data_nef_c16062_2kc6 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 PDB 2nsv BMRB 7326 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 11 CYS SG 1 37 CYS SG 1 23 CYS SG 1 33 CYS SG 1 34 CYS SG 1 46 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 ASN start . . 2 A 2 PRO middle . false 3 A 3 GLU middle . . 4 A 4 ASP middle . . 5 A 5 TRP middle . . 6 A 6 PHE middle . . 7 A 7 THR middle . . 8 A 8 PRO middle . false 9 A 9 ASP middle . . 10 A 10 THR middle . . 11 A 11 CYS middle -HG . 12 A 12 ALA middle . . 13 A 13 TYR middle . . 14 A 14 GLY middle . false 15 A 15 ASP middle . . 16 A 16 SER middle . . 17 A 17 ASN middle . . 18 A 18 THR middle . . 19 A 19 ALA middle . . 20 A 20 TRP middle . . 21 A 21 THR middle . . 22 A 22 THR middle . . 23 A 23 CYS middle -HG . 24 A 24 THR middle . . 25 A 25 THR middle . . 26 A 26 PRO middle . false 27 A 27 GLY middle . false 28 A 28 GLN middle . . 29 A 29 THR middle . . 30 A 30 CYS middle . . 31 A 31 TYR middle . . 32 A 32 THR middle . . 33 A 33 CYS middle -HG . 34 A 34 CYS middle -HG . 35 A 35 SER middle . . 36 A 36 SER middle . . 37 A 37 CYS middle -HG . 38 A 38 PHE middle . . 39 A 39 ASP middle . . 40 A 40 VAL middle . . 41 A 41 VAL middle . . 42 A 42 GLY middle . false 43 A 43 GLU middle . . 44 A 44 GLN middle . . 45 A 45 ALA middle . . 46 A 46 CYS middle -HG . 47 A 47 GLN middle . . 48 A 48 MET middle . . 49 A 49 SER middle . . 50 A 50 ALA middle . . 51 A 51 GLN middle . . 52 A 52 CYS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 ASN HA H 1 3.402 0.008 A 1 ASN HBx H 1 2.565 0.008 A 1 ASN HBy H 1 2.565 0.008 A 1 ASN HD2x H 1 6.836 0.008 A 1 ASN HD2y H 1 7.522 0.008 A 1 ASN CA C 13 51.070 0.200 A 1 ASN CB C 13 35.185 0.200 A 2 PRO HA H 1 3.996 0.008 A 2 PRO HBy H 1 2.273 0.008 A 2 PRO HBx H 1 1.776 0.008 A 2 PRO HDy H 1 3.151 0.008 A 2 PRO HDx H 1 2.900 0.008 A 2 PRO HGy H 1 1.272 0.008 A 2 PRO HGx H 1 0.524 0.008 A 2 PRO CA C 13 66.442 0.200 A 2 PRO CB C 13 30.824 0.200 A 2 PRO CD C 13 49.196 0.200 A 2 PRO CG C 13 26.324 0.200 A 3 GLU H H 1 8.359 0.008 A 3 GLU HA H 1 4.085 0.008 A 3 GLU HBx H 1 1.890 0.008 A 3 GLU HBy H 1 1.890 0.008 A 3 GLU HGy H 1 2.278 0.008 A 3 GLU HGx H 1 2.232 0.008 A 3 GLU CA C 13 58.481 0.200 A 3 GLU CB C 13 28.167 0.200 A 3 GLU CG C 13 34.602 0.200 A 4 ASP H H 1 7.555 0.008 A 4 ASP HA H 1 4.379 0.008 A 4 ASP HBy H 1 2.549 0.008 A 4 ASP HBx H 1 1.882 0.008 A 4 ASP CA C 13 55.752 0.200 A 4 ASP CB C 13 40.237 0.200 A 5 TRP H H 1 7.357 0.008 A 5 TRP HA H 1 5.331 0.008 A 5 TRP HBy H 1 3.804 0.008 A 5 TRP HBx H 1 3.538 0.008 A 5 TRP HD1 H 1 7.578 0.008 A 5 TRP HE1 H 1 10.493 0.008 A 5 TRP HE3 H 1 6.950 0.008 A 5 TRP HH2 H 1 6.978 0.008 A 5 TRP HZ2 H 1 7.393 0.008 A 5 TRP HZ3 H 1 6.531 0.008 A 5 TRP CA C 13 54.949 0.200 A 5 TRP CB C 13 31.983 0.200 A 5 TRP CD1 C 13 126.168 0.200 A 5 TRP CE3 C 13 119.114 0.200 A 5 TRP CH2 C 13 122.654 0.200 A 5 TRP CZ2 C 13 113.276 0.200 A 5 TRP CZ3 C 13 120.458 0.200 A 6 PHE H H 1 7.664 0.008 A 6 PHE HA H 1 5.144 0.008 A 6 PHE HBy H 1 3.821 0.008 A 6 PHE HBx H 1 3.184 0.008 A 6 PHE HDx H 1 7.407 0.008 A 6 PHE HDy H 1 7.407 0.008 A 6 PHE HEx H 1 7.503 0.008 A 6 PHE HEy H 1 7.503 0.008 A 6 PHE HZ H 1 7.091 0.008 A 6 PHE CB C 13 39.765 0.200 A 6 PHE CDx C 13 131.468 0.200 A 6 PHE CEx C 13 130.650 0.200 A 6 PHE CZ C 13 128.515 0.200 A 7 THR H H 1 8.099 0.008 A 7 THR HA H 1 4.628 0.008 A 7 THR HB H 1 4.171 0.008 A 7 THR HG2% H 1 1.023 0.008 A 7 THR CA C 13 53.988 0.200 A 7 THR CB C 13 69.001 0.200 A 7 THR CG2 C 13 18.464 0.200 A 8 PRO HA H 1 3.311 0.008 A 8 PRO HBy H 1 2.169 0.008 A 8 PRO HBx H 1 1.872 0.008 A 8 PRO HDy H 1 3.684 0.008 A 8 PRO HDx H 1 2.700 0.008 A 8 PRO HGy H 1 1.961 0.008 A 8 PRO HGx H 1 1.835 0.008 A 8 PRO CA C 13 63.015 0.200 A 8 PRO CB C 13 31.169 0.200 A 8 PRO CD C 13 50.659 0.200 A 8 PRO CG C 13 25.673 0.200 A 9 ASP H H 1 8.798 0.008 A 9 ASP HA H 1 4.249 0.008 A 9 ASP HBx H 1 2.618 0.008 A 9 ASP HBy H 1 2.670 0.008 A 9 ASP CA C 13 56.899 0.200 A 9 ASP CB C 13 39.412 0.200 A 10 THR H H 1 6.936 0.008 A 10 THR HA H 1 4.405 0.008 A 10 THR HB H 1 4.578 0.008 A 10 THR HG2% H 1 1.067 0.008 A 10 THR CA C 13 59.512 0.200 A 10 THR CB C 13 68.463 0.200 A 10 THR CG2 C 13 21.078 0.200 A 11 CYS H H 1 7.158 0.008 A 11 CYS HA H 1 4.563 0.008 A 11 CYS HBy H 1 3.439 0.008 A 11 CYS HBx H 1 2.883 0.008 A 11 CYS CB C 13 40.355 0.200 A 12 ALA H H 1 8.807 0.008 A 12 ALA HA H 1 3.909 0.008 A 12 ALA HB% H 1 0.727 0.008 A 12 ALA CA C 13 52.884 0.200 A 12 ALA CB C 13 17.564 0.200 A 13 TYR H H 1 7.510 0.008 A 13 TYR HA H 1 4.841 0.008 A 13 TYR HBy H 1 3.302 0.008 A 13 TYR HBx H 1 2.677 0.008 A 13 TYR HDx H 1 7.136 0.008 A 13 TYR HDy H 1 7.136 0.008 A 13 TYR HEx H 1 7.056 0.008 A 13 TYR HEy H 1 7.056 0.008 A 13 TYR CB C 13 38.900 0.200 A 13 TYR CDx C 13 131.957 0.200 A 13 TYR CEx C 13 118.049 0.200 A 14 GLY H H 1 9.002 0.008 A 14 GLY HAy H 1 4.144 0.008 A 14 GLY HAx H 1 3.971 0.008 A 14 GLY CA C 13 46.044 0.200 A 15 ASP H H 1 7.322 0.008 A 15 ASP HA H 1 4.789 0.008 A 15 ASP HBx H 1 2.678 0.008 A 15 ASP HBy H 1 2.788 0.008 A 15 ASP CB C 13 43.563 0.200 A 16 SER H H 1 8.796 0.008 A 16 SER HA H 1 3.006 0.008 A 16 SER HBx H 1 3.285 0.008 A 16 SER HBy H 1 3.539 0.008 A 16 SER CA C 13 61.150 0.200 A 16 SER CB C 13 61.849 0.200 A 17 ASN H H 1 8.281 0.008 A 17 ASN HA H 1 4.679 0.008 A 17 ASN HBx H 1 2.841 0.008 A 17 ASN HBy H 1 2.841 0.008 A 17 ASN HD2x H 1 7.158 0.008 A 17 ASN HD2y H 1 7.973 0.008 A 17 ASN CA C 13 56.624 0.200 A 17 ASN CB C 13 38.066 0.200 A 18 THR H H 1 9.130 0.008 A 18 THR HA H 1 3.888 0.008 A 18 THR HB H 1 3.958 0.008 A 18 THR HG2% H 1 1.187 0.008 A 18 THR CA C 13 65.897 0.200 A 18 THR CB C 13 67.277 0.200 A 18 THR CG2 C 13 21.119 0.200 A 19 ALA H H 1 8.516 0.008 A 19 ALA HA H 1 4.049 0.008 A 19 ALA HB% H 1 1.751 0.008 A 19 ALA CA C 13 55.280 0.200 A 19 ALA CB C 13 19.411 0.200 A 20 TRP H H 1 9.036 0.008 A 20 TRP HA H 1 4.110 0.008 A 20 TRP HBy H 1 3.489 0.008 A 20 TRP HBx H 1 3.488 0.008 A 20 TRP HD1 H 1 7.066 0.008 A 20 TRP HE1 H 1 10.318 0.008 A 20 TRP HE3 H 1 6.682 0.008 A 20 TRP HH2 H 1 6.772 0.008 A 20 TRP HZ2 H 1 7.478 0.008 A 20 TRP HZ3 H 1 6.408 0.008 A 20 TRP CA C 13 61.191 0.200 A 20 TRP CB C 13 28.615 0.200 A 20 TRP CD1 C 13 125.983 0.200 A 20 TRP CE3 C 13 118.939 0.200 A 20 TRP CH2 C 13 122.121 0.200 A 20 TRP CZ2 C 13 113.586 0.200 A 20 TRP CZ3 C 13 119.182 0.200 A 21 THR H H 1 8.630 0.008 A 21 THR HA H 1 3.650 0.008 A 21 THR HB H 1 4.153 0.008 A 21 THR HG2% H 1 1.255 0.008 A 21 THR CA C 13 66.297 0.200 A 21 THR CB C 13 68.329 0.200 A 21 THR CG2 C 13 21.355 0.200 A 22 THR H H 1 8.509 0.008 A 22 THR HA H 1 3.605 0.008 A 22 THR HB H 1 3.491 0.008 A 22 THR HG2% H 1 0.773 0.008 A 22 THR CA C 13 66.625 0.200 A 22 THR CB C 13 67.818 0.200 A 22 THR CG2 C 13 20.772 