data_nef_c18355_2lra 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 18356 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 GLY start . false 2 A 2 ALA middle . . 3 A 3 MET middle . . 4 A 4 ALA middle . . 5 A 5 PHE middle . . 6 A 6 ASP middle . . 7 A 7 GLY middle . false 8 A 8 GLU middle . . 9 A 9 ASP middle . . 10 A 10 GLU middle . . 11 A 11 VAL middle . . 12 A 12 THR middle . . 13 A 13 GLY middle . false 14 A 14 PRO middle . false 15 A 15 ASP middle . . 16 A 16 ALA middle . . 17 A 17 ASP middle . . 18 A 18 ARG middle . . 19 A 19 ALA middle . . 20 A 20 ARG middle . . 21 A 21 ALA middle . . 22 A 22 ALA middle . . 23 A 23 ALA middle . . 24 A 24 VAL middle . . 25 A 25 GLN middle . . 26 A 26 ALA middle . . 27 A 27 VAL middle . . 28 A 28 PRO middle . false 29 A 29 GLY middle . false 30 A 30 GLY middle . false 31 A 31 THR middle . . 32 A 32 ALA middle . . 33 A 33 GLY middle . false 34 A 34 GLU middle . . 35 A 35 VAL middle . . 36 A 36 GLU middle . . 37 A 37 THR middle . . 38 A 38 GLU middle . . 39 A 39 THR middle . . 40 A 40 GLY middle . false 41 A 41 GLU middle . . 42 A 42 GLY middle . false 43 A 43 ALA middle . . 44 A 44 ALA middle . . 45 A 45 ALA middle . . 46 A 46 TYR middle . . 47 A 47 GLY middle . false 48 A 48 VAL middle . . 49 A 49 LEU middle . . 50 A 50 VAL middle . . 51 A 51 THR middle . . 52 A 52 ARG middle . . 53 A 53 PRO middle . false 54 A 54 ASP middle . . 55 A 55 GLY middle . false 56 A 56 THR middle . . 57 A 57 ARG middle . . 58 A 58 VAL middle . . 59 A 59 GLU middle . . 60 A 60 VAL middle . . 61 A 61 HIS middle . . 62 A 62 LEU middle . . 63 A 63 ASP middle . . 64 A 64 ARG middle . . 65 A 65 ASP middle . . 66 A 66 PHE middle . . 67 A 67 ARG middle . . 68 A 68 VAL middle . . 69 A 69 LEU middle . . 70 A 70 ASP middle . . 71 A 71 THR middle . . 72 A 72 GLU middle . . 73 A 73 PRO middle . false 74 A 74 ALA middle . . 75 A 75 ASP middle . . 76 A 76 GLY middle . false 77 A 77 ASP middle . . 78 A 78 GLY middle . false 79 A 79 GLY middle . false 80 A 80 LEU middle . . 81 A 81 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 2 ALA HA H 1 4.339 0.020 A 2 ALA HB% H 1 1.378 0.020 A 2 ALA CA C 13 52.220 0.3 A 2 ALA CB C 13 19.484 0.3 A 3 MET H H 1 8.451 0.020 A 3 MET HA H 1 4.381 0.020 A 3 MET HBx H 1 1.943 0.020 A 3 MET HBy H 1 2.497 0.020 A 3 MET HGx H 1 1.985 0.020 A 3 MET HGy H 1 2.529 0.020 A 3 MET C C 13 173.043 0.3 A 3 MET CA C 13 55.337 0.3 A 3 MET CB C 13 33.034 0.3 A 3 MET CG C 13 32.107 0.3 A 3 MET N N 15 119.476 0.3 A 4 ALA H H 1 8.261 0.020 A 4 ALA HA H 1 4.260 0.020 A 4 ALA HB% H 1 1.284 0.020 A 4 ALA C C 13 174.773 0.3 A 4 ALA CA C 13 52.486 0.3 A 4 ALA CB C 13 19.360 0.3 A 4 ALA N N 15 125.085 0.3 A 5 PHE H H 1 8.251 0.020 A 5 PHE HA H 1 4.585 0.020 A 5 PHE HBx H 1 3.019 0.020 A 5 PHE HBy H 1 3.147 0.020 A 5 PHE HD1 H 1 7.155 0.020 A 5 PHE HD2 H 1 7.155 0.020 A 5 PHE HEx H 1 6.660 0.020 A 5 PHE HEy H 1 6.935 0.020 A 5 PHE HZ H 1 7.233 0.020 A 5 PHE C C 13 172.996 0.3 A 5 PHE CA C 13 57.578 0.3 A 5 PHE CB C 13 39.352 0.3 A 5 PHE CD1 C 13 134.122 0.3 A 5 PHE CD2 C 13 134.122 0.3 A 5 PHE CE1 C 13 135.339 0.3 A 5 PHE CE2 C 13 137.131 0.3 A 5 PHE CZ C 13 136.944 0.3 A 5 PHE N N 15 119.233 0.3 A 6 ASP H H 1 8.289 0.020 A 6 ASP HA H 1 4.590 0.020 A 6 ASP HBx H 1 2.607 0.020 A 6 ASP HBy H 1 2.641 0.020 A 6 ASP C C 13 173.991 0.3 A 6 ASP CA C 13 54.284 0.3 A 6 ASP CB C 13 41.364 0.3 A 6 ASP N N 15 121.737 0.3 A 7 GLY H H 1 8.061 0.020 A 7 GLY HAx H 1 3.942 0.020 A 7 GLY HAy H 1 3.952 0.020 A 7 GLY C C 13 171.859 0.3 A 7 GLY CA C 13 45.493 0.3 A 7 GLY N N 15 109.196 0.3 A 8 GLU H H 1 8.245 0.020 A 8 GLU HA H 1 4.308 0.020 A 8 GLU HBx H 1 1.915 0.020 A 8 GLU HBy H 1 1.915 0.020 A 8 GLU HG2 H 1 2.236 0.020 A 8 GLU HG3 H 1 2.236 0.020 A 8 GLU C C 13 173.802 0.3 A 8 GLU CA C 13 56.572 0.3 A 8 GLU CB C 13 30.369 0.3 A 8 GLU CG C 13 36.231 0.3 A 8 GLU N N 15 120.473 0.3 A 9 ASP H H 1 8.404 0.020 A 9 ASP HA H 1 4.648 0.020 A 9 ASP HBx H 1 2.592 0.020 A 9 ASP HBy H 1 2.749 0.020 A 9 ASP C C 13 173.446 0.3 A 9 ASP CA C 13 54.351 0.3 A 9 ASP CB C 13 41.407 0.3 A 9 ASP N N 15 120.765 0.3 A 10 GLU H H 1 8.184 0.020 A 10 GLU HA H 1 4.363 0.020 A 10 GLU HBx H 1 1.978 0.020 A 10 GLU HBy H 1 2.030 0.020 A 10 GLU HGx H 1 2.230 0.020 A 10 GLU HGy H 1 2.282 0.020 A 10 GLU C C 13 173.802 0.3 A 10 GLU CA C 13 56.459 0.3 A 10 GLU CB C 13 30.750 0.3 A 10 GLU CG C 13 36.231 0.3 A 10 GLU N N 15 120.972 0.3 A 11 VAL H H 1 8.357 0.020 A 11 VAL HA H 1 4.252 0.020 A 11 VAL HB H 1 2.016 0.020 A 11 VAL HG1% H 1 1.022 0.020 A 11 VAL HG2% H 1 0.990 0.020 A 11 VAL C C 13 173.612 0.3 A 11 VAL CA C 13 62.249 0.3 A 11 VAL CB C 13 32.574 0.3 A 11 VAL CG1 C 13 23.062 0.3 A 11 VAL CG2 C 13 21.463 0.3 A 11 VAL N N 15 123.292 0.3 A 12 THR H H 1 8.466 0.020 A 12 THR HA H 1 4.502 0.020 A 12 THR HB H 1 4.293 0.020 A 12 THR HG2% H 1 1.233 0.020 A 12 THR C C 13 172.238 0.3 A 12 THR CA C 13 61.121 0.3 A 12 THR CB C 13 70.673 0.3 A 12 THR CG2 C 13 21.471 0.3 A 12 THR N N 15 118.143 0.3 A 13 GLY H H 1 8.542 0.020 A 13 GLY HAx H 1 4.037 0.020 A 13 GLY HAy H 1 4.219 0.020 A 13 GLY C C 13 170.461 0.3 A 13 GLY CA C 13 45.548 0.3 A 13 GLY N N 15 109.939 0.3 A 14 PRO HA H 1 4.384 0.020 A 14 PRO HBy H 1 2.351 0.020 A 14 PRO HBx H 1 2.350 0.020 A 14 PRO HDy H 1 3.781 0.020 A 14 PRO HDx H 1 3.671 0.020 A 14 PRO HGy H 1 2.082 0.020 A 14 PRO HGx H 1 2.006 0.020 A 14 PRO C C 13 176.147 0.3 A 14 PRO CA C 13 64.374 0.3 A 14 PRO CB C 13 32.120 0.3 A 14 PRO CD C 13 50.168 0.3 A 14 PRO CG C 13 27.477 0.3 A 15 ASP H H 1 8.379 0.020 A 15 ASP HA H 1 4.363 0.020 A 15 ASP HB2 H 1 2.738 0.020 A 15 ASP HB3 H 1 2.738 0.020 A 15 ASP C C 13 174.749 0.3 A 15 ASP CA C 13 56.448 0.3 A 15 ASP CB C 13 40.402 0.3 A 15 ASP N N 15 119.623 0.3 A 16 ALA H H 1 8.060 0.020 A 16 ALA HA H 1 3.837 0.020 A 16 ALA HB% H 1 1.407 0.020 A 16 ALA C C 13 176.763 0.3 A 16 ALA CA C 13 55.413 0.3 A 16 ALA CB C 13 17.683 0.3 A 16 ALA N N 15 122.831 0.3 A 17 ASP H H 1 7.846 0.020 A 17 ASP HA H 1 4.351 0.020 A 17 ASP HBx H 1 2.613 0.020 A 17 ASP HBy H 1 2.665 0.020 A 17 ASP C C 13 176.905 0.3 A 17 ASP CA C 13 57.341 0.3 A 17 ASP CB C 13 40.113 0.3 A 17 ASP N N 15 117.128 0.3 A 18 ARG H H 1 7.680 0.020 A 18 ARG HA H 1 3.730 0.020 A 18 ARG HBy H 1 1.128 0.020 A 18 ARG HBx H 1 0.758 0.020 A 18 ARG HDx H 1 2.489 0.020 A 18 ARG HDy H 1 2.726 0.020 A 18 ARG HGx H 1 0.927 0.020 A 18 ARG HGy H 1 1.377 0.020 A 18 ARG C C 13 176.550 0.3 A 18 ARG CA C 13 58.919 0.3 A 18 ARG CB C 13 29.390 0.3 A 18 ARG CD C 13 43.510 0.3 A 18 ARG CG C 13 27.176 0.3 A 18 ARG N N 15 121.742 0.3 A 19 ALA H H 1 8.000 0.020 A 19 ALA HA H 1 3.867 0.020 A 19 ALA HB% H 1 1.101 0.020 A 19 ALA C C 13 176.550 0.3 A 19 ALA CA C 13 54.996 0.3 A 19 ALA CB C 13 17.551 0.3 A 19 ALA N N 15 122.839 0.3 A 20 ARG H H 1 8.353 0.020 A 20 ARG HA H 1 3.607 0.020 A 20 ARG HBx H 1 1.134 0.020 A 20 ARG HBy H 1 1.990 0.020 A 20 ARG HD2 H 1 3.177 0.020 A 20 ARG HD3 H 1 3.177 0.020 A 20 ARG HG2 H 1 1.672 0.020 A 20 ARG HG3 H 1 1.672 0.020 A 20 ARG C C 13 175.176 0.3 A 20 ARG CA C 13 61.222 0.3 A 20 ARG CB C 13 30.369 0.3 A 20 ARG CD C 13 43.325 0.3 A 20 ARG CG C 13 26.627 0.3 A 20 ARG N N 15 117.069 0.3 A 21 ALA H H 1 7.652 0.020 A 21 ALA HA H 1 4.037 0.020 A 21 ALA HB% H 1 1.369 0.020 A 21 ALA C C 13 177.900 0.3 A 21 ALA CA C 13 54.699 0.3 A 21 ALA CB C 13 17.851 0.3 A 21 ALA N N 15 119.280 0.3 A 22 ALA H H 1 7.689 0.020 A 22 ALA HA H 1 4.149 0.020 A 22 ALA HB% H 1 1.572 0.020 A 22 ALA C C 13 177.900 0.3 A 22 ALA CA C 13 54.336 0.3 A 22 ALA CB C 13 19.402 0.3 A 22 ALA N N 15 120.091 0.3 A 23 ALA H H 1 8.240 0.020 A 23 ALA HA H 1 3.965 0.020 A 23 ALA HB% H 1 1.286 0.020 A 23 ALA C C 13 176.360 0.3 A 23 ALA CA C 13 55.272 0.3 A 23 ALA CB C 13 19.360 0.3 A 23 ALA N N 15 119.943 0.3 A 24 VAL H H 1 7.868 0.020 A 24 VAL HA H 1 3.725 0.020 A 24 VAL HB H 1 2.153 0.020 A 24 VAL HG1% H 1 1.000 0.020 A 24 VAL HG2% H 1 0.950 0.020 A 24 VAL C C 13 175.768 0.3 A 24 VAL CA C 13 65.052 0.3 A 24 VAL CB C 13 31.375 0.3 A 24 VAL CG1 C 13 22.118 0.3 A 24 VAL CG2 C 13 22.112 0.3 A 24 VAL N N 15 112.340 0.3 A 25 GLN H H 1 7.323 0.020 A 25 GLN HA H 1 4.039 0.020 A 25 GLN HBx H 1 2.158 0.020 A 25 GLN HBy H 1 2.159 0.020 A 25 GLN HE21 H 1 6.846 0.020 A 25 GLN HE22 H 1 7.480 0.020 A 25 GLN HGx H 1 2.417 0.020 A 25 GLN HGy H 1 2.531 0.020 A 25 GLN C C 13 174.607 0.3 A 25 GLN CA C 13 58.030 0.3 A 25 GLN CB C 13 28.462 0.3 A 25 GLN CG C 13 34.105 0.3 A 25 GLN N N 15 119.112 0.3 A 25 GLN NE2 N 15 112.154 0.3 A 26 ALA H H 1 7.212 0.020 A 26 ALA HA H 1 4.313 0.020 A 26 ALA HB% H 1 1.556 0.020 A 26 ALA C C 13 174.583 0.3 A 26 ALA CA C 13 52.677 0.3 A 26 ALA CB C 13 19.751 0.3 A 26 ALA N N 15 118.209 0.3 A 27 VAL H H 1 7.312 0.020 A 27 VAL HA H 1 4.291 0.020 A 27 VAL HB H 1 2.066 0.020 A 27 VAL HG1% H 1 0.741 0.020 A 27 VAL HG2% H 1 0.740 0.020 A 27 VAL CA C 13 58.752 0.3 A 27 VAL CB C 13 32.840 0.3 A 27 VAL CG1 C 13 19.938 0.3 A 27 VAL CG2 C 13 19.934 0.3 A 27 VAL N N 15 119.112 0.3 A 28 PRO HA H 1 4.378 0.020 A 28 PRO HBy H 1 2.271 0.020 A 28 PRO HBx H 1 1.873 0.020 A 28 PRO HDx H 1 3.485 0.020 A 28 PRO HDy H 1 3.566 0.020 A 28 PRO HGx H 1 1.933 0.020 A 28 PRO HGy H 1 2.006 0.020 A 28 PRO C C 13 176.147 0.3 A 28 PRO CA C 13 64.090 0.3 A 28 PRO CB C 13 31.579 0.3 A 28 PRO CD C 13 50.134 0.3 A 28 PRO CG C 13 27.519 0.3 A 29 GLY H H 1 8.794 0.020 A 29 GLY HAx H 1 3.727 0.020 A 29 GLY HAy H 1 4.092 0.020 A 29 GLY C C 13 172.617 0.3 A 29 GLY CA C 13 45.210 0.3 A 29 GLY N N 15 112.612 0.3 A 30 GLY H H 1 8.746 0.020 A 30 GLY HAx H 1 3.241 0.020 A 30 GLY HAy H 1 4.343 0.020 A 30 GLY C C 13 169.514 0.3 A 30 GLY CA C 13 44.877 0.3 A 30 GLY N N 15 107.549 0.3 A 31 THR H H 1 8.442 0.020 A 31 THR HA H 1 4.523 0.020 A 31 THR HB H 1 3.964 0.020 A 31 THR HG2% H 1 1.168 0.020 A 31 THR C C 13 171.267 0.3 A 31 THR CA C 13 61.258 0.3 A 31 THR CB C 13 70.713 0.3 A 31 THR CG2 C 13 21.539 0.3 A 31 THR N N 15 114.195 0.3 A 32 ALA H H 1 9.130 0.020 A 32 ALA HA H 1 4.605 0.020 A 32 ALA HB% H 1 1.319 0.020 A 32 ALA C C 13 173.991 0.3 A 32 ALA CA C 13 51.857 0.3 A 32 ALA CB C 13 20.478 0.3 A 32 ALA N N 15 130.398 0.3 A 33 GLY H H 1 8.774 0.020 A 33 GLY HAx H 1 3.500 0.020 A 33 GLY HAy H 1 4.414 0.020 A 33 GLY C C 13 170.295 0.3 A 33 GLY CA C 13 44.830 0.3 A 33 GLY N N 15 112.887 0.3 A 34 GLU H H 1 8.977 0.020 A 34 GLU HA H 1 4.100 0.020 A 34 GLU HBx H 1 1.985 0.020 A 34 GLU HBy H 1 1.991 0.020 A 34 GLU HGy H 1 2.372 0.020 A 34 GLU HGx H 1 2.361 0.020 A 34 GLU C C 13 172.641 0.3 A 34 GLU CA C 13 57.894 0.3 A 34 GLU CB C 13 30.452 0.3 A 34 GLU CG C 13 36.503 0.3 A 34 GLU N N 15 127.346 0.3 A 35 VAL H H 1 8.439 0.020 A 35 VAL HA H 1 4.863 0.020 A 35 VAL HB H 1 2.026 0.020 A 35 VAL HG1% H 1 1.106 0.020 A 35 VAL HG2% H 1 0.938 0.020 A 35 VAL C C 13 172.664 0.3 A 35 VAL CA C 13 60.295 0.3 A 35 VAL CB C 13 34.166 0.3 A 35 VAL CG1 C 13 22.051 0.3 A 35 VAL CG2 C 13 22.051 0.3 A 35 VAL N N 15 122.148 0.3 A 36 GLU H H 1 9.528 0.020 A 36 GLU HA H 1 5.007 0.020 A 36 GLU HBy H 1 2.024 0.020 A 36 GLU HBx H 1 1.960 0.020 A 36 GLU HG2 H 1 2.235 0.020 A 36 GLU HG3 H 1 2.235 0.020 A 36 GLU C C 13 173.778 0.3 A 36 GLU CA C 13 54.084 0.3 A 36 GLU CB C 13 32.574 0.3 A 36 GLU CG C 13 35.171 0.3 A 36 GLU N N 15 127.230 0.3 A 37 THR H H 1 8.642 0.020 A 37 THR HA H 1 4.611 0.020 A 37 THR HB H 1 4.133 0.020 A 37 THR HG2% H 1 1.201 0.020 A 37 THR C C 13 171.835 0.3 A 37 THR CA C 13 61.444 0.3 A 37 THR CB C 13 69.710 0.3 A 37 THR CG2 C 13 22.251 0.3 A 37 THR N N 15 116.129 0.3 A 38 GLU H H 1 7.672 0.020 A 38 GLU HA H 1 4.471 0.020 A 38 GLU HB2 H 1 1.524 0.020 A 38 GLU HB3 H 1 1.524 0.020 A 38 GLU HGx H 1 1.979 0.020 A 38 GLU HGy H 1 1.992 0.020 A 38 GLU C C 13 173.422 0.3 A 38 GLU CA C 13 55.160 0.3 A 38 GLU CB C 13 30.717 0.3 A 38 GLU CG C 13 35.038 0.3 A 38 GLU N N 15 123.135 0.3 A 39 THR H H 1 8.282 0.020 A 39 THR HA H 1 4.414 0.020 A 39 THR HB H 1 4.210 0.020 A 39 THR HG2% H 1 1.085 0.020 A 39 THR C C 13 172.427 0.3 A 39 THR CA C 13 61.259 0.3 A 39 THR CB C 13 69.907 0.3 A 39 THR CG2 C 13 21.585 0.3 A 39 THR N N 15 113.601 0.3 A 40 GLY H H 1 8.263 0.020 A 40 GLY HAx H 1 3.500 0.020 A 40 GLY HAy H 1 4.414 0.020 A 40 GLY C C 13 171.456 0.3 A 40 GLY CA C 13 44.820 0.3 A 40 GLY N N 15 111.108 0.3 A 41 GLU H H 1 8.408 0.020 A 41 GLU HA H 1 4.244 0.020 A 41 GLU HBx H 1 1.863 0.020 A 41 GLU HBy H 1 2.028 0.020 A 41 GLU HG2 H 1 2.194 0.020 A 41 GLU HG3 H 1 2.194 0.020 A 41 GLU C C 13 174.560 0.3 A 41 GLU CA C 13 56.391 0.3 A 41 GLU CB C 13 30.065 0.3 A 41 GLU CG C 13 36.170 0.3 A 41 GLU N N 15 120.424 0.3 A 42 GLY H H 1 8.342 0.020 A 42 GLY HAx H 1 3.930 0.020 A 42 GLY HAy H 1 3.963 0.020 A 42 GLY C C 13 171.101 0.3 A 42 GLY CA C 13 45.273 0.3 A 42 GLY N N 15 110.637 0.3 A 43 ALA H H 1 8.156 0.020 A 43 ALA HA H 1 4.140 0.020 A 43 ALA HB% H 1 1.345 0.020 A 43 ALA C C 13 175.365 0.3 A 