 TRP HZ3 1.0 2.8 6.0 445 340 A 52 PHE HE% A 27 GLU HG2 1.0 1.8 5.5 446 340 A 27 GLU HG3 A 52 PHE HE% 1.0 1.8 5.5 447 341 A 28 LYS HA A 28 LYS HB2 1.0 1.8 4.0 448 341 A 28 LYS HA A 28 LYS HB3 1.0 1.8 4.0 449 342 A 28 LYS HA A 28 LYS HG2 1.0 1.8 5.5 450 342 A 28 LYS HG3 A 28 LYS HA 1.0 1.8 5.5 451 343 A 28 LYS H A 28 LYS HA 1.0 1.8 4.0 452 344 A 28 LYS HA A 29 TYR H 1.0 2.8 6.0 453 345 A 28 LYS HA A 31 LYS HBx 1.0 1.8 4.0 454 346 A 28 LYS HA A 28 LYS HB2 1.0 1.8 4.0 455 346 A 28 LYS HA A 28 LYS HB3 1.0 1.8 4.0 456 347 A 28 LYS HB3 A 28 LYS HG2 1.0 1.8 4.0 457 347 A 28 LYS HB2 A 28 LYS HG2 1.0 1.8 4.0 458 347 A 28 LYS HG3 A 28 LYS HB2 1.0 1.8 4.0 459 347 A 28 LYS HG3 A 28 LYS HB3 1.0 1.8 4.0 460 348 A 28 LYS H A 28 LYS HB2 1.0 1.8 4.0 461 348 A 28 LYS H A 28 LYS HB3 1.0 1.8 4.0 462 349 A 29 TYR H A 28 LYS HB2 1.0 2.8 6.0 463 349 A 28 LYS HB3 A 29 TYR H 1.0 2.8 6.0 464 350 A 29 TYR HBx A 29 TYR HA 1.0 1.8 4.0 465 351 A 29 TYR HBy A 29 TYR HA 1.0 1.8 5.5 466 352 A 29 TYR H A 29 TYR HA 1.0 1.8 4.0 467 353 A 30 PHE H A 29 TYR HA 1.0 2.8 6.0 468 354 A 29 TYR HA A 32 LEU HBy 1.0 1.8 5.5 469 355 A 29 TYR HA A 32 LEU HDx% 1.0 1.8 5.5 470 356 A 29 TYR HA A 32 LEU HG 1.0 1.8 5.5 471 357 A 29 TYR HA A 32 LEU H 1.0 1.8 5.5 472 358 A 26 ALA HA A 29 TYR HBy 1.0 2.8 6.0 473 359 A 29 TYR HBx A 29 TYR HA 1.0 1.8 4.0 474 360 A 29 TYR HBy A 29 TYR HA 1.0 1.8 5.5 475 361 A 29 TYR HBx A 29 TYR HBy 1.0 1.8 4.0 476 362 A 29 TYR HBx A 29 TYR HBy 1.0 1.8 4.0 477 363 A 29 TYR HBx A 29 TYR H 1.0 2.8 6.0 478 364 A 29 TYR HBy A 29 TYR H 1.0 1.8 4.0 479 365 A 30 PHE H A 29 TYR HBx 1.0 1.8 5.5 480 366 A 30 PHE H A 29 TYR HBy 1.0 1.8 5.5 481 367 A 30 PHE HBx A 30 PHE HA 1.0 1.8 5.5 482 368 A 30 PHE HA A 30 PHE HBy 1.0 1.8 5.5 483 369 A 30 PHE HDx A 30 PHE HA 1.0 1.8 4.0 484 370 A 30 PHE HE% A 30 PHE HA 1.0 1.8 5.5 485 371 A 30 PHE H A 30 PHE HA 1.0 1.8 5.5 486 372 A 5 LEU HDx% A 30 PHE HBx 1.0 2.8 6.0 487 373 A 5 LEU HDy% A 30 PHE HBx 1.0 1.8 5.5 488 374 A 5 LEU HG A 30 PHE HBx 1.0 2.8 6.0 489 375 A 30 PHE HBx A 30 PHE HA 1.0 2.8 6.0 490 376 A 30 PHE HA A 30 PHE HBy 1.0 1.8 5.5 491 377 A 30 PHE HBx A 30 PHE HBy 1.0 1.8 4.0 492 378 A 30 PHE HBx A 30 PHE HBy 1.0 1.8 5.5 493 379 A 30 PHE HDx A 30 PHE HBx 1.0 2.8 6.0 494 380 A 30 PHE HE% A 30 PHE HBx 1.0 2.8 6.0 495 381 A 30 PHE HE% A 30 PHE HBy 1.0 1.8 5.5 496 382 A 30 PHE H A 30 PHE HBx 1.0 2.8 6.0 497 383 A 30 PHE H A 30 PHE HBy 1.0 1.8 5.5 498 384 A 30 PHE HBx A 31 LYS HA 1.0 2.8 6.0 499 385 A 30 PHE HBx A 31 LYS H 1.0 2.8 6.0 500 386 A 30 PHE HBx A 43 TRP HZ3 1.0 1.8 5.5 501 387 A 31 LYS HBx A 31 LYS HA 1.0 1.8 4.0 502 388 A 31 LYS HA A 31 LYS HG2 1.0 1.8 5.5 503 388 A 31 LYS HG3 A 31 LYS HA 1.0 1.8 5.5 504 389 A 31 LYS HA A 31 LYS H 1.0 1.8 5.5 505 390 A 31 LYS HA A 43 TRP HZ2 1.0 1.8 4.0 506 391 A 43 TRP HZ3 A 31 LYS HA 1.0 1.8 5.5 507 392 A 28 LYS HA A 31 LYS HBx 1.0 1.8 4.0 508 393 A 31 LYS HBx A 31 LYS HA 1.0 1.8 5.5 509 394 A 31 LYS HA A 31 LYS HBy 1.0 1.8 5.5 510 395 A 31 LYS HBx A 31 LYS HG2 1.0 2.8 6.0 511 395 A 31 LYS HG3 A 31 LYS HBx 1.0 2.8 6.0 512 396 A 31 LYS HBy A 31 LYS HG2 1.0 1.8 5.5 513 396 A 31 LYS HG3 A 31 LYS HBy 1.0 1.8 5.5 514 397 A 31 LYS HBx A 31 LYS H 1.0 1.8 5.5 515 398 A 31 LYS H A 31 LYS HBy 1.0 1.8 5.5 516 399 A 31 LYS HBx A 32 LEU H 1.0 1.8 5.5 517 400 A 43 TRP HZ2 A 31 LYS HBy 1.0 2.8 6.0 518 401 A 32 LEU HA A 32 LEU HBx 1.0 1.8 4.0 519 402 A 32 LEU HBy A 32 LEU HA 1.0 1.8 5.5 520 403 A 32 LEU HDx% A 32 LEU HA 1.0 1.8 3.0 521 404 A 32 LEU HG A 32 LEU HA 1.0 1.8 5.5 522 405 A 32 LEU H A 32 LEU HA 1.0 1.8 4.0 523 406 A 32 LEU HA A 35 ASN HB2 1.0 1.8 4.0 524 406 A 32 LEU HA A 35 ASN HB3 1.0 1.8 4.0 525 407 A 32 LEU HA A 32 LEU HBx 1.0 1.8 4.0 526 408 A 32 LEU HBy A 32 LEU HA 1.0 1.8 4.0 527 409 A 32 LEU HBy A 32 LEU HBx 1.0 1.8 4.0 528 410 A 32 LEU HBy A 32 LEU HBx 1.0 1.8 5.5 529 411 A 32 LEU HDx% A 32 LEU HBx 1.0 1.8 4.0 530 412 A 32 LEU HBy A 32 LEU HDx% 1.0 1.8 4.0 531 413 A 32 LEU HG A 32 LEU HBx 1.0 1.8 5.5 532 414 A 32 LEU HBy A 32 LEU HG 1.0 1.8 5.5 533 415 A 32 LEU H A 32 LEU HBx 1.0 1.8 5.5 534 416 A 32 LEU HBy A 32 LEU H 1.0 1.8 5.5 535 417 A 32 LEU HBx A 33 ILE H 1.0 2.8 6.0 536 418 A 32 LEU HBy A 33 ILE H 1.0 2.8 6.0 537 419 A 32 LEU HDx% A 32 LEU HA 1.0 1.8 4.0 538 420 A 32 LEU HBy A 32 LEU HDx% 1.0 2.8 6.0 539 421 A 33 ILE HA A 33 ILE HB 1.0 1.8 5.5 540 422 A 33 ILE HA A 33 ILE HD1% 1.0 1.8 4.0 541 423 A 33 ILE H A 33 ILE HA 1.0 1.8 5.5 542 424 A 33 ILE HA A 34 ALA H 1.0 2.8 6.0 543 425 A 33 ILE HA A 36 ALA HB% 1.0 1.8 5.5 544 426 A 33 ILE HA A 37 LYS HG2 1.0 1.8 5.5 545 426 A 33 ILE HA A 37 LYS HG3 1.0 1.8 5.5 546 427 A 30 PHE HA A 33 ILE HB 1.0 2.8 6.0 547 428 A 33 ILE HA A 33 ILE HB 1.0 1.8 5.5 548 429 A 33 ILE HB A 33 ILE HD1% 1.0 1.8 4.0 549 430 A 33 ILE H A 33 ILE HB 1.0 1.8 5.5 550 431 A 33 ILE HB A 34 ALA H 1.0 1.8 5.5 551 432 A 33 ILE HB A 33 ILE HD1% 1.0 1.8 4.0 552 433 A 33 ILE HD1% A 37 LYS HA 1.0 1.8 4.0 553 434 A 5 LEU HDy% A 34 ALA HA 1.0 2.8 6.0 554 435 A 34 ALA HA A 34 ALA HB% 1.0 1.8 4.0 555 436 A 34 ALA H A 34 ALA HA 1.0 1.8 4.0 556 437 A 34 ALA HA A 37 LYS HB2 1.0 2.8 6.0 557 437 A 34 ALA HA A 37 LYS HB3 1.0 2.8 6.0 558 438 A 34 ALA HA A 37 LYS HG2 1.0 1.8 5.5 559 438 A 37 LYS HG3 A 34 ALA HA 1.0 1.8 5.5 560 439 A 34 ALA HA A 37 LYS H 1.0 2.8 6.0 561 440 A 5 LEU HDy% A 34 ALA HB% 1.0 2.8 6.0 562 441 A 31 LYS HA A 34 ALA HB% 1.0 1.8 5.5 563 442 A 34 ALA HA A 34 ALA HB% 1.0 1.8 4.0 564 443 A 34 ALA H A 34 ALA HB% 1.0 1.8 4.0 565 444 A 43 