0.200 A 23 CYS H H 1 8.357 0.008 A 23 CYS HA H 1 4.332 0.008 A 23 CYS HBy H 1 3.234 0.008 A 23 CYS HBx H 1 2.808 0.008 A 23 CYS CA C 13 57.046 0.200 A 23 CYS CB C 13 40.331 0.200 A 24 THR H H 1 7.178 0.008 A 24 THR HA H 1 4.437 0.008 A 24 THR HB H 1 4.186 0.008 A 24 THR HG2% H 1 0.309 0.008 A 24 THR CA C 13 60.381 0.200 A 24 THR CB C 13 70.672 0.200 A 24 THR CG2 C 13 20.507 0.200 A 25 THR H H 1 7.220 0.008 A 25 THR HA H 1 5.154 0.008 A 25 THR HB H 1 4.313 0.008 A 25 THR HG2% H 1 1.339 0.008 A 25 THR CA C 13 59.059 0.200 A 25 THR CB C 13 69.107 0.200 A 25 THR CG2 C 13 20.728 0.200 A 26 PRO HA H 1 4.549 0.008 A 26 PRO HBx H 1 1.859 0.008 A 26 PRO HBy H 1 2.313 0.008 A 26 PRO HDy H 1 4.203 0.008 A 26 PRO HDx H 1 3.601 0.008 A 26 PRO HGx H 1 2.127 0.008 A 26 PRO HGy H 1 2.127 0.008 A 26 PRO CA C 13 64.733 0.200 A 26 PRO CB C 13 32.055 0.200 A 26 PRO CD C 13 50.249 0.200 A 26 PRO CG C 13 27.425 0.200 A 27 GLY H H 1 9.118 0.008 A 27 GLY HAy H 1 4.555 0.008 A 27 GLY HAx H 1 3.937 0.008 A 27 GLY CA C 13 43.918 0.200 A 28 GLN H H 1 8.971 0.008 A 28 GLN HA H 1 4.167 0.008 A 28 GLN HBx H 1 2.200 0.008 A 28 GLN HBy H 1 2.200 0.008 A 28 GLN HE2y H 1 7.773 0.008 A 28 GLN HE2x H 1 7.043 0.008 A 28 GLN HGx H 1 2.505 0.008 A 28 GLN HGy H 1 2.543 0.008 A 28 GLN CA C 13 58.650 0.200 A 28 GLN CB C 13 28.853 0.200 A 28 GLN CG C 13 33.066 0.200 A 29 THR H H 1 8.533 0.008 A 29 THR HA H 1 4.499 0.008 A 29 THR HB H 1 4.602 0.008 A 29 THR HG2% H 1 1.184 0.008 A 29 THR CA C 13 59.513 0.200 A 29 THR CB C 13 68.879 0.200 A 29 THR CG2 C 13 21.561 0.200 A 30 CYS H H 1 7.040 0.008 A 30 CYS HA H 1 3.823 0.008 A 30 CYS HBy H 1 3.760 0.008 A 30 CYS HBx H 1 2.950 0.008 A 30 CYS CA C 13 59.787 0.200 A 30 CYS CB C 13 41.483 0.200 A 31 TYR H H 1 9.732 0.008 A 31 TYR HA H 1 3.780 0.008 A 31 TYR HBx H 1 3.299 0.008 A 31 TYR HBy H 1 4.133 0.008 A 31 TYR HDx H 1 7.044 0.008 A 31 TYR HDy H 1 7.044 0.008 A 31 TYR HEx H 1 6.845 0.008 A 31 TYR HEy H 1 6.845 0.008 A 31 TYR CA C 13 64.210 0.200 A 31 TYR CB C 13 39.118 0.200 A 31 TYR CDx C 13 132.153 0.200 A 31 TYR CEx C 13 117.389 0.200 A 32 THR H H 1 9.792 0.008 A 32 THR HA H 1 4.050 0.008 A 32 THR HB H 1 4.078 0.008 A 32 THR HG2% H 1 1.387 0.008 A 32 THR CA C 13 66.055 0.200 A 32 THR CB C 13 68.541 0.200 A 32 THR CG2 C 13 21.844 0.200 A 33 CYS H H 1 8.845 0.008 A 33 CYS HA H 1 4.948 0.008 A 33 CYS HBy H 1 4.005 0.008 A 33 CYS HBx H 1 3.438 0.008 A 33 CYS CB C 13 37.503 0.200 A 34 CYS H H 1 8.129 0.008 A 34 CYS HA H 1 4.718 0.008 A 34 CYS HBy H 1 3.237 0.008 A 34 CYS HBx H 1 2.901 0.008 A 34 CYS CB C 13 33.988 0.200 A 35 SER H H 1 7.542 0.008 A 35 SER HA H 1 4.404 0.008 A 35 SER HBy H 1 4.058 0.008 A 35 SER HBx H 1 3.908 0.008 A 35 SER CA C 13 59.877 0.200 A 35 SER CB C 13 63.139 0.200 A 36 SER H H 1 7.129 0.008 A 36 SER HA H 1 4.692 0.008 A 36 SER HBy H 1 4.323 0.008 A 36 SER HBx H 1 3.766 0.008 A 36 SER CB C 13 62.611 0.200 A 37 CYS H H 1 7.752 0.008 A 37 CYS HA H 1 4.464 0.008 A 37 CYS HBy H 1 3.173 0.008 A 37 CYS HBx H 1 2.723 0.008 A 37 CYS CA C 13 59.010 0.200 A 37 CYS CB C 13 48.093 0.200 A 38 PHE H H 1 7.013 0.008 A 38 PHE HA H 1 5.633 0.008 A 38 PHE HBy H 1 3.166 0.008 A 38 PHE HBx H 1 2.956 0.008 A 38 PHE HDx H 1 7.717 0.008 A 38 PHE HDy H 1 7.717 0.008 A 38 PHE HEx H 1 7.717 0.008 A 38 PHE HEy H 1 7.717 0.008 A 38 PHE CA C 13 55.379 0.200 A 38 PHE CB C 13 42.836 0.200 A 38 PHE CDx C 13 132.727 0.200 A 38 PHE CEx C 13 129.169 0.200 A 38 PHE CZ C 13 131.171 0.200 A 39 ASP H H 1 8.871 0.008 A 39 ASP HA H 1 4.392 0.008 A 39 ASP HBx H 1 2.779 0.008 A 39 ASP HBy H 1 3.411 0.008 A 39 ASP CA C 13 52.467 0.200 A 39 ASP CB C 13 39.511 0.200 A 40 VAL H H 1 8.003 0.008 A 40 VAL HA H 1 3.985 0.008 A 40 VAL HB H 1 2.184 0.008 A 40 VAL HGx% H 1 1.034 0.008 A 40 VAL HGy% H 1 1.079 0.008 A 40 VAL CA C 13 65.558 0.200 A 40 VAL CB C 13 29.014 0.200 A 40 VAL CGx C 13 20.050 0.200 A 40 VAL CGy C 13 20.509 0.200 A 41 VAL H H 1 7.493 0.008 A 41 VAL HA H 1 3.528 0.008 A 41 VAL HB H 1 1.865 0.008 A 41 VAL HGx% H 1 0.972 0.008 A 41 VAL HGy% H 1 0.555 0.008 A 41 VAL CA C 13 65.014 0.200 A 41 VAL CB C 13 31.518 0.200 A 41 VAL CGy C 13 21.746 0.200 A 41 VAL CGx C 13 20.678 0.200 A 42 GLY H H 1 8.730 0.008 A 42 GLY HAx H 1 2.573 0.008 A 42 GLY HAy H 1 3.224 0.008 A 42 GLY CA C 13 47.496 0.200 A 43 GLU H H 1 10.197 0.008 A 43 GLU HA H 1 3.776 0.008 A 43 GLU HBy H 1 2.134 0.008 A 43 GLU HBx H 1 2.011 0.008 A 43 GLU HGy H 1 1.718 0.008 A 43 GLU HGx H 1 1.623 0.008 A 43 GLU CA C 13 58.892 0.200 A 43 GLU CB C 13 29.300 0.200 A 43 GLU CG C 13 34.837 0.200 A 44 GLN H H 1 6.648 0.008 A 44 GLN HA H 1 4.028 0.008 A 44 GLN HBx H 1 2.059 0.008 A 44 GLN HBy H 1 2.059 0.008 A 44 GLN HE2y H 1 7.731 0.008 A 44 GLN HE2x H 1 6.920 0.008 A 44 GLN HGx H 1 2.378 0.008 A 44 GLN HGy H 1 2.538 0.008 A 44 GLN CA C 13 57.875 0.200 A 44 GLN CB C 13 27.790 0.200 A 44 GLN CG C 13 33.648 0.200 A 45 ALA H H 1 7.131 0.008 A 45 ALA HA H 1 4.076 0.008 A 45 ALA HB% H 1 1.253 0.008 A 45 ALA CA C 13 54.601 0.200 A 45 ALA CB C 13 17.623 0.200 A 46 CYS H H 1 8.934 0.008 A 46 CYS HA H 1 3.116 0.008 A 46 CYS HBx H 1 2.310 0.008 A 46 CYS HBy H 1 2.310 0.008 A 46 CYS CA C 13 58.321 0.200 A 47 GLN H H 1 8.360 0.008 A 47 GLN HA H 1 3.352 0.008 A 47 GLN HBx H 1 1.776 0.008 A 47 GLN HBy H 1 2.276 0.008 A 47 GLN HE2x H 1 6.582 0.008 A 47 GLN HE2y H 1 7.613 0.008 A 47 GLN HGy H 1 2.250 0.008 A 47 GLN HGx H 1 0.908 0.008 A 47 GLN CA C 13 58.364 0.200 A 47 GLN CB C 13 26.924 0.200 A 47 GLN CG C 13 32.890 0.200 A 48 MET H H 1 8.112 0.008 A 48 MET HA H 1 4.379 0.008 A 48 MET HBx H 1 2.229 0.008 A 48 MET HBy H 1 2.229 0.008 A 48 MET HGx H 1 2.733 0.008 A 48 MET HGy H 1 2.818 0.008 A 48 MET CA C 13 57.081 0.200 A 48 MET CB C 13 31.934 0.200 A 48 MET CG C 13 31.632 0.200 A 49 SER H H 1 7.672 0.008 A 49 SER HA H 1 4.536 0.008 A 49 SER HBy H 1 4.043 0.008 A 49 SER HBx H 1 3.876 0.008 A 49 SER CA C 13 59.206 0.200 A 49 SER CB C 13 63.792 0.200 A 50 ALA H H 1 7.602 0.008 A 50 ALA HA H 1 4.187 0.008 A 50 ALA HB% H 1 1.650 0.008 A 50 ALA CA C 13 52.637 0.200 A 50 ALA CB C 13 17.896 0.200 A 51 GLN H H 1 8.004 0.008 A 51 GLN HA H 1 4.584 0.008 A 51 GLN HBx H 1 2.098 0.008 A 51 GLN HBy H 1 2.127 0.008 A 51 GLN HE2y H 1 7.702 0.008 A 51 GLN HE2x H 1 6.988 0.008 A 51 GLN HGx H 1 2.359 0.008 A 51 GLN HGy H 1 2.474 0.008 A 51 GLN CA C 13 54.256 0.200 A 51 GLN CB C 13 28.525 0.200 A 51 GLN CG C 13 33.246 0.200 A 52 CYS H H 1 8.118 0.008 A 52 CYS HA H 1 4.573 0.008 A 52 CYS HBy H 1 3.444 0.008 A 52 CYS HBx H 1 2.556 0.008 A 52 CYS CA C 13 52.808 0.200 A 52 CYS CB C 13 38.736 0.200 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 5 TRP HE1 A 41 VAL H 1.0 . 5.46 2 2 A 5 TRP HE1 A 5 TRP HA 1.0 . 5.05 3 3 A 5 TRP HE1 A 41 VAL HA 1.0 . 5.33 4 4 A 5 TRP HE1 A 4 ASP HBy 1.0 . 