43 ALA CA C 13 52.690 0.3 A 43 ALA CB C 13 19.473 0.3 A 43 ALA N N 15 122.114 0.3 A 44 ALA H H 1 7.816 0.020 A 44 ALA HA H 1 3.930 0.020 A 44 ALA HB% H 1 1.204 0.020 A 44 ALA C C 13 173.233 0.3 A 44 ALA CA C 13 52.735 0.3 A 44 ALA CB C 13 18.757 0.3 A 44 ALA N N 15 120.032 0.3 A 45 ALA H H 1 8.841 0.020 A 45 ALA HA H 1 4.342 0.020 A 45 ALA HB% H 1 0.828 0.020 A 45 ALA C C 13 174.583 0.3 A 45 ALA CA C 13 52.358 0.3 A 45 ALA CB C 13 21.297 0.3 A 45 ALA N N 15 124.258 0.3 A 46 TYR H H 1 7.997 0.020 A 46 TYR HA H 1 5.486 0.020 A 46 TYR HBx H 1 2.539 0.020 A 46 TYR HBy H 1 2.843 0.020 A 46 TYR HDy H 1 6.745 0.020 A 46 TYR HDx H 1 6.741 0.020 A 46 TYR HEy H 1 6.342 0.020 A 46 TYR HEx H 1 6.335 0.020 A 46 TYR C C 13 172.048 0.3 A 46 TYR CA C 13 55.954 0.3 A 46 TYR CB C 13 43.586 0.3 A 46 TYR CD1 C 13 138.272 0.3 A 46 TYR CD2 C 13 138.289 0.3 A 46 TYR CE1 C 13 122.862 0.3 A 46 TYR CE2 C 13 122.862 0.3 A 46 TYR N N 15 114.162 0.3 A 47 GLY H H 1 9.216 0.020 A 47 GLY HAx H 1 3.656 0.020 A 47 GLY HAy H 1 5.147 0.020 A 47 GLY C C 13 170.106 0.3 A 47 GLY CA C 13 44.471 0.3 A 47 GLY N N 15 110.989 0.3 A 48 VAL H H 1 9.074 0.020 A 48 VAL HA H 1 4.883 0.020 A 48 VAL HB H 1 1.725 0.020 A 48 VAL HG1% H 1 0.833 0.020 A 48 VAL HG2% H 1 0.749 0.020 A 48 VAL C C 13 172.072 0.3 A 48 VAL CA C 13 60.270 0.3 A 48 VAL CB C 13 35.361 0.3 A 48 VAL CG1 C 13 21.652 0.3 A 48 VAL CG2 C 13 21.652 0.3 A 48 VAL N N 15 123.795 0.3 A 49 LEU H H 1 8.421 0.020 A 49 LEU HA H 1 4.737 0.020 A 49 LEU HBx H 1 1.627 0.020 A 49 LEU HBy H 1 1.671 0.020 A 49 LEU HD1% H 1 0.793 0.020 A 49 LEU HD2% H 1 0.717 0.020 A 49 LEU HG H 1 1.538 0.020 A 49 LEU C C 13 173.802 0.3 A 49 LEU CA C 13 55.068 0.3 A 49 LEU CB C 13 42.259 0.3 A 49 LEU CD1 C 13 24.316 0.3 A 49 LEU CD2 C 13 24.316 0.3 A 49 LEU CG C 13 27.446 0.3 A 49 LEU N N 15 130.018 0.3 A 50 VAL H H 1 9.528 0.020 A 50 VAL HA H 1 4.685 0.020 A 50 VAL HB H 1 1.890 0.020 A 50 VAL HG1% H 1 0.729 0.020 A 50 VAL HG2% H 1 0.697 0.020 A 50 VAL C C 13 172.214 0.3 A 50 VAL CA C 13 61.084 0.3 A 50 VAL CB C 13 34.404 0.3 A 50 VAL CG1 C 13 22.131 0.3 A 50 VAL CG2 C 13 22.118 0.3 A 50 VAL N N 15 128.320 0.3 A 51 THR H H 1 8.743 0.020 A 51 THR HA H 1 4.842 0.020 A 51 THR HB H 1 3.932 0.020 A 51 THR HG2% H 1 1.252 0.020 A 51 THR C C 13 172.735 0.3 A 51 THR CA C 13 61.959 0.3 A 51 THR CB C 13 69.461 0.3 A 51 THR CG2 C 13 21.378 0.3 A 51 THR N N 15 122.714 0.3 A 52 ARG H H 1 9.404 0.020 A 52 ARG HA H 1 4.231 0.020 A 52 ARG HBy H 1 2.039 0.020 A 52 ARG HBx H 1 2.016 0.020 A 52 ARG HDx H 1 3.080 0.020 A 52 ARG HDy H 1 3.090 0.020 A 52 ARG HG2 H 1 1.588 0.020 A 52 ARG HG3 H 1 1.588 0.020 A 52 ARG C C 13 173.612 0.3 A 52 ARG CA C 13 56.270 0.3 A 52 ARG CB C 13 29.884 0.3 A 52 ARG CD C 13 43.205 0.3 A 52 ARG CG C 13 28.685 0.3 A 52 ARG N N 15 127.522 0.3 A 53 PRO HA H 1 4.350 0.020 A 53 PRO HBy H 1 2.414 0.020 A 53 PRO HBx H 1 1.928 0.020 A 53 PRO HDx H 1 3.467 0.020 A 53 PRO HDy H 1 3.774 0.020 A 53 PRO HG2 H 1 2.162 0.020 A 53 PRO HG3 H 1 2.162 0.020 A 53 PRO C C 13 173.825 0.3 A 53 PRO CA C 13 65.415 0.3 A 53 PRO CB C 13 31.579 0.3 A 53 PRO CD C 13 50.143 0.3 A 53 PRO CG C 13 27.705 0.3 A 54 ASP H H 1 7.299 0.020 A 54 ASP HA H 1 4.486 0.020 A 54 ASP HBx H 1 2.602 0.020 A 54 ASP HBy H 1 3.083 0.020 A 54 ASP C C 13 174.583 0.3 A 54 ASP CA C 13 53.197 0.3 A 54 ASP CB C 13 39.746 0.3 A 54 ASP N N 15 112.927 0.3 A 55 GLY H H 1 8.380 0.020 A 55 GLY HAx H 1 3.523 0.020 A 55 GLY HAy H 1 4.349 0.020 A 55 GLY C C 13 172.427 0.3 A 55 GLY CA C 13 45.061 0.3 A 55 GLY N N 15 108.870 0.3 A 56 THR H H 1 8.095 0.020 A 56 THR HA H 1 4.361 0.020 A 56 THR HB H 1 4.287 0.020 A 56 THR HG2% H 1 1.200 0.020 A 56 THR C C 13 171.077 0.3 A 56 THR CA C 13 62.478 0.3 A 56 THR CB C 13 70.596 0.3 A 56 THR CG2 C 13 22.251 0.3 A 56 THR N N 15 114.273 0.3 A 57 ARG H H 1 8.750 0.020 A 57 ARG HA H 1 5.420 0.020 A 57 ARG HBx H 1 1.603 0.020 A 57 ARG HBy H 1 1.715 0.020 A 57 ARG HDy H 1 3.177 0.020 A 57 ARG HDx H 1 3.152 0.020 A 57 ARG HG2 H 1 1.664 0.020 A 57 ARG HG3 H 1 1.664 0.020 A 57 ARG C C 13 173.612 0.3 A 57 ARG CA C 13 55.084 0.3 A 57 ARG CB C 13 33.795 0.3 A 57 ARG CD C 13 44.095 0.3 A 57 ARG CG C 13 27.446 0.3 A 57 ARG N N 15 120.054 0.3 A 58 VAL H H 1 9.344 0.020 A 58 VAL HA H 1 4.591 0.020 A 58 VAL HB H 1 1.857 0.020 A 58 VAL HG1% H 1 0.768 0.020 A 58 VAL HG2% H 1 0.768 0.020 A 58 VAL C C 13 170.461 0.3 A 58 VAL CA C 13 59.657 0.3 A 58 VAL CB C 13 35.926 0.3 A 58 VAL CG1 C 13 21.060 0.3 A 58 VAL CG2 C 13 20.890 0.3 A 58 VAL N N 15 121.327 0.3 A 59 GLU H H 1 9.145 0.020 A 59 GLU HA H 1 4.842 0.020 A 59 GLU HB2 H 1 1.732 0.020 A 59 GLU HB3 H 1 1.732 0.020 A 59 GLU HG2 H 1 1.795 0.020 A 59 GLU HG3 H 1 1.795 0.020 A 59 GLU C C 13 172.214 0.3 A 59 GLU CA C 13 54.804 0.3 A 59 GLU CB C 13 30.176 0.3 A 59 GLU CG C 13 34.305 0.3 A 59 GLU N N 15 125.850 0.3 A 60 VAL H H 1 9.122 0.020 A 60 VAL HA H 1 4.291 0.020 A 60 VAL HB H 1 1.943 0.020 A 60 VAL HG1% H 1 0.917 0.020 A 60 VAL HG2% H 1 0.917 0.020 A 60 VAL C C 13 172.830 0.3 A 60 VAL CA C 13 61.313 0.3 A 60 VAL CB C 13 33.835 0.3 A 60 VAL CG1 C 13 22.051 0.3 A 60 VAL CG2 C 13 22.051 0.3 A 60 VAL N N 15 127.522 0.3 A 61 HIS H H 1 8.702 0.020 A 61 HIS HA H 1 5.717 0.020 A 61 HIS HBx H 1 2.948 0.020 A 61 HIS HBy H 1 3.220 0.020 A 61 HIS HD2 H 1 7.040 0.020 A 61 HIS HE1 H 1 7.039 0.020 A 61 HIS C C 13 171.669 0.3 A 61 HIS CA C 13 55.041 0.3 A 61 HIS CB C 13 30.537 0.3 A 61 HIS CD2 C 13 123.906 0.3 A 61 HIS CE1 C 13 123.906 0.3 A 61 HIS N N 15 124.530 0.3 A 62 LEU H H 1 9.374 0.020 A 62 LEU HA H 1 5.711 0.020 A 62 LEU HBx H 1 1.592 0.020 A 62 LEU HBy H 1 1.926 0.020 A 62 LEU HD1% H 1 0.715 0.020 A 62 LEU HD2% H 1 0.715 0.020 A 62 LEU HG H 1 0.992 0.020 A 62 LEU C C 13 174.583 0.3 A 62 LEU CA C 13 52.629 0.3 A 62 LEU CB C 13 46.654 0.3 A 62 LEU CD1 C 13 26.580 0.3 A 62 LEU CD2 C 13 26.580 0.3 A 62 LEU CG C 13 28.311 0.3 A 62 LEU N N 15 122.147 0.3 A 63 ASP H H 1 8.750 0.020 A 63 ASP HA H 1 4.904 0.020 A 63 ASP HBy H 1 3.408 0.020 A 63 ASP HBx H 1 2.654 0.020 A 63 ASP C C 13 174.583 0.3 A 63 ASP CA C 13 52.596 0.3 A 63 ASP CB C 13 41.940 0.3 A 63 ASP N N 15 121.561 0.3 A 64 ARG H H 1 8.282 0.020 A 64 ARG HA H 1 3.704 0.020 A 64 ARG HBx H 1 1.701 0.020 A 64 ARG HBy H 1 1.791 0.020 A 64 ARG HDx H 1 3.115 0.020 A 64 ARG HDy H 1 3.115 0.020 A 64 ARG HGy H 1 1.535 0.020 A 64 ARG HGx H 1 1.534 0.020 A 64 ARG C C 13 173.399 0.3 A 64 ARG CA C 13 58.043 0.3 A 64 ARG CB C 13 29.684 0.3 A 64 ARG CD C 13 43.362 0.3 A 64 ARG CG C 13 26.780 0.3 A 64 ARG N N 15 114.335 0.3 A 65 ASP H H 1 7.968 0.020 A 65 ASP HA H 1 4.768 0.020 A 65 ASP HBx H 1 2.531 0.020 A 65 ASP HBy H 1 2.925 0.020 A 65 ASP C C 13 172.451 0.3 A 65 ASP CA C 13 54.750 0.3 A 65 ASP CB C 13 41.196 0.3 A 65 ASP N N 15 119.080 0.3 A 66 PHE H H 1 7.959 0.020 A 66 PHE HA H 1 3.654 0.020 A 66 PHE HBx H 1 2.948 0.020 A 66 PHE HBy H 1 3.325 0.020 A 66 PHE HD1 H 1 6.667 0.020 A 66 PHE HD2 H 1 6.667 0.020 A 66 PHE HEx H 1 6.660 0.020 A 66 PHE HEy H 1 6.935 0.020 A 66 PHE HZ H 1 6.333 0.020 A 66 PHE C C 13 171.077 0.3 A 66 PHE CA C 13 60.490 0.3 A 66 PHE CB C 13 34.613 0.3 A 66 PHE CD1 C 13 118.128 0.3 A 66 PHE CD2 C 13 118.128 0.3 A 66 PHE CE1 C 13 135.339 0.3 A 66 PHE CE2 C 13 137.131 0.3 A 66 PHE CZ C 13 118.085 0.3 A 66 PHE N N 15 112.809 0.3 A 67 ARG H H 1 8.377 0.020 A 67 ARG HA H 1 4.433 0.020 A 67 ARG HBx H 1 1.736 0.020 A 67 ARG HBy H 1 1.880 0.020 A 67 ARG HD2 H 1 3.230 0.020 A 67 ARG HD3 H 1 3.230 0.020 A 67 ARG HG2 H 1 1.531 0.020 A 67 ARG HG3 H 1 1.531 0.020 A 67 ARG C C 13 174.583 0.3 A 67 ARG CA C 13 55.337 0.3 A 67 ARG CB C 13 30.446 0.3 A 67 ARG CD C 13 43.496 0.3 A 67 ARG CG C 13 27.712 0.3 A 67 ARG N N 15 119.143 0.3 A 68 VAL H H 1 8.567 0.020 A 68 VAL HA H 1 3.896 0.020 A 68 VAL HB H 1 1.968 0.020 A 68 VAL HG1% H 1 0.853 0.020 A 68 VAL HG2% H 1 0.868 0.020 A 68 VAL C C 13 174.204 0.3 A 68 VAL CA C 13 63.963 0.3 A 68 VAL CB C 13 31.977 0.3 A 68 VAL CG1 C 13 22.518 0.3 A 68 VAL CG2 C 13 21.252 0.3 A 68 VAL N N 15 123.146 0.3 A 69 LEU H H 1 9.209 0.020 A 69 LEU HA H 1 4.423 0.020 A 69 LEU HBx H 1 1.546 0.020 A 69 LEU HBy H 1 1.546 0.020 A 69 LEU HD1% H 1 0.820 0.020 A 69 LEU HD2% H 1 0.837 0.020 A 69 LEU HG H 1 0.727 0.020 A 69 LEU C C 13 174.204 0.3 A 69 LEU CA C 13 55.394 0.3 A 69 LEU CB C 13 43.348 0.3 A 69 LEU CD1 C 13 22.518 0.3 A 69 LEU CD2 C 13 22.518 0.3 A 69 LEU CG C 13 25.847 0.3 A 69 LEU N N 15 129.489 0.3 A 70 ASP H H 1 7.819 0.020 A 70 ASP HA H 1 4.741 0.020 A 70 ASP HBx H 1 2.763 0.020 A 70 ASP HBy H 1 2.833 0.020 A 70 ASP C C 13 171.883 0.3 A 70 ASP CA C 13 53.802 0.3 A 70 ASP CB C 13 42.525 0.3 A 70 ASP N N 15 115.427 0.3 A 71 THR H H 1 8.211 0.020 A 71 THR HA H 1 4.976 0.020 A 71 THR HB H 1 3.966 0.020 A 71 THR HG2% H 1 1.095 0.020 A 71 THR C C 13 171.077 0.3 A 71 THR CA C 13 60.439 0.3 A 71 THR CB C 13 70.741 0.3 A 71 THR CG2 C 13 22.112 0.3 A 71 THR N N 15 111.341 0.3 A 72 GLU H H 1 8.742 0.020 A 72 GLU HA H 1 4.970 0.020 A 72 GLU HBy H 1 1.973 0.020 A 72 GLU HBx H 1 1.971 0.020 A 72 GLU HG2 H 1 2.306 0.020 A 72 GLU HG3 H 1 2.306 0.020 A 72 GLU C C 13 170.674 0.3 A 72 GLU CA C 13 53.416 0.3 A 72 GLU CB C 13 31.666 0.3 A 72 GLU CG C 13 35.463 0.3 A 72 GLU N N 15 122.766 0.3 A 73 PRO HA H 1 4.511 0.020 A 73 PRO HB2 H 1 2.426 0.020 A 73 PRO HB3 H 1 2.426 0.020 A 73 PRO HDx H 1 3.774 0.020 A 73 PRO HDy H 1 3.870 0.020 A 73 PRO HGx H 1 1.995 0.020 A 73 PRO HGy H 1 2.153 0.020 A 73 PRO C C 13 174.228 0.3 A 73 PRO CA C 13 63.523 0.3 A 73 PRO CB C 13 32.110 0.3 A 73 PRO CD C 13 50.703 0.3 A 73 PRO CG C 13 27.705 0.3 A 74 ALA H H 1 8.222 0.020 A 74 ALA HA H 1 4.516 0.020 A 74 ALA HB% H 1 1.230 0.020 A 74 ALA C C 13 174.394 0.3 A 74 ALA CA C 13 51.563 0.3 A 74 ALA CB C 13 19.854 0.3 A 74 ALA N N 15 125.873 0.3 A 75 ASP H H 1 8.279 0.020 A 75 ASP HA H 1 4.653 0.020 A 75 ASP HBx H 1 2.665 0.020 A 75 ASP HBy H 1 2.705 0.020 A 75 ASP C C 13 174.204 0.3 A 75 ASP CA C 13 54.499 0.3 A 75 ASP CB C 13 41.711 0.3 A 75 ASP N N 15 119.332 0.3 A 76 GLY H H 1 8.347 0.020 A 76 GLY HA2 H 1 3.978 0.020 A 76 GLY HA3 H 1 3.978 0.020 A 76 GLY C C 13 171.456 0.3 A 76 GLY CA C 13 45.365 0.3 A 76 GLY N N 15 109.082 0.3 A 77 ASP H H 1 8.316 0.020 A 77 ASP HA H 1 4.653 0.020 A 77 ASP HBx H 1 2.645 0.020 A 77 ASP HBy H 1 2.706 0.020 A 77 ASP C C 13 174.560 0.3 A 77 ASP CA C 13 54.399 0.3 A 77 ASP CB C 13 41.596 0.3 A 77 ASP N N 15 120.352 0.3 A 78 GLY H H 1 8.473 0.020 A 78 GLY HA2 H 1 3.959 0.020 A 78 GLY HA3 H 1 3.959 0.020 A 78 GLY C C 13 172.427 0.3 A 78 GLY CA C 13 45.664 0.3 A 78 GLY N N 15 109.638 0.3 A 79 GLY H H 1 8.380 0.020 A 79 GLY HAy H 1 3.958 0.020 A 79 GLY HAx H 1 3.957 0.020 A 79 GLY C C 13 171.646 0.3 A 79 GLY CA C 13 45.046 0.3 A 79 GLY N N 15 108.935 0.3 A 80 LEU H H 1 8.127 0.020 A 80 LEU HA H 1 4.381 0.020 A 80 LEU HBx H 1 1.623 0.020 A 80 LEU HBy H 1 1.628 0.020 A 80 LEU HD1% H 1 0.923 0.020 A 80 LEU HD2% H 1 0.861 0.020 A 80 LEU HG H 1 1.623 0.020 A 80 LEU C C 13 174.204 0.3 A 80 LEU CA C 13 55.185 0.3 A 80 LEU CB C 13 42.549 0.3 A 80 LEU CD1 C 13 24.889 0.3 A 80 LEU CD2 C 13 23.290 0.3 A 80 LEU CG C 13 27.175 0.3 A 80 LEU N N 15 121.761 0.3 A 81 GLU H H 1 7.926 0.020 A 81 GLU HA H 1 4.098 0.020 A 81 GLU HBx H 1 1.881 0.020 A 81 GLU HBy H 1 2.026 0.020 A 81 GLU CA C 13 58.077 0.3 A 81 GLU CB C 13 31.283 0.3 A 81 GLU N N 15 126.247 0.3 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 2 ALA HB% A 3 MET H 1.0 . 4.25 2 2 A 3 MET H A 3 MET HGx 1.0 . 5.50 3 3 A 3 MET H A 3 MET HGy 1.0 . 5.38 4 4 A 3 MET H A 3 MET HBx 1.0 . 3.57 5 4 A 3 MET H A 3 MET HBy 1.0 . 3.57 6 5 A 3 MET HGy A 3 MET HA 1.0 . 4.17 7 6 A 3 MET HA A 4 ALA H 1.0 . 3.45 8 7 A 3 MET HA A 5 PHE HD1 1.0 . 4.00 9 8 A 3 MET HA A 5 PHE HEx 1.0 . 3.86 10 9 A 3 MET HGx A 4 ALA H 1.0 . 5.50 11 10 A 3 MET HGx A 5 PHE HBx 1.0 . 5.50 12 11 A 3 MET HGx A 5 PHE HEx 1.0 . 4.15 13 12 A 3 MET HGy A 4 ALA H 1.0 . 3.82 14 13 A 3 MET HGy A 5 PHE H 1.0 . 5.50 15 14 A 3 MET HGy A 5 PHE HZ 1.0 . 4.99 16 15 A 3 MET HGy A 3 MET HBx 1.0 . 2.31 17 15 A 3 MET HGy A 3 MET HBy 1.0 . 2.31 18 16 A 4 ALA H A 3 MET HBx 1.0 . 4.41 19 16 A 3 MET HBy A 4 ALA H 1.0 . 4.41 20 17 A 4 ALA HB% A 3 MET HBx 1.0 . 4.65 21 17 A 3 MET HBy A 4 ALA HB% 1.0 . 4.65 22 18 A 5 PHE H A 3 MET HBx 1.0 . 4.52 23 18 A 3 MET HBy A 5 PHE H 1.0 . 4.52 24 19 A 5 PHE HBx A 3 MET HBx 1.0 . 4.50 25 19 A 3 MET HBy A 5 PHE HBx 1.0 . 4.50 26 20 A 5 PHE HBy A 3 MET HBx 1.0 . 5.34 27 20 A 3 MET HBy A 5 PHE HBy 1.0 . 5.34 28 21 A 5 PHE HEx A 3 MET HBx 1.0 . 4.64 29 21 A 3 MET HBy A 5 PHE HEx 1.0 . 4.64 30 22 A 4 ALA H A 4 ALA HB% 1.0 . 2.58 31 23 A 4 ALA H A 5 PHE HD1 1.0 . 5.50 32 24 A 4 ALA H A 5 PHE HEx 1.0 . 5.50 33 25 A 4 ALA H A 5 PHE HZ 1.0 . 5.50 34 26 A 5 PHE H A 4 ALA HA 1.0 . 2.82 35 27 A 4 ALA HA A 6 ASP H 1.0 . 5.50 36 28 A 5 PHE H A 4 ALA HB% 1.0 . 3.58 37 29 A 5 PHE HBx A 4 ALA HB% 1.0 . 