TRP HZ2 A 34 ALA HB% 1.0 1.8 4.0 566 445 A 43 TRP HZ3 A 34 ALA HB% 1.0 1.8 5.5 567 446 A 35 ASN HA A 35 ASN HB2 1.0 1.8 5.5 568 446 A 35 ASN HB3 A 35 ASN HA 1.0 1.8 5.5 569 447 A 32 LEU HA A 35 ASN HB2 1.0 1.8 5.5 570 447 A 32 LEU HA A 35 ASN HB3 1.0 1.8 5.5 571 448 A 35 ASN HA A 35 ASN HB2 1.0 1.8 5.5 572 448 A 35 ASN HB3 A 35 ASN HA 1.0 1.8 5.5 573 449 A 35 ASN HD2x A 35 ASN HB2 1.0 1.8 4.0 574 449 A 35 ASN HB3 A 35 ASN HD2x 1.0 1.8 4.0 575 450 A 36 ALA HB% A 36 ALA HA 1.0 1.8 4.0 576 451 A 36 ALA HA A 36 ALA H 1.0 1.8 4.0 577 452 A 36 ALA HB% A 36 ALA HA 1.0 1.8 3.0 578 453 A 36 ALA HB% A 36 ALA H 1.0 1.8 4.0 579 454 A 37 LYS HA A 37 LYS HB2 1.0 1.8 4.0 580 454 A 37 LYS HA A 37 LYS HB3 1.0 1.8 4.0 581 455 A 37 LYS HA A 37 LYS HG2 1.0 1.8 3.0 582 455 A 37 LYS HG3 A 37 LYS HA 1.0 1.8 3.0 583 456 A 37 LYS HB2 A 37 LYS HG2 1.0 1.8 4.0 584 456 A 37 LYS HB3 A 37 LYS HG2 1.0 1.8 4.0 585 456 A 37 LYS HG3 A 37 LYS HB2 1.0 1.8 4.0 586 456 A 37 LYS HG3 A 37 LYS HB3 1.0 1.8 4.0 587 457 A 37 LYS H A 37 LYS HB2 1.0 2.8 6.0 588 457 A 37 LYS HB3 A 37 LYS H 1.0 2.8 6.0 589 458 A 9 LEU HBx A 38 THR HA 1.0 2.8 6.0 590 459 A 9 LEU HDx% A 38 THR HA 1.0 2.8 6.0 591 460 A 38 THR HA A 38 THR HB 1.0 1.8 5.5 592 461 A 38 THR HA A 38 THR H 1.0 1.8 5.5 593 462 A 38 THR HA A 38 THR HG2% 1.0 1.8 4.0 594 463 A 39 VAL HA A 39 VAL HB 1.0 1.8 5.5 595 464 A 39 VAL HA A 39 VAL H 1.0 2.8 6.0 596 465 A 39 VAL HA A 40 GLU H 1.0 2.8 6.0 597 466 A 39 VAL HA A 39 VAL HB 1.0 1.8 5.5 598 467 A 39 VAL HB A 39 VAL H 1.0 2.8 6.0 599 468 A 39 VAL HB A 40 GLU H 1.0 2.8 6.0 600 469 A 40 GLU H A 40 GLU HA 1.0 1.8 4.0 601 470 A 40 GLU HA A 40 GLU HBx 1.0 1.8 5.5 602 471 A 40 GLU HBx A 40 GLU HBy 1.0 1.8 4.0 603 472 A 40 GLU HBx A 40 GLU HBy 1.0 1.8 4.0 604 473 A 40 GLU H A 40 GLU HBx 1.0 2.8 6.0 605 474 A 40 GLU H A 40 GLU HBy 1.0 2.8 6.0 606 475 A 40 GLU HBy A 41 GLY H 1.0 1.8 5.5 607 476 A 40 GLU HBx A 41 GLY HAx 1.0 2.8 6.0 608 477 A 41 GLY HAx A 41 GLY HAy 1.0 1.8 3.0 609 478 A 41 GLY HAx A 41 GLY HAy 1.0 1.8 4.0 610 479 A 41 GLY H A 41 GLY HAx 1.0 2.8 6.0 611 480 A 41 GLY H A 41 GLY HAy 1.0 2.8 6.0 612 481 A 41 GLY HAy A 42 VAL HGx% 1.0 2.8 6.0 613 482 A 41 GLY HAx A 42 VAL H 1.0 1.8 5.5 614 483 A 41 GLY HAy A 42 VAL H 1.0 1.8 4.0 615 484 A 54 VAL HGx% A 41 GLY HAx 1.0 2.8 6.0 616 485 A 54 VAL HGx% A 41 GLY HAy 1.0 2.8 6.0 617 486 A 41 GLY HAy A 54 VAL HGy% 1.0 2.8 6.0 618 487 A 41 GLY HAx A 56 GLU HBy 1.0 2.8 6.0 619 488 A 41 GLY HAy A 56 GLU HBy 1.0 2.8 6.0 620 489 A 42 VAL HA A 42 VAL HB 1.0 1.8 5.5 621 490 A 42 VAL HGx% A 42 VAL HA 1.0 1.8 3.0 622 491 A 42 VAL H A 42 VAL HA 1.0 1.8 5.5 623 492 A 42 VAL HA A 43 TRP HBy 1.0 2.8 6.0 624 493 A 42 VAL HA A 43 TRP HD1 1.0 1.8 5.5 625 494 A 42 VAL HA A 43 TRP H 1.0 1.8 3.0 626 495 A 42 VAL HA A 42 VAL HB 1.0 1.8 4.0 627 496 A 42 VAL HGx% A 42 VAL HB 1.0 1.8 3.0 628 497 A 42 VAL H A 42 VAL HB 1.0 1.8 4.0 629 498 A 42 VAL HGx% A 42 VAL HB 1.0 1.8 4.0 630 499 A 43 TRP HA A 43 TRP HBx 1.0 1.8 5.5 631 500 A 43 TRP HBy A 43 TRP HA 1.0 2.8 6.0 632 501 A 43 TRP H A 43 TRP HA 1.0 1.8 5.5 633 502 A 43 TRP HA A 43 TRP HBx 1.0 1.8 5.5 634 503 A 43 TRP HBy A 43 TRP HA 1.0 2.8 6.0 635 504 A 43 TRP HBy A 43 TRP HBx 1.0 1.8 4.0 636 505 A 43 TRP HBy A 43 TRP HBx 1.0 1.8 4.0 637 506 A 43 TRP HD1 A 43 TRP HBx 1.0 2.8 6.0 638 507 A 43 TRP HBy A 43 TRP HD1 1.0 2.8 6.0 639 508 A 43 TRP HBx A 43 TRP HE3 1.0 2.8 6.0 640 509 A 43 TRP HBy A 43 TRP HE3 1.0 2.8 6.0 641 510 A 43 TRP H A 43 TRP HBx 1.0 1.8 5.5 642 511 A 43 TRP HBy A 43 TRP H 1.0 1.8 4.0 643 512 A 43 TRP HBy A 54 VAL HB 1.0 2.8 6.0 644 513 A 44 THR HA A 45 TYR H 1.0 1.8 5.5 645 514 A 44 THR HA A 44 THR HB 1.0 1.8 4.0 646 515 A 44 THR HB A 44 THR HG2% 1.0 1.8 3.0 647 516 A 45 TYR H A 44 THR HB 1.0 1.8 4.0 648 517 A 44 THR HA A 44 THR HG2% 1.0 1.8 4.0 649 518 A 44 THR HB A 44 THR HG2% 1.0 1.8 4.0 650 519 A 44 THR HA A 45 TYR HBx 1.0 2.8 6.0 651 520 A 45 TYR HBx A 45 TYR HA 1.0 1.8 5.5 652 521 A 45 TYR HA A 45 TYR HBy 1.0 1.8 4.0 653 522 A 45 TYR HBx A 45 TYR HBy 1.0 1.8 4.0 654 523 A 45 TYR HBx A 45 TYR HBy 1.0 1.8 4.0 655 524 A 45 TYR H A 45 TYR HBx 1.0 2.8 6.0 656 525 A 45 TYR H A 45 TYR HBy 1.0 1.8 5.5 657 526 A 45 TYR HBy A 46 LYS H 1.0 2.8 6.0 658 527 A 45 TYR HBy A 51 THR HA 1.0 2.8 6.0 659 528 A 45 TYR HBy A 52 PHE HA 1.0 2.8 6.0 660 529 A 52 PHE HD% A 45 TYR HBx 1.0 2.8 6.0 661 530 A 52 PHE HD% A 45 TYR HBy 1.0 2.8 6.0 662 531 A 46 LYS HA A 46 LYS HBx 1.0 1.8 5.5 663 532 A 46 LYS HA A 46 LYS HBy 1.0 1.8 4.0 664 533 A 46 LYS HA A 46 LYS HEx 1.0 1.8 5.5 665 534 A 46 LYS H A 46 LYS HA 1.0 1.8 5.5 666 535 A 46 LYS HA A 47 ASP HBy 1.0 2.8 6.0 667 536 A 46 LYS HA A 47 ASP H 1.0 1.8 3.0 668 537 A 46 LYS HA A 46 LYS HBx 1.0 1.8 4.0 669 538 A 46 LYS HA A 46 LYS HBy 1.0 1.8 5.5 670 539 A 46 LYS HBx A 46 LYS HBy 1.0 1.8 4.0 671 540 A 46 LYS HBx A 46 LYS HBy 1.0 1.8 3.0 672 541 A 46 LYS HBx A 46 LYS HEx 1.0 2.8 6.0 673 542 A 46 LYS HBy A 46 LYS HEx 1.0 2.8 6.0 674 543 A 46 LYS H A 46 LYS HBx 1.0 1.8 5.5 675 544 A 46 LYS H A 46 LYS HBy 1.0 1.8 5.5 676 545 A 46 LYS HBx A 47 ASP H 1.0 2.8 6.0 677 546 A 46 LYS HBy A 47 ASP H 1.0 2.8 6.0 678 547 A 47 ASP HA A 45 TYR HE% 1.0 2.8 6.0 679 548 A 47 ASP HA A 47 ASP HBx 1.0 1.8 5.5 680 549 A 47 ASP HBy A 47 ASP HA 1.0 1.8 5.5 681 550 A 47 ASP H A 47 ASP HA 1.0 1.8 5.5 682 551 A 45 TYR HE% A 47 ASP HBx 1.0 2.8 6.0 683 552 A 47 ASP HBy A 45 TYR HE% 1.0 2.8 6.0 684 553 A 47 ASP HA A 47 ASP HBx 1.0 2.8 6.0 685 554 A 47 ASP HBy A 47 ASP HA 1.0 1.8 5.5 