5.03 5 5 A 5 TRP HE1 A 41 VAL HB 1.0 . 3.95 6 6 A 5 TRP HE1 A 41 VAL HGx% 1.0 . 4.71 7 7 A 5 TRP HE1 A 41 VAL HGy% 1.0 . 3.38 8 8 A 20 TRP HE1 A 49 SER HBy 1.0 . 5.34 9 9 A 20 TRP HE1 A 49 SER HBx 1.0 . 5.47 10 10 A 20 TRP HE1 A 21 THR HA 1.0 . 5.09 11 11 A 20 TRP HE1 A 24 THR HG2% 1.0 . 4.50 12 12 A 42 GLY H A 43 GLU H 1.0 . 3.57 13 13 A 41 VAL H A 43 GLU H 1.0 . 4.38 14 14 A 43 GLU H A 45 ALA H 1.0 . 5.00 15 15 A 43 GLU H A 44 GLN H 1.0 . 3.55 16 16 A 43 GLU H A 38 PHE HA 1.0 . 5.23 17 17 A 43 GLU H A 39 ASP HA 1.0 . 4.95 18 18 A 43 GLU H A 40 VAL HA 1.0 . 3.98 19 19 A 41 VAL HA A 43 GLU H 1.0 . 4.87 20 20 A 43 GLU H A 43 GLU HBy 1.0 . 3.47 21 21 A 43 GLU H A 43 GLU HBx 1.0 . 3.43 22 22 A 41 VAL HB A 43 GLU H 1.0 . 5.18 23 23 A 43 GLU H A 45 ALA HB% 1.0 . 5.50 24 24 A 43 GLU H A 40 VAL HGy% 1.0 . 5.50 25 25 A 43 GLU H A 40 VAL HGx% 1.0 . 5.50 26 26 A 41 VAL HGx% A 43 GLU H 1.0 . 5.50 27 27 A 31 TYR HD% A 32 THR H 1.0 . 3.75 28 28 A 32 THR H A 31 TYR HE% 1.0 . 5.25 29 29 A 32 THR H A 29 THR HA 1.0 . 4.72 30 30 A 32 THR H A 32 THR HG2% 1.0 . 3.78 31 31 A 32 THR H A 31 TYR HBy 1.0 . 3.31 32 32 A 30 CYS H A 31 TYR H 1.0 . 4.04 33 33 A 31 TYR H A 24 THR HA 1.0 . 4.51 34 34 A 31 TYR H A 23 CYS HA 1.0 . 4.33 35 35 A 31 TYR H A 50 ALA HA 1.0 . 5.50 36 36 A 31 TYR H A 30 CYS HA 1.0 . 3.30 37 37 A 31 TYR H A 31 TYR HBx 1.0 . 4.15 38 38 A 31 TYR H A 23 CYS HBy 1.0 . 5.13 39 39 A 31 TYR H A 30 CYS HBx 1.0 . 4.88 40 40 A 31 TYR H A 50 ALA HB% 1.0 . 4.12 41 41 A 18 THR H A 19 ALA H 1.0 . 3.47 42 42 A 18 THR H A 15 ASP HBx 1.0 . 4.93 43 43 A 18 THR H A 19 ALA HB% 1.0 . 5.22 44 44 A 18 THR H A 17 ASN H 1.0 . 3.23 45 45 A 18 THR H A 17 ASN HD2y 1.0 . 5.32 46 46 A 18 THR H A 18 THR HB 1.0 . 3.25 47 47 A 18 THR H A 16 SER HA 1.0 . 5.07 48 48 A 18 THR H A 17 ASN HBx 1.0 . 3.18 49 48 A 18 THR H A 17 ASN HBy 1.0 . 3.18 50 49 A 18 THR H A 18 THR HG2% 1.0 . 4.24 51 50 A 27 GLY H A 28 GLN H 1.0 . 4.65 52 51 A 27 GLY H A 26 PRO HA 1.0 . 2.81 53 52 A 30 CYS HA A 27 GLY H 1.0 . 5.16 54 53 A 30 CYS HBx A 27 GLY H 1.0 . 4.41 55 54 A 27 GLY H A 26 PRO HBx 1.0 . 3.84 56 55 A 27 GLY H A 26 PRO HBy 1.0 . 4.29 57 56 A 18 THR H A 20 TRP H 1.0 . 4.89 58 57 A 20 TRP H A 21 THR H 1.0 . 3.58 59 58 A 19 ALA H A 20 TRP H 1.0 . 3.57 60 59 A 20 TRP H A 17 ASN HA 1.0 . 4.00 61 60 A 20 TRP H A 20 TRP HBy 1.0 . 3.06 62 60 A 20 TRP H A 20 TRP HBx 1.0 . 3.06 63 61 A 20 TRP H A 2 PRO HBy 1.0 . 4.93 64 62 A 19 ALA HB% A 20 TRP H 1.0 . 3.62 65 63 A 13 TYR HA A 14 GLY H 1.0 . 3.03 66 64 A 14 GLY H A 13 TYR HBy 1.0 . 3.73 67 65 A 18 THR HG2% A 14 GLY H 1.0 . 4.77 68 66 A 28 GLN H A 29 THR H 1.0 . 3.57 69 67 A 28 GLN H A 27 GLY HAy 1.0 . 3.27 70 68 A 28 GLN H A 27 GLY HAx 1.0 . 3.20 71 69 A 28 GLN H A 28 GLN HGy 1.0 . 3.92 72 70 A 28 GLN H A 28 GLN HGx 1.0 . 3.96 73 71 A 28 GLN H A 28 GLN HBx 1.0 . 2.99 74 71 A 28 GLN H A 28 GLN HBy 1.0 . 2.99 75 72 A 28 GLN H A 29 THR HG2% 1.0 . 4.87 76 73 A 46 CYS H A 48 MET H 1.0 . 4.81 77 74 A 45 ALA H A 46 CYS H 1.0 . 3.38 78 75 A 46 CYS H A 20 TRP HH2 1.0 . 4.41 79 76 A 44 GLN H A 46 CYS H 1.0 . 5.03 80 77 A 46 CYS H A 44 GLN HA 1.0 . 5.33 81 78 A 46 CYS H A 42 GLY HAx 1.0 . 5.08 82 79 A 46 CYS H A 46 CYS HBx 1.0 . 3.38 83 79 A 46 CYS H A 46 CYS HBy 1.0 . 3.38 84 80 A 45 ALA HB% A 46 CYS H 1.0 . 3.60 85 81 A 42 GLY H A 39 ASP H 1.0 . 4.70 86 82 A 39 ASP H A 40 VAL H 1.0 . 4.64 87 83 A 39 ASP H A 5 TRP HD1 1.0 . 5.25 88 84 A 5 TRP HA A 39 ASP H 1.0 . 4.56 89 85 A 39 ASP H A 5 TRP HBx 1.0 . 4.63 90 86 A 39 ASP H A 39 ASP HBy 1.0 . 3.71 91 87 A 39 ASP H A 42 GLY HAy 1.0 . 4.65 92 88 A 39 ASP H A 38 PHE HBy 1.0 . 3.76 93 89 A 39 ASP H A 39 ASP HBx 1.0 . 3.36 94 90 A 39 ASP H A 7 THR HG2% 1.0 . 3.63 95 91 A 43 GLU H A 39 ASP H 1.0 . 4.97 96 92 A 41 VAL H A 39 ASP H 1.0 . 5.24 97 93 A 32 THR H A 33 CYS H 1.0 . 3.65 98 94 A 33 CYS H A 29 THR HB 1.0 . 3.94 99 95 A 29 THR HA A 33 CYS H 1.0 . 4.45 100 96 A 33 CYS H A 33 CYS HBx 1.0 . 3.82 101 97 A 23 CYS HBy A 33 CYS H 1.0 . 4.96 102 98 A 32 THR HG2% A 33 CYS H 1.0 . 4.14 103 99 A 29 THR HG2% A 33 CYS H 1.0 . 5.12 104 100 A 31 TYR H A 33 CYS H 1.0 . 5.08 105 101 A 30 CYS H A 33 CYS H 1.0 . 4.98 106 102 A 12 ALA H A 13 TYR H 1.0 . 3.49 107 103 A 12 ALA H A 12 ALA HB% 1.0 . 3.08 108 104 A 12 ALA H A 11 CYS HBx 1.0 . 4.71 109 105 A 17 ASN H A 16 SER H 1.0 . 3.69 110 106 A 16 SER H A 6 PHE HZ 1.0 . 5.13 111 107 A 9 ASP H A 10 THR H 1.0 . 3.34 112 108 A 13 TYR HA A 12 ALA H 1.0 . 5.09 113 109 A 16 SER H A 15 ASP HA 1.0 . 2.98 114 110 A 9 ASP H A 7 THR HA 1.0 . 4.29 115 111 A 9 ASP H A 10 THR HA 1.0 . 5.39 116 112 A 9 ASP H A 7 THR HB 1.0 . 4.41 117 113 A 16 SER H A 3 GLU HA 1.0 . 4.98 118 114 A 9 ASP H A 8 PRO HDy 1.0 . 4.12 119 115 A 16 SER H A 16 SER HBy 1.0 . 4.03 120 116 A 16 SER H A 16 SER HBx 1.0 . 3.68 121 117 A 16 SER H A 15 ASP HBy 1.0 . 3.38 122 118 A 9 ASP H A 9 ASP HBx 1.0 . 3.18 123 119 A 9 ASP H A 8 PRO HBy 1.0 . 4.61 124 120 A 9 ASP H A 8 PRO HGy 1.0 . 4.22 125 121 A 9 ASP H A 8 PRO HGx 1.0 . 3.66 126 122 A 19 ALA HB% A 16 SER H 1.0 . 5.16 127 123 A 9 ASP H A 10 THR HG2% 1.0 . 4.74 128 124 A 7 THR HG2% A 9 ASP H 1.0 . 5.42 129 125 A 41 VAL H A 42 GLY H 1.0 . 3.20 130 126 A 41 VAL HB A 42 GLY H 1.0 . 3.28 131 127 A 41 VAL HGx% A 42 GLY H 1.0 . 4.29 132 128 A 41 VAL HGy% A 42 GLY H 1.0 . 4.16 133 129 A 42 GLY H A 45 ALA HB% 1.0 . 5.50 134 130 A 42 GLY H A 40 VAL HGy% 1.0 . 5.50 135 131 A 42 GLY H A 40 VAL HGx% 1.0 . 5.29 136 132 A 21 THR H A 17 ASN HA 1.0 . 4.34 137 133 A 21 THR H A 21 THR HB 1.0 . 3.18 138 134 A 21 THR H A 19 ALA HA 1.0 . 5.30 139 135 A 21 THR H A 18 THR HA 1.0 . 4.41 140 136 A 21 THR H A 20 TRP HBy 1.0 . 3.28 141 136 A 21 THR H A 20 TRP HBx 1.0 . 3.28 142 137 A 19 ALA HB% A 21 THR H 1.0 . 5.43 143 138 A 21 THR H A 21 THR HG2% 1.0 . 3.76 144 139 A 18 THR HG2% A 21 THR H 1.0 . 5.50 145 140 A 21 THR H A 22 THR HA 1.0 . 5.50 146 141 A 21 THR H A 25 THR HG2% 1.0 . 5.50 147 142 A 29 THR H A 27 GLY HAy 1.0 . 4.57 148 143 A 29 THR H A 28 GLN HGy 1.0 . 5.12 149 144 A 29 THR H A 28 GLN HBx 1.0 . 3.75 150 144 A 29 THR H A 28 GLN HBy 1.0 . 3.75 151 145 A 29 THR H A 28 GLN HGx 1.0 . 5.18 152 146 A 29 THR H A 29 THR HG2% 1.0 . 3.51 153 147 A 19 ALA H A 15 ASP H 1.0 . 4.48 154 148 A 19 ALA H A 17 ASN HA 1.0 . 4.89 155 149 A 19 ALA H A 13 TYR HBy 1.0 . 4.54 156 150 A 19 ALA H A 17 ASN HBx 1.0 . 4.97 157 150 A 19 ALA H A 17 ASN HBy 1.0 . 4.97 158 151 A 19 ALA H A 15 ASP HBx 1.0 . 4.46 159 152 A 19 ALA H A 19 ALA HB% 1.0 . 3.22 160 153 A 21 THR H A 22 THR H 1.0 . 3.50 161 154 A 22 THR H A 24 THR H 1.0 . 4.87 162 155 A 21 THR HB A 22 THR H 1.0 . 3.38 163 156 A 22 THR H A 22 THR HB 1.0 . 3.19 164 157 A 21 THR HG2% A 22 THR H 1.0 . 4.18 165 158 A 22 THR H A 22 THR HG2% 1.0 . 4.14 166 159 A 43 GLU HA A 47 GLN H 1.0 . 5.01 167 160 A 46 CYS H A 47 GLN H 1.0 . 