5.50 38 30 A 4 ALA HB% A 6 ASP H 1.0 . 5.50 39 31 A 5 PHE H A 5 PHE HBy 1.0 . 4.07 40 32 A 5 PHE HD1 A 5 PHE H 1.0 . 5.50 41 33 A 5 PHE HEx A 5 PHE H 1.0 . 5.50 42 34 A 5 PHE H A 66 PHE HD1 1.0 . 5.50 43 35 A 5 PHE H A 66 PHE HEx 1.0 . 5.50 44 36 A 5 PHE HD1 A 5 PHE HA 1.0 . 5.50 45 37 A 5 PHE HA A 5 PHE HD2 1.0 . 5.50 46 38 A 5 PHE HA A 5 PHE HEy 1.0 . 5.50 47 39 A 66 PHE HD1 A 5 PHE HA 1.0 . 5.50 48 40 A 66 PHE HEx A 5 PHE HA 1.0 . 5.50 49 41 A 5 PHE HA A 6 ASP HBx 1.0 . 5.50 50 42 A 5 PHE HA A 6 ASP HBy 1.0 . 5.50 51 43 A 5 PHE HA A 6 ASP HBy 1.0 . 4.77 52 43 A 5 PHE HA A 6 ASP HBx 1.0 . 4.77 53 44 A 5 PHE HBx A 5 PHE HEy 1.0 . 5.40 54 45 A 5 PHE HBx A 66 PHE HD1 1.0 . 5.50 55 46 A 5 PHE HBx A 66 PHE HEx 1.0 . 5.50 56 47 A 5 PHE HBx A 6 ASP H 1.0 . 4.51 57 48 A 5 PHE HBx A 6 ASP HBy 1.0 . 4.37 58 48 A 5 PHE HBx A 6 ASP HBx 1.0 . 4.37 59 49 A 5 PHE HBy A 5 PHE HEy 1.0 . 4.65 60 50 A 5 PHE HBy A 66 PHE HD1 1.0 . 5.50 61 51 A 5 PHE HBy A 66 PHE HEx 1.0 . 4.68 62 52 A 5 PHE HBy A 6 ASP H 1.0 . 4.67 63 53 A 5 PHE HBy A 6 ASP HBy 1.0 . 5.12 64 53 A 5 PHE HBy A 6 ASP HBx 1.0 . 5.12 65 54 A 5 PHE HD2 A 15 ASP HB3 1.0 . 4.92 66 54 A 5 PHE HD2 A 15 ASP HB2 1.0 . 4.92 67 55 A 5 PHE HD2 A 18 ARG HBy 1.0 . 5.24 68 56 A 5 PHE HD2 A 18 ARG HBx 1.0 . 5.50 69 57 A 5 PHE HD2 A 46 TYR HEy 1.0 . 4.82 70 58 A 5 PHE HD2 A 66 PHE HZ 1.0 . 5.50 71 59 A 5 PHE HEx A 65 ASP HA 1.0 . 4.48 72 60 A 5 PHE HEx A 65 ASP HBx 1.0 . 5.50 73 61 A 5 PHE HEx A 65 ASP HBy 1.0 . 4.69 74 62 A 5 PHE HEx A 66 PHE H 1.0 . 4.60 75 63 A 5 PHE HEx A 66 PHE HA 1.0 . 5.50 76 64 A 5 PHE HEx A 66 PHE HBx 1.0 . 3.08 77 65 A 5 PHE HEx A 66 PHE HBy 1.0 . 4.69 78 66 A 5 PHE HEy A 65 ASP HA 1.0 . 4.43 79 67 A 5 PHE HEy A 66 PHE H 1.0 . 3.91 80 68 A 6 ASP H A 6 ASP HBy 1.0 . 3.67 81 68 A 6 ASP H A 6 ASP HBx 1.0 . 3.67 82 69 A 6 ASP H A 7 GLY H 1.0 . 3.61 83 70 A 6 ASP H A 7 GLY HAx 1.0 . 5.50 84 71 A 6 ASP H A 7 GLY HAy 1.0 . 5.50 85 72 A 6 ASP HA A 6 ASP HBy 1.0 . 2.61 86 72 A 6 ASP HBx A 6 ASP HA 1.0 . 2.61 87 73 A 7 GLY H A 6 ASP HA 1.0 . 3.48 88 74 A 6 ASP HBx A 7 GLY H 1.0 . 5.50 89 75 A 7 GLY H A 6 ASP HBy 1.0 . 5.50 90 76 A 18 ARG HBy A 7 GLY H 1.0 . 5.50 91 77 A 18 ARG HBx A 7 GLY H 1.0 . 5.50 92 78 A 8 GLU H A 7 GLY HAx 1.0 . 3.03 93 79 A 8 GLU H A 7 GLY HAy 1.0 . 3.03 94 80 A 8 GLU H A 7 GLY HAy 1.0 . 2.42 95 80 A 8 GLU H A 7 GLY HAx 1.0 . 2.42 96 81 A 8 GLU H A 8 GLU HG2 1.0 . 5.46 97 82 A 8 GLU H A 8 GLU HG3 1.0 . 5.46 98 83 A 8 GLU H A 8 GLU HBy 1.0 . 3.62 99 83 A 8 GLU H A 8 GLU HBx 1.0 . 3.62 100 84 A 8 GLU H A 8 GLU HG2 1.0 . 4.61 101 84 A 8 GLU H A 8 GLU HG3 1.0 . 4.61 102 85 A 8 GLU HA A 9 ASP H 1.0 . 3.00 103 86 A 8 GLU HBx A 9 ASP H 1.0 . 5.04 104 87 A 9 ASP H A 8 GLU HBy 1.0 . 5.04 105 88 A 9 ASP H A 8 GLU HG2 1.0 . 5.50 106 89 A 8 GLU HG3 A 9 ASP H 1.0 . 5.50 107 90 A 9 ASP H A 8 GLU HBy 1.0 . 4.37 108 90 A 8 GLU HBx A 9 ASP H 1.0 . 4.37 109 91 A 9 ASP H A 10 GLU H 1.0 . 4.13 110 92 A 9 ASP H A 9 ASP HBx 1.0 . 3.35 111 93 A 9 ASP H A 9 ASP HBy 1.0 . 3.86 112 94 A 10 GLU H A 9 ASP HA 1.0 . 3.27 113 95 A 9 ASP HBx A 9 ASP HA 1.0 . 2.99 114 96 A 10 GLU H A 9 ASP HBx 1.0 . 4.58 115 97 A 9 ASP HBx A 11 VAL H 1.0 . 5.48 116 98 A 10 GLU H A 9 ASP HBy 1.0 . 4.17 117 99 A 9 ASP HBy A 11 VAL H 1.0 . 5.12 118 100 A 9 ASP HBy A 11 VAL HG2% 1.0 . 4.59 119 101 A 10 GLU H A 10 GLU HBx 1.0 . 3.76 120 102 A 10 GLU H A 10 GLU HBy 1.0 . 3.76 121 103 A 10 GLU H A 10 GLU HGx 1.0 . 2.84 122 103 A 10 GLU H A 10 GLU HGy 1.0 . 2.84 123 104 A 10 GLU HA A 10 GLU HGx 1.0 . 4.17 124 105 A 10 GLU HGy A 10 GLU HA 1.0 . 4.17 125 106 A 10 GLU HA A 10 GLU HGx 1.0 . 3.48 126 106 A 10 GLU HGy A 10 GLU HA 1.0 . 3.48 127 107 A 11 VAL H A 10 GLU HA 1.0 . 2.93 128 108 A 11 VAL HG2% A 10 GLU HA 1.0 . 4.80 129 109 A 10 GLU HBx A 10 GLU HGx 1.0 . 2.28 130 109 A 10 GLU HBy A 10 GLU HGx 1.0 . 2.28 131 109 A 10 GLU HGy A 10 GLU HBy 1.0 . 2.28 132 109 A 10 GLU HGy A 10 GLU HBx 1.0 . 2.28 133 110 A 11 VAL HG2% A 10 GLU HBy 1.0 . 4.73 134 110 A 11 VAL HG2% A 10 GLU HBx 1.0 . 4.73 135 111 A 11 VAL H A 10 GLU HGx 1.0 . 4.75 136 111 A 11 VAL H A 10 GLU HGy 1.0 . 4.75 137 112 A 11 VAL H A 11 VAL HG1% 1.0 . 5.50 138 113 A 11 VAL H A 11 VAL HG2% 1.0 . 3.46 139 114 A 11 VAL HG1% A 11 VAL HA 1.0 . 3.20 140 115 A 11 VAL HG2% A 11 VAL HA 1.0 . 3.46 141 116 A 11 VAL HA A 12 THR H 1.0 . 2.67 142 117 A 11 VAL HA A 12 THR HG2% 1.0 . 3.88 143 118 A 12 THR H A 11 VAL HB 1.0 . 4.12 144 119 A 11 VAL HG1% A 12 THR H 1.0 . 3.23 145 120 A 11 VAL HG2% A 12 THR H 1.0 . 5.50 146 121 A 12 THR H A 12 THR HB 1.0 . 3.73 147 122 A 12 THR H A 12 THR HG2% 1.0 . 3.52 148 123 A 12 THR H A 13 GLY H 1.0 . 5.50 149 124 A 12 THR HB A 12 THR HA 1.0 . 2.51 150 125 A 12 THR HG2% A 12 THR HA 1.0 . 3.24 151 126 A 13 GLY H A 12 THR HA 1.0 . 3.17 152 127 A 12 THR HB A 13 GLY H 1.0 . 5.14 153 128 A 12 THR HG2% A 13 GLY H 1.0 . 4.27 154 129 A 13 GLY H A 14 PRO HDy 1.0 . 5.02 155 130 A 13 GLY H A 14 PRO HDx 1.0 . 5.02 156 131 A 13 GLY H A 16 ALA HB% 1.0 . 5.30 157 132 A 13 GLY HAx A 14 PRO HDy 1.0 . 3.00 158 133 A 13 GLY HAx A 14 PRO HDx 1.0 . 3.00 159 134 A 13 GLY HAx A 14 PRO HGy 1.0 . 4.79 160 135 A 13 GLY HAx A 14 PRO HDx 1.0 . 2.40 161 135 A 13 GLY HAx A 14 PRO HDy 1.0 . 2.40 162 136 A 13 GLY HAy A 14 PRO HDx 1.0 . 3.00 163 136 A 14 PRO HDy A 13 GLY HAy 1.0 . 3.00 164 137 A 16 ALA HB% A 13 GLY HAy 1.0 . 4.61 165 138 A 14 PRO HA A 15 ASP H 1.0 . 3.48 166 139 A 14 PRO HA A 16 ALA H 1.0 . 5.50 167 140 A 16 ALA HB% A 14 PRO HA 1.0 . 5.40 168 141 A 14 PRO HA A 17 ASP H 1.0 . 5.50 169 142 A 14 PRO HDy A 15 ASP H 1.0 . 4.57 170 143 A 15 ASP H A 14 PRO HDx 1.0 . 4.57 171 144 A 14 PRO HGy A 16 ALA H 1.0 . 4.55 172 145 A 14 PRO HGy A 17 ASP H 1.0 . 5.36 173 146 A 15 ASP H A 14 PRO HDx 1.0 . 3.99 174 146 A 14 PRO HDy A 15 ASP H 1.0 . 3.99 175 147 A 15 ASP H A 15 ASP HB3 1.0 . 3.39 176 147 A 15 ASP HB2 A 15 ASP H 1.0 . 3.39 177 148 A 15 ASP H A 16 ALA H 1.0 . 3.35 178 149 A 15 ASP H A 17 ASP H 1.0 . 4.79 179 150 A 15 ASP H A 18 ARG HGx 1.0 . 4.95 180 151 A 15 ASP H A 36 GLU HA 1.0 . 5.50 181 152 A 15 ASP H A 37 THR H 1.0 . 5.16 182 153 A 16 ALA H A 15 ASP HA 1.0 . 3.43 183 154 A 15 ASP HA A 16 ALA HA 1.0 . 5.33 184 155 A 17 ASP H A 15 ASP HA 1.0 . 5.50 185 156 A 15 ASP HA A 18 ARG H 1.0 . 3.33 186 157 A 15 ASP HA A 18 ARG HA 1.0 . 5.50 187 158 A 18 ARG HBy A 15 ASP HA 1.0 . 4.63 188 159 A 18 ARG HBx A 15 ASP HA 1.0 . 4.80 189 160 A 15 ASP HA A 18 ARG HDy 1.0 . 3.47 190 160 A 15 ASP HA A 18 ARG HDx 1.0 . 3.47 191 161 A 15 ASP HA A 19 ALA H 1.0 . 4.70 192 162 A 15 ASP HA A 19 ALA HB% 1.0 . 4.55 193 163 A 15 ASP HB2 A 18 ARG H 1.0 . 5.50 194 164 A 15 ASP HB2 A 19 ALA HB% 1.0 . 5.50 195 165 A 15 ASP HB2 A 46 TYR HEy 1.0 . 4.74 196 166 A 18 ARG H A 15 ASP HB3 1.0 . 5.50 197 167 A 19 ALA HB% A 15 ASP HB3 1.0 . 5.50 198 168 A 46 TYR HEy A 15 ASP HB3 1.0 . 4.74 199 169 A 16 ALA H A 15 ASP HB3 1.0 . 4.43 200 169 A 15 ASP HB2 A 16 ALA H 1.0 . 4.43 201 170 A 18 ARG HBy A 15 ASP HB3 1.0 . 4.76 202 170 A 15 ASP HB2 A 18 ARG HBy 1.0 . 4.76 203 171 A 18 ARG HGx A 15 ASP HB3 1.0 . 5.34 204 171 A 15 ASP HB2 A 18 ARG HGx 1.0 . 5.34 205 172 A 18 ARG HGy A 15 ASP HB3 1.0 . 3.82 206 172 A 15 ASP HB2 A 18 ARG HGy 1.0 . 3.82 207 173 A 19 ALA H A 15 ASP HB3 1.0 . 5.34 208 173 A 15 ASP HB2 A 19 ALA H 1.0 . 5.34 209 174 A 15 ASP HB2 A 35 VAL HG2% 1.0 . 4.85 210 174 A 15 ASP HB3 A 35 VAL HG2% 1.0 . 4.85 211 174 A 35 VAL HG1% A 15 ASP HB3 1.0 . 4.85 212 174 A 15 ASP HB2 A 35 VAL HG1% 1.0 . 4.85 213 175 A 37 THR H A 15 ASP HB3 1.0 . 5.34 214 175 A 15 ASP HB2 A 37 THR H 1.0 . 5.34 215 176 A 46 TYR HEy A 15 ASP HB3 1.0 . 4.05 216 176 A 15 ASP HB2 A 46 TYR HEy 1.0 . 4.05 217 177 A 66 PHE HEx A 15 ASP HB3 1.0 . 3.33 218 177 A 66 PHE HEx A 15 ASP HB2 1.0 . 3.33 219 178 A 66 PHE HZ A 15 ASP HB3 1.0 . 4.61 220 178 A 15 ASP HB2 A 66 PHE HZ 1.0 . 4.61 221 179 A 16 ALA HB% A 16 ALA H 1.0 . 3.01 222 180 A 16 ALA H A 17 ASP H 1.0 . 3.27 223 181 A 16 ALA H A 17 ASP HBx 1.0 . 4.80 224 182 A 16 ALA H A 17 ASP HBy 1.0 . 5.50 225 183 A 16 ALA H A 18 ARG H 1.0 . 4.75 226 184 A 16 ALA H A 18 ARG HGx 1.0 . 4.78 227 185 A 16 ALA H A 19 ALA HB% 1.0 . 5.33 228 186 A 16 ALA H A 34 GLU HBy 1.0 . 5.34 229 186 A 16 ALA H A 34 GLU HBx 1.0 . 5.34 230 187 A 16 ALA H A 35 VAL HG2% 1.0 . 4.29 231 187 A 16 ALA H A 35 VAL HG1% 1.0 . 4.29 232 188 A 16 ALA HA A 17 ASP HA 1.0 . 4.81 233 189 A 16 ALA HA A 18 ARG H 1.0 . 5.50 234 190 A 16 ALA HA A 19 ALA H 1.0 . 3.89 235 191 A 16 ALA HA A 20 ARG H 1.0 . 4.50 236 192 A 16 ALA HA A 20 ARG HBx 1.0 . 5.45 237 193 A 16 ALA HA A 35 VAL HB 1.0 . 4.32 238 194 A 16 ALA HA A 35 VAL HG2% 1.0 . 4.16 239 194 A 16 ALA HA A 35 VAL HG1% 1.0 . 4.16 240 195 A 16 ALA HB% A 17 ASP H 1.0 . 3.36 241 196 A 16 ALA HB% A 17 ASP HA 1.0 . 4.35 242 197 A 16 ALA HB% A 17 ASP HBx 1.0 . 4.36 243 198 A 16 ALA HB% A 18 ARG H 1.0 . 5.38 244 199 A 16 ALA HB% A 19 ALA H 1.0 . 5.50 245 200 A 16 ALA HB% A 34 GLU HBy 1.0 . 3.31 246 200 A 16 ALA HB% A 34 GLU HBx 1.0 . 3.31 247 201 A 16 ALA HB% A 35 VAL H 1.0 . 4.81 248 202 A 17 ASP H A 17 ASP HBx 1.0 . 3.55 249 203 A 17 ASP H A 17 ASP HBy 1.0 . 3.25 250 204 A 17 ASP H A 18 ARG H 1.0 . 3.56 251 205 A 17 ASP H A 20 ARG H 1.0 . 5.30 252 206 A 17 ASP HBx A 17 ASP HA 1.0 . 2.83 253 207 A 18 ARG H A 17 ASP HA 1.0 . 3.51 254 208 A 18 ARG HA A 17 ASP HA 1.0 . 5.17 255 209 A 19 ALA H A 17 ASP HA 1.0 . 5.15 256 210 A 17 ASP HA A 20 ARG H 1.0 . 4.04 257 211 A 17 ASP HA A 20 ARG HBy 1.0 . 3.17 258 212 A 17 ASP HA A 20 ARG HD3 1.0 . 3.87 259 212 A 17 ASP HA A 20 ARG HD2 1.0 . 3.87 260 213 A 17 ASP HA A 21 ALA H 1.0 . 4.46 261 214 A 17 ASP HA A 21 ALA HB% 1.0 . 4.68 262 215 A 18 ARG H A 17 ASP HBx 1.0 . 5.50 263 216 A 18 ARG H A 17 ASP HBy 1.0 . 2.72 264 217 A 17 ASP HBy A 21 ALA H 1.0 . 5.48 265 218 A 18 ARG HBy A 18 ARG H 1.0 . 3.73 266 219 A 18 ARG HBx A 18 ARG H 1.0 . 3.51 267 220 A 18 ARG HGx A 18 ARG H 1.0 . 3.81 268 221 A 18 ARG H A 18 ARG HGy 1.0 . 3.46 269 222 A 18 ARG H A 18 ARG HDy 1.0 . 2.68 270 222 A 18 ARG H A 18 ARG HDx 1.0 . 2.68 271 223 A 18 ARG H A 19 ALA H 1.0 . 3.08 272 224 A 18 ARG H A 19 ALA HA 1.0 . 5.50 273 225 A 18 ARG H A 19 ALA HB% 1.0 . 4.95 274 226 A 18 ARG H A 20 ARG H 1.0 . 4.95 275 227 A 18 ARG HA A 18 ARG HDx 1.0 . 4.75 276 228 A 18 ARG HA A 18 ARG HDy 1.0 . 4.75 277 229 A 18 ARG HGx A 18 ARG HA 1.0 . 3.67 278 230 A 18 ARG HA A 18 ARG HDy 1.0 . 3.96 279 230 A 18 ARG HA A 18 ARG HDx 1.0 . 3.96 280 231 A 18 ARG HA A 21 ALA H 1.0 . 4.34 281 232 A 18 ARG HA A 21 ALA HB% 1.0 . 3.11 282 233 A 66 PHE HZ A 18 ARG HA 1.0 . 5.50 283 234 A 18 ARG HBy A 18 ARG HDx 1.0 . 4.13 284 235 A 18 ARG HBy A 18 ARG HDy 1.0 . 4.13 285 236 A 18 ARG HBy A 18 ARG HDy 1.0 . 3.56 286 236 A 18 ARG HBy A 18 ARG HDx 1.0 . 3.56 287 237 A 18 ARG HBy A 19 ALA H 1.0 . 3.76 288 238 A 66 PHE HD1 A 18 ARG HBy 1.0 . 4.81 289 239 A 66 PHE HEx A 18 ARG HBy 1.0 . 4.35 290 240 A 18 ARG HBx A 18 ARG HDx 1.0 . 3.66 291 241 A 18 ARG HBx A 18 ARG HDy 1.0 . 3.66 292 242 A 18 ARG HBx A 19 ALA H 1.0 . 5.50 293 243 A 66 PHE HD1 A 18 ARG HBx 1.0 . 5.50 294 244 A 66 PHE HEx A 18 ARG HBx 1.0 . 4.46 295 245 A 66 PHE HEx A 18 ARG HDx 1.0 . 5.01 296 246 A 66 PHE HEx A 18 ARG HDy 1.0 . 5.01 297 247 A 18 ARG HGx A 19 ALA HA 1.0 . 4.63 298 248 A 18 ARG HGx A 20 ARG H 1.0 . 5.50 299 249 A 19 ALA H A 18 ARG HGy 1.0 . 3.91 300 250 A 19 ALA H A 18 ARG HDy 1.0 . 5.34 301 250 A 18 ARG HDx A 19 ALA H 1.0 . 5.34 302 251 A 66 PHE HEx A 18 ARG HDy 1.0 . 4.38 303 251 A 66 PHE HEx A 18 ARG HDx 1.0 . 4.38 304 252 A 19 ALA H A 19 ALA HB% 1.0 . 3.12 305 253 A 19 ALA H A 20 ARG H 1.0 . 3.30 306 254 A 19 ALA H A 21 ALA H 1.0 . 4.21 307 255 A 19 ALA H A 21 ALA HB% 1.0 . 5.50 308 256 A 66 PHE HEx A 19 ALA H 1.0 . 4.91 309 257 A 21 ALA H A 19 ALA HA 1.0 . 4.79 310 258 A 19 ALA HA A 22 ALA H 1.0 . 4.03 311 259 A 19 ALA HA A 66 PHE HEy 1.0 . 3.29 312 260 A 19 ALA HB% A 20 ARG H 1.0 . 2.49 313 261 A 19 ALA HB% A 21 ALA H 1.0 . 5.28 314 262 A 19 ALA HB% A 22 ALA H 1.0 . 4.92 315 263 A 19 ALA HB% A 35 VAL H 1.0 . 4.11 316 264 A 19 ALA HB% A 35 VAL HG2% 1.0 . 2.55 317 264 A 19 ALA HB% A 35 VAL HG1% 1.0 . 2.55 318 265 A 19 ALA HB% A 47 GLY H 1.0 . 4.70 319 266 A 19 ALA HB% A 48 VAL HA 1.0 . 4.39 320 267 A 19 ALA HB% A 48 VAL HG2% 1.0 . 2.53 321 267 A 19 ALA HB% A 48 VAL HG1% 1.0 . 2.53 322 268 A 66 PHE HEx A 19 ALA HB% 1.0 . 4.25 323 269 A 19 ALA HB% A 66 PHE HEy 1.0 . 3.11 324 270 A 20 ARG H A 20 ARG HBx 1.0 . 3.45 325 271 A 20 ARG H A 20 ARG HBy 1.0 . 2.82 326 272 A 20 ARG H A 20 ARG HG2 1.0 . 4.85 327 273 A 20 ARG H A 20 ARG HG3 1.0 . 5.24 328 274 A 20 ARG H A 20 ARG HD3 1.0 . 4.59 329 274 A 20 ARG H A 20 ARG HD2 1.0 . 4.59 330 275 A 20 ARG H A 21 ALA H 1.0 . 3.31 331 276 A 20 ARG H A 32 ALA HB% 1.0 . 5.50 332 277 A 20 ARG H A 35 VAL HG2% 1.0 . 4.75 333 277 A 35 VAL HG1% A 20 ARG H 1.0 . 4.75 334 278 A 20 ARG HD2 A 20 ARG HA 1.0 . 5.35 335 279 A 20 ARG HA A 20 ARG HD3 1.0 . 