686 555 A 47 ASP HBy A 47 ASP HBx 1.0 1.8 4.0 687 556 A 47 ASP H A 47 ASP HBx 1.0 1.8 5.5 688 557 A 47 ASP HBy A 47 ASP H 1.0 2.8 6.0 689 558 A 48 GLU HA A 48 GLU HB2 1.0 1.8 5.5 690 558 A 48 GLU HA A 48 GLU HB3 1.0 1.8 5.5 691 559 A 48 GLU HA A 48 GLU HG2 1.0 1.8 5.5 692 559 A 48 GLU HA A 48 GLU HG3 1.0 1.8 5.5 693 560 A 48 GLU HA A 48 GLU HB2 1.0 1.8 4.0 694 560 A 48 GLU HA A 48 GLU HB3 1.0 1.8 4.0 695 561 A 49 ILE H A 48 GLU HB2 1.0 1.8 5.5 696 561 A 48 GLU HB3 A 49 ILE H 1.0 1.8 5.5 697 562 A 48 GLU HA A 48 GLU HG2 1.0 1.8 5.5 698 562 A 48 GLU HA A 48 GLU HG3 1.0 1.8 5.5 699 563 A 48 GLU HB2 A 48 GLU HG2 1.0 1.8 3.0 700 563 A 48 GLU HB3 A 48 GLU HG2 1.0 1.8 3.0 701 563 A 48 GLU HG3 A 48 GLU HB2 1.0 1.8 3.0 702 563 A 48 GLU HB3 A 48 GLU HG3 1.0 1.8 3.0 703 564 A 49 ILE HA A 49 ILE HB 1.0 1.8 4.0 704 565 A 49 ILE HA A 49 ILE HD1% 1.0 1.8 5.5 705 566 A 49 ILE HA A 49 ILE HG2% 1.0 1.8 3.0 706 567 A 49 ILE H A 49 ILE HA 1.0 1.8 5.5 707 568 A 49 ILE HA A 50 LYS H 1.0 2.8 6.0 708 569 A 49 ILE HA A 49 ILE HB 1.0 1.8 4.0 709 570 A 49 ILE HB A 49 ILE HD1% 1.0 1.8 5.5 710 571 A 49 ILE HB A 49 ILE HG2% 1.0 1.8 3.0 711 572 A 49 ILE H A 49 ILE HB 1.0 2.8 6.0 712 573 A 49 ILE HA A 49 ILE HD1% 1.0 1.8 5.5 713 574 A 49 ILE HB A 49 ILE HD1% 1.0 1.8 4.0 714 575 A 49 ILE HD1% A 49 ILE HG2% 1.0 1.8 3.0 715 576 A 49 ILE H A 49 ILE HD1% 1.0 1.8 4.0 716 577 A 49 ILE HA A 49 ILE HG2% 1.0 1.8 3.0 717 578 A 49 ILE HB A 49 ILE HG2% 1.0 1.8 3.0 718 579 A 49 ILE HD1% A 49 ILE HG2% 1.0 1.8 3.0 719 580 A 49 ILE H A 49 ILE HG2% 1.0 1.8 4.0 720 581 A 3 TYR HD% A 50 LYS HA 1.0 1.8 5.5 721 582 A 45 TYR HE% A 50 LYS HA 1.0 1.8 5.5 722 583 A 50 LYS HA A 50 LYS HB2 1.0 1.8 4.0 723 583 A 50 LYS HA A 50 LYS HB3 1.0 1.8 4.0 724 584 A 50 LYS HA A 50 LYS HEx 1.0 1.8 5.5 725 584 A 50 LYS HA A 50 LYS HEy 1.0 1.8 5.5 726 585 A 50 LYS H A 50 LYS HA 1.0 1.8 4.0 727 586 A 50 LYS HA A 50 LYS HB2 1.0 1.8 5.5 728 586 A 50 LYS HA A 50 LYS HB3 1.0 1.8 5.5 729 587 A 50 LYS HB2 A 50 LYS HEx 1.0 1.8 5.5 730 587 A 50 LYS HB3 A 50 LYS HEx 1.0 1.8 5.5 731 587 A 50 LYS HEy A 50 LYS HB2 1.0 1.8 5.5 732 587 A 50 LYS HB3 A 50 LYS HEy 1.0 1.8 5.5 733 588 A 3 TYR HA A 51 THR HA 1.0 2.8 6.0 734 589 A 4 LYS HBy A 51 THR HA 1.0 1.8 5.5 735 590 A 4 LYS H A 51 THR HA 1.0 1.8 5.5 736 591 A 51 THR HA A 50 LYS H 1.0 2.8 6.0 737 592 A 51 THR HA A 51 THR HB 1.0 2.8 6.0 738 593 A 51 THR HA A 51 THR HG2% 1.0 1.8 4.0 739 594 A 51 THR HA A 51 THR H 1.0 1.8 5.5 740 595 A 52 PHE HBy A 51 THR HA 1.0 2.8 6.0 741 596 A 51 THR HA A 51 THR HB 1.0 2.8 6.0 742 597 A 51 THR HB A 51 THR HG2% 1.0 1.8 4.0 743 598 A 51 THR HB A 51 THR H 1.0 1.8 5.5 744 599 A 51 THR HB A 51 THR HG2% 1.0 1.8 5.5 745 600 A 45 TYR HA A 52 PHE HA 1.0 1.8 5.5 746 601 A 52 PHE HA A 45 TYR HE% 1.0 2.8 6.0 747 602 A 46 LYS H A 52 PHE HA 1.0 2.8 6.0 748 603 A 52 PHE HBy A 52 PHE HA 1.0 1.8 5.5 749 604 A 52 PHE HD% A 52 PHE HA 1.0 1.8 5.5 750 605 A 52 PHE HA A 53 THR H 1.0 1.8 4.0 751 606 A 5 LEU HDx% A 52 PHE HBx 1.0 1.8 5.5 752 607 A 52 PHE HBy A 5 LEU HDx% 1.0 2.8 6.0 753 608 A 43 TRP HZ3 A 52 PHE HBx 1.0 2.8 6.0 754 609 A 52 PHE HBy A 43 TRP HZ3 1.0 2.8 6.0 755 610 A 45 TYR HA A 52 PHE HBx 1.0 2.8 6.0 756 611 A 52 PHE HBy A 45 TYR HA 1.0 2.8 6.0 757 612 A 52 PHE HA A 52 PHE HBx 1.0 2.8 6.0 758 613 A 52 PHE HBy A 52 PHE HA 1.0 2.8 6.0 759 614 A 52 PHE HD% A 52 PHE HBx 1.0 1.8 5.5 760 615 A 52 PHE HD% A 52 PHE HBy 1.0 1.8 5.5 761 616 A 53 THR H A 52 PHE HBx 1.0 1.8 5.5 762 617 A 52 PHE HBy A 53 THR H 1.0 2.8 6.0 763 618 A 6 ILE HB A 53 THR HA 1.0 2.8 6.0 764 619 A 53 THR HA A 53 THR HB 1.0 1.8 5.5 765 620 A 53 THR HA A 53 THR HG2% 1.0 1.8 5.5 766 621 A 53 THR HA A 53 THR H 1.0 2.8 6.0 767 622 A 53 THR HA A 54 VAL H 1.0 1.8 4.0 768 623 A 44 THR HA A 53 THR HB 1.0 2.8 6.0 769 624 A 53 THR HA A 53 THR HB 1.0 2.8 6.0 770 625 A 53 THR HB A 53 THR HG2% 1.0 1.8 4.0 771 626 A 53 THR H A 53 THR HB 1.0 1.8 5.5 772 627 A 54 VAL H A 53 THR HB 1.0 2.8 6.0 773 628 A 42 VAL H A 54 VAL HA 1.0 2.8 6.0 774 629 A 43 TRP HA A 54 VAL HA 1.0 1.8 4.0 775 630 A 43 TRP HBx A 54 VAL HA 1.0 2.8 6.0 776 631 A 43 TRP HD1 A 54 VAL HA 1.0 2.8 6.0 777 632 A 43 TRP H A 54 VAL HA 1.0 2.8 6.0 778 633 A 54 VAL HB A 54 VAL HA 1.0 1.8 5.5 779 634 A 54 VAL HGx% A 54 VAL HA 1.0 2.8 6.0 780 635 A 54 VAL HGy% A 54 VAL HA 1.0 1.8 5.5 781 636 A 54 VAL H A 54 VAL HA 1.0 1.8 5.5 782 637 A 5 LEU HDy% A 54 VAL HB 1.0 1.8 5.5 783 638 A 54 VAL HB A 43 TRP HE1 1.0 2.8 6.0 784 639 A 54 VAL HB A 54 VAL HA 1.0 2.8 6.0 785 640 A 54 VAL HGx% A 54 VAL HB 1.0 2.8 6.0 786 641 A 54 VAL HGy% A 54 VAL HB 1.0 2.8 6.0 787 642 A 54 VAL H A 54 VAL HB 1.0 2.8 6.0 788 643 A 54 VAL HGx% A 41 GLY HAx 1.0 2.8 6.0 789 644 A 54 VAL HGx% A 41 GLY HAy 1.0 1.8 5.5 790 645 A 54 VAL HGx% A 43 TRP HD1 1.0 2.8 6.0 791 646 A 53 THR HA A 54 VAL HGx% 1.0 3.3 6.5 792 647 A 54 VAL HGx% A 54 VAL HA 1.0 1.8 4.0 793 648 A 54 VAL HGx% A 54 VAL HB 1.0 1.8 4.0 794 649 A 54 VAL HGx% A 54 VAL HGy% 1.0 1.8 4.0 795 650 A 54 VAL HGx% A 54 VAL H 1.0 1.8 5.5 796 651 A 41 GLY HAx A 54 VAL HGy% 1.0 2.8 6.0 797 652 A 41 GLY HAy A 54 VAL HGy% 1.0 2.8 6.0 798 653 A 54 VAL HGy% A 43 TRP HD1 1.0 2.8 6.0 799 654 A 53 THR HA A 54 VAL HGy% 1.0 2.8 6.0 800 655 A 54 VAL HGy% A 54 VAL HA 1.0 1.8 5.5 801 656 A 54 VAL HGy% A 54 VAL HB 1.0 1.8 4.0 802 657 A 54 VAL HGx% A 54 VAL HGy% 1.0 2.8 6.0 803 658 A 54 VAL H A 54 VAL HGy% 1.0 1.8 5.5 804 659 A 42 VAL HB A 55 THR HB 1.0 1.8 5.5 805 660 A 42 VAL HGx% A 55 THR HB 1.0 2.8 6.0 806 661 A 55 THR