3.66 168 161 A 22 THR H A 23 CYS H 1.0 . 3.50 169 162 A 48 MET H A 47 GLN H 1.0 . 3.54 170 163 A 47 GLN H A 49 SER H 1.0 . 4.83 171 164 A 24 THR H A 23 CYS H 1.0 . 3.45 172 165 A 3 GLU H A 4 ASP HA 1.0 . 4.96 173 166 A 44 GLN HA A 47 GLN H 1.0 . 3.82 174 167 A 22 THR HB A 23 CYS H 1.0 . 3.38 175 168 A 47 GLN H A 34 CYS HBy 1.0 . 3.65 176 169 A 3 GLU H A 2 PRO HDy 1.0 . 3.81 177 170 A 47 GLN H A 34 CYS HBx 1.0 . 4.36 178 171 A 23 CYS H A 23 CYS HBx 1.0 . 3.48 179 172 A 3 GLU H A 1 ASN HBx 1.0 . 4.37 180 172 A 3 GLU H A 1 ASN HBy 1.0 . 4.37 181 173 A 47 GLN H A 47 GLN HBy 1.0 . 3.19 182 174 A 50 ALA HB% A 47 GLN H 1.0 . 5.50 183 175 A 47 GLN H A 47 GLN HGx 1.0 . 4.20 184 176 A 22 THR HG2% A 23 CYS H 1.0 . 4.21 185 177 A 24 THR HG2% A 23 CYS H 1.0 . 4.78 186 178 A 19 ALA H A 17 ASN H 1.0 . 4.84 187 179 A 17 ASN H A 15 ASP HA 1.0 . 4.65 188 180 A 17 ASN H A 18 THR HA 1.0 . 5.11 189 181 A 17 ASN H A 17 ASN HBx 1.0 . 2.87 190 181 A 17 ASN H A 17 ASN HBy 1.0 . 2.87 191 182 A 32 THR H A 34 CYS H 1.0 . 5.09 192 183 A 31 TYR H A 34 CYS H 1.0 . 5.13 193 184 A 33 CYS H A 34 CYS H 1.0 . 3.59 194 185 A 34 CYS H A 35 SER H 1.0 . 3.61 195 186 A 34 CYS H A 36 SER H 1.0 . 5.18 196 187 A 34 CYS H A 31 TYR HA 1.0 . 4.39 197 188 A 23 CYS HBy A 34 CYS H 1.0 . 3.57 198 189 A 34 CYS HBx A 34 CYS H 1.0 . 3.59 199 190 A 32 THR HG2% A 34 CYS H 1.0 . 5.50 200 191 A 51 GLN H A 52 CYS H 1.0 . 3.74 201 192 A 52 CYS H A 51 GLN HA 1.0 . 2.65 202 193 A 52 CYS H A 52 CYS HBx 1.0 . 3.34 203 194 A 52 CYS H A 51 GLN HGy 1.0 . 5.50 204 195 A 52 CYS H A 51 GLN HGx 1.0 . 4.65 205 196 A 52 CYS H A 51 GLN HBy 1.0 . 3.93 206 197 A 50 ALA HB% A 48 MET H 1.0 . 4.50 207 198 A 48 MET H A 50 ALA H 1.0 . 4.30 208 199 A 48 MET H A 45 ALA HA 1.0 . 3.96 209 200 A 48 MET H A 48 MET HGy 1.0 . 3.88 210 201 A 48 MET H A 48 MET HGx 1.0 . 3.88 211 202 A 48 MET H A 48 MET HBx 1.0 . 3.01 212 202 A 48 MET H A 48 MET HBy 1.0 . 3.01 213 203 A 45 ALA HB% A 48 MET H 1.0 . 5.50 214 204 A 6 PHE HBy A 7 THR H 1.0 . 5.50 215 205 A 7 THR H A 6 PHE HD% 1.0 . 4.18 216 206 A 38 PHE HA A 7 THR H 1.0 . 3.94 217 207 A 8 PRO HDy A 7 THR H 1.0 . 5.16 218 208 A 7 THR H A 6 PHE HBx 1.0 . 4.87 219 209 A 7 THR HG2% A 7 THR H 1.0 . 3.93 220 210 A 51 GLN H A 50 ALA H 1.0 . 4.61 221 211 A 42 GLY H A 40 VAL H 1.0 . 5.12 222 212 A 41 VAL H A 40 VAL H 1.0 . 3.65 223 213 A 24 THR HA A 51 GLN H 1.0 . 3.55 224 214 A 40 VAL H A 39 ASP HBy 1.0 . 3.06 225 215 A 40 VAL H A 39 ASP HBx 1.0 . 3.43 226 216 A 51 GLN H A 51 GLN HGy 1.0 . 4.32 227 217 A 51 GLN H A 51 GLN HGx 1.0 . 4.63 228 218 A 40 VAL H A 40 VAL HB 1.0 . 2.99 229 219 A 51 GLN H A 51 GLN HBx 1.0 . 3.52 230 220 A 50 ALA HB% A 51 GLN H 1.0 . 3.76 231 221 A 40 VAL HGx% A 40 VAL H 1.0 . 3.31 232 222 A 41 VAL HGx% A 40 VAL H 1.0 . 4.88 233 223 A 17 ASN H A 17 ASN HD2y 1.0 . 4.96 234 224 A 35 SER H A 37 CYS H 1.0 . 4.85 235 225 A 38 PHE HA A 37 CYS H 1.0 . 5.29 236 226 A 37 CYS H A 33 CYS HA 1.0 . 4.93 237 227 A 37 CYS H A 36 SER HBy 1.0 . 5.23 238 228 A 37 CYS H A 36 SER HBx 1.0 . 5.03 239 229 A 37 CYS H A 37 CYS HBy 1.0 . 3.50 240 230 A 37 CYS H A 37 CYS HBx 1.0 . 3.90 241 231 A 37 CYS H A 11 CYS HBy 1.0 . 5.18 242 232 A 19 ALA HB% A 38 PHE HE% 1.0 . 5.50 243 232 A 19 ALA HB% A 38 PHE HD% 1.0 . 5.50 244 233 A 51 GLN HA A 51 GLN HE2y 1.0 . 5.50 245 234 A 48 MET H A 49 SER H 1.0 . 3.36 246 235 A 49 SER H A 50 ALA H 1.0 . 2.92 247 236 A 50 ALA HA A 49 SER H 1.0 . 4.99 248 237 A 49 SER HBy A 49 SER H 1.0 . 3.69 249 238 A 49 SER HBx A 49 SER H 1.0 . 3.33 250 239 A 49 SER H A 46 CYS HA 1.0 . 4.39 251 240 A 49 SER H A 48 MET HGx 1.0 . 5.12 252 241 A 49 SER H A 48 MET HBx 1.0 . 3.64 253 241 A 49 SER H A 48 MET HBy 1.0 . 3.64 254 242 A 50 ALA HB% A 49 SER H 1.0 . 4.51 255 243 A 24 THR HG2% A 49 SER H 1.0 . 5.02 256 244 A 5 TRP H A 6 PHE H 1.0 . 3.32 257 245 A 6 PHE HBy A 6 PHE H 1.0 . 3.28 258 246 A 16 SER HBx A 6 PHE H 1.0 . 4.91 259 247 A 6 PHE HBx A 6 PHE H 1.0 . 3.34 260 248 A 47 GLN HGx A 47 GLN HE2y 1.0 . 4.04 261 249 A 47 GLN H A 50 ALA H 1.0 . 5.25 262 250 A 50 ALA H A 48 MET HGx 1.0 . 5.50 263 251 A 24 THR HA A 50 ALA H 1.0 . 4.82 264 252 A 50 ALA H A 48 MET HA 1.0 . 4.50 265 253 A 50 ALA HB% A 50 ALA H 1.0 . 3.03 266 254 A 24 THR HG2% A 50 ALA H 1.0 . 4.20 267 255 A 42 GLY H A 5 TRP HD1 1.0 . 4.51 268 256 A 5 TRP HD1 A 42 GLY HAy 1.0 . 4.93 269 257 A 41 VAL HB A 5 TRP HD1 1.0 . 3.43 270 258 A 41 VAL HGx% A 5 TRP HD1 1.0 . 4.66 271 259 A 41 VAL HGy% A 5 TRP HD1 1.0 . 4.08 272 260 A 3 GLU H A 4 ASP H 1.0 . 3.43 273 261 A 4 ASP H A 2 PRO HA 1.0 . 4.86 274 262 A 4 ASP HBy A 4 ASP H 1.0 . 3.59 275 263 A 4 ASP H A 4 ASP HBx 1.0 . 3.16 276 264 A 35 SER H A 37 CYS HBy 1.0 . 5.01 277 265 A 33 CYS H A 35 SER H 1.0 . 5.17 278 266 A 35 SER H A 33 CYS HA 1.0 . 4.34 279 267 A 35 SER H A 35 SER HBy 1.0 . 3.88 280 268 A 35 SER H A 31 TYR HA 1.0 . 5.50 281 269 A 34 CYS HBy A 35 SER H 1.0 . 4.47 282 270 A 34 CYS HBx A 35 SER H 1.0 . 4.15 283 271 A 32 THR HG2% A 35 SER H 1.0 . 5.50 284 272 A 1 ASN HD2y A 1 ASN HBx 1.0 . 3.64 285 272 A 1 ASN HBy A 1 ASN HD2y 1.0 . 3.64 286 273 A 14 GLY H A 13 TYR H 1.0 . 4.85 287 274 A 15 ASP HA A 6 PHE HE% 1.0 . 4.62 288 275 A 13 TYR HBy A 13 TYR H 1.0 . 3.88 289 276 A 13 TYR H A 13 TYR HBx 1.0 . 3.61 290 277 A 13 TYR H A 12 ALA HB% 1.0 . 3.82 291 278 A 13 TYR H A 11 CYS HBy 1.0 . 5.13 292 279 A 19 ALA HB% A 6 PHE HE% 1.0 . 4.16 293 280 A 41 VAL H A 39 ASP HBx 1.0 . 5.24 294 281 A 8 PRO HGy A 6 PHE HE% 1.0 . 5.50 295 282 A 41 VAL H A 41 VAL HB 1.0 . 3.04 296 283 A 41 VAL H A 40 VAL HGy% 1.0 . 4.09 297 284 A 41 VAL H A 40 VAL HGx% 1.0 . 3.78 298 285 A 41 VAL H A 41 VAL HGx% 1.0 . 3.26 299 286 A 41 VAL H A 41 VAL HGy% 1.0 . 4.15 300 287 A 20 TRP HZ2 A 49 SER HA 1.0 . 5.16 301 288 A 49 SER HBy A 20 TRP HZ2 1.0 . 3.81 302 289 A 20 TRP HZ2 A 5 TRP HZ3 1.0 . 5.48 303 290 A 49 SER HBx A 20 TRP HZ2 1.0 . 3.84 304 291 A 46 CYS HA A 20 TRP HZ2 1.0 . 4.60 305 292 A 45 ALA HB% A 20 TRP HZ2 1.0 . 4.53 306 293 A 24 THR HG2% A 20 TRP HZ2 1.0 . 4.46 307 294 A 16 SER H A 6 PHE HD% 1.0 . 5.28 308 295 A 6 PHE HD% A 6 PHE HA 1.0 . 5.03 309 296 A 15 ASP HA A 6 PHE HD% 1.0 . 5.12 310 297 A 6 PHE HD% A 8 PRO HDx 1.0 . 4.34 311 298 A 8 PRO HBy A 6 PHE HD% 1.0 . 4.85 312 299 A 8 PRO HGy A 6 PHE HD% 1.0 . 5.11 313 300 A 19 ALA HB% A 6 PHE HD% 1.0 . 4.36 314 301 A 8 PRO HDy A 6 PHE HD% 1.0 . 5.23 315 302 A 16 SER HBy A 6 PHE HD% 1.0 . 5.17 316 303 A 41 VAL HB A 5 TRP HZ2 1.0 . 4.69 317 304 A 4 ASP HBy A 5 TRP HZ2 1.0 . 5.50 318 305 A 45 ALA HB% A 5 TRP HZ2 1.0 . 4.93 319 306 A 41 VAL HGx% A 5 TRP HZ2 1.0 . 5.50 320 307 A 41 VAL HGy% A 5 TRP HZ2 1.0 . 3.82 321 308 A 3 GLU H A 5 TRP H 1.0 . 4.90 322 309 A 5 TRP H A 4 ASP H 1.0 . 3.32 323 310 A 3 GLU HA A 5 TRP H 1.0 . 4.91 324 311 A 5 TRP H A 5 TRP HBy 1.0 . 4.03 325 312 A 5 TRP HBx A 5 TRP H 1.0 . 