5.35 336 280 A 20 ARG HG2 A 20 ARG HA 1.0 . 3.91 337 281 A 20 ARG HG3 A 20 ARG HA 1.0 . 4.20 338 282 A 20 ARG HA A 20 ARG HD3 1.0 . 4.62 339 282 A 20 ARG HD2 A 20 ARG HA 1.0 . 4.62 340 283 A 22 ALA H A 20 ARG HA 1.0 . 4.81 341 284 A 20 ARG HA A 23 ALA H 1.0 . 4.22 342 285 A 20 ARG HA A 23 ALA HA 1.0 . 5.44 343 286 A 20 ARG HA A 23 ALA HB% 1.0 . 2.88 344 287 A 20 ARG HA A 24 VAL H 1.0 . 4.53 345 288 A 32 ALA HB% A 20 ARG HA 1.0 . 3.27 346 289 A 20 ARG HA A 48 VAL HG2% 1.0 . 3.03 347 289 A 48 VAL HG1% A 20 ARG HA 1.0 . 3.03 348 290 A 20 ARG HA A 49 LEU HD1% 1.0 . 5.50 349 291 A 20 ARG HBx A 20 ARG HD2 1.0 . 3.92 350 292 A 20 ARG HBx A 20 ARG HD3 1.0 . 3.92 351 293 A 20 ARG HBx A 20 ARG HD3 1.0 . 3.41 352 293 A 20 ARG HBx A 20 ARG HD2 1.0 . 3.41 353 294 A 20 ARG HBx A 35 VAL H 1.0 . 3.42 354 295 A 20 ARG HBx A 48 VAL HG2% 1.0 . 4.65 355 295 A 20 ARG HBx A 48 VAL HG1% 1.0 . 4.65 356 296 A 20 ARG HBx A 49 LEU H 1.0 . 4.85 357 297 A 20 ARG HBx A 49 LEU HG 1.0 . 4.60 358 298 A 20 ARG HBx A 49 LEU HD2% 1.0 . 4.29 359 299 A 20 ARG HBy A 20 ARG HD3 1.0 . 3.24 360 299 A 20 ARG HBy A 20 ARG HD2 1.0 . 3.24 361 300 A 20 ARG HBy A 21 ALA H 1.0 . 4.49 362 301 A 20 ARG HBy A 32 ALA HB% 1.0 . 4.22 363 302 A 35 VAL H A 20 ARG HBy 1.0 . 5.50 364 303 A 20 ARG HD2 A 32 ALA HB% 1.0 . 4.57 365 304 A 32 ALA HB% A 20 ARG HD3 1.0 . 4.57 366 305 A 20 ARG HG2 A 32 ALA HB% 1.0 . 2.52 367 306 A 20 ARG HG2 A 48 VAL HG2% 1.0 . 5.44 368 306 A 48 VAL HG1% A 20 ARG HG2 1.0 . 5.44 369 307 A 20 ARG HG3 A 32 ALA HB% 1.0 . 2.79 370 308 A 20 ARG HG3 A 33 GLY H 1.0 . 2.85 371 309 A 20 ARG HG3 A 33 GLY HAy 1.0 . 4.57 372 309 A 20 ARG HG3 A 33 GLY HAx 1.0 . 4.57 373 310 A 20 ARG HG3 A 34 GLU H 1.0 . 4.62 374 311 A 35 VAL H A 20 ARG HG3 1.0 . 5.50 375 312 A 20 ARG HG3 A 48 VAL HG2% 1.0 . 5.44 376 312 A 48 VAL HG1% A 20 ARG HG3 1.0 . 5.44 377 313 A 20 ARG HG3 A 49 LEU H 1.0 . 5.50 378 314 A 20 ARG HG3 A 49 LEU HD2% 1.0 . 4.17 379 315 A 21 ALA H A 20 ARG HD3 1.0 . 5.26 380 315 A 20 ARG HD2 A 21 ALA H 1.0 . 5.26 381 316 A 32 ALA HB% A 20 ARG HD3 1.0 . 3.78 382 316 A 20 ARG HD2 A 32 ALA HB% 1.0 . 3.78 383 317 A 21 ALA H A 21 ALA HB% 1.0 . 2.90 384 318 A 21 ALA H A 22 ALA H 1.0 . 2.90 385 319 A 21 ALA H A 23 ALA H 1.0 . 4.48 386 320 A 21 ALA H A 24 VAL H 1.0 . 5.15 387 321 A 23 ALA H A 21 ALA HA 1.0 . 4.76 388 322 A 24 VAL H A 21 ALA HA 1.0 . 4.07 389 323 A 21 ALA HA A 24 VAL HB 1.0 . 4.03 390 324 A 21 ALA HA A 24 VAL HG2% 1.0 . 3.37 391 324 A 21 ALA HA A 24 VAL HG1% 1.0 . 3.37 392 325 A 21 ALA HA A 25 GLN HE21 1.0 . 5.50 393 326 A 21 ALA HA A 25 GLN HE22 1.0 . 5.50 394 327 A 21 ALA HB% A 22 ALA H 1.0 . 3.31 395 328 A 21 ALA HB% A 22 ALA HA 1.0 . 3.92 396 329 A 22 ALA H A 22 ALA HB% 1.0 . 3.05 397 330 A 22 ALA H A 23 ALA H 1.0 . 3.21 398 331 A 22 ALA H A 24 VAL H 1.0 . 4.69 399 332 A 22 ALA HA A 25 GLN HBy 1.0 . 3.19 400 332 A 22 ALA HA A 25 GLN HBx 1.0 . 3.19 401 333 A 22 ALA HA A 25 GLN HGx 1.0 . 4.60 402 333 A 22 ALA HA A 25 GLN HGy 1.0 . 4.60 403 334 A 23 ALA H A 22 ALA HB% 1.0 . 3.36 404 335 A 23 ALA HA A 22 ALA HB% 1.0 . 4.45 405 336 A 24 VAL H A 22 ALA HB% 1.0 . 5.50 406 337 A 23 ALA H A 23 ALA HB% 1.0 . 2.40 407 338 A 23 ALA H A 24 VAL H 1.0 . 3.33 408 339 A 23 ALA H A 25 GLN H 1.0 . 4.22 409 340 A 23 ALA H A 26 ALA H 1.0 . 4.91 410 341 A 32 ALA HB% A 23 ALA H 1.0 . 5.18 411 342 A 23 ALA H A 48 VAL HG2% 1.0 . 4.14 412 342 A 48 VAL HG1% A 23 ALA H 1.0 . 4.14 413 343 A 23 ALA H A 50 VAL HG1% 1.0 . 5.50 414 344 A 23 ALA H A 50 VAL HG2% 1.0 . 5.50 415 345 A 23 ALA H A 50 VAL HG2% 1.0 . 4.64 416 345 A 23 ALA H A 50 VAL HG1% 1.0 . 4.64 417 346 A 23 ALA HA A 24 VAL HA 1.0 . 5.08 418 347 A 23 ALA HA A 25 GLN H 1.0 . 4.84 419 348 A 23 ALA HA A 26 ALA H 1.0 . 4.03 420 349 A 23 ALA HA A 26 ALA HB% 1.0 . 3.09 421 350 A 23 ALA HA A 27 VAL H 1.0 . 5.39 422 351 A 23 ALA HA A 48 VAL HG2% 1.0 . 2.99 423 351 A 48 VAL HG1% A 23 ALA HA 1.0 . 2.99 424 352 A 23 ALA HA A 50 VAL HB 1.0 . 5.50 425 353 A 23 ALA HA A 50 VAL HG1% 1.0 . 4.63 426 354 A 23 ALA HA A 50 VAL HG2% 1.0 . 4.63 427 355 A 23 ALA HA A 50 VAL HG2% 1.0 . 3.41 428 355 A 23 ALA HA A 50 VAL HG1% 1.0 . 3.41 429 356 A 23 ALA HB% A 24 VAL H 1.0 . 3.76 430 357 A 23 ALA HB% A 24 VAL HG2% 1.0 . 4.04 431 357 A 23 ALA HB% A 24 VAL HG1% 1.0 . 4.04 432 358 A 23 ALA HB% A 33 GLY H 1.0 . 5.50 433 359 A 23 ALA HB% A 48 VAL H 1.0 . 5.50 434 360 A 23 ALA HB% A 48 VAL HB 1.0 . 4.36 435 361 A 48 VAL HG1% A 23 ALA HB% 1.0 . 2.97 436 362 A 23 ALA HB% A 48 VAL HG2% 1.0 . 2.97 437 363 A 23 ALA HB% A 48 VAL HG2% 1.0 . 2.35 438 363 A 48 VAL HG1% A 23 ALA HB% 1.0 . 2.35 439 364 A 23 ALA HB% A 50 VAL HG1% 1.0 . 2.84 440 365 A 23 ALA HB% A 50 VAL HG2% 1.0 . 2.84 441 366 A 23 ALA HB% A 51 THR H 1.0 . 5.50 442 367 A 24 VAL H A 24 VAL HB 1.0 . 3.13 443 368 A 24 VAL H A 24 VAL HG1% 1.0 . 3.83 444 369 A 24 VAL H A 24 VAL HG2% 1.0 . 3.83 445 370 A 24 VAL H A 24 VAL HG2% 1.0 . 3.03 446 370 A 24 VAL H A 24 VAL HG1% 1.0 . 3.03 447 371 A 24 VAL H A 25 GLN H 1.0 . 3.21 448 372 A 24 VAL H A 26 ALA H 1.0 . 4.40 449 373 A 24 VAL H A 26 ALA HB% 1.0 . 5.50 450 374 A 24 VAL H A 27 VAL H 1.0 . 4.96 451 375 A 24 VAL H A 27 VAL HG2% 1.0 . 4.99 452 375 A 24 VAL H A 27 VAL HG1% 1.0 . 4.99 453 376 A 32 ALA HB% A 24 VAL H 1.0 . 4.14 454 377 A 24 VAL H A 50 VAL HG2% 1.0 . 5.43 455 377 A 24 VAL H A 50 VAL HG1% 1.0 . 5.43 456 378 A 24 VAL HG1% A 24 VAL HA 1.0 . 3.20 457 379 A 24 VAL HA A 24 VAL HG2% 1.0 . 3.20 458 380 A 24 VAL HA A 24 VAL HG2% 1.0 . 2.75 459 380 A 24 VAL HG1% A 24 VAL HA 1.0 . 2.75 460 381 A 26 ALA H A 24 VAL HA 1.0 . 4.48 461 382 A 24 VAL HA A 27 VAL H 1.0 . 4.75 462 383 A 24 VAL HA A 27 VAL HB 1.0 . 4.24 463 384 A 24 VAL HA A 27 VAL HG2% 1.0 . 2.84 464 384 A 24 VAL HA A 27 VAL HG1% 1.0 . 2.84 465 385 A 24 VAL HA A 50 VAL HG2% 1.0 . 2.84 466 385 A 50 VAL HG1% A 24 VAL HA 1.0 . 2.84 467 386 A 24 VAL HB A 25 GLN H 1.0 . 5.50 468 387 A 24 VAL HB A 25 GLN HE21 1.0 . 5.50 469 388 A 24 VAL HB A 25 GLN HE22 1.0 . 5.50 470 389 A 24 VAL HG1% A 25 GLN H 1.0 . 4.11 471 390 A 24 VAL HG1% A 32 ALA H 1.0 . 4.78 472 391 A 32 ALA HB% A 24 VAL HG1% 1.0 . 3.80 473 392 A 25 GLN H A 24 VAL HG2% 1.0 . 4.11 474 393 A 32 ALA H A 24 VAL HG2% 1.0 . 4.78 475 394 A 32 ALA HB% A 24 VAL HG2% 1.0 . 3.80 476 395 A 25 GLN H A 24 VAL HG2% 1.0 . 3.54 477 395 A 24 VAL HG1% A 25 GLN H 1.0 . 3.54 478 396 A 25 GLN HA A 24 VAL HG2% 1.0 . 3.85 479 396 A 24 VAL HG1% A 25 GLN HA 1.0 . 3.85 480 397 A 26 ALA H A 24 VAL HG2% 1.0 . 5.06 481 397 A 24 VAL HG1% A 26 ALA H 1.0 . 5.06 482 398 A 24 VAL HG1% A 27 VAL HG2% 1.0 . 3.07 483 398 A 27 VAL HG1% A 24 VAL HG2% 1.0 . 3.07 484 398 A 24 VAL HG1% A 27 VAL HG1% 1.0 . 3.07 485 398 A 24 VAL HG2% A 27 VAL HG2% 1.0 . 3.07 486 399 A 30 GLY H A 24 VAL HG2% 1.0 . 4.22 487 399 A 24 VAL HG1% A 30 GLY H 1.0 . 4.22 488 400 A 24 VAL HG2% A 30 GLY HAy 1.0 . 4.31 489 400 A 24 VAL HG1% A 30 GLY HAy 1.0 . 4.31 490 400 A 30 GLY HAx A 24 VAL HG2% 1.0 . 4.31 491 400 A 24 VAL HG1% A 30 GLY HAx 1.0 . 4.31 492 401 A 31 THR H A 24 VAL HG2% 1.0 . 5.44 493 401 A 24 VAL HG1% A 31 THR H 1.0 . 5.44 494 402 A 32 ALA H A 24 VAL HG2% 1.0 . 4.10 495 402 A 24 VAL HG1% A 32 ALA H 1.0 . 4.10 496 403 A 32 ALA HB% A 24 VAL HG2% 1.0 . 2.94 497 403 A 32 ALA HB% A 24 VAL HG1% 1.0 . 2.94 498 404 A 33 GLY H A 24 VAL HG2% 1.0 . 5.44 499 404 A 33 GLY H A 24 VAL HG1% 1.0 . 5.44 500 405 A 25 GLN HE21 A 25 GLN H 1.0 . 3.72 501 406 A 25 GLN HE22 A 25 GLN H 1.0 . 3.86 502 407 A 25 GLN H A 25 GLN HGx 1.0 . 4.54 503 408 A 25 GLN HGy A 25 GLN H 1.0 . 4.54 504 409 A 25 GLN H A 25 GLN HBy 1.0 . 2.39 505 409 A 25 GLN HBx A 25 GLN H 1.0 . 2.39 506 410 A 25 GLN H A 26 ALA H 1.0 . 2.74 507 411 A 25 GLN HE21 A 25 GLN HA 1.0 . 5.50 508 412 A 25 GLN HE22 A 25 GLN HA 1.0 . 5.50 509 413 A 25 GLN HA A 25 GLN HGx 1.0 . 3.70 510 414 A 25 GLN HGy A 25 GLN HA 1.0 . 3.70 511 415 A 25 GLN HA A 25 GLN HGx 1.0 . 3.13 512 415 A 25 GLN HGy A 25 GLN HA 1.0 . 3.13 513 416 A 27 VAL H A 25 GLN HA 1.0 . 4.42 514 417 A 25 GLN HA A 29 GLY H 1.0 . 5.50 515 418 A 25 GLN HBx A 26 ALA H 1.0 . 4.44 516 419 A 26 ALA H A 25 GLN HBy 1.0 . 4.44 517 420 A 25 GLN HE21 A 25 GLN HBy 1.0 . 2.39 518 420 A 25 GLN HE21 A 25 GLN HBx 1.0 . 2.39 519 421 A 25 GLN HBx A 25 GLN HGx 1.0 . 2.31 520 421 A 25 GLN HBy A 25 GLN HGx 1.0 . 2.31 521 421 A 25 GLN HGy A 25 GLN HBy 1.0 . 2.31 522 421 A 25 GLN HBx A 25 GLN HGy 1.0 . 2.31 523 422 A 26 ALA H A 25 GLN HBy 1.0 . 3.72 524 422 A 25 GLN HBx A 26 ALA H 1.0 . 3.72 525 423 A 26 ALA H A 25 GLN HGx 1.0 . 5.20 526 423 A 25 GLN HGy A 26 ALA H 1.0 . 5.20 527 424 A 26 ALA H A 26 ALA HB% 1.0 . 2.97 528 425 A 26 ALA H A 27 VAL H 1.0 . 2.94 529 426 A 26 ALA H A 50 VAL HG2% 1.0 . 4.01 530 426 A 26 ALA H A 50 VAL HG1% 1.0 . 4.01 531 427 A 26 ALA HB% A 27 VAL H 1.0 . 3.60 532 428 A 26 ALA HB% A 27 VAL HA 1.0 . 4.31 533 429 A 26 ALA HB% A 27 VAL HG2% 1.0 . 5.50 534 429 A 26 ALA HB% A 27 VAL HG1% 1.0 . 5.50 535 430 A 26 ALA HB% A 50 VAL HG2% 1.0 . 3.36 536 430 A 50 VAL HG1% A 26 ALA HB% 1.0 . 3.36 537 431 A 27 VAL H A 27 VAL HB 1.0 . 3.00 538 432 A 27 VAL H A 27 VAL HG2% 1.0 . 3.30 539 432 A 27 VAL H A 27 VAL HG1% 1.0 . 3.30 540 433 A 27 VAL H A 28 PRO HDx 1.0 . 4.84 541 434 A 27 VAL H A 28 PRO HDy 1.0 . 5.18 542 435 A 27 VAL H A 30 GLY H 1.0 . 5.50 543 436 A 27 VAL HB A 27 VAL HA 1.0 . 2.70 544 437 A 27 VAL HA A 27 VAL HG2% 1.0 . 2.39 545 437 A 27 VAL HG1% A 27 VAL HA 1.0 . 2.39 546 438 A 27 VAL HA A 28 PRO HBx 1.0 . 4.85 547 439 A 27 VAL HA A 28 PRO HDx 1.0 . 2.47 548 440 A 27 VAL HA A 28 PRO HDy 1.0 . 2.76 549 441 A 29 GLY H A 27 VAL HA 1.0 . 5.50 550 442 A 27 VAL HA A 52 ARG HDy 1.0 . 3.44 551 442 A 27 VAL HA A 52 ARG HDx 1.0 . 3.44 552 443 A 27 VAL HA A 52 ARG HG3 1.0 . 4.65 553 443 A 27 VAL HA A 52 ARG HG2 1.0 . 4.65 554 444 A 27 VAL HB A 30 GLY H 1.0 . 4.91 555 445 A 27 VAL HB A 30 GLY HAy 1.0 . 5.09 556 445 A 27 VAL HB A 30 GLY HAx 1.0 . 5.09 557 446 A 27 VAL HB A 50 VAL HG2% 1.0 . 2.40 558 446 A 50 VAL HG1% A 27 VAL HB 1.0 . 2.40 559 447 A 51 THR H A 27 VAL HB 1.0 . 5.50 560 448 A 27 VAL HG1% A 31 THR HB 1.0 . 5.05 561 449 A 27 VAL HG1% A 51 THR HB 1.0 . 5.50 562 450 A 51 THR HB A 27 VAL HG2% 1.0 . 5.50 563 451 A 28 PRO HDx A 27 VAL HG2% 1.0 . 3.89 564 451 A 27 VAL HG1% A 28 PRO HDx 1.0 . 3.89 565 452 A 30 GLY H A 27 VAL HG2% 1.0 . 2.40 566 452 A 27 VAL HG1% A 30 GLY H 1.0 . 2.40 567 453 A 27 VAL HG1% A 30 GLY HAy 1.0 . 3.69 568 453 A 27 VAL HG2% A 30 GLY HAy 1.0 . 3.69 569 453 A 30 GLY HAx A 27 VAL HG2% 1.0 . 3.69 570 453 A 27 VAL HG1% A 30 GLY HAx 1.0 . 3.69 571 454 A 31 THR HB A 27 VAL HG2% 1.0 . 4.48 572 454 A 27 VAL HG1% A 31 THR HB 1.0 . 4.48 573 455 A 32 ALA H A 27 VAL HG2% 1.0 . 4.89 574 455 A 27 VAL HG1% A 32 ALA H 1.0 . 4.89 575 456 A 50 VAL HB A 27 VAL HG2% 1.0 . 3.84 576 456 A 50 VAL HB A 27 VAL HG1% 1.0 . 3.84 577 457 A 52 ARG H A 27 VAL HG2% 1.0 . 5.34 578 457 A 27 VAL HG1% A 52 ARG H 1.0 . 5.34 579 458 A 52 ARG HA A 27 VAL HG2% 1.0 . 3.12 580 458 A 27 VAL HG1% A 52 ARG HA 1.0 . 3.12 581 459 A 27 VAL HG2% A 52 ARG HDy 1.0 . 2.71 582 459 A 27 VAL HG1% A 52 ARG HDy 1.0 . 2.71 583 459 A 52 ARG HDx A 27 VAL HG2% 1.0 . 2.71 584 459 A 27 VAL HG1% A 52 ARG HDx 1.0 . 2.71 585 460 A 27 VAL HG1% A 52 ARG HG3 1.0 . 3.02 586 460 A 27 VAL HG2% A 52 ARG HG3 1.0 . 3.02 587 460 A 52 ARG HG2 A 27 VAL HG2% 1.0 . 3.02 588 460 A 27 VAL HG1% A 52 ARG HG2 1.0 . 3.02 589 461 A 27 VAL HG2% A 53 PRO HDy 1.0 . 3.60 590 461 A 27 VAL HG1% A 53 PRO HDy 1.0 . 3.60 591 461 A 53 PRO HDx A 27 VAL HG2% 1.0 . 3.60 592 461 A 27 VAL HG1% A 53 PRO HDx 1.0 . 3.60 593 462 A 29 GLY H A 28 PRO HA 1.0 . 3.05 594 463 A 28 PRO HA A 29 GLY HAx 1.0 . 4.37 595 463 A 28 PRO HA A 29 GLY HAy 1.0 . 4.37 596 464 A 30 GLY H A 28 PRO HA 1.0 . 5.50 597 465 A 28 PRO HBy A 53 PRO HDy 1.0 . 4.66 598 465 A 53 PRO HDx A 28 PRO HBy 1.0 . 4.66 599 466 A 28 PRO HDx A 52 ARG HBy 1.0 . 5.50 600 467 A 28 PRO HDx A 52 ARG HBx 1.0 . 5.50 601 468 A 52 ARG HA A 28 PRO HGx 1.0 . 4.28 602 469 A 28 PRO HGx A 53 PRO HDy 1.0 . 2.49 603 469 A 53 PRO HDx A 28 PRO HGx 1.0 . 2.49 604 470 A 28 PRO HGy A 53 PRO HDy 1.0 . 4.01 605 470 A 53 PRO HDx A 28 PRO HGy 1.0 . 4.01 606 471 A 30 GLY H A 29 GLY H 1.0 . 3.25 607 472 A 30 GLY H A 31 THR H 1.0 . 4.43 608 473 A 30 GLY HAx A 31 THR H 1.0 . 3.47 609 474 A 31 THR H A 30 GLY HAy 1.0 . 3.47 610 475 A 31 THR H A 30 GLY HAy 1.0 . 2.98 611 475 A 30 GLY HAx A 31 THR H 1.0 . 2.98 612 476 A 30 GLY HAy A 50 VAL HG2% 1.0 . 3.90 613 476 A 50 VAL HG1% A 30 GLY HAy 1.0 . 3.90 614 476 A 50 VAL HG1% A 30 GLY HAx 1.0 . 3.90 615 476 A 30 GLY HAx A 50 VAL HG2% 1.0 . 3.90 616 477 A 31 THR H A 31 THR HB 1.0 . 3.22 617 478 A 31 THR H A 31 THR HG2% 1.0 . 4.09 618 479 A 32 ALA H A 31 THR H 1.0 . 4.68 619 480 A 31 THR H A 50 VAL HG2% 1.0 . 3.69 620 480 A 50 VAL HG1% A 31 THR H 1.0 . 3.69 621 481 A 51 THR H A 31 THR H 1.0 . 4.21 622 482 A 31 THR H A 51 THR HB 1.0 . 