HA A 55 THR HB 1.0 1.8 5.5 807 662 A 55 THR HG2% A 55 THR HB 1.0 1.8 4.0 808 663 A 55 THR HB A 55 THR H 1.0 1.8 5.5 809 664 A 55 THR HB A 56 GLU H 1.0 1.8 5.5 810 665 A 55 THR HA A 55 THR HG2% 1.0 1.8 5.5 811 666 A 55 THR HG2% A 55 THR HB 1.0 1.8 4.0 812 667 A 41 GLY HAy A 56 GLU HA 1.0 1.8 5.5 813 668 A 42 VAL H A 56 GLU HA 1.0 1.8 5.5 814 669 A 56 GLU HA A 56 GLU HBx 1.0 1.8 4.0 815 670 A 56 GLU H A 56 GLU HA 1.0 1.8 5.5 816 671 A 9 LEU HA A 56 GLU HBx 1.0 1.8 5.5 817 672 A 9 LEU HA A 56 GLU HBy 1.0 1.8 5.5 818 673 A 56 GLU HA A 56 GLU HBx 1.0 1.8 5.5 819 674 A 56 GLU HBy A 56 GLU HA 1.0 1.8 5.5 820 675 A 56 GLU H A 56 GLU HBx 1.0 2.8 6.0 821 676 A 56 GLU HBy A 56 GLU H 1.0 2.8 6.0 822 677 A 18 LYS HBx A 29 TYR HE% 1.0 1.8 5.5 823 678 A 29 TYR HE% A 18 LYS HG2 1.0 2.8 6.0 824 678 A 18 LYS HG3 A 29 TYR HE% 1.0 2.8 6.0 825 679 A 29 TYR HBx A 29 TYR HE% 1.0 1.8 5.5 826 680 A 26 ALA HB% A 30 PHE HDx 1.0 1.8 5.5 827 681 A 30 PHE HDx A 29 TYR HBy 1.0 1.8 4.0 828 682 A 30 PHE HDx A 30 PHE HBx 1.0 1.8 5.7 829 683 A 30 PHE HDx A 30 PHE HBy 1.0 1.8 4.0 830 684 A 43 TRP HD1 A 43 TRP HBx 1.0 1.8 5.5 831 685 A 43 TRP HBy A 43 TRP HD1 1.0 1.8 5.5 832 686 A 43 TRP HD1 A 43 TRP HE1 1.0 1.8 4.0 833 687 A 43 TRP HD1 A 43 TRP H 1.0 1.8 4.0 834 688 A 43 TRP HA A 43 TRP HE3 1.0 2.8 6.0 835 689 A 43 TRP HBx A 43 TRP HE3 1.0 1.8 5.5 836 690 A 43 TRP HBy A 43 TRP HE3 1.0 1.8 5.5 837 691 A 43 TRP HZ2 A 43 TRP HE3 1.0 2.8 6.0 838 692 A 43 TRP HZ3 A 43 TRP HE3 1.0 1.8 5.5 839 693 A 31 LYS HA A 43 TRP HZ2 1.0 1.8 4.0 840 694 A 43 TRP HZ2 A 31 LYS HBy 1.0 1.8 4.0 841 695 A 43 TRP HZ2 A 43 TRP HE1 1.0 1.8 5.5 842 696 A 43 TRP HZ3 A 43 TRP HZ2 1.0 1.8 4.0 843 697 A 52 PHE HD% A 30 PHE HDy 1.0 2.8 6.0 844 698 A 52 PHE HD% A 30 PHE HDx 1.0 2.8 6.0 845 699 A 52 PHE HD% A 45 TYR HA 1.0 2.8 6.0 846 700 A 52 PHE HD% A 52 PHE HA 1.0 1.8 5.5 847 701 A 52 PHE HD% A 52 PHE HBx 1.0 1.8 4.0 848 702 A 52 PHE HD% A 52 PHE HE% 1.0 1.8 4.0 849 703 A 33 ILE H A 29 TYR HE% 1.0 2.8 6.0 850 704 A 32 LEU HA A 29 TYR HE% 1.0 2.8 6.0 851 705 A 1 THR HG2% A 2 THR H 1.0 1.8 4.0 852 706 A 2 THR H A 2 THR HA 1.0 1.8 5.5 853 707 A 2 THR H A 2 THR HB 1.0 1.8 3.0 854 708 A 2 THR H A 2 THR HG2% 1.0 1.8 4.0 855 709 A 2 THR HA A 3 TYR H 1.0 1.8 3.0 856 710 A 2 THR HG2% A 3 TYR H 1.0 1.8 4.0 857 711 A 3 TYR HA A 3 TYR H 1.0 1.8 4.0 858 712 A 3 TYR HBx A 3 TYR H 1.0 1.8 4.0 859 713 A 3 TYR HBy A 3 TYR H 1.0 1.8 4.0 860 714 A 3 TYR HD% A 3 TYR H 1.0 1.8 4.0 861 715 A 3 TYR H A 17 ILE HB 1.0 1.8 5.5 862 716 A 3 TYR H A 19 GLU HA 1.0 1.8 4.0 863 717 A 3 TYR HBx A 3 TYR H 1.0 1.8 4.0 864 718 A 3 TYR HBy A 4 LYS H 1.0 1.8 4.0 865 719 A 4 LYS HA A 4 LYS H 1.0 1.8 3.0 866 720 A 4 LYS HBy A 4 LYS H 1.0 1.8 3.0 867 721 A 4 LYS H A 4 LYS HG2 1.0 1.8 5.5 868 721 A 4 LYS HG3 A 4 LYS H 1.0 1.8 5.5 869 722 A 4 LYS H A 30 PHE HE% 1.0 1.8 4.0 870 723 A 4 LYS H A 51 THR HA 1.0 1.8 4.0 871 724 A 52 PHE HD% A 4 LYS H 1.0 2.8 6.0 872 725 A 4 LYS H A 52 PHE H 1.0 1.8 5.5 873 726 A 4 LYS HA A 5 LEU H 1.0 1.8 3.0 874 727 A 4 LYS HBx A 5 LEU H 1.0 1.8 4.0 875 728 A 5 LEU H A 4 LYS HG2 1.0 1.8 4.0 876 728 A 4 LYS HG3 A 5 LEU H 1.0 1.8 4.0 877 729 A 5 LEU HBx A 5 LEU H 1.0 1.8 4.0 878 730 A 5 LEU H A 5 LEU HBy 1.0 1.8 4.0 879 731 A 30 PHE HE% A 5 LEU H 1.0 1.8 5.5 880 732 A 5 LEU HBx A 6 ILE H 1.0 1.8 4.0 881 733 A 6 ILE HA A 6 ILE H 1.0 1.8 4.0 882 734 A 6 ILE HB A 6 ILE H 1.0 1.8 4.0 883 735 A 6 ILE H A 7 LEU H 1.0 1.8 5.5 884 736 A 6 ILE H A 53 THR HA 1.0 1.8 4.0 885 737 A 7 LEU H A 7 LEU HA 1.0 1.8 3.0 886 738 A 7 LEU H A 7 LEU HBx 1.0 1.8 4.0 887 739 A 7 LEU H A 7 LEU HBy 1.0 1.8 4.0 888 740 A 7 LEU H A 7 LEU HDx% 1.0 1.8 3.0 889 741 A 7 LEU H A 14 GLU H 1.0 1.8 5.5 890 742 A 15 GLU HA A 7 LEU H 1.0 1.8 4.0 891 743 A 7 LEU HA A 8 ASN H 1.0 1.8 3.0 892 744 A 7 LEU HBy A 8 ASN H 1.0 1.8 4.0 893 745 A 8 ASN HA A 8 ASN H 1.0 1.8 4.0 894 746 A 8 ASN HBx A 8 ASN H 1.0 1.8 4.0 895 747 A 8 ASN HBy A 8 ASN H 1.0 1.8 4.0 896 748 A 8 ASN H A 9 LEU H 1.0 1.8 5.5 897 749 A 8 ASN H A 54 VAL HB 1.0 1.8 4.0 898 750 A 54 VAL H A 8 ASN H 1.0 1.8 4.0 899 751 A 8 ASN HA A 9 LEU H 1.0 1.8 3.0 900 752 A 8 ASN H A 9 LEU H 1.0 1.8 5.5 901 753 A 9 LEU HA A 9 LEU H 1.0 1.8 4.0 902 754 A 9 LEU HBx A 9 LEU H 1.0 1.8 4.0 903 755 A 9 LEU HBy A 9 LEU H 1.0 1.8 4.0 904 756 A 9 LEU H A 9 LEU HDx% 1.0 1.8 4.0 905 757 A 9 LEU H A 9 LEU HG 1.0 1.8 4.0 906 758 A 14 GLU H A 9 LEU H 1.0 1.8 5.5 907 759 A 9 LEU HA A 10 LYS H 1.0 1.8 4.0 908 760 A 10 LYS H A 10 LYS HA 1.0 1.8 4.0 909 761 A 10 LYS H A 10 LYS HB2 1.0 1.8 3.0 910 761 A 10 LYS H A 10 LYS HB3 1.0 1.8 3.0 911 762 A 10 LYS H A 10 LYS HG2 1.0 1.8 4.0 912 762 A 10 LYS H A 10 LYS HG3 1.0 1.8 4.0 913 763 A 10 LYS H A 11 GLN H 1.0 1.8 4.0 914 764 A 10 LYS HA A 11 GLN H 1.0 1.8 4.0 915 765 A 10 LYS H A 11 GLN H 1.0 1.8 4.0 916 766 A 11 GLN H A 11 GLN HA 1.0 1.8 4.0 917 767 A 11 GLN H A 11 GLN HBx 1.0 1.8 4.0 918 768 A 11 GLN H A 11 GLN HBy 1.0 1.8 3.0 919 769 A 11 GLN H A 12 ALA H 1.0 1.8 4.0 920 770 A 11 GLN HBy A 12 ALA H 1.0 1.8 4.0 921 771 A 11 GLN H A 12 ALA H 1.0 1.8 3.0 922 772 A 12 ALA H A 12 ALA HA 1.0 1.8 4.0 923 773 A 12 ALA H A 12 ALA HB% 1.0 1.8 4.0 924 774 A 12 ALA HA A 13 LYS H 1.0 1.8 3.0 925 775 A 12 ALA H A 13 LYS H 1.0 1.8 5.5 926 776 A 13 LYS H A 13 LYS HA 1.0 1.8 4.0 927 777 A 13 LYS H A 13 LYS HB2 1.0 1.8 3.0 928 777 A 13 LYS H A 13 LYS HB3 1.0 1.8 3.0 929 778 A 13 LYS H A 13 LYS HG2 1.0 1.8 3.0 930 778 A 13 LYS H A 13 LYS HG3 1.0 1.8 3.0 931 779 A 7 LEU HA A 14 GLU