3.76 326 313 A 4 ASP HBy A 5 TRP H 1.0 . 4.24 327 314 A 5 TRP H A 4 ASP HBx 1.0 . 3.86 328 315 A 2 PRO HBy A 5 TRP H 1.0 . 5.26 329 316 A 18 THR H A 15 ASP H 1.0 . 4.84 330 317 A 14 GLY H A 15 ASP H 1.0 . 3.52 331 318 A 16 SER H A 15 ASP H 1.0 . 4.83 332 319 A 13 TYR HA A 15 ASP H 1.0 . 4.66 333 320 A 19 ALA HA A 15 ASP H 1.0 . 5.50 334 321 A 15 ASP H A 14 GLY HAx 1.0 . 3.50 335 322 A 13 TYR HBy A 15 ASP H 1.0 . 4.18 336 323 A 15 ASP HBx A 15 ASP H 1.0 . 3.79 337 324 A 19 ALA HB% A 15 ASP H 1.0 . 4.95 338 325 A 18 THR HG2% A 15 ASP H 1.0 . 4.69 339 326 A 25 THR H A 25 THR HB 1.0 . 4.18 340 327 A 21 THR HA A 25 THR H 1.0 . 5.45 341 328 A 22 THR HA A 25 THR H 1.0 . 4.29 342 329 A 50 ALA HB% A 25 THR H 1.0 . 5.50 343 330 A 25 THR HG2% A 25 THR H 1.0 . 3.90 344 331 A 21 THR HG2% A 25 THR H 1.0 . 5.50 345 332 A 22 THR HG2% A 25 THR H 1.0 . 5.50 346 333 A 24 THR HG2% A 25 THR H 1.0 . 4.72 347 334 A 25 THR HG2% A 24 THR H 1.0 . 4.74 348 335 A 24 THR H A 22 THR HG2% 1.0 . 5.50 349 336 A 24 THR H A 24 THR HB 1.0 . 4.10 350 337 A 21 THR HA A 24 THR H 1.0 . 4.07 351 338 A 24 THR HG2% A 24 THR H 1.0 . 3.73 352 339 A 9 ASP HA A 11 CYS H 1.0 . 4.60 353 340 A 11 CYS HBy A 11 CYS H 1.0 . 3.53 354 341 A 11 CYS HBx A 11 CYS H 1.0 . 3.47 355 342 A 10 THR HG2% A 11 CYS H 1.0 . 4.63 356 343 A 14 GLY H A 13 TYR HD% 1.0 . 4.05 357 344 A 19 ALA H A 13 TYR HD% 1.0 . 4.55 358 345 A 13 TYR H A 13 TYR HD% 1.0 . 3.47 359 346 A 13 TYR HA A 13 TYR HD% 1.0 . 3.16 360 347 A 22 THR HB A 13 TYR HD% 1.0 . 4.38 361 348 A 19 ALA HB% A 13 TYR HD% 1.0 . 3.61 362 349 A 18 THR HG2% A 13 TYR HD% 1.0 . 3.77 363 350 A 12 ALA HB% A 13 TYR HD% 1.0 . 4.22 364 351 A 45 ALA H A 47 GLN H 1.0 . 4.72 365 352 A 19 ALA HA A 13 TYR HD% 1.0 . 3.09 366 353 A 36 SER H A 35 SER HBx 1.0 . 4.21 367 354 A 36 SER H A 36 SER HBx 1.0 . 4.00 368 355 A 41 VAL HA A 45 ALA H 1.0 . 4.82 369 356 A 36 SER H A 37 CYS HBy 1.0 . 4.24 370 357 A 45 ALA H A 46 CYS HA 1.0 . 5.40 371 358 A 45 ALA H A 42 GLY HAx 1.0 . 4.37 372 359 A 45 ALA H A 44 GLN HGx 1.0 . 5.45 373 360 A 45 ALA H A 44 GLN HBx 1.0 . 3.47 374 360 A 45 ALA H A 44 GLN HBy 1.0 . 3.47 375 361 A 45 ALA H A 45 ALA HB% 1.0 . 3.15 376 362 A 22 THR HG2% A 13 TYR HD% 1.0 . 4.38 377 363 A 41 VAL HGy% A 45 ALA H 1.0 . 5.21 378 364 A 36 SER H A 37 CYS H 1.0 . 3.64 379 365 A 32 THR HG2% A 36 SER H 1.0 . 5.50 380 366 A 6 PHE HZ A 6 PHE HD% 1.0 . 4.20 381 367 A 6 PHE HZ A 15 ASP H 1.0 . 4.64 382 368 A 6 PHE HZ A 15 ASP HA 1.0 . 4.07 383 369 A 11 CYS HBx A 6 PHE HZ 1.0 . 4.71 384 370 A 6 PHE HZ A 13 TYR HBx 1.0 . 4.88 385 371 A 19 ALA HB% A 6 PHE HZ 1.0 . 4.69 386 372 A 14 GLY H A 6 PHE HZ 1.0 . 5.50 387 373 A 6 PHE HZ A 14 GLY HAy 1.0 . 4.42 388 374 A 6 PHE HZ A 14 GLY HAx 1.0 . 5.01 389 375 A 6 PHE HZ A 8 PRO HBy 1.0 . 4.31 390 376 A 6 PHE HZ A 8 PRO HBx 1.0 . 4.88 391 377 A 20 TRP H A 20 TRP HD1 1.0 . 4.95 392 378 A 21 THR H A 20 TRP HD1 1.0 . 4.13 393 379 A 17 ASN HA A 20 TRP HD1 1.0 . 5.16 394 380 A 21 THR HA A 20 TRP HD1 1.0 . 3.65 395 381 A 20 TRP HD1 A 20 TRP HBy 1.0 . 3.34 396 381 A 20 TRP HBx A 20 TRP HD1 1.0 . 3.34 397 382 A 2 PRO HBy A 20 TRP HD1 1.0 . 5.50 398 383 A 25 THR HG2% A 20 TRP HD1 1.0 . 5.50 399 384 A 24 THR HG2% A 20 TRP HD1 1.0 . 4.81 400 385 A 12 ALA H A 13 TYR HE% 1.0 . 5.50 401 386 A 13 TYR HA A 13 TYR HE% 1.0 . 4.50 402 387 A 30 CYS H A 29 THR HB 1.0 . 4.40 403 388 A 30 CYS H A 33 CYS HBy 1.0 . 4.47 404 389 A 19 ALA HB% A 13 TYR HE% 1.0 . 4.78 405 390 A 18 THR HG2% A 13 TYR HE% 1.0 . 4.21 406 391 A 22 THR HG2% A 13 TYR HE% 1.0 . 3.55 407 392 A 12 ALA HB% A 13 TYR HE% 1.0 . 3.88 408 393 A 31 TYR HD% A 34 CYS H 1.0 . 5.12 409 394 A 22 THR HA A 13 TYR HE% 1.0 . 5.50 410 395 A 28 GLN H A 28 GLN HE2x 1.0 . 4.85 411 396 A 31 TYR HD% A 47 GLN HE2y 1.0 . 4.66 412 397 A 27 GLY HAy A 28 GLN HE2x 1.0 . 4.49 413 398 A 30 CYS H A 23 CYS HA 1.0 . 5.44 414 399 A 30 CYS H A 30 CYS HBy 1.0 . 3.08 415 400 A 31 TYR HD% A 47 GLN HGy 1.0 . 5.50 416 401 A 28 GLN HE2x A 28 GLN HBx 1.0 . 5.37 417 401 A 28 GLN HBy A 28 GLN HE2x 1.0 . 5.37 418 402 A 31 TYR HD% A 50 ALA HB% 1.0 . 3.12 419 403 A 31 TYR HD% A 32 THR HG2% 1.0 . 4.52 420 404 A 31 TYR HD% A 47 GLN HGx 1.0 . 5.05 421 405 A 30 CYS H A 27 GLY H 1.0 . 4.32 422 406 A 30 CYS H A 30 CYS HBx 1.0 . 3.24 423 407 A 36 SER HA A 38 PHE H 1.0 . 5.06 424 408 A 7 THR HG2% A 38 PHE H 1.0 . 5.08 425 409 A 39 ASP H A 38 PHE H 1.0 . 5.02 426 410 A 37 CYS H A 38 PHE H 1.0 . 3.38 427 411 A 37 CYS HBy A 38 PHE H 1.0 . 4.00 428 412 A 37 CYS HBx A 38 PHE H 1.0 . 4.98 429 413 A 45 ALA HB% A 5 TRP HH2 1.0 . 3.89 430 414 A 41 VAL HGy% A 5 TRP HH2 1.0 . 5.02 431 415 A 5 TRP HE3 A 20 TRP HZ3 1.0 . 4.20 432 416 A 5 TRP HA A 5 TRP HE3 1.0 . 5.00 433 417 A 5 TRP HBy A 5 TRP HE3 1.0 . 4.08 434 418 A 5 TRP HBx A 5 TRP HE3 1.0 . 3.72 435 419 A 42 GLY HAy A 5 TRP HE3 1.0 . 4.13 436 420 A 2 PRO HBy A 5 TRP HE3 1.0 . 4.94 437 421 A 5 TRP HE3 A 2 PRO HBx 1.0 . 5.50 438 422 A 42 GLY H A 5 TRP HE3 1.0 . 5.11 439 423 A 5 TRP HE3 A 2 PRO HDx 1.0 . 5.03 440 424 A 42 GLY HAx A 5 TRP HE3 1.0 . 3.98 441 425 A 10 THR H A 11 CYS H 1.0 . 3.09 442 426 A 10 THR H A 10 THR HB 1.0 . 4.03 443 427 A 10 THR H A 9 ASP HBy 1.0 . 4.16 444 428 A 10 THR H A 9 ASP HBx 1.0 . 3.95 445 429 A 10 THR H A 10 THR HG2% 1.0 . 3.66 446 430 A 31 TYR HE% A 48 MET H 1.0 . 5.18 447 431 A 31 TYR HE% A 47 GLN HE2y 1.0 . 4.25 448 432 A 31 TYR HE% A 47 GLN HE2x 1.0 . 4.65 449 433 A 31 TYR HE% A 48 MET HA 1.0 . 5.28 450 434 A 31 TYR HE% A 32 THR HA 1.0 . 4.73 451 435 A 31 TYR HE% A 47 GLN HA 1.0 . 3.69 452 436 A 31 TYR HE% A 47 GLN HBy 1.0 . 3.89 453 437 A 31 TYR HE% A 47 GLN HBx 1.0 . 3.47 454 438 A 31 TYR HE% A 50 ALA HB% 1.0 . 4.20 455 439 A 31 TYR HE% A 32 THR HG2% 1.0 . 5.50 456 440 A 31 TYR HE% A 47 GLN HGx 1.0 . 4.31 457 441 A 3 GLU H A 1 ASN HD2x 1.0 . 4.92 458 442 A 24 THR HG2% A 20 TRP HH2 1.0 . 5.09 459 443 A 20 TRP HH2 A 5 TRP HZ3 1.0 . 4.69 460 444 A 20 TRP HH2 A 45 ALA HA 1.0 . 4.60 461 445 A 49 SER HBx A 20 TRP HH2 1.0 . 4.46 462 446 A 45 ALA HB% A 20 TRP HH2 1.0 . 3.40 463 447 A 20 TRP H A 20 TRP HE3 1.0 . 4.69 464 448 A 46 CYS H A 20 TRP HE3 1.0 . 5.50 465 449 A 20 TRP HE3 A 20 TRP HA 1.0 . 3.65 466 450 A 2 PRO HA A 20 TRP HE3 1.0 . 4.63 467 451 A 20 TRP HE3 A 20 TRP HBy 1.0 . 3.58 468 451 A 20 TRP HBx A 20 TRP HE3 1.0 . 3.58 469 452 A 46 CYS HA A 20 TRP HE3 1.0 . 5.10 470 453 A 2 PRO HBy A 20 TRP HE3 1.0 . 4.02 471 454 A 2 PRO HBx A 20 TRP HE3 1.0 . 4.68 472 455 A 45 ALA HB% A 20 TRP HE3 1.0 . 5.09 473 456 A 20 TRP HE3 A 2 PRO HGx 1.0 . 4.51 474 457 A 24 THR HG2% A 20 TRP HE3 1.0 . 5.23 475 458 A 45 ALA H A 44 GLN H 1.0 . 3.31 476 459 A 41 VAL HA A 44 GLN H 1.0 . 4.31 477 460 A 44 GLN H A 44 GLN HGy 1.0 . 4.23 478 461 A 44 GLN H A 44 GLN HGx 1.0 . 4.42 479 462 A 44 GLN H A 44 GLN HBx 1.0 . 