5.50 623 483 A 31 THR HG2% A 31 THR HA 1.0 . 3.37 624 484 A 32 ALA H A 31 THR HA 1.0 . 2.92 625 485 A 32 ALA H A 31 THR HB 1.0 . 4.39 626 486 A 51 THR H A 31 THR HB 1.0 . 5.50 627 487 A 32 ALA H A 31 THR HG2% 1.0 . 4.24 628 488 A 32 ALA HB% A 32 ALA H 1.0 . 3.52 629 489 A 33 GLY H A 32 ALA H 1.0 . 4.71 630 490 A 32 ALA H A 50 VAL HG2% 1.0 . 5.40 631 490 A 50 VAL HG1% A 32 ALA H 1.0 . 5.40 632 491 A 33 GLY H A 32 ALA HA 1.0 . 3.06 633 492 A 32 ALA HA A 49 LEU HD2% 1.0 . 4.98 634 492 A 32 ALA HA A 49 LEU HD1% 1.0 . 4.98 635 493 A 32 ALA HA A 50 VAL HG2% 1.0 . 5.40 636 493 A 50 VAL HG1% A 32 ALA HA 1.0 . 5.40 637 494 A 32 ALA HB% A 33 GLY H 1.0 . 3.75 638 495 A 32 ALA HB% A 49 LEU HG 1.0 . 4.53 639 496 A 32 ALA HB% A 50 VAL HG2% 1.0 . 2.64 640 496 A 32 ALA HB% A 50 VAL HG1% 1.0 . 2.64 641 497 A 33 GLY H A 34 GLU H 1.0 . 4.60 642 498 A 33 GLY H A 48 VAL HG2% 1.0 . 5.06 643 498 A 48 VAL HG1% A 33 GLY H 1.0 . 5.06 644 499 A 49 LEU H A 33 GLY H 1.0 . 5.23 645 500 A 49 LEU H A 33 GLY H 1.0 . 5.23 646 501 A 33 GLY H A 49 LEU HBx 1.0 . 5.34 647 501 A 33 GLY H A 49 LEU HBy 1.0 . 5.34 648 502 A 33 GLY H A 49 LEU HD1% 1.0 . 4.17 649 503 A 33 GLY H A 49 LEU HD2% 1.0 . 4.17 650 504 A 33 GLY H A 50 VAL HA 1.0 . 5.50 651 505 A 33 GLY HAx A 34 GLU H 1.0 . 3.55 652 506 A 34 GLU H A 33 GLY HAy 1.0 . 3.55 653 507 A 34 GLU H A 33 GLY HAy 1.0 . 3.02 654 507 A 33 GLY HAx A 34 GLU H 1.0 . 3.02 655 508 A 34 GLU H A 34 GLU HGy 1.0 . 5.35 656 509 A 34 GLU H A 34 GLU HGx 1.0 . 5.35 657 510 A 34 GLU H A 34 GLU HBy 1.0 . 3.55 658 510 A 34 GLU HBx A 34 GLU H 1.0 . 3.55 659 511 A 34 GLU H A 34 GLU HGy 1.0 . 4.55 660 511 A 34 GLU H A 34 GLU HGx 1.0 . 4.55 661 512 A 35 VAL H A 34 GLU H 1.0 . 4.86 662 513 A 34 GLU H A 49 LEU HD1% 1.0 . 4.42 663 514 A 34 GLU HBx A 34 GLU HA 1.0 . 3.01 664 515 A 34 GLU HA A 34 GLU HBy 1.0 . 3.01 665 516 A 34 GLU HA A 34 GLU HGy 1.0 . 3.61 666 516 A 34 GLU HGx A 34 GLU HA 1.0 . 3.61 667 517 A 35 VAL H A 34 GLU HA 1.0 . 2.89 668 518 A 35 VAL H A 34 GLU HBy 1.0 . 4.69 669 519 A 35 VAL H A 34 GLU HGy 1.0 . 5.50 670 520 A 35 VAL H A 34 GLU HBy 1.0 . 4.05 671 520 A 34 GLU HBx A 35 VAL H 1.0 . 4.05 672 521 A 35 VAL H A 34 GLU HGy 1.0 . 4.83 673 521 A 35 VAL H A 34 GLU HGx 1.0 . 4.83 674 522 A 35 VAL HB A 35 VAL H 1.0 . 3.92 675 523 A 35 VAL HG1% A 35 VAL H 1.0 . 4.09 676 524 A 35 VAL H A 35 VAL HG2% 1.0 . 4.09 677 525 A 35 VAL H A 35 VAL HG2% 1.0 . 3.32 678 525 A 35 VAL HG1% A 35 VAL H 1.0 . 3.32 679 526 A 35 VAL H A 36 GLU H 1.0 . 4.80 680 527 A 35 VAL HG1% A 35 VAL HA 1.0 . 3.76 681 528 A 35 VAL HA A 35 VAL HG2% 1.0 . 3.76 682 529 A 35 VAL HA A 35 VAL HG2% 1.0 . 2.95 683 529 A 35 VAL HG1% A 35 VAL HA 1.0 . 2.95 684 530 A 36 GLU H A 35 VAL HA 1.0 . 2.64 685 531 A 35 VAL HB A 36 GLU H 1.0 . 3.00 686 532 A 35 VAL HG1% A 36 GLU H 1.0 . 4.21 687 533 A 35 VAL HG1% A 47 GLY H 1.0 . 4.90 688 534 A 35 VAL HG1% A 48 VAL HA 1.0 . 3.88 689 535 A 36 GLU H A 35 VAL HG2% 1.0 . 4.21 690 536 A 47 GLY H A 35 VAL HG2% 1.0 . 4.90 691 537 A 48 VAL HA A 35 VAL HG2% 1.0 . 3.88 692 538 A 36 GLU H A 35 VAL HG2% 1.0 . 3.69 693 538 A 35 VAL HG1% A 36 GLU H 1.0 . 3.69 694 539 A 36 GLU HA A 35 VAL HG2% 1.0 . 4.75 695 539 A 36 GLU HA A 35 VAL HG1% 1.0 . 4.75 696 540 A 46 TYR HA A 35 VAL HG2% 1.0 . 5.44 697 540 A 35 VAL HG1% A 46 TYR HA 1.0 . 5.44 698 541 A 47 GLY H A 35 VAL HG2% 1.0 . 3.89 699 541 A 35 VAL HG1% A 47 GLY H 1.0 . 3.89 700 542 A 48 VAL HA A 35 VAL HG2% 1.0 . 3.19 701 542 A 35 VAL HG1% A 48 VAL HA 1.0 . 3.19 702 543 A 35 VAL HG1% A 48 VAL HG2% 1.0 . 3.37 703 543 A 35 VAL HG2% A 48 VAL HG2% 1.0 . 3.37 704 543 A 48 VAL HG1% A 35 VAL HG2% 1.0 . 3.37 705 543 A 35 VAL HG1% A 48 VAL HG1% 1.0 . 3.37 706 544 A 49 LEU H A 35 VAL HG2% 1.0 . 2.55 707 544 A 35 VAL HG1% A 49 LEU H 1.0 . 2.55 708 545 A 49 LEU HG A 35 VAL HG2% 1.0 . 5.44 709 545 A 35 VAL HG1% A 49 LEU HG 1.0 . 5.44 710 546 A 35 VAL HG1% A 49 LEU HD2% 1.0 . 2.86 711 546 A 35 VAL HG2% A 49 LEU HD2% 1.0 . 2.86 712 547 A 36 GLU H A 36 GLU HBy 1.0 . 3.56 713 548 A 36 GLU H A 36 GLU HBx 1.0 . 3.56 714 549 A 36 GLU H A 36 GLU HG2 1.0 . 5.41 715 550 A 36 GLU H A 36 GLU HG3 1.0 . 5.31 716 551 A 36 GLU H A 36 GLU HBx 1.0 . 3.56 717 551 A 36 GLU H A 36 GLU HBy 1.0 . 3.56 718 552 A 36 GLU H A 36 GLU HG2 1.0 . 4.33 719 552 A 36 GLU H A 36 GLU HG3 1.0 . 4.33 720 553 A 37 THR H A 36 GLU H 1.0 . 4.65 721 554 A 36 GLU HA A 36 GLU HG2 1.0 . 4.12 722 555 A 36 GLU HA A 36 GLU HG3 1.0 . 4.12 723 556 A 36 GLU HA A 37 THR H 1.0 . 2.97 724 557 A 37 THR H A 36 GLU HBy 1.0 . 4.20 725 558 A 37 THR H A 36 GLU HBx 1.0 . 4.20 726 559 A 37 THR H A 36 GLU HG2 1.0 . 5.30 727 560 A 37 THR H A 36 GLU HG3 1.0 . 5.30 728 561 A 47 GLY H A 36 GLU HG3 1.0 . 5.50 729 562 A 37 THR H A 36 GLU HBx 1.0 . 3.50 730 562 A 37 THR H A 36 GLU HBy 1.0 . 3.50 731 563 A 37 THR H A 36 GLU HG2 1.0 . 4.61 732 563 A 37 THR H A 36 GLU HG3 1.0 . 4.61 733 564 A 37 THR H A 37 THR HB 1.0 . 3.73 734 565 A 37 THR H A 37 THR HG2% 1.0 . 3.70 735 566 A 37 THR H A 38 GLU H 1.0 . 4.53 736 567 A 37 THR HG2% A 37 THR HA 1.0 . 2.92 737 568 A 38 GLU H A 37 THR HA 1.0 . 4.13 738 569 A 46 TYR HA A 37 THR HA 1.0 . 4.77 739 570 A 37 THR HA A 46 TYR HDy 1.0 . 3.90 740 571 A 46 TYR HEy A 37 THR HA 1.0 . 5.50 741 572 A 47 GLY H A 37 THR HA 1.0 . 4.39 742 573 A 37 THR HB A 38 GLU H 1.0 . 4.20 743 574 A 46 TYR HA A 37 THR HB 1.0 . 4.53 744 575 A 37 THR HB A 46 TYR HDy 1.0 . 4.50 745 576 A 37 THR HG2% A 38 GLU H 1.0 . 3.87 746 577 A 37 THR HG2% A 46 TYR H 1.0 . 4.84 747 578 A 46 TYR HA A 37 THR HG2% 1.0 . 3.78 748 579 A 37 THR HG2% A 46 TYR HDy 1.0 . 2.40 749 580 A 46 TYR HEy A 37 THR HG2% 1.0 . 3.14 750 581 A 38 GLU H A 38 GLU HGx 1.0 . 4.48 751 582 A 38 GLU H A 38 GLU HGy 1.0 . 4.48 752 583 A 38 GLU H A 38 GLU HB3 1.0 . 3.69 753 583 A 38 GLU H A 38 GLU HB2 1.0 . 3.69 754 584 A 38 GLU H A 38 GLU HGx 1.0 . 3.89 755 584 A 38 GLU H A 38 GLU HGy 1.0 . 3.89 756 585 A 38 GLU H A 39 THR H 1.0 . 4.71 757 586 A 46 TYR HA A 38 GLU H 1.0 . 4.18 758 587 A 38 GLU H A 46 TYR HBy 1.0 . 5.50 759 588 A 47 GLY H A 38 GLU H 1.0 . 4.88 760 589 A 38 GLU HA A 38 GLU HGx 1.0 . 2.53 761 589 A 38 GLU HGy A 38 GLU HA 1.0 . 2.53 762 590 A 39 THR H A 38 GLU HA 1.0 . 2.99 763 591 A 38 GLU HB2 A 44 ALA HB% 1.0 . 4.27 764 592 A 44 ALA HB% A 38 GLU HB3 1.0 . 4.27 765 593 A 47 GLY H A 38 GLU HGx 1.0 . 5.50 766 594 A 47 GLY H A 38 GLU HGy 1.0 . 5.50 767 595 A 38 GLU HB3 A 38 GLU HGx 1.0 . 2.18 768 595 A 38 GLU HB2 A 38 GLU HGx 1.0 . 2.18 769 595 A 38 GLU HGy A 38 GLU HB3 1.0 . 2.18 770 595 A 38 GLU HB2 A 38 GLU HGy 1.0 . 2.18 771 596 A 39 THR H A 38 GLU HB3 1.0 . 4.06 772 596 A 38 GLU HB2 A 39 THR H 1.0 . 4.06 773 597 A 40 GLY H A 38 GLU HB3 1.0 . 5.34 774 597 A 38 GLU HB2 A 40 GLY H 1.0 . 5.34 775 598 A 44 ALA HB% A 38 GLU HB3 1.0 . 3.63 776 598 A 38 GLU HB2 A 44 ALA HB% 1.0 . 3.63 777 599 A 39 THR H A 38 GLU HGx 1.0 . 4.63 778 599 A 38 GLU HGy A 39 THR H 1.0 . 4.63 779 600 A 44 ALA HA A 38 GLU HGx 1.0 . 5.25 780 600 A 38 GLU HGy A 44 ALA HA 1.0 . 5.25 781 601 A 44 ALA HB% A 38 GLU HGx 1.0 . 3.40 782 601 A 38 GLU HGy A 44 ALA HB% 1.0 . 3.40 783 602 A 45 ALA H A 38 GLU HGx 1.0 . 4.73 784 602 A 38 GLU HGy A 45 ALA H 1.0 . 4.73 785 603 A 45 ALA HA A 38 GLU HGx 1.0 . 4.30 786 603 A 38 GLU HGy A 45 ALA HA 1.0 . 4.30 787 604 A 46 TYR HA A 38 GLU HGx 1.0 . 3.72 788 604 A 46 TYR HA A 38 GLU HGy 1.0 . 3.72 789 605 A 39 THR H A 39 THR HB 1.0 . 4.19 790 606 A 39 THR H A 39 THR HG2% 1.0 . 4.09 791 607 A 39 THR HB A 39 THR HA 1.0 . 2.78 792 608 A 39 THR HG2% A 39 THR HA 1.0 . 3.16 793 609 A 40 GLY H A 39 THR HB 1.0 . 4.17 794 610 A 40 GLY H A 39 THR HG2% 1.0 . 4.25 795 611 A 41 GLU H A 41 GLU HBx 1.0 . 3.75 796 612 A 41 GLU H A 41 GLU HBy 1.0 . 3.75 797 613 A 41 GLU H A 41 GLU HG2 1.0 . 5.50 798 614 A 41 GLU H A 41 GLU HG3 1.0 . 5.50 799 615 A 41 GLU H A 41 GLU HBy 1.0 . 3.35 800 615 A 41 GLU H A 41 GLU HBx 1.0 . 3.35 801 616 A 41 GLU H A 41 GLU HG2 1.0 . 4.74 802 616 A 41 GLU H A 41 GLU HG3 1.0 . 4.74 803 617 A 41 GLU HA A 41 GLU HG2 1.0 . 4.24 804 618 A 41 GLU HG3 A 41 GLU HA 1.0 . 4.24 805 619 A 41 GLU HA A 41 GLU HG2 1.0 . 3.61 806 619 A 41 GLU HG3 A 41 GLU HA 1.0 . 3.61 807 620 A 41 GLU HA A 42 GLY H 1.0 . 3.27 808 621 A 41 GLU HBx A 42 GLY H 1.0 . 4.74 809 622 A 42 GLY H A 41 GLU HBy 1.0 . 4.74 810 623 A 42 GLY H A 41 GLU HG2 1.0 . 5.50 811 624 A 41 GLU HG3 A 42 GLY H 1.0 . 5.50 812 625 A 41 GLU HBy A 41 GLU HG2 1.0 . 4.08 813 625 A 41 GLU HBx A 41 GLU HG2 1.0 . 4.08 814 625 A 41 GLU HG3 A 41 GLU HBy 1.0 . 4.08 815 625 A 41 GLU HBx A 41 GLU HG3 1.0 . 4.08 816 626 A 42 GLY H A 41 GLU HBy 1.0 . 4.12 817 626 A 41 GLU HBx A 42 GLY H 1.0 . 4.12 818 627 A 42 GLY H A 43 ALA HB% 1.0 . 5.47 819 628 A 43 ALA H A 42 GLY HAx 1.0 . 3.53 820 629 A 43 ALA H A 42 GLY HAy 1.0 . 3.53 821 630 A 43 ALA H A 42 GLY HAy 1.0 . 3.04 822 630 A 43 ALA H A 42 GLY HAx 1.0 . 3.04 823 631 A 43 ALA HB% A 43 ALA H 1.0 . 4.41 824 632 A 43 ALA H A 44 ALA H 1.0 . 3.48 825 633 A 43 ALA HB% A 44 ALA H 1.0 . 4.65 826 634 A 43 ALA HB% A 63 ASP HBy 1.0 . 4.50 827 635 A 43 ALA HB% A 69 LEU HG 1.0 . 3.39 828 636 A 43 ALA HB% A 69 LEU HD1% 1.0 . 3.20 829 637 A 44 ALA HB% A 44 ALA H 1.0 . 2.99 830 638 A 45 ALA H A 44 ALA H 1.0 . 4.65 831 639 A 44 ALA H A 69 LEU HG 1.0 . 4.40 832 640 A 44 ALA H A 69 LEU HD1% 1.0 . 5.50 833 641 A 44 ALA HA A 45 ALA H 1.0 . 3.20 834 642 A 46 TYR H A 44 ALA HA 1.0 . 3.98 835 643 A 44 ALA HA A 61 HIS HBx 1.0 . 5.50 836 644 A 44 ALA HA A 61 HIS HBy 1.0 . 4.61 837 645 A 44 ALA HA A 61 HIS HBx 1.0 . 5.50 838 645 A 44 ALA HA A 61 HIS HBy 1.0 . 5.50 839 646 A 44 ALA HA A 62 LEU H 1.0 . 5.06 840 647 A 44 ALA HA A 62 LEU HBx 1.0 . 5.50 841 648 A 44 ALA HA A 63 ASP H 1.0 . 4.37 842 649 A 44 ALA HA A 63 ASP HA 1.0 . 4.21 843 650 A 44 ALA HA A 63 ASP HBy 1.0 . 4.45 844 651 A 44 ALA HA A 63 ASP HBx 1.0 . 4.65 845 652 A 44 ALA HA A 69 LEU HBx 1.0 . 4.94 846 653 A 44 ALA HA A 69 LEU HG 1.0 . 3.64 847 654 A 44 ALA HB% A 45 ALA H 1.0 . 3.85 848 655 A 46 TYR H A 44 ALA HB% 1.0 . 4.27 849 656 A 44 ALA HB% A 61 HIS HA 1.0 . 3.74 850 657 A 44 ALA HB% A 61 HIS HBx 1.0 . 3.89 851 658 A 44 ALA HB% A 61 HIS HBy 1.0 . 3.04 852 659 A 44 ALA HB% A 61 HIS HD2 1.0 . 3.58 853 660 A 44 ALA HB% A 62 LEU H 1.0 . 4.47 854 661 A 44 ALA HB% A 69 LEU HBx 1.0 . 4.58 855 662 A 44 ALA HB% A 69 LEU HBy 1.0 . 4.91 856 663 A 44 ALA HB% A 69 LEU HG 1.0 . 2.92 857 664 A 44 ALA HB% A 69 LEU HD1% 1.0 . 3.44 858 665 A 45 ALA H A 45 ALA HB% 1.0 . 3.50 859 666 A 46 TYR H A 45 ALA H 1.0 . 3.07 860 667 A 45 ALA H A 62 LEU HBy 1.0 . 5.25 861 668 A 45 ALA H A 63 ASP HA 1.0 . 3.89 862 669 A 45 ALA H A 63 ASP HBy 1.0 . 5.08 863 670 A 45 ALA H A 63 ASP HBx 1.0 . 5.08 864 671 A 46 TYR H A 45 ALA HB% 1.0 . 3.47 865 672 A 63 ASP HA A 45 ALA HB% 1.0 . 4.29 866 673 A 63 ASP HBy A 45 ALA HB% 1.0 . 5.50 867 674 A 63 ASP HBx A 45 ALA HB% 1.0 . 5.47 868 675 A 45 ALA HB% A 64 ARG H 1.0 . 4.70 869 676 A 45 ALA HB% A 64 ARG HBx 1.0 . 4.99 870 677 A 45 ALA HB% A 64 ARG HGy 1.0 . 3.33 871 678 A 46 TYR H A 46 TYR HBx 1.0 . 3.79 872 679 A 46 TYR H A 46 TYR HBy 1.0 . 4.00 873 680 A 46 TYR H A 46 TYR HDx 1.0 . 4.53 874 681 A 46 TYR H A 46 TYR HEx 1.0 . 4.49 875 682 A 47 GLY H A 46 TYR H 1.0 . 4.62 876 683 A 46 TYR H A 62 LEU H 1.0 . 3.78 877 684 A 46 TYR H A 62 LEU HBx 1.0 . 3.67 878 685 A 46 TYR H A 62 LEU HBy 1.0 . 4.20 879 686 A 46 TYR H A 62 LEU HG 1.0 . 5.50 880 687 A 46 TYR H A 63 ASP H 1.0 . 4.64 881 688 A 46 TYR H A 63 ASP HA 1.0 . 4.44 882 689 A 46 TYR HA A 46 TYR HDy 1.0 . 3.00 883 690 A 46 TYR HEy A 46 TYR HA 1.0 . 5.50 884 691 A 47 GLY H A 46 TYR HA 1.0 . 3.20 885 692 A 46 TYR HA A 62 LEU HBy 1.0 . 5.50 886 693 A 46 TYR HBx A 46 TYR HDx 1.0 . 2.55 887 694 A 47 GLY H A 46 TYR HBx 1.0 . 4.25 888 695 A 62 LEU H A 46 TYR HBx 1.0 . 4.52 889 696 A 62 LEU HBx A 46 TYR HBx 1.0 . 3.65 890 697 A 62 LEU HBy A 46 TYR HBx 1.0 . 3.71 891 698 A 46 TYR HBx A 62 LEU HG 1.0 . 3.67 892 699 A 46 TYR HBx A 62 LEU HD2% 1.0 . 4.74 893 700 A 66 PHE HA A 46 TYR HBx 1.0 . 4.46 894 701 A 66 PHE HEy A 46 TYR HBx 1.0 . 4.36 895 702 A 66 PHE HZ A 46 TYR HBx 1.0 . 4.41 896 703 A 46 TYR HDy A 46 TYR HBy 1.0 . 2.40 897 704 A 46 TYR HEy A 46 TYR HBy 1.0 . 4.92 898 705 A 47 GLY H A 46 TYR HBy 1.0 . 3.83 899 706 A 46 TYR HBy A 47 GLY HAy 1.0 . 5.41 900 707 A 46 TYR HBy A 62 LEU H 1.0 . 5.50 901 708 A 46 TYR HBy A 62 LEU HBx 1.0 . 3.70 902 709 A 46 TYR HBy A 62 LEU HBy 1.0 . 4.54 903 710 A 46 TYR HBy A 62 LEU HG 1.0 . 4.35 904 711 A 66 PHE HA A 46 TYR HBy 1.0 . 5.50 905 712 A 66 PHE HEx A 46 TYR HBy 1.0 . 5.47 906 713 A 66 PHE HZ A 46 TYR HBy 1.0 . 3.61 907 714 A 47 GLY H A 46 TYR HDy 1.0 . 4.81 908 715 A 66 PHE HZ A 46 TYR HDy 1.0 . 4.26 909 716 A 62 LEU HBx A 46 TYR HDx 1.0 . 3.17 910 717 A 62 LEU HBy A 46 TYR HDx 1.0 . 3.07 911 718 A 46 TYR HDx A 64 ARG HA 1.0 . 4.16 912 719 A 66 PHE H A 46 TYR HDx 1.0 . 4.55 913 720 A 62 LEU HBx A 46 TYR HEx 1.0 . 5.50 914 721 A 62 LEU HBy A 46 TYR HEx 1.0 . 