H 1.0 1.8 5.5 932 780 A 14 GLU H A 8 ASN H 1.0 1.8 5.5 933 781 A 14 GLU H A 9 LEU H 1.0 1.8 5.5 934 782 A 14 GLU H A 13 LYS HA 1.0 1.8 3.0 935 783 A 14 GLU H A 14 GLU HA 1.0 1.8 4.0 936 784 A 14 GLU H A 14 GLU HBx 1.0 1.8 4.0 937 785 A 14 GLU H A 14 GLU HBy 1.0 1.8 3.0 938 786 A 14 GLU HA A 15 GLU H 1.0 1.8 3.0 939 787 A 15 GLU HA A 15 GLU H 1.0 1.8 4.0 940 788 A 15 GLU H A 15 GLU HB2 1.0 1.8 3.0 941 788 A 15 GLU HB3 A 15 GLU H 1.0 1.8 3.0 942 789 A 15 GLU H A 15 GLU HG2 1.0 1.8 3.0 943 789 A 15 GLU HG3 A 15 GLU H 1.0 1.8 3.0 944 790 A 5 LEU HBx A 16 ALA H 1.0 1.8 4.0 945 791 A 16 ALA H A 6 ILE HA 1.0 2.8 6.0 946 792 A 16 ALA H A 15 GLU HA 1.0 1.8 3.0 947 793 A 16 ALA H A 15 GLU HB2 1.0 1.8 4.0 948 793 A 16 ALA H A 15 GLU HB3 1.0 1.8 4.0 949 794 A 16 ALA H A 16 ALA HA 1.0 1.8 4.0 950 795 A 16 ALA H A 16 ALA HB% 1.0 1.8 4.0 951 796 A 16 ALA HA A 17 ILE H 1.0 1.8 3.0 952 797 A 16 ALA HB% A 17 ILE H 1.0 1.8 3.0 953 798 A 16 ALA H A 17 ILE H 1.0 1.8 4.0 954 799 A 17 ILE HA A 17 ILE H 1.0 1.8 4.0 955 800 A 17 ILE H A 17 ILE HB 1.0 1.8 4.0 956 801 A 17 ILE H A 17 ILE HG12 1.0 1.8 4.0 957 801 A 17 ILE H A 17 ILE HG13 1.0 1.8 4.0 958 802 A 17 ILE H A 17 ILE HG2% 1.0 1.8 4.0 959 803 A 30 PHE HE% A 17 ILE H 1.0 1.8 5.5 960 804 A 17 ILE HA A 18 LYS H 1.0 1.8 3.0 961 805 A 17 ILE HB A 18 LYS H 1.0 1.8 4.0 962 806 A 18 LYS H A 18 LYS HA 1.0 1.8 4.0 963 807 A 18 LYS HBx A 18 LYS H 1.0 1.8 4.0 964 808 A 18 LYS H A 18 LYS HBy 1.0 1.8 4.0 965 809 A 18 LYS H A 18 LYS HD2 1.0 1.8 4.0 966 809 A 18 LYS H A 18 LYS HD3 1.0 1.8 4.0 967 810 A 18 LYS H A 19 GLU H 1.0 1.8 5.5 968 811 A 30 PHE HDx A 18 LYS H 1.0 1.8 5.5 969 812 A 30 PHE HE% A 18 LYS H 1.0 1.8 4.0 970 813 A 18 LYS HA A 19 GLU H 1.0 1.8 3.0 971 814 A 18 LYS HBx A 19 GLU H 1.0 1.8 4.0 972 815 A 19 GLU H A 19 GLU HA 1.0 1.8 4.0 973 816 A 19 GLU H A 19 GLU HB2 1.0 1.8 3.0 974 816 A 19 GLU H A 19 GLU HB3 1.0 1.8 3.0 975 817 A 2 THR HA A 20 ALA H 1.0 1.8 4.0 976 818 A 3 TYR HD% A 20 ALA H 1.0 1.8 4.0 977 819 A 19 GLU HA A 20 ALA H 1.0 1.8 3.0 978 820 A 20 ALA H A 19 GLU HB2 1.0 1.8 4.0 979 820 A 19 GLU HB3 A 20 ALA H 1.0 1.8 4.0 980 821 A 19 GLU H A 20 ALA H 1.0 1.8 5.5 981 822 A 20 ALA H A 20 ALA HA 1.0 1.8 4.0 982 823 A 20 ALA H A 20 ALA HB% 1.0 1.8 4.0 983 824 A 20 ALA HA A 21 VAL H 1.0 1.8 3.0 984 825 A 20 ALA HB% A 21 VAL H 1.0 1.8 4.0 985 826 A 21 VAL H A 21 VAL HA 1.0 1.8 4.0 986 827 A 21 VAL H A 21 VAL HB 1.0 1.8 4.0 987 828 A 21 VAL H A 21 VAL HGx% 1.0 1.8 3.0 988 829 A 21 VAL H A 22 ASP H 1.0 1.8 4.0 989 830 A 22 ASP H A 21 VAL HA 1.0 1.8 4.0 990 831 A 22 ASP H A 21 VAL HB 1.0 1.8 4.0 991 832 A 22 ASP H A 21 VAL HGx% 1.0 1.8 3.0 992 833 A 21 VAL H A 22 ASP H 1.0 1.8 3.0 993 834 A 22 ASP H A 22 ASP HA 1.0 1.8 4.0 994 835 A 22 ASP H A 22 ASP HB2 1.0 1.8 4.0 995 835 A 22 ASP H A 22 ASP HB3 1.0 1.8 4.0 996 836 A 22 ASP HA A 23 ALA H 1.0 1.8 3.0 997 837 A 22 ASP H A 23 ALA H 1.0 1.8 4.0 998 838 A 23 ALA H A 23 ALA HA 1.0 1.8 3.0 999 839 A 23 ALA H A 23 ALA HB% 1.0 1.8 3.0 1000 840 A 23 ALA HA A 24 GLY H 1.0 1.8 4.0 1001 841 A 23 ALA HB% A 24 GLY H 1.0 1.8 4.0 1002 842 A 24 GLY H A 24 GLY HA2 1.0 1.8 3.0 1003 842 A 24 GLY HA3 A 24 GLY H 1.0 1.8 3.0 1004 843 A 24 GLY H A 25 ILE H 1.0 1.8 4.0 1005 844 A 24 GLY H A 25 ILE H 1.0 1.8 3.0 1006 845 A 25 ILE H A 25 ILE HA 1.0 1.8 3.0 1007 846 A 25 ILE H A 25 ILE HB 1.0 1.8 3.0 1008 847 A 25 ILE H A 25 ILE HD1% 1.0 1.8 4.0 1009 848 A 25 ILE H A 25 ILE HG12 1.0 1.8 3.0 1010 848 A 25 ILE H A 25 ILE HG13 1.0 1.8 3.0 1011 849 A 26 ALA H A 25 ILE H 1.0 1.8 4.0 1012 850 A 20 ALA HB% A 26 ALA H 1.0 1.8 4.0 1013 851 A 26 ALA H A 25 ILE HA 1.0 1.8 5.5 1014 852 A 26 ALA H A 25 ILE H 1.0 1.8 4.0 1015 853 A 26 ALA H A 26 ALA HA 1.0 1.8 4.0 1016 854 A 26 ALA HB% A 26 ALA H 1.0 1.8 3.0 1017 855 A 26 ALA H A 27 GLU HG2 1.0 1.8 4.0 1018 855 A 26 ALA H A 27 GLU HG3 1.0 1.8 4.0 1019 856 A 26 ALA H A 27 GLU H 1.0 1.8 4.0 1020 857 A 26 ALA H A 28 LYS H 1.0 1.8 4.0 1021 858 A 27 GLU H A 24 GLY HA2 1.0 1.8 4.0 1022 858 A 24 GLY HA3 A 27 GLU H 1.0 1.8 4.0 1023 859 A 27 GLU H A 26 ALA HA 1.0 2.8 6.0 1024 860 A 26 ALA HB% A 27 GLU H 1.0 1.8 4.0 1025 861 A 27 GLU HA A 27 GLU H 1.0 1.8 4.0 1026 862 A 27 GLU H A 27 GLU HBx 1.0 1.8 3.0 1027 863 A 27 GLU H A 27 GLU HG2 1.0 1.8 4.0 1028 863 A 27 GLU HG3 A 27 GLU H 1.0 1.8 4.0 1029 864 A 27 GLU H A 28 LYS H 1.0 1.8 4.0 1030 865 A 27 GLU H A 52 PHE HE% 1.0 1.8 4.0 1031 866 A 26 ALA HB% A 28 LYS H 1.0 1.8 5.5 1032 867 A 27 GLU H A 28 LYS H 1.0 1.8 4.0 1033 868 A 28 LYS H A 28 LYS HA 1.0 1.8 3.0 1034 869 A 28 LYS H A 28 LYS HB2 1.0 1.8 4.0 1035 869 A 28 LYS H A 28 LYS HB3 1.0 1.8 4.0 1036 870 A 28 LYS H A 28 LYS HE2 1.0 1.8 4.0 1037 870 A 28 LYS H A 28 LYS HE3 1.0 1.8 4.0 1038 871 A 28 LYS H A 28 LYS HG2 1.0 1.8 3.0 1039 871 A 28 LYS H A 28 LYS HG3 1.0 1.8 3.0 1040 872 A 30 PHE H A 28 LYS H 1.0 2.8 6.0 1041 873 A 28 LYS HA A 29 TYR H 1.0 1.8 5.5 1042 874 A 29 TYR H A 28 LYS HB2 1.0 1.8 3.0 1043 874 A 28 LYS HB3 A 29 TYR H 1.0 1.8 3.0 1044 875 A 29 TYR H A 28 LYS HG2 1.0 1.8 4.0 1045 875 A 28 LYS HG3 A 29 TYR H 1.0 1.8 4.0 1046 876 A 28 LYS H A 29 TYR H 1.0 1.8 5.5 1047 877 A 29 TYR H A 29 TYR HA 1.0 1.8 4.0 1048 878 A 29 TYR HBx A 29 TYR H 1.0 1.8 4.0 1049 879 A 29 TYR HBy A 29 TYR H 1.0 1.8 4.0 1050 880 A 30 PHE H A 29 TYR H 1.0 1.8 4.0 1051 881 A 30 PHE H A 29 TYR HBy 1.0 1.8 4.0 1052 882 A 30 PHE H A 30 PHE HA 1.0 1.8 4.0 1053 883 A 30 PHE H A 30 PHE HBx 1.0 1.8 4.0 1054 884 A 30 PHE H A 30 PHE HBy 1.0 1.8 3.0 1055 885 A 