3.03 480 462 A 44 GLN H A 44 GLN HBy 1.0 . 3.03 481 463 A 44 GLN H A 43 GLU HGx 1.0 . 5.35 482 464 A 44 GLN H A 45 ALA HB% 1.0 . 5.50 483 465 A 41 VAL HGy% A 44 GLN H 1.0 . 5.50 484 466 A 32 THR H A 47 GLN HE2x 1.0 . 4.76 485 467 A 31 TYR HD% A 47 GLN HE2x 1.0 . 5.50 486 468 A 32 THR HG2% A 47 GLN HE2x 1.0 . 4.12 487 469 A 5 TRP HBx A 5 TRP HZ3 1.0 . 5.37 488 470 A 5 TRP HZ3 A 2 PRO HDx 1.0 . 4.66 489 471 A 42 GLY HAx A 5 TRP HZ3 1.0 . 5.04 490 472 A 45 ALA HB% A 5 TRP HZ3 1.0 . 3.78 491 473 A 5 TRP HZ3 A 2 PRO HGx 1.0 . 4.71 492 474 A 46 CYS H A 20 TRP HZ3 1.0 . 4.11 493 475 A 5 TRP HZ3 A 20 TRP HZ3 1.0 . 3.58 494 476 A 20 TRP HZ3 A 20 TRP HA 1.0 . 5.50 495 477 A 45 ALA HA A 20 TRP HZ3 1.0 . 5.40 496 478 A 5 TRP HBx A 20 TRP HZ3 1.0 . 5.50 497 479 A 46 CYS HA A 20 TRP HZ3 1.0 . 3.91 498 480 A 42 GLY HAx A 20 TRP HZ3 1.0 . 5.15 499 481 A 20 TRP HZ3 A 46 CYS HBx 1.0 . 3.65 500 481 A 46 CYS HBy A 20 TRP HZ3 1.0 . 3.65 501 482 A 45 ALA HB% A 20 TRP HZ3 1.0 . 3.96 502 483 A 24 THR HG2% A 20 TRP HZ3 1.0 . 5.37 503 484 A 38 PHE HA A 6 PHE H 1.0 . 5.50 504 485 A 38 PHE HA A 6 PHE HA 1.0 . 5.32 505 486 A 38 PHE HA A 39 ASP H 1.0 . 3.14 506 487 A 38 PHE HA A 38 PHE HE% 1.0 . 5.48 507 487 A 38 PHE HA A 38 PHE HD% 1.0 . 5.48 508 488 A 38 PHE HA A 5 TRP HBy 1.0 . 4.63 509 489 A 38 PHE HA A 39 ASP HBx 1.0 . 4.86 510 490 A 38 PHE HA A 7 THR HG2% 1.0 . 3.86 511 491 A 5 TRP HA A 42 GLY H 1.0 . 5.26 512 492 A 5 TRP HA A 5 TRP HD1 1.0 . 3.07 513 493 A 5 TRP HA A 41 VAL HB 1.0 . 4.55 514 494 A 5 TRP HA A 7 THR HG2% 1.0 . 5.03 515 495 A 5 TRP HA A 4 ASP HA 1.0 . 4.71 516 496 A 5 TRP HA A 6 PHE HBx 1.0 . 5.35 517 497 A 5 TRP HA A 41 VAL HGx% 1.0 . 5.50 518 498 A 5 TRP HA A 41 VAL HGy% 1.0 . 5.50 519 499 A 51 GLN H A 25 THR HA 1.0 . 4.53 520 500 A 25 THR HA A 26 PRO HDy 1.0 . 3.33 521 501 A 25 THR HA A 26 PRO HDx 1.0 . 3.56 522 502 A 26 PRO HBy A 25 THR HA 1.0 . 5.03 523 503 A 16 SER HBx A 6 PHE HA 1.0 . 4.36 524 504 A 25 THR HG2% A 25 THR HA 1.0 . 3.44 525 505 A 7 THR HG2% A 6 PHE HA 1.0 . 4.27 526 506 A 36 SER H A 33 CYS HA 1.0 . 3.84 527 507 A 32 THR HG2% A 33 CYS HA 1.0 . 4.64 528 508 A 18 THR HG2% A 13 TYR HA 1.0 . 4.84 529 509 A 13 TYR HA A 12 ALA HB% 1.0 . 5.25 530 510 A 13 TYR HBy A 15 ASP HA 1.0 . 5.50 531 511 A 19 ALA HB% A 15 ASP HA 1.0 . 5.34 532 512 A 47 GLN H A 34 CYS HA 1.0 . 4.66 533 513 A 23 CYS HBx A 34 CYS HA 1.0 . 4.62 534 514 A 34 CYS HA A 46 CYS HBx 1.0 . 4.86 535 514 A 46 CYS HBy A 34 CYS HA 1.0 . 4.86 536 515 A 50 ALA HB% A 34 CYS HA 1.0 . 5.10 537 516 A 38 PHE H A 34 CYS HA 1.0 . 5.01 538 517 A 37 CYS HBy A 34 CYS HA 1.0 . 4.05 539 518 A 10 THR HG2% A 36 SER HA 1.0 . 4.70 540 519 A 17 ASN HD2y A 17 ASN HA 1.0 . 5.12 541 520 A 17 ASN HA A 17 ASN HBx 1.0 . 2.95 542 520 A 17 ASN HBy A 17 ASN HA 1.0 . 2.95 543 521 A 17 ASN HA A 21 THR HG2% 1.0 . 5.43 544 522 A 7 THR HA A 8 PRO HGy 1.0 . 4.48 545 523 A 7 THR HG2% A 7 THR HA 1.0 . 3.29 546 524 A 29 THR HB A 33 CYS HA 1.0 . 4.99 547 525 A 29 THR HA A 29 THR HB 1.0 . 2.99 548 526 A 29 THR HB A 33 CYS HBy 1.0 . 4.36 549 527 A 29 THR HB A 22 THR HG2% 1.0 . 4.96 550 528 A 51 GLN HA A 51 GLN HGx 1.0 . 3.59 551 529 A 51 GLN HA A 51 GLN HGy 1.0 . 4.07 552 530 A 51 GLN HA A 51 GLN HBy 1.0 . 3.00 553 531 A 50 ALA HB% A 51 GLN HA 1.0 . 4.67 554 532 A 25 THR HA A 52 CYS HA 1.0 . 5.08 555 533 A 10 THR HA A 10 THR HB 1.0 . 2.88 556 534 A 12 ALA H A 11 CYS HA 1.0 . 2.96 557 535 A 13 TYR H A 11 CYS HA 1.0 . 4.40 558 536 A 12 ALA HB% A 11 CYS HA 1.0 . 4.14 559 537 A 26 PRO HA A 25 THR H 1.0 . 5.50 560 538 A 26 PRO HA A 30 CYS HBy 1.0 . 3.84 561 539 A 30 CYS HBx A 26 PRO HA 1.0 . 4.11 562 540 A 50 ALA HB% A 49 SER HA 1.0 . 5.42 563 541 A 24 THR HG2% A 49 SER HA 1.0 . 5.31 564 542 A 29 THR HA A 28 GLN HBx 1.0 . 4.78 565 542 A 29 THR HA A 28 GLN HBy 1.0 . 4.78 566 543 A 29 THR HA A 32 THR HG2% 1.0 . 4.69 567 544 A 29 THR HA A 29 THR HG2% 1.0 . 3.09 568 545 A 29 THR HA A 28 GLN HGx 1.0 . 5.50 569 546 A 11 CYS HBy A 37 CYS HA 1.0 . 3.19 570 547 A 11 CYS HBx A 37 CYS HA 1.0 . 3.62 571 548 A 19 ALA HB% A 37 CYS HA 1.0 . 5.09 572 549 A 24 THR HA A 50 ALA HB% 1.0 . 3.20 573 550 A 24 THR HA A 25 THR HG2% 1.0 . 5.43 574 551 A 24 THR HG2% A 24 THR HA 1.0 . 3.28 575 552 A 36 SER HA A 35 SER HA 1.0 . 5.18 576 553 A 34 CYS HBy A 35 SER HA 1.0 . 5.50 577 554 A 35 SER HA A 43 GLU HGy 1.0 . 4.25 578 555 A 43 GLU HGx A 35 SER HA 1.0 . 3.80 579 556 A 38 PHE H A 35 SER HA 1.0 . 5.10 580 557 A 10 THR HA A 9 ASP HA 1.0 . 4.53 581 558 A 10 THR HA A 9 ASP HBy 1.0 . 5.17 582 559 A 43 GLU HBy A 35 SER HA 1.0 . 4.22 583 560 A 43 GLU HBx A 35 SER HA 1.0 . 4.54 584 561 A 39 ASP HA A 40 VAL H 1.0 . 3.02 585 562 A 41 VAL H A 39 ASP HA 1.0 . 4.68 586 563 A 39 ASP HA A 40 VAL HA 1.0 . 4.27 587 564 A 39 ASP HA A 39 ASP HBy 1.0 . 2.93 588 565 A 39 ASP HA A 38 PHE HBy 1.0 . 4.98 589 566 A 39 ASP HA A 39 ASP HBx 1.0 . 2.98 590 567 A 39 ASP HA A 7 THR HG2% 1.0 . 3.35 591 568 A 48 MET HGx A 48 MET HA 1.0 . 3.69 592 569 A 48 MET HA A 48 MET HBx 1.0 . 2.97 593 569 A 48 MET HBy A 48 MET HA 1.0 . 2.97 594 570 A 23 CYS HA A 33 CYS H 1.0 . 5.18 595 571 A 23 CYS HA A 30 CYS HA 1.0 . 3.30 596 572 A 23 CYS HA A 22 THR HG2% 1.0 . 4.52 597 573 A 10 THR HG2% A 9 ASP HA 1.0 . 5.09 598 574 A 25 THR HB A 26 PRO HDy 1.0 . 3.52 599 575 A 25 THR HG2% A 26 PRO HDy 1.0 . 4.09 600 576 A 50 ALA HA A 51 GLN HA 1.0 . 4.77 601 577 A 50 ALA HA A 51 GLN H 1.0 . 2.74 602 578 A 24 THR HA A 50 ALA HA 1.0 . 2.76 603 579 A 50 ALA HA A 51 GLN HGx 1.0 . 5.27 604 580 A 10 THR H A 7 THR HB 1.0 . 4.48 605 581 A 28 GLN HGx A 28 GLN HA 1.0 . 3.79 606 582 A 28 GLN HA A 28 GLN HBx 1.0 . 2.91 607 582 A 28 GLN HBy A 28 GLN HA 1.0 . 2.91 608 583 A 29 THR HG2% A 28 GLN HA 1.0 . 4.59 609 584 A 21 THR HB A 18 THR HA 1.0 . 3.73 610 585 A 15 ASP HA A 14 GLY HAy 1.0 . 5.33 611 586 A 31 TYR HBy A 50 ALA HB% 1.0 . 4.35 612 587 A 19 ALA HB% A 20 TRP HA 1.0 . 4.65 613 588 A 24 THR HG2% A 20 TRP HA 1.0 . 4.58 614 589 A 3 GLU HA A 6 PHE HD% 1.0 . 5.50 615 590 A 3 GLU HA A 6 PHE HBx 1.0 . 4.38 616 591 A 3 GLU HA A 6 PHE H 1.0 . 4.67 617 592 A 45 ALA HA A 44 GLN HGx 1.0 . 5.13 618 593 A 45 ALA HA A 48 MET HBx 1.0 . 3.81 619 593 A 45 ALA HA A 48 MET HBy 1.0 . 3.81 620 594 A 44 GLN H A 45 ALA HA 1.0 . 5.16 621 595 A 45 ALA HA A 48 MET HGy 1.0 . 4.67 622 596 A 45 ALA HA A 48 MET HGx 1.0 . 4.67 623 597 A 45 ALA HA A 44 GLN HBx 1.0 . 5.16 624 597 A 45 ALA HA A 44 GLN HBy 1.0 . 5.16 625 598 A 19 ALA HA A 38 PHE HE% 1.0 . 5.50 626 598 A 19 ALA HA A 38 PHE HD% 1.0 . 5.50 627 599 A 31 TYR HD% A 32 THR HA 1.0 . 3.54 628 600 A 47 GLN HE2x A 32 THR HA 1.0 . 5.28 629 601 A 19 ALA HA A 22 THR HB 1.0 . 3.60 630 602 A 13 TYR HBy A 19 ALA HA 1.0 . 4.11 631 603 A 19 ALA HA A 13 TYR HBx 1.0 . 4.02 632 604 A 49 SER HBy A 50 ALA HB% 1.0 . 5.35 633 605 A 32 THR HG2% A 32 THR HA 1.0 . 