5.02 915 722 A 46 TYR HEx A 64 ARG HA 1.0 . 3.40 916 723 A 64 ARG HBx A 46 TYR HEx 1.0 . 5.00 917 724 A 46 TYR HEx A 64 ARG HBy 1.0 . 4.35 918 725 A 46 TYR HEx A 65 ASP H 1.0 . 5.50 919 726 A 66 PHE H A 46 TYR HEx 1.0 . 4.00 920 727 A 66 PHE HA A 46 TYR HEx 1.0 . 4.09 921 728 A 66 PHE HBx A 46 TYR HEx 1.0 . 5.50 922 729 A 47 GLY H A 48 VAL HA 1.0 . 4.88 923 730 A 47 GLY H A 62 LEU HBx 1.0 . 5.23 924 731 A 47 GLY H A 62 LEU HD2% 1.0 . 5.50 925 732 A 48 VAL H A 47 GLY HAx 1.0 . 3.41 926 733 A 61 HIS HA A 47 GLY HAx 1.0 . 3.33 927 734 A 61 HIS HD2 A 47 GLY HAx 1.0 . 4.18 928 735 A 62 LEU H A 47 GLY HAx 1.0 . 4.45 929 736 A 61 HIS HA A 47 GLY HAy 1.0 . 4.49 930 737 A 61 HIS HD2 A 47 GLY HAy 1.0 . 4.46 931 738 A 62 LEU H A 47 GLY HAy 1.0 . 4.27 932 739 A 62 LEU HD2% A 47 GLY HAy 1.0 . 4.12 933 740 A 48 VAL H A 48 VAL HB 1.0 . 3.52 934 741 A 48 VAL HG1% A 48 VAL H 1.0 . 4.67 935 742 A 48 VAL H A 48 VAL HG2% 1.0 . 4.67 936 743 A 48 VAL H A 48 VAL HG2% 1.0 . 3.41 937 743 A 48 VAL HG1% A 48 VAL H 1.0 . 3.41 938 744 A 49 LEU H A 48 VAL H 1.0 . 4.76 939 745 A 48 VAL H A 60 VAL HB 1.0 . 4.28 940 746 A 48 VAL H A 61 HIS HA 1.0 . 4.60 941 747 A 48 VAL HA A 48 VAL HG1% 1.0 . 3.67 942 748 A 48 VAL HA A 48 VAL HG2% 1.0 . 3.67 943 749 A 48 VAL HA A 48 VAL HG2% 1.0 . 3.09 944 749 A 48 VAL HA A 48 VAL HG1% 1.0 . 3.09 945 750 A 48 VAL HA A 49 LEU H 1.0 . 3.17 946 751 A 48 VAL HB A 60 VAL H 1.0 . 4.27 947 752 A 48 VAL HB A 60 VAL HB 1.0 . 4.56 948 753 A 49 LEU H A 48 VAL HG2% 1.0 . 3.54 949 753 A 48 VAL HG1% A 49 LEU H 1.0 . 3.54 950 754 A 49 LEU HA A 48 VAL HG2% 1.0 . 3.41 951 754 A 48 VAL HG1% A 49 LEU HA 1.0 . 3.41 952 755 A 49 LEU HBy A 48 VAL HG2% 1.0 . 5.22 953 755 A 48 VAL HG1% A 49 LEU HBy 1.0 . 5.22 954 756 A 60 VAL H A 48 VAL HG2% 1.0 . 2.69 955 756 A 48 VAL HG1% A 60 VAL H 1.0 . 2.69 956 757 A 60 VAL HA A 48 VAL HG2% 1.0 . 4.81 957 757 A 48 VAL HG1% A 60 VAL HA 1.0 . 4.81 958 758 A 48 VAL HG2% A 60 VAL HG2% 1.0 . 2.64 959 758 A 48 VAL HG1% A 60 VAL HG2% 1.0 . 2.64 960 758 A 60 VAL HG1% A 48 VAL HG2% 1.0 . 2.64 961 758 A 48 VAL HG1% A 60 VAL HG1% 1.0 . 2.64 962 759 A 49 LEU H A 49 LEU HBx 1.0 . 3.86 963 760 A 49 LEU H A 49 LEU HBy 1.0 . 3.00 964 761 A 49 LEU H A 49 LEU HG 1.0 . 4.01 965 762 A 49 LEU H A 49 LEU HD1% 1.0 . 4.26 966 763 A 49 LEU H A 49 LEU HD2% 1.0 . 5.50 967 764 A 49 LEU H A 50 VAL H 1.0 . 4.72 968 765 A 49 LEU H A 50 VAL HG2% 1.0 . 5.44 969 765 A 49 LEU H A 50 VAL HG1% 1.0 . 5.44 970 766 A 49 LEU HG A 49 LEU HA 1.0 . 3.95 971 767 A 49 LEU HD1% A 49 LEU HA 1.0 . 3.51 972 768 A 49 LEU HA A 49 LEU HD2% 1.0 . 5.12 973 769 A 49 LEU HA A 50 VAL H 1.0 . 2.83 974 770 A 49 LEU HA A 50 VAL HG2% 1.0 . 3.79 975 770 A 50 VAL HG1% A 49 LEU HA 1.0 . 3.79 976 771 A 49 LEU HG A 49 LEU HBx 1.0 . 3.00 977 772 A 49 LEU HD1% A 49 LEU HBx 1.0 . 2.40 978 773 A 49 LEU HBx A 49 LEU HD2% 1.0 . 2.70 979 774 A 50 VAL H A 49 LEU HBx 1.0 . 3.54 980 775 A 57 ARG HDy A 49 LEU HBx 1.0 . 4.35 981 775 A 49 LEU HBx A 57 ARG HDx 1.0 . 4.35 982 776 A 49 LEU HG A 49 LEU HBy 1.0 . 2.70 983 777 A 49 LEU HD1% A 49 LEU HBy 1.0 . 3.25 984 778 A 49 LEU HBy A 49 LEU HD2% 1.0 . 2.40 985 779 A 49 LEU HBy A 50 VAL H 1.0 . 5.50 986 780 A 49 LEU HD1% A 57 ARG HA 1.0 . 4.65 987 781 A 49 LEU HD1% A 57 ARG HG2 1.0 . 4.38 988 782 A 49 LEU HD1% A 57 ARG HG3 1.0 . 4.63 989 783 A 49 LEU HD1% A 57 ARG HDy 1.0 . 3.08 990 783 A 49 LEU HD1% A 57 ARG HDx 1.0 . 3.08 991 784 A 49 LEU HD1% A 57 ARG HBy 1.0 . 4.07 992 784 A 49 LEU HD2% A 57 ARG HBy 1.0 . 4.07 993 784 A 57 ARG HBx A 49 LEU HD2% 1.0 . 4.07 994 784 A 49 LEU HD1% A 57 ARG HBx 1.0 . 4.07 995 785 A 60 VAL H A 49 LEU HD2% 1.0 . 5.50 996 785 A 49 LEU HD1% A 60 VAL H 1.0 . 5.50 997 786 A 50 VAL HB A 50 VAL H 1.0 . 3.65 998 787 A 50 VAL H A 50 VAL HG2% 1.0 . 3.11 999 787 A 50 VAL HG1% A 50 VAL H 1.0 . 3.11 1000 788 A 51 THR H A 50 VAL H 1.0 . 4.81 1001 789 A 50 VAL H A 51 THR HA 1.0 . 5.50 1002 790 A 50 VAL H A 57 ARG HBx 1.0 . 5.50 1003 791 A 50 VAL H A 57 ARG HBy 1.0 . 5.50 1004 792 A 50 VAL H A 57 ARG HG3 1.0 . 3.63 1005 793 A 50 VAL H A 58 VAL H 1.0 . 3.97 1006 794 A 50 VAL H A 59 GLU H 1.0 . 5.50 1007 795 A 50 VAL H A 59 GLU HA 1.0 . 5.50 1008 796 A 60 VAL H A 50 VAL H 1.0 . 5.24 1009 797 A 50 VAL HG1% A 50 VAL HA 1.0 . 3.71 1010 798 A 50 VAL HA A 50 VAL HG2% 1.0 . 3.71 1011 799 A 50 VAL HA A 50 VAL HG2% 1.0 . 2.88 1012 799 A 50 VAL HG1% A 50 VAL HA 1.0 . 2.88 1013 800 A 51 THR H A 50 VAL HA 1.0 . 3.42 1014 801 A 50 VAL HG1% A 51 THR H 1.0 . 4.13 1015 802 A 51 THR H A 50 VAL HG2% 1.0 . 4.33 1016 803 A 51 THR H A 50 VAL HG2% 1.0 . 2.93 1017 803 A 50 VAL HG1% A 51 THR H 1.0 . 2.93 1018 804 A 57 ARG HG3 A 50 VAL HG2% 1.0 . 4.62 1019 804 A 50 VAL HG1% A 57 ARG HG3 1.0 . 4.62 1020 805 A 58 VAL HA A 50 VAL HG2% 1.0 . 5.44 1021 805 A 50 VAL HG1% A 58 VAL HA 1.0 . 5.44 1022 806 A 59 GLU H A 50 VAL HG2% 1.0 . 5.44 1023 806 A 50 VAL HG1% A 59 GLU H 1.0 . 5.44 1024 807 A 60 VAL H A 50 VAL HG2% 1.0 . 5.44 1025 807 A 50 VAL HG1% A 60 VAL H 1.0 . 5.44 1026 808 A 51 THR H A 51 THR HB 1.0 . 3.69 1027 809 A 51 THR H A 51 THR HG2% 1.0 . 3.80 1028 810 A 51 THR H A 52 ARG H 1.0 . 4.54 1029 811 A 51 THR H A 57 ARG HG3 1.0 . 5.50 1030 812 A 51 THR H A 57 ARG HDx 1.0 . 5.34 1031 812 A 51 THR H A 57 ARG HDy 1.0 . 5.34 1032 813 A 51 THR HA A 51 THR HG2% 1.0 . 3.29 1033 814 A 52 ARG H A 51 THR HA 1.0 . 3.19 1034 815 A 57 ARG HA A 51 THR HA 1.0 . 2.91 1035 816 A 51 THR HA A 58 VAL H 1.0 . 4.18 1036 817 A 51 THR HB A 52 ARG H 1.0 . 4.61 1037 818 A 52 ARG H A 51 THR HG2% 1.0 . 3.38 1038 819 A 51 THR HG2% A 53 PRO HA 1.0 . 4.67 1039 820 A 51 THR HG2% A 53 PRO HDy 1.0 . 5.28 1040 820 A 53 PRO HDx A 51 THR HG2% 1.0 . 5.28 1041 821 A 51 THR HG2% A 54 ASP H 1.0 . 5.01 1042 822 A 51 THR HG2% A 55 GLY H 1.0 . 4.05 1043 823 A 51 THR HG2% A 55 GLY HAx 1.0 . 3.41 1044 824 A 51 THR HG2% A 57 ARG H 1.0 . 5.19 1045 825 A 57 ARG HA A 51 THR HG2% 1.0 . 3.62 1046 826 A 57 ARG HBx A 51 THR HG2% 1.0 . 3.60 1047 827 A 51 THR HG2% A 57 ARG HDx 1.0 . 3.73 1048 827 A 57 ARG HDy A 51 THR HG2% 1.0 . 3.73 1049 828 A 58 VAL H A 51 THR HG2% 1.0 . 5.13 1050 829 A 52 ARG HDx A 52 ARG H 1.0 . 5.50 1051 830 A 52 ARG H A 52 ARG HDy 1.0 . 5.50 1052 831 A 52 ARG H A 52 ARG HDy 1.0 . 4.84 1053 831 A 52 ARG HDx A 52 ARG H 1.0 . 4.84 1054 832 A 52 ARG H A 52 ARG HG3 1.0 . 4.12 1055 832 A 52 ARG HG2 A 52 ARG H 1.0 . 4.12 1056 833 A 52 ARG H A 55 GLY H 1.0 . 4.86 1057 834 A 52 ARG H A 56 THR H 1.0 . 4.27 1058 835 A 52 ARG H A 57 ARG HA 1.0 . 4.06 1059 836 A 52 ARG H A 58 VAL HG2% 1.0 . 4.94 1060 836 A 52 ARG H A 58 VAL HG1% 1.0 . 4.94 1061 837 A 52 ARG HDx A 52 ARG HA 1.0 . 3.93 1062 838 A 52 ARG HA A 52 ARG HDy 1.0 . 3.53 1063 839 A 52 ARG HA A 52 ARG HDy 1.0 . 3.40 1064 839 A 52 ARG HDx A 52 ARG HA 1.0 . 3.40 1065 840 A 52 ARG HA A 52 ARG HG3 1.0 . 3.68 1066 840 A 52 ARG HG2 A 52 ARG HA 1.0 . 3.68 1067 841 A 52 ARG HA A 53 PRO HDx 1.0 . 3.29 1068 842 A 52 ARG HA A 53 PRO HDy 1.0 . 2.79 1069 843 A 53 PRO HDx A 52 ARG HBy 1.0 . 4.63 1070 844 A 52 ARG HBy A 53 PRO HDy 1.0 . 4.63 1071 845 A 54 ASP H A 52 ARG HBy 1.0 . 4.66 1072 846 A 55 GLY H A 52 ARG HBy 1.0 . 5.05 1073 847 A 56 THR H A 52 ARG HBy 1.0 . 5.01 1074 848 A 56 THR HB A 52 ARG HBy 1.0 . 5.50 1075 849 A 53 PRO HDx A 52 ARG HBx 1.0 . 4.63 1076 850 A 52 ARG HBx A 53 PRO HDy 1.0 . 4.63 1077 851 A 54 ASP H A 52 ARG HBx 1.0 . 4.66 1078 852 A 55 GLY H A 52 ARG HBx 1.0 . 5.05 1079 853 A 56 THR H A 52 ARG HBx 1.0 . 5.01 1080 854 A 56 THR HB A 52 ARG HBx 1.0 . 5.50 1081 855 A 52 ARG HG2 A 54 ASP H 1.0 . 5.50 1082 856 A 52 ARG HG2 A 56 THR H 1.0 . 5.50 1083 857 A 54 ASP H A 52 ARG HG3 1.0 . 5.50 1084 858 A 56 THR H A 52 ARG HG3 1.0 . 5.50 1085 859 A 52 ARG HBx A 52 ARG HDy 1.0 . 2.62 1086 859 A 52 ARG HBy A 52 ARG HDy 1.0 . 2.62 1087 859 A 52 ARG HDx A 52 ARG HBx 1.0 . 2.62 1088 859 A 52 ARG HDx A 52 ARG HBy 1.0 . 2.62 1089 860 A 52 ARG HBx A 53 PRO HDy 1.0 . 4.68 1090 860 A 52 ARG HBy A 53 PRO HDy 1.0 . 4.68 1091 860 A 53 PRO HDx A 52 ARG HBx 1.0 . 4.68 1092 860 A 53 PRO HDx A 52 ARG HBy 1.0 . 4.68 1093 861 A 54 ASP H A 52 ARG HBx 1.0 . 4.65 1094 861 A 54 ASP H A 52 ARG HBy 1.0 . 4.65 1095 862 A 55 GLY H A 52 ARG HBx 1.0 . 4.23 1096 862 A 55 GLY H A 52 ARG HBy 1.0 . 4.23 1097 863 A 56 THR H A 52 ARG HBx 1.0 . 4.15 1098 863 A 56 THR H A 52 ARG HBy 1.0 . 4.15 1099 864 A 56 THR HB A 52 ARG HBx 1.0 . 4.75 1100 864 A 56 THR HB A 52 ARG HBy 1.0 . 4.75 1101 865 A 56 THR HB A 52 ARG HDy 1.0 . 4.45 1102 865 A 52 ARG HDx A 56 THR HB 1.0 . 4.45 1103 866 A 52 ARG HDx A 52 ARG HG3 1.0 . 2.24 1104 866 A 52 ARG HDy A 52 ARG HG3 1.0 . 2.24 1105 866 A 52 ARG HG2 A 52 ARG HDy 1.0 . 2.24 1106 866 A 52 ARG HDx A 52 ARG HG2 1.0 . 2.24 1107 867 A 52 ARG HG2 A 53 PRO HDy 1.0 . 4.00 1108 867 A 52 ARG HG3 A 53 PRO HDy 1.0 . 4.00 1109 867 A 53 PRO HDx A 52 ARG HG3 1.0 . 4.00 1110 867 A 52 ARG HG2 A 53 PRO HDx 1.0 . 4.00 1111 868 A 56 THR H A 52 ARG HG3 1.0 . 5.50 1112 868 A 52 ARG HG2 A 56 THR H 1.0 . 5.50 1113 869 A 53 PRO HDx A 54 ASP H 1.0 . 4.22 1114 870 A 54 ASP H A 53 PRO HDy 1.0 . 4.22 1115 871 A 54 ASP H A 53 PRO HBy 1.0 . 4.07 1116 871 A 54 ASP H A 53 PRO HBx 1.0 . 4.07 1117 872 A 54 ASP H A 53 PRO HDy 1.0 . 3.70 1118 872 A 53 PRO HDx A 54 ASP H 1.0 . 3.70 1119 873 A 55 GLY H A 53 PRO HDy 1.0 . 5.35 1120 873 A 53 PRO HDx A 55 GLY H 1.0 . 5.35 1121 874 A 54 ASP H A 54 ASP HBx 1.0 . 3.68 1122 875 A 54 ASP H A 54 ASP HBy 1.0 . 3.68 1123 876 A 54 ASP H A 54 ASP HBy 1.0 . 3.23 1124 876 A 54 ASP H A 54 ASP HBx 1.0 . 3.23 1125 877 A 54 ASP H A 55 GLY H 1.0 . 3.80 1126 878 A 54 ASP H A 56 THR H 1.0 . 4.26 1127 879 A 54 ASP H A 56 THR HB 1.0 . 5.27 1128 880 A 54 ASP H A 56 THR HG2% 1.0 . 4.60 1129 881 A 55 GLY H A 54 ASP HBx 1.0 . 5.06 1130 882 A 55 GLY H A 54 ASP HBy 1.0 . 5.06 1131 883 A 55 GLY H A 54 ASP HBy 1.0 . 4.34 1132 883 A 55 GLY H A 54 ASP HBx 1.0 . 4.34 1133 884 A 56 THR H A 54 ASP HBy 1.0 . 4.08 1134 884 A 56 THR H A 54 ASP HBx 1.0 . 4.08 1135 885 A 56 THR HB A 54 ASP HBy 1.0 . 3.81 1136 885 A 56 THR HB A 54 ASP HBx 1.0 . 3.81 1137 886 A 55 GLY H A 56 THR H 1.0 . 3.19 1138 887 A 55 GLY H A 56 THR HG2% 1.0 . 4.77 1139 888 A 55 GLY HAx A 56 THR H 1.0 . 3.35 1140 889 A 56 THR H A 56 THR HB 1.0 . 3.01 1141 890 A 56 THR H A 56 THR HG2% 1.0 . 2.85 1142 891 A 57 ARG H A 56 THR H 1.0 . 4.54 1143 892 A 56 THR HB A 56 THR HA 1.0 . 2.70 1144 893 A 56 THR HG2% A 56 THR HA 1.0 . 3.21 1145 894 A 57 ARG H A 56 THR HA 1.0 . 2.77 1146 895 A 57 ARG HA A 56 THR HA 1.0 . 4.52 1147 896 A 57 ARG HBx A 56 THR HA 1.0 . 4.52 1148 897 A 56 THR HA A 57 ARG HBy 1.0 . 4.94 1149 898 A 57 ARG H A 56 THR HB 1.0 . 5.50 1150 899 A 57 ARG H A 56 THR HG2% 1.0 . 3.74 1151 900 A 57 ARG HBx A 57 ARG H 1.0 . 3.79 1152 901 A 57 ARG H A 57 ARG HBy 1.0 . 3.78 1153 902 A 57 ARG HG2 A 57 ARG H 1.0 . 4.73 1154 903 A 57 ARG HG3 A 57 ARG H 1.0 . 4.53 1155 904 A 57 ARG H A 57 ARG HDx 1.0 . 4.51 1156 904 A 57 ARG HDy A 57 ARG H 1.0 . 4.51 1157 905 A 58 VAL H A 57 ARG H 1.0 . 4.63 1158 906 A 57 ARG H A 74 ALA H 1.0 . 5.00 1159 907 A 57 ARG H A 74 ALA HB% 1.0 . 5.50 1160 908 A 57 ARG HDy A 57 ARG HA 1.0 . 5.23 1161 909 A 57 ARG HA A 57 ARG HDx 1.0 . 5.23 1162 910 A 57 ARG HA A 57 ARG HG3 1.0 . 4.09 1163 911 A 57 ARG HA A 57 ARG HDx 1.0 . 4.57 1164 911 A 57 ARG HDy A 57 ARG HA 1.0 . 4.57 1165 912 A 57 ARG HA A 58 VAL H 1.0 . 3.12 1166 913 A 57 ARG HA A 58 VAL HG2% 1.0 . 3.94 1167 913 A 57 ARG HA A 58 VAL HG1% 1.0 . 3.94 1168 914 A 57 ARG HDy A 57 ARG HBx 1.0 . 3.52 1169 914 A 57 ARG HBx A 57 ARG HDx 1.0 . 3.52 1170 915 A 57 ARG HBx A 74 ALA H 1.0 . 5.50 1171 916 A 57 ARG HBx A 74 ALA HB% 1.0 . 4.74 1172 917 A 57 ARG HG2 A 57 ARG HBy 1.0 . 2.40 1173 918 A 57 ARG HDy A 57 ARG HBy 1.0 . 3.50 1174 918 A 57 ARG HBy A 57 ARG HDx 1.0 . 3.50 1175 919 A 74 ALA HB% A 57 ARG HBy 1.0 . 3.02 1176 920 A 57 ARG HDy A 58 VAL H 1.0 . 5.50 1177 921 A 57 ARG HDy A 74 ALA HB% 1.0 . 5.50 1178 922 A 58 VAL H A 57 ARG HDx 1.0 . 5.50 1179 923 A 74 ALA HB% A 57 ARG HDx 1.0 . 5.50 1180 924 A 57 ARG HG3 A 58 VAL H 1.0 . 4.13 1181 925 A 74 ALA HB% A 57 ARG HDx 1.0 . 4.69 1182 925 A 57 ARG HDy A 74 ALA HB% 1.0 . 4.69 1183 926 A 58 VAL H A 58 VAL HB 1.0 . 3.75 1184 927 A 58 VAL H A 58 VAL HG2% 1.0 . 3.89 1185 927 A 58 VAL H A 58 VAL HG1% 1.0 . 3.89 1186 928 A 58 VAL H A 59 GLU H 1.0 . 4.76 1187 929 A 58 VAL H A 74 ALA HB% 1.0 . 4.60 1188 930 A 58 VAL HA A 58 VAL HG1% 1.0 . 3.28 1189 931 A 58 VAL HA A 58 VAL HG2% 1.0 . 3.28 1190 932 A 58 VAL HA A 58 VAL HG2% 1.0 . 2.75 1191 932 A 58 VAL HA A 58 VAL HG1% 1.0 . 2.75 1192 933 A 59 GLU H A 58 VAL HA 1.0 . 2.99 1193 934 A 58 VAL HA A 73 PRO HB2 1.0 . 5.50 1194 935 A 58 VAL HA A 73 PRO HB3 1.0 . 5.50 1195 936 A 58 VAL HA A 73 PRO HB2 1.0 . 4.81 1196 936 A 58 VAL HA A 73 PRO HB3 1.0 . 4.81 1197 937 A 58 VAL HA A 74 ALA H 1.0 . 4.28 1198 938 A 58 VAL HA A 74 ALA HB% 1.0 . 3.77 1199 939 A 58 VAL HG1% A 73 PRO HA 1.0 . 