30 PHE HDy A 30 PHE H 1.0 1.8 4.0 1056 886 A 30 PHE HDx A 30 PHE H 1.0 1.8 4.0 1057 887 A 30 PHE H A 32 LEU H 1.0 1.8 3.0 1058 888 A 28 LYS HA A 31 LYS H 1.0 1.8 5.5 1059 889 A 30 PHE HBy A 31 LYS H 1.0 1.8 4.0 1060 890 A 31 LYS HA A 31 LYS H 1.0 1.8 4.0 1061 891 A 31 LYS HBx A 31 LYS H 1.0 1.8 3.0 1062 892 A 31 LYS H A 31 LYS HG2 1.0 1.8 4.0 1063 892 A 31 LYS HG3 A 31 LYS H 1.0 1.8 4.0 1064 893 A 32 LEU H A 31 LYS H 1.0 1.8 4.0 1065 894 A 43 TRP HZ3 A 31 LYS H 1.0 1.8 5.5 1066 895 A 32 LEU H A 31 LYS H 1.0 1.8 4.0 1067 896 A 32 LEU H A 32 LEU HA 1.0 1.8 4.0 1068 897 A 32 LEU HBy A 32 LEU H 1.0 1.8 3.0 1069 898 A 32 LEU HDx% A 32 LEU H 1.0 1.8 4.0 1070 899 A 32 LEU HA A 33 ILE H 1.0 2.8 6.0 1071 900 A 32 LEU HBy A 33 ILE H 1.0 1.8 5.5 1072 901 A 33 ILE H A 33 ILE HA 1.0 1.8 5.5 1073 902 A 33 ILE H A 33 ILE HB 1.0 1.8 4.0 1074 903 A 33 ILE H A 33 ILE HD1% 1.0 1.8 4.0 1075 904 A 33 ILE H A 34 ALA H 1.0 1.8 4.0 1076 905 A 33 ILE HB A 34 ALA H 1.0 1.8 4.0 1077 906 A 34 ALA H A 34 ALA HA 1.0 1.8 4.0 1078 907 A 34 ALA H A 34 ALA HB% 1.0 1.8 4.0 1079 908 A 43 TRP HZ2 A 34 ALA H 1.0 1.8 4.0 1080 909 A 32 LEU HA A 35 ASN H 1.0 1.8 4.0 1081 910 A 34 ALA HA A 35 ASN H 1.0 1.8 4.0 1082 911 A 34 ALA HB% A 35 ASN H 1.0 1.8 4.0 1083 912 A 35 ASN HA A 35 ASN H 1.0 1.8 4.0 1084 913 A 35 ASN H A 35 ASN HB2 1.0 1.8 3.0 1085 913 A 35 ASN HB3 A 35 ASN H 1.0 1.8 3.0 1086 914 A 37 LYS H A 36 ALA HA 1.0 1.8 5.5 1087 915 A 37 LYS HA A 37 LYS H 1.0 1.8 4.0 1088 916 A 37 LYS H A 37 LYS HB2 1.0 1.8 4.0 1089 916 A 37 LYS HB3 A 37 LYS H 1.0 1.8 4.0 1090 917 A 37 LYS H A 37 LYS HG2 1.0 1.8 3.0 1091 917 A 37 LYS HG3 A 37 LYS H 1.0 1.8 3.0 1092 918 A 37 LYS H A 38 THR H 1.0 1.8 4.0 1093 919 A 38 THR H A 37 LYS HB2 1.0 1.8 4.0 1094 919 A 37 LYS HB3 A 38 THR H 1.0 1.8 4.0 1095 920 A 37 LYS H A 38 THR H 1.0 1.8 3.0 1096 921 A 38 THR HA A 38 THR H 1.0 1.8 3.0 1097 922 A 40 GLU HA A 41 GLY H 1.0 1.8 3.0 1098 923 A 40 GLU HBx A 41 GLY H 1.0 1.8 4.0 1099 924 A 40 GLU HBy A 41 GLY H 1.0 1.8 4.0 1100 925 A 40 GLU H A 41 GLY H 1.0 1.8 4.0 1101 926 A 41 GLY H A 41 GLY HAx 1.0 1.8 3.0 1102 927 A 41 GLY H A 41 GLY HAy 1.0 1.8 3.0 1103 928 A 41 GLY HAy A 42 VAL H 1.0 1.8 4.0 1104 929 A 42 VAL H A 42 VAL HA 1.0 1.8 4.0 1105 930 A 42 VAL H A 42 VAL HB 1.0 1.8 4.0 1106 931 A 42 VAL HGx% A 42 VAL H 1.0 1.8 4.0 1107 932 A 42 VAL HA A 43 TRP H 1.0 1.8 3.0 1108 933 A 42 VAL HB A 43 TRP H 1.0 1.8 5.5 1109 934 A 42 VAL HGx% A 43 TRP H 1.0 1.8 4.0 1110 935 A 43 TRP H A 43 TRP HA 1.0 1.8 4.0 1111 936 A 43 TRP H A 43 TRP HBx 1.0 1.8 3.0 1112 937 A 43 TRP HD1 A 43 TRP H 1.0 1.8 4.0 1113 938 A 43 TRP H A 43 TRP HE1 1.0 2.8 6.0 1114 939 A 41 GLY HAx A 43 TRP HE1 1.0 2.8 6.0 1115 940 A 41 GLY H A 43 TRP HE1 1.0 2.8 6.0 1116 941 A 43 TRP HBx A 43 TRP HE1 1.0 2.8 6.0 1117 942 A 43 TRP HD1 A 43 TRP HE1 1.0 1.8 3.0 1118 943 A 43 TRP HZ2 A 43 TRP HE1 1.0 1.8 3.0 1119 944 A 43 TRP HZ3 A 43 TRP HE1 1.0 2.8 6.0 1120 945 A 54 VAL HB A 43 TRP HE1 1.0 2.8 6.0 1121 946 A 54 VAL HGx% A 43 TRP HE1 1.0 1.8 4.0 1122 947 A 54 VAL HGy% A 43 TRP HE1 1.0 1.8 4.0 1123 948 A 43 TRP HA A 44 THR H 1.0 1.8 3.0 1124 949 A 43 TRP HBx A 44 THR H 1.0 1.8 4.0 1125 950 A 44 THR HA A 44 THR H 1.0 1.8 4.0 1126 951 A 44 THR HG2% A 44 THR H 1.0 1.8 4.0 1127 952 A 45 TYR H A 44 THR H 1.0 2.8 6.0 1128 953 A 54 VAL HA A 44 THR H 1.0 1.8 4.0 1129 954 A 54 VAL HGy% A 44 THR H 1.0 1.8 5.5 1130 955 A 44 THR HA A 45 TYR H 1.0 1.8 3.0 1131 956 A 45 TYR H A 44 THR HB 1.0 1.8 3.0 1132 957 A 45 TYR H A 44 THR HG2% 1.0 1.8 4.0 1133 958 A 45 TYR H A 44 THR H 1.0 2.8 6.0 1134 959 A 45 TYR H A 45 TYR HBx 1.0 1.8 4.0 1135 960 A 45 TYR H A 45 TYR HBy 1.0 1.8 4.0 1136 961 A 45 TYR HA A 46 LYS H 1.0 1.8 3.0 1137 962 A 46 LYS H A 46 LYS HA 1.0 1.8 4.0 1138 963 A 46 LYS H A 46 LYS HBx 1.0 1.8 4.0 1139 964 A 46 LYS H A 46 LYS HBy 1.0 1.8 4.0 1140 965 A 46 LYS H A 46 LYS HEx 1.0 1.8 5.5 1141 966 A 46 LYS H A 46 LYS HEy 1.0 2.8 6.0 1142 967 A 46 LYS H A 46 LYS HG2 1.0 1.8 5.5 1143 967 A 46 LYS H A 46 LYS HG3 1.0 1.8 5.5 1144 968 A 46 LYS H A 47 ASP H 1.0 1.8 5.5 1145 969 A 46 LYS H A 51 THR H 1.0 1.8 5.5 1146 970 A 46 LYS H A 52 PHE HA 1.0 1.8 5.5 1147 971 A 47 ASP H A 45 TYR HE% 1.0 1.8 5.5 1148 972 A 46 LYS HA A 47 ASP H 1.0 1.8 3.0 1149 973 A 46 LYS HBy A 47 ASP H 1.0 1.8 4.0 1150 974 A 46 LYS H A 47 ASP H 1.0 2.8 6.0 1151 975 A 47 ASP H A 47 ASP HA 1.0 1.8 4.0 1152 976 A 47 ASP H A 47 ASP HBx 1.0 1.8 3.0 1153 977 A 47 ASP HBy A 47 ASP H 1.0 1.8 3.0 1154 978 A 47 ASP H A 48 GLU H 1.0 1.8 4.0 1155 979 A 47 ASP HBy A 48 GLU H 1.0 1.8 4.0 1156 980 A 47 ASP H A 48 GLU H 1.0 1.8 4.0 1157 981 A 48 GLU HA A 48 GLU H 1.0 1.8 4.0 1158 982 A 48 GLU H A 48 GLU HB2 1.0 1.8 4.0 1159 982 A 48 GLU HB3 A 48 GLU H 1.0 1.8 4.0 1160 983 A 48 GLU H A 48 GLU HG2 1.0 1.8 4.0 1161 983 A 48 GLU HG3 A 48 GLU H 1.0 1.8 4.0 1162 984 A 49 ILE H A 48 GLU H 1.0 1.8 4.0 1163 985 A 48 GLU HA A 49 ILE H 1.0 1.8 4.0 1164 986 A 49 ILE H A 48 GLU HB2 1.0 1.8 4.0 1165 986 A 48 GLU HB3 A 49 ILE H 1.0 1.8 4.0 1166 987 A 49 ILE H A 48 GLU H 1.0 1.8 4.0 1167 988 A 49 ILE H A 49 ILE HA 1.0 1.8 4.0 1168 989 A 49 ILE H A 49 ILE HB 1.0 1.8 4.0 1169 990 A 49 ILE H A 49 ILE HD1% 1.0 1.8 3.0 1170 991 A 49 ILE H A 49 ILE HG2% 1.0 1.8 4.0 1171 992 A 49 ILE H A 50 LYS H 1.0 1.8 3.0 1172 993 A 49 ILE HA A 50 LYS H 1.0 1.8 4.0 1173 994 A 49 ILE HD1% A 50 LYS H 1.0 1.8 4.0 1174 995 A 49 ILE H A 50 LYS H 1.0 1.8 3.0 1175 996 A 50 LYS H A 50 LYS HA 1.0 1.8 3.0 1176 997 A 50 LYS H A 50 LYS HB2 