2.97 634 606 A 18 THR HG2% A 19 ALA HA 1.0 . 4.46 635 607 A 19 ALA HA A 22 THR HG2% 1.0 . 4.78 636 608 A 49 SER HBy A 20 TRP HH2 1.0 . 4.99 637 609 A 48 MET H A 44 GLN HA 1.0 . 4.62 638 610 A 44 GLN HA A 44 GLN HGy 1.0 . 3.91 639 611 A 44 GLN HA A 44 GLN HGx 1.0 . 3.92 640 612 A 44 GLN HA A 47 GLN HBy 1.0 . 3.68 641 613 A 5 TRP H A 2 PRO HA 1.0 . 4.34 642 614 A 2 PRO HA A 5 TRP HE3 1.0 . 3.35 643 615 A 2 PRO HA A 5 TRP HZ3 1.0 . 4.36 644 616 A 2 PRO HA A 20 TRP HZ3 1.0 . 4.89 645 617 A 2 PRO HA A 1 ASN HBx 1.0 . 5.38 646 617 A 1 ASN HBy A 2 PRO HA 1.0 . 5.38 647 618 A 42 GLY H A 40 VAL HA 1.0 . 4.85 648 619 A 44 GLN H A 40 VAL HA 1.0 . 4.46 649 620 A 40 VAL HA A 39 ASP HBx 1.0 . 5.09 650 621 A 40 VAL HA A 40 VAL HB 1.0 . 2.81 651 622 A 40 VAL HA A 40 VAL HGy% 1.0 . 3.15 652 623 A 40 VAL HA A 40 VAL HGx% 1.0 . 3.31 653 624 A 41 VAL HGx% A 40 VAL HA 1.0 . 5.04 654 625 A 19 ALA H A 18 THR HB 1.0 . 3.45 655 626 A 17 ASN H A 18 THR HB 1.0 . 5.00 656 627 A 18 THR HB A 15 ASP H 1.0 . 3.94 657 628 A 13 TYR HA A 14 GLY HAx 1.0 . 4.37 658 629 A 18 THR HB A 13 TYR HBy 1.0 . 3.94 659 630 A 19 ALA HB% A 18 THR HB 1.0 . 4.93 660 631 A 18 THR HB A 13 TYR HD% 1.0 . 4.85 661 632 A 18 THR HB A 15 ASP HA 1.0 . 5.09 662 633 A 18 THR HB A 17 ASN HBx 1.0 . 4.90 663 633 A 18 THR HB A 17 ASN HBy 1.0 . 4.90 664 634 A 27 GLY HAx A 28 GLN HBx 1.0 . 4.90 665 634 A 27 GLY HAx A 28 GLN HBy 1.0 . 4.90 666 635 A 35 SER H A 35 SER HBx 1.0 . 3.70 667 636 A 18 THR HA A 17 ASN HBx 1.0 . 4.43 668 636 A 17 ASN HBy A 18 THR HA 1.0 . 4.43 669 637 A 18 THR HA A 21 THR HG2% 1.0 . 4.49 670 638 A 18 THR HG2% A 18 THR HA 1.0 . 3.18 671 639 A 49 SER HBx A 50 ALA H 1.0 . 4.04 672 640 A 49 SER HBx A 24 THR HG2% 1.0 . 3.94 673 641 A 49 SER HBx A 50 ALA HB% 1.0 . 5.50 674 642 A 30 CYS HA A 29 THR H 1.0 . 5.29 675 643 A 30 CYS HA A 50 ALA HB% 1.0 . 5.33 676 644 A 30 CYS HA A 22 THR HG2% 1.0 . 5.50 677 645 A 32 THR H A 30 CYS HA 1.0 . 4.71 678 646 A 39 ASP H A 5 TRP HBy 1.0 . 4.01 679 647 A 42 GLY H A 5 TRP HBy 1.0 . 4.02 680 648 A 41 VAL H A 5 TRP HBy 1.0 . 5.06 681 649 A 42 GLY HAx A 5 TRP HBy 1.0 . 4.02 682 650 A 31 TYR HE% A 31 TYR HA 1.0 . 5.32 683 651 A 50 ALA HB% A 31 TYR HA 1.0 . 3.73 684 652 A 46 CYS H A 43 GLU HA 1.0 . 4.29 685 653 A 43 GLU HA A 46 CYS HBx 1.0 . 4.19 686 653 A 46 CYS HBy A 43 GLU HA 1.0 . 4.19 687 654 A 43 GLU HA A 47 GLN HGy 1.0 . 4.98 688 655 A 43 GLU HA A 43 GLU HGy 1.0 . 4.27 689 656 A 33 CYS HA A 36 SER HBx 1.0 . 4.98 690 657 A 10 THR HG2% A 36 SER HBx 1.0 . 5.50 691 658 A 27 GLY H A 30 CYS HBy 1.0 . 3.74 692 659 A 29 THR H A 30 CYS HBy 1.0 . 4.82 693 660 A 7 THR HA A 8 PRO HDy 1.0 . 2.99 694 661 A 7 THR HG2% A 8 PRO HDy 1.0 . 4.67 695 662 A 21 THR HA A 20 TRP HBy 1.0 . 4.52 696 662 A 21 THR HA A 20 TRP HBx 1.0 . 4.52 697 663 A 21 THR HA A 25 THR HG2% 1.0 . 3.87 698 664 A 21 THR HA A 21 THR HG2% 1.0 . 3.13 699 665 A 21 THR HA A 24 THR HG2% 1.0 . 4.56 700 666 A 25 THR HB A 26 PRO HDx 1.0 . 3.22 701 667 A 22 THR HA A 24 THR H 1.0 . 4.91 702 668 A 25 THR HG2% A 26 PRO HDx 1.0 . 3.98 703 669 A 21 THR HG2% A 22 THR HA 1.0 . 4.29 704 670 A 18 THR HG2% A 22 THR HA 1.0 . 5.50 705 671 A 22 THR HA A 22 THR HG2% 1.0 . 3.12 706 672 A 15 ASP HA A 16 SER HBy 1.0 . 5.38 707 673 A 3 GLU HA A 16 SER HBy 1.0 . 3.67 708 674 A 5 TRP HBx A 6 PHE H 1.0 . 4.23 709 675 A 38 PHE HA A 5 TRP HBx 1.0 . 5.23 710 676 A 17 ASN H A 16 SER HBy 1.0 . 5.13 711 677 A 5 TRP HBx A 2 PRO HA 1.0 . 4.00 712 678 A 42 GLY HAx A 5 TRP HBx 1.0 . 4.29 713 679 A 16 SER HBy A 3 GLU HGy 1.0 . 4.46 714 680 A 5 TRP HBx A 2 PRO HBx 1.0 . 4.80 715 681 A 41 VAL HA A 40 VAL HGy% 1.0 . 4.71 716 682 A 41 VAL HA A 40 VAL HGx% 1.0 . 4.35 717 683 A 41 VAL HA A 41 VAL HGy% 1.0 . 3.19 718 684 A 20 TRP HE1 A 20 TRP HBy 1.0 . 5.32 719 684 A 20 TRP HE1 A 20 TRP HBx 1.0 . 5.32 720 685 A 17 ASN HA A 20 TRP HBy 1.0 . 3.57 721 685 A 17 ASN HA A 20 TRP HBx 1.0 . 3.57 722 686 A 2 PRO HBy A 20 TRP HBy 1.0 . 3.85 723 686 A 20 TRP HBx A 2 PRO HBy 1.0 . 3.85 724 687 A 19 ALA HB% A 20 TRP HBy 1.0 . 4.29 725 687 A 19 ALA HB% A 20 TRP HBx 1.0 . 4.29 726 688 A 18 THR HG2% A 22 THR HB 1.0 . 4.62 727 689 A 2 PRO HGx A 20 TRP HBy 1.0 . 4.69 728 689 A 20 TRP HBx A 2 PRO HGx 1.0 . 4.69 729 690 A 24 THR HG2% A 20 TRP HBy 1.0 . 5.50 730 690 A 24 THR HG2% A 20 TRP HBx 1.0 . 5.50 731 691 A 32 THR HG2% A 33 CYS HBx 1.0 . 5.50 732 692 A 52 CYS H A 52 CYS HBy 1.0 . 3.65 733 693 A 12 ALA H A 11 CYS HBy 1.0 . 4.63 734 694 A 29 THR HG2% A 33 CYS HBx 1.0 . 4.71 735 695 A 10 THR H A 11 CYS HBy 1.0 . 4.81 736 696 A 41 VAL H A 39 ASP HBy 1.0 . 4.57 737 697 A 39 ASP HBy A 40 VAL HB 1.0 . 4.59 738 698 A 40 VAL HGy% A 39 ASP HBy 1.0 . 5.02 739 699 A 1 ASN HD2y A 1 ASN HA 1.0 . 5.05 740 700 A 5 TRP HZ2 A 1 ASN HA 1.0 . 5.40 741 701 A 5 TRP HH2 A 1 ASN HA 1.0 . 4.55 742 702 A 1 ASN HD2x A 1 ASN HA 1.0 . 5.37 743 703 A 5 TRP HZ3 A 1 ASN HA 1.0 . 4.61 744 704 A 2 PRO HDy A 1 ASN HA 1.0 . 3.90 745 705 A 2 PRO HDx A 1 ASN HA 1.0 . 3.40 746 706 A 1 ASN HA A 2 PRO HGy 1.0 . 4.75 747 707 A 2 PRO HGx A 1 ASN HA 1.0 . 4.80 748 708 A 50 ALA H A 47 GLN HA 1.0 . 4.08 749 709 A 31 TYR HD% A 47 GLN HA 1.0 . 3.72 750 710 A 44 GLN HA A 47 GLN HA 1.0 . 5.50 751 711 A 47 GLN HGy A 47 GLN HA 1.0 . 3.82 752 712 A 50 ALA HB% A 47 GLN HA 1.0 . 3.74 753 713 A 6 PHE HZ A 8 PRO HA 1.0 . 4.57 754 714 A 10 THR H A 8 PRO HA 1.0 . 5.04 755 715 A 32 THR H A 31 TYR HBx 1.0 . 3.84 756 716 A 19 ALA HB% A 13 TYR HBy 1.0 . 4.09 757 717 A 31 TYR HBx A 50 ALA HB% 1.0 . 3.96 758 718 A 18 THR HG2% A 13 TYR HBy 1.0 . 3.68 759 719 A 17 ASN H A 16 SER HBx 1.0 . 5.31 760 720 A 16 SER HBx A 3 GLU HGy 1.0 . 5.38 761 721 A 16 SER HBx A 6 PHE HD% 1.0 . 4.80 762 722 A 34 CYS HBy A 43 GLU HGx 1.0 . 5.08 763 723 A 34 CYS HBy A 46 CYS HBx 1.0 . 4.00 764 723 A 46 CYS HBy A 34 CYS HBy 1.0 . 4.00 765 724 A 34 CYS HBy A 47 GLN HGy 1.0 . 4.50 766 725 A 34 CYS HBy A 47 GLN HGx 1.0 . 4.80 767 726 A 42 GLY HAy A 20 TRP HZ3 1.0 . 5.11 768 727 A 24 THR HA A 23 CYS HBy 1.0 . 5.50 769 728 A 24 THR HG2% A 23 CYS HBy 1.0 . 4.94 770 729 A 23 CYS HBy A 24 THR H 1.0 . 4.94 771 730 A 45 ALA H A 42 GLY HAy 1.0 . 4.75 772 731 A 5 TRP HA A 42 GLY HAy 1.0 . 5.08 773 732 A 38 PHE HA A 42 GLY HAy 1.0 . 5.10 774 733 A 45 ALA HB% A 42 GLY HAy 1.0 . 4.55 775 734 A 43 GLU H A 38 PHE HBy 1.0 . 4.21 776 735 A 42 GLY H A 38 PHE HBy 1.0 . 4.33 777 736 A 34 CYS H A 37 CYS HBy 1.0 . 4.91 778 737 A 5 TRP HA A 38 PHE HBy 1.0 . 5.31 779 738 A 38 PHE HBy A 7 THR HG2% 1.0 . 5.41 780 739 A 2 PRO HDy A 5 TRP HZ3 1.0 . 5.40 781 740 A 2 PRO HDy A 1 ASN HBx 1.0 . 3.64 782 740 A 2 PRO HDy A 1 ASN HBy 1.0 . 3.64 783 741 A 48 MET H A 46 CYS HA 1.0 . 5.22 784 742 A 50 ALA H A 46 CYS HA 1.0 . 4.91 785 743 A 20 TRP HH2 A 46 CYS HA 1.0 . 3.79 786 744 A 46 CYS HA A 49 SER HA 1.0 . 5.24 787 745 A 49 SER HBy A 46 CYS HA 1.0 . 