4.48 1200 940 A 58 VAL HG1% A 74 ALA H 1.0 . 5.50 1201 941 A 73 PRO HA A 58 VAL HG2% 1.0 . 4.48 1202 942 A 74 ALA H A 58 VAL HG2% 1.0 . 5.50 1203 943 A 59 GLU H A 58 VAL HG2% 1.0 . 3.17 1204 943 A 59 GLU H A 58 VAL HG1% 1.0 . 3.17 1205 944 A 60 VAL HA A 58 VAL HG2% 1.0 . 4.32 1206 944 A 60 VAL HA A 58 VAL HG1% 1.0 . 4.32 1207 945 A 73 PRO HA A 58 VAL HG2% 1.0 . 3.71 1208 945 A 58 VAL HG1% A 73 PRO HA 1.0 . 3.71 1209 946 A 59 GLU H A 59 GLU HG2 1.0 . 4.95 1210 947 A 59 GLU H A 59 GLU HG3 1.0 . 4.95 1211 948 A 59 GLU H A 59 GLU HG2 1.0 . 4.24 1212 948 A 59 GLU H A 59 GLU HG3 1.0 . 4.24 1213 949 A 59 GLU H A 72 GLU H 1.0 . 4.31 1214 950 A 59 GLU H A 73 PRO HA 1.0 . 5.50 1215 951 A 59 GLU H A 74 ALA H 1.0 . 4.11 1216 952 A 59 GLU H A 74 ALA HA 1.0 . 5.50 1217 953 A 59 GLU H A 74 ALA HB% 1.0 . 4.39 1218 954 A 59 GLU HA A 59 GLU HG2 1.0 . 4.13 1219 955 A 59 GLU HA A 59 GLU HG3 1.0 . 4.13 1220 956 A 60 VAL H A 59 GLU HA 1.0 . 3.21 1221 957 A 60 VAL H A 59 GLU HG2 1.0 . 5.50 1222 958 A 73 PRO HA A 59 GLU HG2 1.0 . 5.50 1223 959 A 74 ALA HA A 59 GLU HG2 1.0 . 5.50 1224 960 A 60 VAL H A 59 GLU HG3 1.0 . 5.50 1225 961 A 73 PRO HA A 59 GLU HG3 1.0 . 5.50 1226 962 A 59 GLU HG3 A 74 ALA HA 1.0 . 5.50 1227 963 A 74 ALA H A 59 GLU HB2 1.0 . 5.34 1228 963 A 74 ALA H A 59 GLU HB3 1.0 . 5.34 1229 964 A 74 ALA HB% A 59 GLU HB2 1.0 . 2.86 1230 964 A 74 ALA HB% A 59 GLU HB3 1.0 . 2.86 1231 965 A 74 ALA HA A 59 GLU HG2 1.0 . 4.63 1232 965 A 59 GLU HG3 A 74 ALA HA 1.0 . 4.63 1233 966 A 60 VAL HB A 60 VAL H 1.0 . 3.88 1234 967 A 60 VAL H A 60 VAL HG2% 1.0 . 3.39 1235 967 A 60 VAL H A 60 VAL HG1% 1.0 . 3.39 1236 968 A 60 VAL H A 61 HIS H 1.0 . 4.71 1237 969 A 60 VAL HA A 60 VAL HG1% 1.0 . 3.39 1238 970 A 60 VAL HA A 60 VAL HG2% 1.0 . 3.39 1239 971 A 60 VAL HA A 60 VAL HG2% 1.0 . 2.90 1240 971 A 60 VAL HA A 60 VAL HG1% 1.0 . 2.90 1241 972 A 60 VAL HA A 61 HIS H 1.0 . 3.05 1242 973 A 61 HIS HD2 A 60 VAL HA 1.0 . 5.36 1243 974 A 60 VAL HA A 71 THR HA 1.0 . 3.12 1244 975 A 60 VAL HA A 71 THR HG2% 1.0 . 3.70 1245 976 A 60 VAL HA A 72 GLU H 1.0 . 3.97 1246 977 A 60 VAL HB A 61 HIS H 1.0 . 4.39 1247 978 A 61 HIS HA A 60 VAL HB 1.0 . 5.50 1248 979 A 60 VAL HB A 70 ASP H 1.0 . 5.50 1249 980 A 60 VAL HB A 71 THR HA 1.0 . 5.32 1250 981 A 60 VAL HG1% A 71 THR HA 1.0 . 4.54 1251 982 A 71 THR HA A 60 VAL HG2% 1.0 . 4.54 1252 983 A 61 HIS H A 60 VAL HG2% 1.0 . 3.66 1253 983 A 60 VAL HG1% A 61 HIS H 1.0 . 3.66 1254 984 A 61 HIS HA A 60 VAL HG2% 1.0 . 4.21 1255 984 A 61 HIS HA A 60 VAL HG1% 1.0 . 4.21 1256 985 A 62 LEU HA A 60 VAL HG2% 1.0 . 5.44 1257 985 A 60 VAL HG1% A 62 LEU HA 1.0 . 5.44 1258 986 A 69 LEU H A 60 VAL HG2% 1.0 . 5.42 1259 986 A 60 VAL HG1% A 69 LEU H 1.0 . 5.42 1260 987 A 71 THR HA A 60 VAL HG2% 1.0 . 3.93 1261 987 A 60 VAL HG1% A 71 THR HA 1.0 . 3.93 1262 988 A 71 THR HG2% A 60 VAL HG2% 1.0 . 3.02 1263 988 A 60 VAL HG1% A 71 THR HG2% 1.0 . 3.02 1264 989 A 61 HIS H A 61 HIS HBx 1.0 . 3.56 1265 990 A 61 HIS HBy A 61 HIS H 1.0 . 3.85 1266 991 A 61 HIS HD2 A 61 HIS H 1.0 . 5.50 1267 992 A 62 LEU H A 61 HIS H 1.0 . 4.66 1268 993 A 61 HIS H A 68 VAL HA 1.0 . 5.14 1269 994 A 69 LEU HBx A 61 HIS H 1.0 . 5.24 1270 995 A 69 LEU HBy A 61 HIS H 1.0 . 5.50 1271 996 A 61 HIS H A 70 ASP H 1.0 . 4.04 1272 997 A 61 HIS H A 71 THR HA 1.0 . 4.03 1273 998 A 61 HIS HA A 61 HIS HD2 1.0 . 3.74 1274 999 A 69 LEU HBx A 61 HIS HA 1.0 . 4.30 1275 1000 A 61 HIS HA A 70 ASP H 1.0 . 5.50 1276 1001 A 62 LEU H A 61 HIS HBx 1.0 . 4.44 1277 1002 A 62 LEU HD1% A 61 HIS HBx 1.0 . 5.50 1278 1003 A 62 LEU HD2% A 61 HIS HBx 1.0 . 5.50 1279 1004 A 68 VAL HA A 61 HIS HBx 1.0 . 5.27 1280 1005 A 69 LEU H A 61 HIS HBx 1.0 . 5.14 1281 1006 A 69 LEU HBx A 61 HIS HBx 1.0 . 4.28 1282 1007 A 69 LEU HBy A 61 HIS HBx 1.0 . 4.43 1283 1008 A 69 LEU HG A 61 HIS HBx 1.0 . 4.40 1284 1009 A 70 ASP H A 61 HIS HBx 1.0 . 4.03 1285 1010 A 61 HIS HBy A 61 HIS HD2 1.0 . 3.96 1286 1011 A 61 HIS HBy A 62 LEU H 1.0 . 4.22 1287 1012 A 61 HIS HBy A 62 LEU HD2% 1.0 . 5.50 1288 1013 A 61 HIS HBy A 68 VAL HA 1.0 . 5.50 1289 1014 A 61 HIS HBy A 69 LEU H 1.0 . 5.32 1290 1015 A 61 HIS HBy A 69 LEU HA 1.0 . 5.10 1291 1016 A 61 HIS HBy A 69 LEU HBx 1.0 . 4.92 1292 1017 A 61 HIS HBy A 69 LEU HBy 1.0 . 5.26 1293 1018 A 69 LEU HG A 61 HIS HBy 1.0 . 3.39 1294 1019 A 62 LEU H A 61 HIS HD2 1.0 . 5.50 1295 1020 A 61 HIS HE1 A 70 ASP HBy 1.0 . 4.88 1296 1020 A 61 HIS HE1 A 70 ASP HBx 1.0 . 4.88 1297 1021 A 61 HIS HE1 A 72 GLU HG2 1.0 . 5.50 1298 1022 A 61 HIS HE1 A 72 GLU HG3 1.0 . 5.50 1299 1023 A 61 HIS HE1 A 72 GLU HBy 1.0 . 5.34 1300 1023 A 61 HIS HE1 A 72 GLU HBx 1.0 . 5.34 1301 1024 A 62 LEU H A 62 LEU HBx 1.0 . 4.02 1302 1025 A 62 LEU H A 62 LEU HBy 1.0 . 3.95 1303 1026 A 62 LEU H A 62 LEU HG 1.0 . 4.55 1304 1027 A 62 LEU H A 62 LEU HD2% 1.0 . 4.90 1305 1028 A 62 LEU H A 63 ASP H 1.0 . 4.55 1306 1029 A 62 LEU H A 68 VAL HA 1.0 . 5.50 1307 1030 A 62 LEU HG A 62 LEU HA 1.0 . 3.91 1308 1031 A 62 LEU HA A 62 LEU HD1% 1.0 . 2.40 1309 1032 A 63 ASP H A 62 LEU HA 1.0 . 3.23 1310 1033 A 66 PHE HA A 62 LEU HA 1.0 . 4.21 1311 1034 A 62 LEU HA A 68 VAL HA 1.0 . 3.25 1312 1035 A 62 LEU HA A 68 VAL HB 1.0 . 5.50 1313 1036 A 62 LEU HA A 69 LEU H 1.0 . 4.05 1314 1037 A 69 LEU HBx A 62 LEU HA 1.0 . 4.21 1315 1038 A 69 LEU HG A 62 LEU HA 1.0 . 4.97 1316 1039 A 70 ASP H A 62 LEU HA 1.0 . 5.50 1317 1040 A 62 LEU HBx A 62 LEU HD2% 1.0 . 3.96 1318 1041 A 62 LEU HBx A 63 ASP H 1.0 . 3.94 1319 1042 A 66 PHE HA A 62 LEU HBx 1.0 . 3.76 1320 1043 A 62 LEU HBx A 66 PHE HD2 1.0 . 5.50 1321 1044 A 66 PHE HEy A 62 LEU HBx 1.0 . 4.06 1322 1045 A 62 LEU HBy A 62 LEU HG 1.0 . 2.83 1323 1046 A 62 LEU HBy A 62 LEU HD1% 1.0 . 3.24 1324 1047 A 63 ASP H A 62 LEU HBy 1.0 . 3.33 1325 1048 A 66 PHE H A 62 LEU HBy 1.0 . 4.17 1326 1049 A 66 PHE HA A 62 LEU HBy 1.0 . 3.02 1327 1050 A 66 PHE HBx A 62 LEU HBy 1.0 . 5.09 1328 1051 A 66 PHE HBy A 62 LEU HBy 1.0 . 4.56 1329 1052 A 62 LEU HBy A 66 PHE HD2 1.0 . 2.64 1330 1053 A 66 PHE HEy A 62 LEU HBy 1.0 . 4.00 1331 1054 A 62 LEU HBy A 68 VAL HA 1.0 . 5.20 1332 1055 A 66 PHE HA A 62 LEU HG 1.0 . 3.73 1333 1056 A 66 PHE HBy A 62 LEU HG 1.0 . 4.77 1334 1057 A 62 LEU HG A 66 PHE HD2 1.0 . 3.94 1335 1058 A 66 PHE HEy A 62 LEU HG 1.0 . 3.06 1336 1059 A 66 PHE HZ A 62 LEU HG 1.0 . 5.50 1337 1060 A 63 ASP H A 62 LEU HD1% 1.0 . 4.06 1338 1061 A 66 PHE HA A 62 LEU HD1% 1.0 . 4.21 1339 1062 A 66 PHE HBx A 62 LEU HD1% 1.0 . 5.50 1340 1063 A 66 PHE HBy A 62 LEU HD1% 1.0 . 5.37 1341 1064 A 62 LEU HD1% A 66 PHE HD2 1.0 . 5.30 1342 1065 A 62 LEU HD1% A 67 ARG HA 1.0 . 4.29 1343 1066 A 68 VAL HA A 62 LEU HD1% 1.0 . 2.55 1344 1067 A 69 LEU H A 62 LEU HD1% 1.0 . 5.50 1345 1068 A 70 ASP H A 62 LEU HD1% 1.0 . 4.97 1346 1069 A 66 PHE HEy A 62 LEU HD2% 1.0 . 3.78 1347 1070 A 62 LEU HD2% A 70 ASP H 1.0 . 5.50 1348 1071 A 63 ASP HBy A 63 ASP H 1.0 . 4.01 1349 1072 A 63 ASP H A 63 ASP HBx 1.0 . 3.83 1350 1073 A 63 ASP H A 64 ARG H 1.0 . 4.63 1351 1074 A 66 PHE H A 63 ASP H 1.0 . 4.41 1352 1075 A 66 PHE HA A 63 ASP H 1.0 . 4.48 1353 1076 A 63 ASP H A 67 ARG H 1.0 . 3.67 1354 1077 A 63 ASP H A 68 VAL HA 1.0 . 5.45 1355 1078 A 63 ASP H A 69 LEU H 1.0 . 4.73 1356 1079 A 63 ASP HA A 64 ARG H 1.0 . 3.46 1357 1080 A 69 LEU HG A 63 ASP HA 1.0 . 4.10 1358 1081 A 63 ASP HA A 69 LEU HD2% 1.0 . 5.14 1359 1082 A 63 ASP HBy A 64 ARG H 1.0 . 3.11 1360 1083 A 63 ASP HBy A 64 ARG HGx 1.0 . 4.46 1361 1084 A 63 ASP HBy A 65 ASP H 1.0 . 4.34 1362 1085 A 63 ASP HBy A 69 LEU HBx 1.0 . 5.50 1363 1086 A 63 ASP HBy A 69 LEU HG 1.0 . 4.56 1364 1087 A 63 ASP HBy A 69 LEU HD2% 1.0 . 2.79 1365 1088 A 63 ASP HBx A 64 ARG H 1.0 . 3.79 1366 1089 A 63 ASP HBx A 65 ASP H 1.0 . 5.50 1367 1090 A 66 PHE H A 63 ASP HBx 1.0 . 5.50 1368 1091 A 63 ASP HBx A 67 ARG H 1.0 . 5.50 1369 1092 A 69 LEU HG A 63 ASP HBx 1.0 . 4.21 1370 1093 A 63 ASP HBx A 69 LEU HD2% 1.0 . 2.40 1371 1094 A 64 ARG H A 64 ARG HBx 1.0 . 3.28 1372 1095 A 64 ARG H A 64 ARG HBy 1.0 . 3.81 1373 1096 A 64 ARG H A 64 ARG HDx 1.0 . 5.50 1374 1097 A 64 ARG H A 64 ARG HDy 1.0 . 5.50 1375 1098 A 64 ARG H A 64 ARG HGy 1.0 . 2.77 1376 1099 A 64 ARG H A 64 ARG HGx 1.0 . 2.85 1377 1100 A 64 ARG H A 64 ARG HDy 1.0 . 4.81 1378 1100 A 64 ARG H A 64 ARG HDx 1.0 . 4.81 1379 1101 A 64 ARG H A 65 ASP H 1.0 . 3.55 1380 1102 A 66 PHE H A 64 ARG H 1.0 . 4.52 1381 1103 A 64 ARG HA A 64 ARG HDx 1.0 . 5.50 1382 1104 A 64 ARG HA A 64 ARG HDy 1.0 . 5.50 1383 1105 A 64 ARG HA A 64 ARG HGy 1.0 . 2.85 1384 1106 A 64 ARG HA A 64 ARG HDy 1.0 . 4.82 1385 1106 A 64 ARG HA A 64 ARG HDx 1.0 . 4.82 1386 1107 A 66 PHE H A 64 ARG HA 1.0 . 5.50 1387 1108 A 64 ARG HBx A 64 ARG HGx 1.0 . 2.40 1388 1109 A 64 ARG HBy A 64 ARG HDx 1.0 . 4.08 1389 1110 A 64 ARG HBy A 64 ARG HDy 1.0 . 4.08 1390 1111 A 64 ARG HBy A 64 ARG HGy 1.0 . 2.70 1391 1112 A 64 ARG HBy A 64 ARG HDy 1.0 . 3.49 1392 1112 A 64 ARG HBy A 64 ARG HDx 1.0 . 3.49 1393 1113 A 64 ARG HBy A 65 ASP H 1.0 . 4.25 1394 1114 A 65 ASP H A 64 ARG HGx 1.0 . 3.73 1395 1115 A 65 ASP H A 64 ARG HGx 1.0 . 4.15 1396 1115 A 65 ASP H A 64 ARG HGy 1.0 . 4.15 1397 1116 A 66 PHE H A 64 ARG HGx 1.0 . 5.15 1398 1116 A 66 PHE H A 64 ARG HGy 1.0 . 5.15 1399 1117 A 64 ARG HGx A 69 LEU HD2% 1.0 . 5.00 1400 1117 A 64 ARG HGy A 69 LEU HD2% 1.0 . 5.00 1401 1117 A 69 LEU HD1% A 64 ARG HGx 1.0 . 5.00 1402 1117 A 64 ARG HGy A 69 LEU HD1% 1.0 . 5.00 1403 1118 A 65 ASP HBx A 65 ASP H 1.0 . 3.67 1404 1119 A 65 ASP HBy A 65 ASP H 1.0 . 3.75 1405 1120 A 65 ASP H A 67 ARG HBy 1.0 . 5.34 1406 1120 A 65 ASP H A 67 ARG HBx 1.0 . 5.34 1407 1121 A 65 ASP HA A 66 PHE HBy 1.0 . 5.44 1408 1122 A 66 PHE HD1 A 65 ASP HA 1.0 . 5.50 1409 1123 A 65 ASP HA A 67 ARG H 1.0 . 4.78 1410 1124 A 65 ASP HBx A 67 ARG H 1.0 . 4.80 1411 1125 A 65 ASP HBx A 67 ARG HA 1.0 . 5.50 1412 1126 A 65 ASP HBy A 66 PHE H 1.0 . 4.77 1413 1127 A 66 PHE H A 66 PHE HBx 1.0 . 3.48 1414 1128 A 66 PHE H A 66 PHE HBy 1.0 . 4.02 1415 1129 A 66 PHE HD1 A 66 PHE H 1.0 . 5.50 1416 1130 A 66 PHE H A 66 PHE HD2 1.0 . 5.50 1417 1131 A 66 PHE H A 67 ARG H 1.0 . 3.25 1418 1132 A 66 PHE H A 67 ARG HBy 1.0 . 4.36 1419 1132 A 66 PHE H A 67 ARG HBx 1.0 . 4.36 1420 1133 A 66 PHE HA A 66 PHE HD2 1.0 . 4.31 1421 1134 A 66 PHE HEx A 66 PHE HA 1.0 . 5.50 1422 1135 A 66 PHE HBx A 67 ARG H 1.0 . 5.39 1423 1136 A 66 PHE HBy A 67 ARG H 1.0 . 4.83 1424 1137 A 67 ARG H A 67 ARG HBx 1.0 . 3.56 1425 1138 A 67 ARG H A 67 ARG HBy 1.0 . 3.56 1426 1139 A 67 ARG H A 67 ARG HD2 1.0 . 5.50 1427 1140 A 67 ARG H A 67 ARG HD3 1.0 . 5.50 1428 1141 A 67 ARG H A 67 ARG HG2 1.0 . 5.50 1429 1142 A 67 ARG H A 67 ARG HG3 1.0 . 5.50 1430 1143 A 67 ARG H A 67 ARG HBy 1.0 . 3.03 1431 1143 A 67 ARG H A 67 ARG HBx 1.0 . 3.03 1432 1144 A 67 ARG HA A 67 ARG HD2 1.0 . 5.04 1433 1145 A 67 ARG HA A 67 ARG HD3 1.0 . 5.04 1434 1146 A 67 ARG HA A 67 ARG HG3 1.0 . 3.10 1435 1146 A 67 ARG HA A 67 ARG HG2 1.0 . 3.10 1436 1147 A 67 ARG HA A 68 VAL H 1.0 . 2.86 1437 1148 A 68 VAL H A 67 ARG HD2 1.0 . 5.50 1438 1149 A 68 VAL H A 67 ARG HD3 1.0 . 5.50 1439 1150 A 67 ARG HBx A 67 ARG HD3 1.0 . 3.30 1440 1150 A 67 ARG HBy A 67 ARG HD3 1.0 . 3.30 1441 1150 A 67 ARG HD2 A 67 ARG HBy 1.0 . 3.30 1442 1150 A 67 ARG HBx A 67 ARG HD2 1.0 . 3.30 1443 1151 A 68 VAL H A 67 ARG HBy 1.0 . 3.96 1444 1151 A 67 ARG HBx A 68 VAL H 1.0 . 3.96 1445 1152 A 68 VAL H A 67 ARG HG3 1.0 . 2.53 1446 1152 A 67 ARG HG2 A 68 VAL H 1.0 . 2.53 1447 1153 A 68 VAL HB A 67 ARG HG3 1.0 . 5.19 1448 1153 A 68 VAL HB A 67 ARG HG2 1.0 . 5.19 1449 1154 A 67 ARG HG2 A 68 VAL HG2% 1.0 . 3.41 1450 1154 A 67 ARG HG3 A 68 VAL HG2% 1.0 . 3.41 1451 1154 A 68 VAL HG1% A 67 ARG HG3 1.0 . 3.41 1452 1154 A 67 ARG HG2 A 68 VAL HG1% 1.0 . 3.41 1453 1155 A 68 VAL HB A 68 VAL H 1.0 . 3.04 1454 1156 A 68 VAL H A 68 VAL HG2% 1.0 . 3.31 1455 1156 A 68 VAL H A 68 VAL HG1% 1.0 . 3.31 1456 1157 A 69 LEU H A 68 VAL H 1.0 . 4.56 1457 1158 A 68 VAL HA A 68 VAL HB 1.0 . 2.40 1458 1159 A 68 VAL HA A 68 VAL HG1% 1.0 . 3.45 1459 1160 A 68 VAL HA A 68 VAL HG2% 1.0 . 3.45 1460 1161 A 68 VAL HA A 68 VAL HG2% 1.0 . 2.41 1461 1161 A 68 VAL HA A 68 VAL HG1% 1.0 . 2.41 1462 1162 A 69 LEU H A 68 VAL HA 1.0 . 3.35 1463 1163 A 69 LEU HBx A 68 VAL HA 1.0 . 4.30 1464 1164 A 69 LEU HG A 68 VAL HA 1.0 . 5.50 1465 1165 A 70 ASP H A 68 VAL HA 1.0 . 4.23 1466 1166 A 69 LEU H A 68 VAL HB 1.0 . 4.73 1467 1167 A 70 ASP H A 68 VAL HB 1.0 . 5.50 1468 1168 A 69 LEU H A 68 VAL HG2% 1.0 . 2.69 1469 1168 A 69 LEU H A 68 VAL HG1% 1.0 . 2.69 1470 1169 A 70 ASP H A 68 VAL HG2% 1.0 . 2.74 1471 1169 A 70 ASP H A 68 VAL HG1% 1.0 . 2.74 1472 1170 A 68 VAL HG2% A 70 ASP HBy 1.0 . 5.28 1473 1170 A 68 VAL HG1% A 70 ASP HBy 1.0 . 5.28 1474 1170 A 70 ASP HBx A 68 VAL HG2% 1.0 . 5.28 1475 1170 A 70 ASP HBx A 68 VAL HG1% 1.0 . 5.28 1476 1171 A 69 LEU HBx A 69 LEU H 1.0 . 3.85 1477 1172 A 69 LEU HG A 69 LEU H 1.0 . 5.12 1478 1173 A 69 LEU H A 69 LEU HD2% 1.0 . 