1.0 1.8 4.0 1177 997 A 50 LYS H A 50 LYS HB3 1.0 1.8 4.0 1178 998 A 50 LYS H A 50 LYS HG2 1.0 1.8 3.0 1179 998 A 50 LYS H A 50 LYS HG3 1.0 1.8 3.0 1180 999 A 50 LYS H A 51 THR H 1.0 1.8 4.0 1181 1000 A 45 TYR HE% A 51 THR H 1.0 1.8 5.5 1182 1001 A 50 LYS HA A 51 THR H 1.0 1.8 4.0 1183 1002 A 51 THR H A 50 LYS HB2 1.0 1.8 5.5 1184 1002 A 50 LYS HB3 A 51 THR H 1.0 1.8 5.5 1185 1003 A 50 LYS H A 51 THR H 1.0 1.8 4.0 1186 1004 A 51 THR HA A 51 THR H 1.0 1.8 5.5 1187 1005 A 51 THR HB A 51 THR H 1.0 1.8 4.0 1188 1006 A 51 THR HG2% A 51 THR H 1.0 1.8 4.0 1189 1007 A 51 THR H A 52 PHE H 1.0 2.8 6.0 1190 1008 A 6 ILE H A 52 PHE H 1.0 1.8 5.5 1191 1009 A 30 PHE HE% A 52 PHE H 1.0 1.8 4.0 1192 1010 A 51 THR HG2% A 52 PHE H 1.0 1.8 4.0 1193 1011 A 52 PHE HA A 52 PHE H 1.0 1.8 3.0 1194 1012 A 52 PHE HBx A 52 PHE H 1.0 1.8 4.0 1195 1013 A 52 PHE HBy A 52 PHE H 1.0 1.8 4.0 1196 1014 A 52 PHE HD% A 52 PHE H 1.0 1.8 4.0 1197 1015 A 52 PHE HA A 53 THR H 1.0 1.8 3.0 1198 1016 A 52 PHE HBy A 53 THR H 1.0 1.8 4.0 1199 1017 A 52 PHE HD% A 53 THR H 1.0 1.8 5.5 1200 1018 A 53 THR H A 52 PHE H 1.0 2.8 6.0 1201 1019 A 53 THR HA A 53 THR H 1.0 1.8 4.0 1202 1020 A 53 THR H A 53 THR HB 1.0 1.8 4.0 1203 1021 A 53 THR H A 53 THR HG2% 1.0 1.8 4.0 1204 1022 A 54 VAL H A 53 THR H 1.0 2.8 6.0 1205 1023 A 6 ILE H A 54 VAL H 1.0 1.8 4.0 1206 1024 A 53 THR HA A 54 VAL H 1.0 1.8 3.0 1207 1025 A 54 VAL H A 53 THR HB 1.0 1.8 5.5 1208 1026 A 54 VAL H A 54 VAL HA 1.0 1.8 4.0 1209 1027 A 54 VAL H A 54 VAL HB 1.0 1.8 4.0 1210 1028 A 54 VAL HGx% A 54 VAL H 1.0 1.8 4.0 1211 1029 A 54 VAL H A 54 VAL HGy% 1.0 1.8 4.0 1212 1030 A 43 TRP HA A 55 THR H 1.0 1.8 5.5 1213 1031 A 54 VAL HA A 55 THR H 1.0 1.8 3.0 1214 1032 A 54 VAL HGx% A 55 THR H 1.0 1.8 4.0 1215 1033 A 54 VAL HGy% A 55 THR H 1.0 1.8 4.0 1216 1034 A 55 THR HA A 55 THR H 1.0 1.8 4.0 1217 1035 A 55 THR HB A 55 THR H 1.0 1.8 4.0 1218 1036 A 55 THR HG2% A 55 THR H 1.0 1.8 4.0 1219 1037 A 55 THR HA A 56 GLU H 1.0 1.8 3.0 1220 1038 A 55 THR HB A 56 GLU H 1.0 1.8 4.0 1221 1039 A 55 THR HG2% A 56 GLU H 1.0 1.8 4.0 1222 1040 A 55 THR H A 56 GLU H 1.0 1.8 5.5 1223 1041 A 56 GLU H A 56 GLU HA 1.0 1.8 4.0 1224 1042 A 56 GLU H A 56 GLU HBx 1.0 1.8 3.0 1225 1043 A 3 TYR HD% A 26 ALA HA 1.0 1.8 5.5 1226 1044 A 3 TYR HD% A 45 TYR HE% 1.0 1.8 5.5 1227 1045 A 3 TYR HD% A 50 LYS HB2 1.0 2.8 6.0 1228 1045 A 3 TYR HD% A 50 LYS HB3 1.0 2.8 6.0 1229 1046 A 3 TYR HD% A 52 PHE HD% 1.0 1.8 3.0 1230 1047 A 5 LEU HBx A 30 PHE HDy 1.0 2.8 6.0 1231 1048 A 5 LEU HBx A 30 PHE HDx 1.0 2.8 6.0 1232 1049 A 30 PHE HDx A 18 LYS HBx 1.0 1.8 5.5 1233 1050 A 26 ALA HB% A 30 PHE HDy 1.0 1.8 4.0 1234 1051 A 26 ALA HB% A 30 PHE HDx 1.0 1.8 4.0 1235 1052 A 27 GLU HA A 52 PHE HE% 1.0 1.8 5.5 1236 1053 A 52 PHE HE% A 27 GLU HG2 1.0 1.8 5.5 1237 1053 A 27 GLU HG3 A 52 PHE HE% 1.0 1.8 5.5 1238 1054 A 30 PHE HDy A 29 TYR HBy 1.0 1.8 5.5 1239 1055 A 30 PHE HDx A 29 TYR HBy 1.0 1.8 4.0 1240 1056 A 30 PHE HDy A 30 PHE HBy 1.0 1.8 5.5 1241 1057 A 30 PHE HDx A 30 PHE HBy 1.0 1.8 4.0 1242 1058 A 3 TYR HD% A 30 PHE HDy 1.0 1.8 4.0 1243 1059 A 43 TRP HZ2 A 34 ALA HB% 1.0 1.8 3.0 1244 1060 A 41 GLY HAy A 43 TRP HD1 1.0 1.8 5.5 1245 1061 A 54 VAL HGx% A 41 GLY HAy 1.0 1.8 5.5 1246 1062 A 31 LYS HA A 43 TRP HZ2 1.0 1.8 5.5 1247 1063 A 31 LYS HBx A 43 TRP HZ2 1.0 1.8 4.0 1248 1064 A 52 PHE HE% A 45 TYR HBy 1.0 2.8 6.0 1249 1065 A 52 PHE HD% A 52 PHE HA 1.0 1.8 5.5 1250 1066 A 30 PHE HDy A 52 PHE HBx 1.0 1.8 5.5 1251 1067 A 30 PHE HDx A 52 PHE HBx 1.0 1.8 5.5 1252 1068 A 52 PHE HD% A 52 PHE HBx 1.0 1.8 4.0 1253 1069 A 52 PHE HD% A 52 PHE HBy 1.0 1.8 4.0 1254 1070 A 54 VAL HGx% A 54 VAL HA 1.0 1.8 4.0 1255 1071 A 54 VAL HGx% A 54 VAL HGy% 1.0 1.8 3.0 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 27 GLU H A 23 ALA O 1.0 1.5 2.5 2 2 A 23 ALA O A 27 GLU N 1.0 2.3 3.2 3 3 A 28 LYS H A 24 GLY O 1.0 1.5 2.5 4 4 A 24 GLY O A 28 LYS N 1.0 2.3 3.2 5 5 A 29 TYR H A 25 ILE O 1.0 1.5 2.5 6 6 A 25 ILE O A 29 TYR N 1.0 2.3 3.2 7 7 A 30 PHE H A 26 ALA O 1.0 1.5 2.5 8 8 A 26 ALA O A 30 PHE N 1.0 2.3 3.2 9 9 A 31 LYS H A 27 GLU O 1.0 1.5 2.5 10 10 A 27 GLU O A 31 LYS N 1.0 2.3 3.2 11 11 A 32 LEU H A 28 LYS O 1.0 1.5 2.5 12 12 A 28 LYS O A 32 LEU N 1.0 2.3 3.2 13 13 A 33 ILE H A 29 TYR O 1.0 1.5 2.5 14 14 A 29 TYR O A 33 ILE N 1.0 2.3 3.2 15 15 A 34 ALA H A 30 PHE O 1.0 1.5 2.5 16 16 A 30 PHE O A 34 ALA N 1.0 2.3 3.2 17 17 A 35 ASN H A 31 LYS O 1.0 1.5 2.5 18 18 A 31 LYS O A 35 ASN N 1.0 2.3 3.2 19 19 A 36 ALA H A 32 LEU O 1.0 1.5 2.5 20 20 A 32 LEU O A 36 ALA N 1.0 2.3 3.2 21 21 A 37 LYS H A 33 ILE O 1.0 1.5 2.5 22 22 A 33 ILE O A 37 LYS N 1.0 2.3 3.2 23 23 A 14 GLU H A 7 LEU O 1.0 1.5 2.5 24 24 A 7 LEU O A 14 GLU N 1.0 2.3 3.2 25 25 A 7 LEU H A 14 GLU O 1.0 1.5 2.5 26 26 A 14 GLU O A 7 LEU N 1.0 2.3 3.2 27 27 A 16 ALA H A 5 LEU O 1.0 1.5 2.5 28 28 A 5 LEU O A 16 ALA N 1.0 2.3 3.2 29 29 A 5 LEU H A 16 ALA O 1.0 1.5 2.5 30 30 A 16 ALA O A 5 LEU N 1.0 2.3 3.2 31 31 A 18 LYS H A 3 TYR O 1.0 1.5 2.5 32 32 A 3 TYR O A 18 LYS N 1.0 2.3 3.2 33 33 A 3 TYR H A 18 LYS O 1.0 1.5 2.5 34 34 A 18 LYS O A 3 TYR N 1.0 2.3 3.2 35 35 A 20 ALA H A 1 THR O 1.0 1.5 2.5 36 36 A 1 THR O A 20 ALA N 1.0 2.3 3.2 37 37 A 20 ALA O A 1 THR N 1.0 2.3 3.2 38 38 A 8 ASN H A 54 VAL O 1.0 1.5 2.5 39 39 A 54 VAL O A 8 ASN N 1.0 2.3 3.2 40 40 A 56 GLU H A 8 ASN O 1.0 1.5 2.5 41 41 A 8 ASN O A 56 GLU N 1.0 2.3 3.2 42 42 A 54 VAL H A 6 ILE O 1.0 1.5 2.5 43 43 A 6 ILE O A 54 VAL N 1.0 2.3 3.2 44 44 A 6 ILE H A 52 