3.97 1479 1174 A 70 ASP H A 69 LEU H 1.0 . 3.36 1480 1175 A 69 LEU HG A 69 LEU HA 1.0 . 3.75 1481 1176 A 69 LEU HA A 69 LEU HD1% 1.0 . 2.71 1482 1177 A 69 LEU HA A 69 LEU HD2% 1.0 . 2.82 1483 1178 A 69 LEU HBx A 69 LEU HD2% 1.0 . 2.60 1484 1179 A 69 LEU HBx A 70 ASP H 1.0 . 3.61 1485 1180 A 69 LEU HBy A 69 LEU HD1% 1.0 . 2.77 1486 1181 A 69 LEU HBy A 70 ASP H 1.0 . 3.80 1487 1182 A 69 LEU HBy A 70 ASP HBy 1.0 . 4.17 1488 1182 A 69 LEU HBy A 70 ASP HBx 1.0 . 4.17 1489 1183 A 70 ASP HBx A 69 LEU HD2% 1.0 . 5.34 1490 1183 A 69 LEU HD2% A 70 ASP HBy 1.0 . 5.34 1491 1184 A 70 ASP H A 70 ASP HBy 1.0 . 3.70 1492 1184 A 70 ASP H A 70 ASP HBx 1.0 . 3.70 1493 1185 A 70 ASP H A 71 THR H 1.0 . 4.41 1494 1186 A 71 THR H A 70 ASP HA 1.0 . 2.98 1495 1187 A 70 ASP HBx A 71 THR H 1.0 . 4.26 1496 1188 A 71 THR H A 70 ASP HBy 1.0 . 4.26 1497 1189 A 71 THR H A 70 ASP HBy 1.0 . 3.67 1498 1189 A 70 ASP HBx A 71 THR H 1.0 . 3.67 1499 1190 A 71 THR H A 71 THR HB 1.0 . 3.98 1500 1191 A 71 THR HG2% A 71 THR H 1.0 . 3.92 1501 1192 A 72 GLU H A 71 THR H 1.0 . 4.31 1502 1193 A 71 THR HA A 71 THR HG2% 1.0 . 3.30 1503 1194 A 72 GLU H A 71 THR HA 1.0 . 2.72 1504 1195 A 71 THR HA A 72 GLU HBy 1.0 . 5.34 1505 1195 A 71 THR HA A 72 GLU HBx 1.0 . 5.34 1506 1196 A 72 GLU H A 71 THR HB 1.0 . 4.50 1507 1197 A 72 GLU H A 71 THR HG2% 1.0 . 4.33 1508 1198 A 72 GLU H A 72 GLU HG2 1.0 . 5.10 1509 1199 A 72 GLU H A 72 GLU HG3 1.0 . 5.10 1510 1200 A 72 GLU H A 72 GLU HBy 1.0 . 3.70 1511 1200 A 72 GLU H A 72 GLU HBx 1.0 . 3.70 1512 1201 A 72 GLU H A 72 GLU HG2 1.0 . 4.37 1513 1201 A 72 GLU H A 72 GLU HG3 1.0 . 4.37 1514 1202 A 72 GLU HA A 73 PRO HDx 1.0 . 2.93 1515 1203 A 72 GLU HA A 73 PRO HDy 1.0 . 2.99 1516 1204 A 73 PRO HA A 72 GLU HBy 1.0 . 4.69 1517 1204 A 73 PRO HA A 72 GLU HBx 1.0 . 4.69 1518 1205 A 73 PRO HDx A 72 GLU HBy 1.0 . 2.47 1519 1205 A 72 GLU HBx A 73 PRO HDx 1.0 . 2.47 1520 1206 A 74 ALA H A 73 PRO HA 1.0 . 2.75 1521 1207 A 74 ALA HB% A 73 PRO HA 1.0 . 4.43 1522 1208 A 74 ALA H A 73 PRO HDx 1.0 . 5.50 1523 1209 A 74 ALA H A 73 PRO HDy 1.0 . 5.50 1524 1210 A 74 ALA H A 73 PRO HGx 1.0 . 4.58 1525 1211 A 74 ALA H A 73 PRO HGy 1.0 . 5.26 1526 1212 A 74 ALA H A 74 ALA HB% 1.0 . 3.46 1527 1213 A 74 ALA HA A 75 ASP H 1.0 . 3.16 1528 1214 A 74 ALA HB% A 75 ASP H 1.0 . 3.55 1529 1215 A 75 ASP H A 75 ASP HBx 1.0 . 2.98 1530 1215 A 75 ASP H A 75 ASP HBy 1.0 . 2.98 1531 1216 A 76 GLY H A 75 ASP HBx 1.0 . 4.26 1532 1216 A 75 ASP HBy A 76 GLY H 1.0 . 4.26 1533 1217 A 77 ASP H A 77 ASP HBx 1.0 . 3.45 1534 1217 A 77 ASP H A 77 ASP HBy 1.0 . 3.45 1535 1218 A 77 ASP HA A 77 ASP HBx 1.0 . 3.40 1536 1218 A 77 ASP HBy A 77 ASP HA 1.0 . 3.40 1537 1219 A 79 GLY H A 78 GLY HA2 1.0 . 3.02 1538 1219 A 78 GLY HA3 A 79 GLY H 1.0 . 3.02 1539 1220 A 79 GLY H A 80 LEU H 1.0 . 4.39 1540 1221 A 80 LEU H A 80 LEU HG 1.0 . 5.50 1541 1222 A 80 LEU H A 80 LEU HBx 1.0 . 3.64 1542 1222 A 80 LEU H A 80 LEU HBy 1.0 . 3.64 1543 1223 A 80 LEU H A 80 LEU HD1% 1.0 . 4.56 1544 1224 A 80 LEU H A 80 LEU HD2% 1.0 . 4.00 1545 1225 A 80 LEU HA A 80 LEU HD1% 1.0 . 4.02 1546 1226 A 80 LEU HA A 80 LEU HD2% 1.0 . 3.67 1547 1227 A 80 LEU HG A 80 LEU HBx 1.0 . 2.90 1548 1228 A 80 LEU HBx A 80 LEU HD2% 1.0 . 2.29 1549 1228 A 80 LEU HBy A 80 LEU HD2% 1.0 . 2.29 1550 1228 A 80 LEU HD1% A 80 LEU HBx 1.0 . 2.29 1551 1228 A 80 LEU HBy A 80 LEU HD1% 1.0 . 2.29 1552 1229 A 81 GLU HA A 81 GLU HBx 1.0 . 2.51 1553 1229 A 81 GLU HA A 81 GLU HBy 1.0 . 2.51 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _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 31 THR N A 51 THR O 1.0 . 3.0 2 2 A 31 THR H A 51 THR O 1.0 . 2.0 3 3 A 31 THR O A 51 THR N 1.0 . 3.0 4 4 A 51 THR H A 31 THR O 1.0 . 2.0 5 5 A 33 GLY N A 49 LEU O 1.0 . 3.0 6 6 A 33 GLY H A 49 LEU O 1.0 . 2.0 stop_ save_ save_DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_4 _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 1 GLY C A 2 ALA N A 2 ALA CA A 2 ALA C 1.0 -142.5 -76.8 PHI 2 2 A 2 ALA N A 2 ALA CA A 2 ALA C A 3 MET N 1.0 88.4 181.8 PSI 3 3 A 2 ALA C A 3 MET N A 3 MET CA A 3 MET C 1.0 -157.6 -17.6 PHI 4 4 A 3 MET N A 3 MET CA A 3 MET C A 4 ALA N 1.0 78.6 186.1 PSI 5 5 A 3 MET C A 4 ALA N A 4 ALA CA A 4 ALA C 1.0 -169.1 -29.1 PHI 6 6 A 4 ALA N A 4 ALA CA A 4 ALA C A 5 PHE N 1.0 67.8 207.8 PSI 7 7 A 4 ALA C A 5 PHE N A 5 PHE CA A 5 PHE C 1.0 -184.0 -44.0 PHI 8 8 A 5 PHE N A 5 PHE CA A 5 PHE C A 6 ASP N 1.0 59.2 199.2 PSI 9 9 A 7 GLY C A 8 GLU N A 8 GLU CA A 8 GLU C 1.0 -170.0 -30.0 PHI 10 10 A 8 GLU N A 8 GLU CA A 8 GLU C A 9 ASP N 1.0 50.6 190.6 PSI 11 11 A 8 GLU C A 9 ASP N A 9 ASP CA A 9 ASP C 1.0 -108.6 -64.6 PHI 12 12 A 9 ASP N A 9 ASP CA A 9 ASP C A 10 GLU N 1.0 -8.8 4.6 PSI 13 13 A 9 ASP C A 10 GLU N A 10 GLU CA A 10 GLU C 1.0 -158.8 -35.7 PHI 14 14 A 10 GLU C A 11 VAL N A 11 VAL CA A 11 VAL C 1.0 -162.5 -59.9 PHI 15 15 A 11 VAL N A 11 VAL CA A 11 VAL C A 12 THR N 1.0 78.7 185.1 PSI 16 16 A 11 VAL C A 12 THR N A 12 THR CA A 12 THR C 1.0 -162.4 -94.5 PHI 17 17 A 13 GLY N A 13 GLY CA A 13 GLY C A 14 PRO N 1.0 66.2 206.2 PSI 18 18 A 14 PRO C A 15 ASP N A 15 ASP CA A 15 ASP C 1.0 -96.6 -42.6 PHI 19 19 A 15 ASP N A 15 ASP CA A 15 ASP C A 16 ALA N 1.0 -57.0 7.5 PSI 20 20 A 15 ASP C A 16 ALA N A 16 ALA CA A 16 ALA C 1.0 -81.9 -41.9 PHI 21 21 A 16 ALA N A 16 ALA CA A 16 ALA C A 17 ASP N 1.0 -62.2 -22.2 PSI 22 22 A 16 ALA C A 17 ASP N A 17 ASP CA A 17 ASP C 1.0 -85.2 -45.2 PHI 23 23 A 17 ASP N A 17 ASP CA A 17 ASP C A 18 ARG N 1.0 -56.8 -16.8 PSI 24 24 A 17 ASP C A 18 ARG N A 18 ARG CA A 18 ARG C 1.0 -84.0 -44.0 PHI 25 25 A 18 ARG N A 18 ARG CA A 18 ARG C A 19 ALA N 1.0 -62.8 -22.8 PSI 26 26 A 18 ARG C A 19 ALA N A 19 ALA CA A 19 ALA C 1.0 -83.7 -43.7 PHI 27 27 A 19 ALA N A 19 ALA CA A 19 ALA C A 20 ARG N 1.0 -61.6 -21.6 PSI 28 28 A 19 ALA C A 20 ARG N A 20 ARG CA A 20 ARG C 1.0 -81.1 -41.1 PHI 29 29 A 20 ARG N A 20 ARG CA A 20 ARG C A 21 ALA N 1.0 -65.9 -25.9 PSI 30 30 A 20 ARG C A 21 ALA N A 21 ALA CA A 21 ALA C 1.0 -80.1 -40.1 PHI 31 31 A 21 ALA N A 21 ALA CA A 21 ALA C A 22 ALA N 1.0 -57.2 -17.2 PSI 32 32 A 21 ALA C A 22 ALA N A 22 ALA CA A 22 ALA C 1.0 -85.6 -45.6 PHI 33 33 A 22 ALA N A 22 ALA CA A 22 ALA C A 23 ALA N 1.0 -66.1 -8.2 PSI 34 34 A 22 ALA C A 23 ALA N A 23 ALA CA A 23 ALA C 1.0 -85.0 -45.0 PHI 35 35 A 23 ALA N A 23 ALA CA A 23 ALA C A 24 VAL N 1.0 -61.6 -17.6 PSI 36 36 A 23 ALA C A 24 VAL N A 24 VAL CA A 24 VAL C 1.0 -82.8 -42.8 PHI 37 37 A 24 VAL N A 24 VAL CA A 24 VAL C A 25 GLN N 1.0 -59.4 -11.2 PSI 38 38 A 24 VAL C A 25 GLN N A 25 GLN CA A 25 GLN C 1.0 -111.2 -38.0 PHI 39 39 A 25 GLN N A 25 GLN CA A 25 GLN C A 26 ALA N 1.0 -53.8 -13.8 PSI 40 40 A 25 GLN C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -116.0 -67.4 PHI 41 41 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 VAL N 1.0 -33.8 30.0 PSI 42 42 A 26 ALA C A 27 VAL N A 27 VAL CA A 27 VAL C 1.0 -163.3 -77.6 PHI 43 43 A 27 VAL N A 27 VAL CA A 27 VAL C A 28 PRO N 1.0 37.2 164.7 PSI 44 44 A 29 GLY C A 30 GLY N A 30 GLY CA A 30 GLY C 1.0 -236.3 -96.3 PHI 45 45 A 30 GLY N A 30 GLY CA A 30 GLY C A 31 THR N 1.0 106.3 214.3 PSI 46 46 A 30 GLY C A 31 THR N A 31 THR CA A 31 THR C 1.0 -151.5 -78.4 PHI 47 47 A 31 THR N A 31 THR CA A 31 THR C A 32 ALA N 1.0 106.8 155.8 PSI 48 48 A 31 THR C A 32 ALA N A 32 ALA CA A 32 ALA C 1.0 -150.7 -55.0 PHI 49 49 A 32 ALA N A 32 ALA CA A 32 ALA C A 33 GLY N 1.0 100.6 150.3 PSI 50 50 A 32 ALA C A 33 GLY N A 33 GLY CA A 33 GLY C 1.0 -149.8 -87.9 PHI 51 51 A 33 GLY N A 33 GLY CA A 33 GLY C A 34 GLU N 1.0 102.4 160.4 PSI 52 52 A 33 GLY C A 34 GLU N A 34 GLU CA A 34 GLU C 1.0 -145.0 -55.4 PHI 53 53 A 34 GLU N A 34 GLU CA A 34 GLU C A 35 VAL N 1.0 106.5 158.4 PSI 54 54 A 34 GLU C A 35 VAL N A 35 VAL CA A 35 VAL C 1.0 -145.0 -91.9 PHI 55 55 A 35 VAL N A 35 VAL CA A 35 VAL C A 36 GLU N 1.0 113.0 153.0 PSI 56 56 A 35 VAL C A 36 GLU N A 36 GLU CA A 36 GLU C 1.0 -147.1 -107.1 PHI 57 57 A 36 GLU N A 36 GLU CA A 36 GLU C A 37 THR N 1.0 114.4 155.8 PSI 58 58 A 36 GLU C A 37 THR N A 37 THR CA A 37 THR C 1.0 -169.0 -75.1 PHI 59 59 A 37 THR N A 37 THR CA A 37 THR C A 38 GLU N 1.0 105.3 175.6 PSI 60 60 A 37 THR C A 38 GLU N A 38 GLU CA A 38 GLU C 1.0 -173.9 -68.2 PHI 61 61 A 38 GLU N A 38 GLU CA A 38 GLU C A 39 THR N 1.0 85.9 191.0 PSI 62 62 A 38 GLU C A 39 THR N A 39 THR CA A 39 THR C 1.0 -193.8 -62.7 PHI 63 63 A 39 THR N A 39 THR CA A 39 THR C A 40 GLY N 1.0 118.6 173.4 PSI 64 64 A 40 GLY C A 41 GLU N A 41 GLU CA A 41 GLU C 1.0 -168.7 -33.7 PHI 65 65 A 41 GLU N A 41 GLU CA A 41 GLU C A 42 GLY N 1.0 114.7 177.1 PSI 66 66 A 43 ALA C A 44 ALA N A 44 ALA CA A 44 ALA C 1.0 -176.7 -36.7 PHI 67 67 A 44 ALA N A 44 ALA CA A 44 ALA C A 45 ALA N 1.0 73.8 197.4 PSI 68 68 A 45 ALA C A 46 TYR N A 46 TYR CA A 46 TYR C 1.0 -159.4 -115.7 PHI 69 69 A 46 TYR N A 46 TYR CA A 46 TYR C A 47 GLY N 1.0 133.8 173.8 PSI 70 70 A 46 TYR C A 47 GLY N A 47 GLY CA A 47 GLY C 1.0 -147.1 -107.1 PHI 71 71 A 47 GLY N A 47 GLY CA A 47 GLY C A 48 VAL N 1.0 114.4 155.8 PSI 72 72 A 47 GLY C A 48 VAL N A 48 VAL CA A 48 VAL C 1.0 -157.8 -80.6 PHI 73 73 A 48 VAL N A 48 VAL CA A 48 VAL C A 49 LEU N 1.0 95.7 156.3 PSI 74 74 A 48 VAL C A 49 LEU N A 49 LEU CA A 49 LEU C 1.0 -134.6 -79.3 PHI 75 75 A 49 LEU N A 49 LEU CA A 49 LEU C A 50 VAL N 1.0 99.3 143.2 PSI 76 76 A 49 LEU C A 50 VAL N A 50 VAL CA A 50 VAL C 1.0 -146.6 -92.4 PHI 77 77 A 50 VAL N A 50 VAL CA A 50 VAL C A 51 THR N 1.0 102.2 158.9 PSI 78 78 A 50 VAL C A 51 THR N A 51 THR CA A 51 THR C 1.0 -136.1 -92.7 PHI 79 79 A 51 THR N A 51 THR CA A 51 THR C A 52 ARG N 1.0 95.1 142.9 PSI 80 80 A 51 THR C A 52 ARG N A 52 ARG CA A 52 ARG C 1.0 -152.0 -12.0 PHI 81 81 A 52 ARG N A 52 ARG CA A 52 ARG C A 53 PRO N 1.0 74.5 214.5 PSI 82 82 A 53 PRO C A 54 ASP N A 54 ASP CA A 54 ASP C 1.0 -108.6 -64.6 PHI 83 83 A 54 ASP N A 54 ASP CA A 54 ASP C A 55 GLY N 1.0 -26.8 22.6 PSI 84 84 A 54 ASP C A 55 GLY N A 55 GLY CA A 55 GLY C 1.0 63.0 122.5 PHI 85 85 A 55 GLY N A 55 GLY CA A 55 GLY C A 56 THR N 1.0 -32.7 31.8 PSI 86 86 A 55 GLY C A 56 THR N A 56 THR CA A 56 THR C 1.0 -155.9 -61.4 PHI 87 87 A 56 THR N A 56 THR CA A 56 THR C A 57 ARG N 1.0 79.6 219.6 PSI 88 88 A 56 THR C A 57 ARG N A 57 ARG CA A 57 ARG C 1.0 -158.6 -104.1 PHI 89 89 A 57 ARG N A 57 ARG CA A 57 ARG C A 58 VAL N 1.0 120.6 171.7 PSI 90 90 A 57 ARG C A 58 VAL N A 58 VAL CA A 58 VAL C 1.0 -169.2 -99.5 PHI 91 91 A 58 VAL N A 58 VAL CA A 58 VAL C A 59 GLU N 1.0 114.8 164.8 PSI 92 92 A 58 VAL C A 59 GLU N A 59 GLU CA A 59 GLU C 1.0 -136.9 -79.2 PHI 93 93 A 59 GLU N A 59 GLU CA A 59 GLU C A 60 VAL N 1.0 99.1 139.9 PSI 94 94 A 59 GLU C A 60 VAL N A 60 VAL CA A 60 VAL C 1.0 -136.4 -86.1 PHI 95 95 A 60 VAL N A 60 VAL CA A 60 VAL C A 61 HIS N 1.0 108.8 148.8 PSI 96 96 A 60 VAL C A 61 HIS N A 61 HIS CA A 61 HIS C 1.0 -152.7 -79.8 PHI 97 97 A 61 HIS N A 61 HIS CA A 61 HIS C A 62 LEU N 1.0 97.5 157.7 PSI 98 98 A 61 HIS C A 62 LEU N A 62 LEU CA A 62 LEU C 1.0 -149.8 -109.8 PHI 99 99 A 62 LEU N A 62 LEU CA A 62 LEU C A 63 ASP N 1.0 130.0 170.0 PSI 100 100 A 62 LEU C A 63 ASP N A 63 ASP CA A 63 ASP C 1.0 -146.6 -92.4 PHI 101 101 A 64 ARG C A 65 ASP N A 65 ASP CA A 65 ASP C 1.0 -126.4 -77.3 PHI 102 102 A 65 ASP N A 65 ASP CA A 65 ASP C A 66 PHE N 1.0 -1.2 38.8 PSI 103 103 A 65 ASP C A 66 PHE N A 66 PHE CA A 66 PHE C 1.0 39.2 79.2 PHI 104 104 A 66 PHE N A 66 PHE CA A 66 PHE C A 67 ARG N 1.0 3.3 59.6 PSI 105 105 A 67 ARG C A 68 VAL N A 68 VAL CA A 68 VAL C 1.0 -115.9 -56.5 PHI 106 106 A 68 VAL N A 68 VAL CA A 68 VAL C A 69 LEU N 1.0 59.3 199.3 PSI 107 107 A 68 VAL C A 69 LEU N A 69 LEU CA A 69 LEU C 1.0 -115.2 -70.0 PHI 108 108 A 69 LEU N A 69 LEU CA A 69 LEU C A 70 ASP N 1.0 -63.8 -3.6 PSI 109 109 A 69 LEU C A 70 ASP N A 70 ASP CA A 70 ASP C 1.0 -194.4 -119.9 PHI 110 110 A 70 ASP N A 70 ASP CA A 70 ASP C A 71 THR N 1.0 139.8 179.8 PSI 111 111 A 70 ASP C A 71 THR N A 71 THR CA A 71 THR C 1.0 -167.8 -88.6 PHI 112 112 A 71 THR N A 71 THR CA A 71 THR C A 72 GLU N 1.0 109.6 182.4 PSI 113 113 A 71 THR C A 72 GLU N A 72 GLU CA A 72 GLU C 1.0 -161.3 -54.4 PHI 114 114 A 72 GLU N A 72 GLU CA A 72 GLU C A 73 PRO N 1.0 48.1 178.5 PSI 115 115 A 73 PRO C A 74 ALA N A 74 ALA CA A 74 ALA C 1.0 -142.5 -76.8 PHI 116 116 A 74 ALA N A 74 ALA CA A 74 ALA C A 75 ASP N 1.0 88.4 181.8 PSI 117 117 A 74 ALA C A 75 ASP N A 75 ASP CA A 75 ASP C 1.0 -167.7 -88.0 PHI 118 118 A 75 ASP N A 75 ASP CA A 75 ASP C A 76 GLY N 1.0 109.6 182.4 PSI 119 119 A 76 GLY C A 77 ASP N A 77 ASP CA A 77 ASP C 1.0 -96.6 -42.6 PHI 120 120 A 77 ASP N A 77 ASP CA A 77 ASP C A 78 GLY N 1.0 -57.0 7.5 PSI 121 121 A 78 GLY C A 79 GLY N A 79 GLY CA A 79 GLY C 1.0 -184.9 -44.9 PHI 122 122 A 79 GLY N A 79 GLY CA A 79 GLY C A 80 LEU N 1.0 75.1 215.1 PSI 123 123 A 79 GLY C A 80 LEU N A 80 LEU CA A 80 LEU C 1.0 -158.7 -40.9 PHI 124 124 A 80 LEU N A 80 LEU CA A 80 LEU C A 81 GLU N 1.0 93.1 155.7 PSI stop_ save_