PHE O 1.0 1.5 2.5 45 45 A 52 PHE O A 6 ILE N 1.0 2.3 3.2 46 46 A 52 PHE H A 4 LYS O 1.0 1.5 2.5 47 47 A 4 LYS O A 52 PHE N 1.0 2.3 3.2 48 48 A 4 LYS H A 50 LYS O 1.0 1.5 2.5 49 49 A 50 LYS O A 4 LYS N 1.0 2.3 3.2 50 50 A 51 THR H A 46 LYS O 1.0 1.5 2.5 51 51 A 46 LYS O A 51 THR N 1.0 2.3 3.2 52 52 A 46 LYS H A 51 THR O 1.0 1.5 2.5 53 53 A 51 THR O A 46 LYS N 1.0 2.3 3.2 54 54 A 53 THR H A 44 THR O 1.0 1.5 2.5 55 55 A 44 THR O A 53 THR N 1.0 2.3 3.2 56 56 A 44 THR H A 53 THR O 1.0 1.5 2.5 57 57 A 53 THR O A 44 THR N 1.0 2.3 3.2 58 58 A 55 THR H A 42 VAL O 1.0 1.5 2.5 59 59 A 42 VAL O A 55 THR N 1.0 2.3 3.2 60 60 A 42 VAL H A 55 THR O 1.0 1.5 2.5 61 61 A 55 THR O A 42 VAL N 1.0 2.3 3.2 62 62 A 38 THR H A 34 ALA O 1.0 1.5 2.8 63 63 A 34 ALA O A 38 THR N 1.0 2.3 3.5 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 3 TYR C A 4 LYS N A 4 LYS CA A 4 LYS C 1.0 -150.0 -100.0 PHI 2 2 A 4 LYS N A 4 LYS CA A 4 LYS C A 5 LEU N 1.0 113.2 144.6 PSI 3 3 A 4 LYS C A 5 LEU N A 5 LEU CA A 5 LEU C 1.0 -119.7 -69.7 PHI 4 4 A 5 LEU N A 5 LEU CA A 5 LEU C A 6 ILE N 1.0 111.4 142.6 PSI 5 5 A 5 LEU C A 6 ILE N A 6 ILE CA A 6 ILE C 1.0 -145.6 -95.6 PHI 6 6 A 6 ILE N A 6 ILE CA A 6 ILE C A 7 LEU N 1.0 117.3 148.7 PSI 7 7 A 6 ILE C A 7 LEU N A 7 LEU CA A 7 LEU C 1.0 -111.2 -61.2 PHI 8 8 A 7 LEU N A 7 LEU CA A 7 LEU C A 8 ASN N 1.0 111.1 142.5 PSI 9 9 A 12 ALA C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -141.4 -91.4 PHI 10 10 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 GLU N 1.0 122.1 153.5 PSI 11 11 A 13 LYS C A 14 GLU N A 14 GLU CA A 14 GLU C 1.0 -148.5 -98.5 PHI 12 12 A 14 GLU N A 14 GLU CA A 14 GLU C A 15 GLU N 1.0 125.5 156.9 PSI 13 13 A 14 GLU C A 15 GLU N A 15 GLU CA A 15 GLU C 1.0 -139.7 -89.7 PHI 14 14 A 15 GLU N A 15 GLU CA A 15 GLU C A 16 ALA N 1.0 130.6 162.2 PSI 15 15 A 15 GLU C A 16 ALA N A 16 ALA CA A 16 ALA C 1.0 -167.6 -117.6 PHI 16 16 A 16 ALA N A 16 ALA CA A 16 ALA C A 17 ILE N 1.0 143.6 185.0 PSI 17 17 A 16 ALA C A 17 ILE N A 17 ILE CA A 17 ILE C 1.0 -152.9 -102.9 PHI 18 18 A 17 ILE N A 17 ILE CA A 17 ILE C A 18 LYS N 1.0 122.9 164.3 PSI 19 19 A 18 LYS C A 19 GLU N A 19 GLU CA A 19 GLU C 1.0 -121.6 -71.6 PHI 20 20 A 19 GLU N A 19 GLU CA A 19 GLU C A 20 ALA N 1.0 108.5 149.9 PSI 21 21 A 25 ILE C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -87.3 -37.3 PHI 22 22 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 GLU N 1.0 -57.0 -15.4 PSI 23 23 A 26 ALA C A 27 GLU N A 27 GLU CA A 27 GLU C 1.0 -84.8 -34.8 PHI 24 24 A 27 GLU N A 27 GLU CA A 27 GLU C A 28 LYS N 1.0 -61.6 -20.2 PSI 25 25 A 27 GLU C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 -83.8 -33.8 PHI 26 26 A 28 LYS N A 28 LYS CA A 28 LYS C A 29 TYR N 1.0 -64.2 -22.8 PSI 27 27 A 28 LYS C A 29 TYR N A 29 TYR CA A 29 TYR C 1.0 -88.9 -38.9 PHI 28 28 A 29 TYR N A 29 TYR CA A 29 TYR C A 30 PHE N 1.0 -66.1 -24.7 PSI 29 29 A 29 TYR C A 30 PHE N A 30 PHE CA A 30 PHE C 1.0 -94.3 -44.3 PHI 30 30 A 30 PHE N A 30 PHE CA A 30 PHE C A 31 LYS N 1.0 -54.9 -13.5 PSI 31 31 A 30 PHE C A 31 LYS N A 31 LYS CA A 31 LYS C 1.0 -89.6 -39.6 PHI 32 32 A 31 LYS N A 31 LYS CA A 31 LYS C A 32 LEU N 1.0 -63.1 -21.7 PSI 33 33 A 31 LYS C A 32 LEU N A 32 LEU CA A 32 LEU C 1.0 -89.3 -39.3 PHI 34 34 A 32 LEU N A 32 LEU CA A 32 LEU C A 33 ILE N 1.0 -60.7 -19.3 PSI 35 35 A 32 LEU C A 33 ILE N A 33 ILE CA A 33 ILE C 1.0 -91.6 -41.6 PHI 36 36 A 33 ILE N A 33 ILE CA A 33 ILE C A 34 ALA N 1.0 -64.9 -23.5 PSI 37 37 A 33 ILE C A 34 ALA N A 34 ALA CA A 34 ALA C 1.0 -88.8 -38.8 PHI 38 38 A 34 ALA N A 34 ALA CA A 34 ALA C A 35 ASN N 1.0 -52.3 -10.9 PSI 39 39 A 34 ALA C A 35 ASN N A 35 ASN CA A 35 ASN C 1.0 -90.3 -40.3 PHI 40 40 A 35 ASN N A 35 ASN CA A 35 ASN C A 36 ALA N 1.0 -60.2 -18.8 PSI 41 41 A 35 ASN C A 36 ALA N A 36 ALA CA A 36 ALA C 1.0 -87.9 -37.9 PHI 42 42 A 36 ALA N A 36 ALA CA A 36 ALA C A 37 LYS N 1.0 -62.5 -21.1 PSI 43 43 A 36 ALA C A 37 LYS N A 37 LYS CA A 37 LYS C 1.0 -93.7 -43.7 PHI 44 44 A 37 LYS N A 37 LYS CA A 37 LYS C A 38 THR N 1.0 -55.8 -13.0 PSI 45 45 A 41 GLY C A 42 VAL N A 42 VAL CA A 42 VAL C 1.0 -135.5 -78.9 PHI 46 46 A 42 VAL N A 42 VAL CA A 42 VAL C A 43 TRP N 1.0 104.8 147.4 PSI 47 47 A 42 VAL C A 43 TRP N A 43 TRP CA A 43 TRP C 1.0 -128.8 -78.8 PHI 48 48 A 43 TRP N A 43 TRP CA A 43 TRP C A 44 THR N 1.0 114.5 157.1 PSI 49 49 A 43 TRP C A 44 THR N A 44 THR CA A 44 THR C 1.0 -146.9 -91.1 PHI 50 50 A 44 THR N A 44 THR CA A 44 THR C A 45 TYR N 1.0 137.6 180.4 PSI 51 51 A 44 THR C A 45 TYR N A 45 TYR CA A 45 TYR C 1.0 -138.1 -88.1 PHI 52 52 A 45 TYR N A 45 TYR CA A 45 TYR C A 46 LYS N 1.0 99.7 142.5 PSI 53 53 A 45 TYR C A 46 LYS N A 46 LYS CA A 46 LYS C 1.0 -129.9 -79.9 PHI 54 54 A 46 LYS N A 46 LYS CA A 46 LYS C A 47 ASP N 1.0 93.3 136.1 PSI 55 55 A 50 LYS C A 51 THR N A 51 THR CA A 51 THR C 1.0 -159.0 -109.0 PHI 56 56 A 51 THR N A 51 THR CA A 51 THR C A 52 PHE N 1.0 106.8 154.8 PSI 57 57 A 51 THR C A 52 PHE N A 52 PHE CA A 52 PHE C 1.0 -137.8 -87.8 PHI 58 58 A 52 PHE N A 52 PHE CA A 52 PHE C A 53 THR N 1.0 102.4 150.4 PSI 59 59 A 52 PHE C A 53 THR N A 53 THR CA A 53 THR C 1.0 -142.6 -92.6 PHI 60 60 A 53 THR N A 53 THR CA A 53 THR C A 54 VAL N 1.0 105.7 153.7 PSI 61 61 A 53 THR C A 54 VAL N A 54 VAL CA A 54 VAL C 1.0 -122.6 -72.6 PHI 62 62 A 54 VAL N A 54 VAL CA A 54 VAL C A 55 THR N 1.0 97.5 145.5 PSI 63 63 A 54 VAL C A 55 THR N A 55 THR CA A 55 THR C 1.0 -130.9 -77.1 PHI 64 64 A 55 THR N A 55 THR CA A 55 THR C A 56 GLU N 1.0 103.8 151.8 PSI stop_ save_