4.51 788 746 A 49 SER HBx A 46 CYS HA 1.0 . 3.86 789 747 A 50 ALA HB% A 46 CYS HA 1.0 . 5.50 790 748 A 24 THR HG2% A 46 CYS HA 1.0 . 3.77 791 749 A 16 SER HA A 20 TRP H 1.0 . 4.41 792 750 A 19 ALA H A 16 SER HA 1.0 . 3.92 793 751 A 16 SER HA A 6 PHE HE% 1.0 . 4.97 794 752 A 16 SER HA A 6 PHE HD% 1.0 . 4.28 795 753 A 16 SER HA A 15 ASP H 1.0 . 5.50 796 754 A 16 SER HA A 6 PHE HZ 1.0 . 4.91 797 755 A 16 SER HA A 15 ASP HA 1.0 . 4.48 798 756 A 16 SER HA A 17 ASN HA 1.0 . 5.25 799 757 A 16 SER HA A 3 GLU HA 1.0 . 4.69 800 758 A 16 SER HA A 6 PHE HBy 1.0 . 4.51 801 759 A 19 ALA HB% A 16 SER HA 1.0 . 3.37 802 760 A 42 GLY H A 38 PHE HBx 1.0 . 4.93 803 761 A 43 GLU H A 38 PHE HBx 1.0 . 4.29 804 762 A 39 ASP H A 38 PHE HBx 1.0 . 4.22 805 763 A 34 CYS HA A 38 PHE HBx 1.0 . 5.22 806 764 A 29 THR HA A 30 CYS HBx 1.0 . 5.42 807 765 A 30 CYS HBx A 29 THR H 1.0 . 5.37 808 766 A 30 CYS HBx A 52 CYS HBy 1.0 . 3.97 809 767 A 30 CYS HBx A 52 CYS HBx 1.0 . 4.34 810 768 A 34 CYS HBx A 47 GLN HGy 1.0 . 4.43 811 769 A 34 CYS HBx A 43 GLU HGx 1.0 . 5.20 812 770 A 34 CYS HBx A 47 GLN HGx 1.0 . 4.71 813 771 A 34 CYS HBx A 47 GLN HE2y 1.0 . 5.37 814 772 A 5 TRP HH2 A 2 PRO HDx 1.0 . 5.50 815 773 A 2 PRO HDx A 1 ASN HBx 1.0 . 3.90 816 773 A 1 ASN HBy A 2 PRO HDx 1.0 . 3.90 817 774 A 13 TYR H A 11 CYS HBx 1.0 . 4.16 818 775 A 11 CYS HBx A 10 THR H 1.0 . 4.80 819 776 A 11 CYS HBx A 8 PRO HA 1.0 . 3.87 820 777 A 16 SER H A 17 ASN HBx 1.0 . 5.25 821 777 A 17 ASN HBy A 16 SER H 1.0 . 5.25 822 778 A 17 ASN HD2y A 17 ASN HBx 1.0 . 3.39 823 778 A 17 ASN HD2y A 17 ASN HBy 1.0 . 3.39 824 779 A 17 ASN HD2x A 17 ASN HBx 1.0 . 3.97 825 779 A 17 ASN HBy A 17 ASN HD2x 1.0 . 3.97 826 780 A 23 CYS HBx A 20 TRP HA 1.0 . 4.55 827 781 A 24 THR H A 23 CYS HBx 1.0 . 4.65 828 782 A 24 THR HG2% A 23 CYS HBx 1.0 . 4.68 829 783 A 16 SER HA A 15 ASP HBy 1.0 . 5.50 830 784 A 17 ASN H A 15 ASP HBy 1.0 . 4.30 831 785 A 5 TRP HA A 39 ASP HBx 1.0 . 5.29 832 786 A 19 ALA HB% A 37 CYS HBx 1.0 . 3.69 833 787 A 6 PHE HZ A 8 PRO HDx 1.0 . 5.50 834 788 A 7 THR HB A 8 PRO HDx 1.0 . 5.23 835 789 A 7 THR HA A 8 PRO HDx 1.0 . 3.32 836 790 A 14 GLY H A 13 TYR HBx 1.0 . 4.45 837 791 A 15 ASP HBx A 17 ASN H 1.0 . 4.67 838 792 A 19 ALA HB% A 13 TYR HBx 1.0 . 3.82 839 793 A 15 ASP HBx A 18 THR HB 1.0 . 4.30 840 794 A 9 ASP H A 9 ASP HBy 1.0 . 3.42 841 795 A 10 THR HG2% A 9 ASP HBy 1.0 . 4.26 842 796 A 10 THR HA A 9 ASP HBx 1.0 . 5.22 843 797 A 9 ASP HBx A 10 THR HG2% 1.0 . 4.24 844 798 A 45 ALA HB% A 42 GLY HAx 1.0 . 3.80 845 799 A 41 VAL HGy% A 42 GLY HAx 1.0 . 4.63 846 800 A 52 CYS HBx A 30 CYS HBy 1.0 . 4.94 847 801 A 4 ASP HBy A 3 GLU H 1.0 . 5.31 848 802 A 28 GLN HGy A 28 GLN HA 1.0 . 4.19 849 803 A 20 TRP HH2 A 46 CYS HBx 1.0 . 4.70 850 803 A 20 TRP HH2 A 46 CYS HBy 1.0 . 4.70 851 804 A 20 TRP HE3 A 46 CYS HBx 1.0 . 4.70 852 804 A 46 CYS HBy A 20 TRP HE3 1.0 . 4.70 853 805 A 24 THR HG2% A 46 CYS HBx 1.0 . 4.95 854 805 A 24 THR HG2% A 46 CYS HBy 1.0 . 4.95 855 806 A 4 ASP H A 3 GLU HGy 1.0 . 5.50 856 807 A 49 SER HA A 48 MET HBx 1.0 . 4.78 857 807 A 48 MET HBy A 49 SER HA 1.0 . 4.78 858 808 A 41 VAL H A 40 VAL HB 1.0 . 4.26 859 809 A 43 GLU HBy A 38 PHE HBx 1.0 . 4.71 860 810 A 51 GLN H A 51 GLN HBy 1.0 . 3.80 861 811 A 44 GLN H A 43 GLU HBy 1.0 . 4.05 862 812 A 40 VAL HA A 43 GLU HBy 1.0 . 3.88 863 813 A 25 THR HA A 26 PRO HGx 1.0 . 4.77 864 813 A 25 THR HA A 26 PRO HGy 1.0 . 4.77 865 814 A 25 THR HB A 26 PRO HGx 1.0 . 4.32 866 814 A 25 THR HB A 26 PRO HGy 1.0 . 4.32 867 815 A 41 VAL HA A 44 GLN HBx 1.0 . 4.26 868 815 A 41 VAL HA A 44 GLN HBy 1.0 . 4.26 869 816 A 40 VAL HA A 43 GLU HBx 1.0 . 3.55 870 817 A 43 GLU HBx A 40 VAL HGy% 1.0 . 5.50 871 818 A 1 ASN HD2x A 3 GLU HBx 1.0 . 5.50 872 818 A 1 ASN HD2x A 3 GLU HBy 1.0 . 5.50 873 819 A 3 GLU H A 3 GLU HBx 1.0 . 3.50 874 819 A 3 GLU H A 3 GLU HBy 1.0 . 3.50 875 820 A 6 PHE H A 4 ASP HBx 1.0 . 5.34 876 821 A 5 TRP HA A 4 ASP HBx 1.0 . 5.20 877 822 A 3 GLU H A 4 ASP HBx 1.0 . 3.94 878 823 A 4 ASP HBx A 1 ASN HD2x 1.0 . 5.20 879 824 A 9 ASP HA A 8 PRO HBx 1.0 . 4.79 880 825 A 41 VAL HB A 40 VAL HGx% 1.0 . 4.96 881 826 A 41 VAL HB A 40 VAL HGy% 1.0 . 5.50 882 827 A 7 THR HA A 8 PRO HGx 1.0 . 4.54 883 828 A 5 TRP H A 2 PRO HBx 1.0 . 5.50 884 829 A 48 MET HA A 47 GLN HBx 1.0 . 5.50 885 830 A 47 GLN H A 47 GLN HBx 1.0 . 3.54 886 831 A 48 MET H A 47 GLN HBx 1.0 . 4.12 887 832 A 19 ALA HB% A 17 ASN HA 1.0 . 5.48 888 833 A 19 ALA HB% A 18 THR HA 1.0 . 5.50 889 834 A 19 ALA HB% A 16 SER HBy 1.0 . 5.50 890 835 A 19 ALA HB% A 37 CYS HBy 1.0 . 4.32 891 836 A 19 ALA HB% A 18 THR HG2% 1.0 . 5.30 892 837 A 19 ALA HB% A 13 TYR HA 1.0 . 5.35 893 838 A 19 ALA HB% A 22 THR HG2% 1.0 . 5.50 894 839 A 43 GLU H A 43 GLU HGy 1.0 . 4.97 895 840 A 44 GLN H A 43 GLU HGy 1.0 . 4.81 896 841 A 47 GLN HE2x A 43 GLU HGy 1.0 . 5.05 897 842 A 40 VAL HA A 43 GLU HGy 1.0 . 5.20 898 843 A 34 CYS HBy A 43 GLU HGy 1.0 . 5.50 899 844 A 32 THR H A 50 ALA HB% 1.0 . 5.50 900 845 A 50 ALA HB% A 24 THR H 1.0 . 5.50 901 846 A 23 CYS HBy A 50 ALA HB% 1.0 . 5.50 902 847 A 43 GLU H A 43 GLU HGx 1.0 . 5.08 903 848 A 44 GLN HA A 43 GLU HGx 1.0 . 5.38 904 849 A 40 VAL HA A 43 GLU HGx 1.0 . 5.35 905 850 A 47 GLN HE2x A 43 GLU HGx 1.0 . 5.44 906 851 A 32 THR HG2% A 29 THR HB 1.0 . 5.39 907 852 A 32 THR HG2% A 29 THR HG2% 1.0 . 4.78 908 853 A 25 THR HG2% A 26 PRO HGx 1.0 . 5.10 909 853 A 25 THR HG2% A 26 PRO HGy 1.0 . 5.10 910 854 A 24 THR HG2% A 25 THR HG2% 1.0 . 5.36 911 855 A 25 THR HG2% A 51 GLN H 1.0 . 5.48 912 856 A 20 TRP HE3 A 2 PRO HGy 1.0 . 5.20 913 857 A 3 GLU H A 2 PRO HGy 1.0 . 5.07 914 858 A 21 THR HG2% A 20 TRP HD1 1.0 . 4.36 915 859 A 21 THR HG2% A 25 THR HB 1.0 . 5.30 916 860 A 41 VAL HA A 45 ALA HB% 1.0 . 5.17 917 861 A 21 THR HG2% A 17 ASN HBx 1.0 . 5.33 918 861 A 17 ASN HBy A 21 THR HG2% 1.0 . 5.33 919 862 A 45 ALA HB% A 5 TRP HBy 1.0 . 5.50 920 863 A 45 ALA HB% A 48 MET HBx 1.0 . 5.33 921 863 A 45 ALA HB% A 48 MET HBy 1.0 . 5.33 922 864 A 45 ALA HB% A 44 GLN HBx 1.0 . 4.86 923 864 A 45 ALA HB% A 44 GLN HBy 1.0 . 4.86 924 865 A 15 ASP HBx A 18 THR HG2% 1.0 . 4.10 925 866 A 28 GLN HGy A 29 THR HG2% 1.0 . 4.30 926 867 A 29 THR HG2% A 28 GLN HBx 1.0 . 3.87 927 867 A 28 GLN HBy A 29 THR HG2% 1.0 . 3.87 928 868 A 40 VAL HGy% A 40 VAL H 1.0 . 3.58 929 869 A 40 VAL HGy% A 39 ASP HBx 1.0 . 5.50 930 870 A 7 THR HG2% A 10 THR H 1.0 . 5.50 931 871 A 41 VAL HGy% A 40 VAL HGx% 1.0 . 5.30 932 872 A 40 VAL HGx% A 39 ASP HBy 1.0 . 3.94 933 873 A 40 VAL HGx% A 39 ASP HBx 1.0 . 3.64 934 874 A 7 THR HG2% A 8 PRO HDx 1.0 . 5.14 935 875 A 41 VAL HGx% A 39 ASP HA 1.0 . 5.50 936 876 A 41 VAL HA A 41 VAL HGx% 1.0 . 3.09 937 877 A 41 VAL HGx% A 40 VAL HB 1.0 . 4.90 938 878 A 50 ALA HB% A 47 GLN HGx 1.0 . 5.50 939 879 A 48 MET H A 47 GLN HGx 1.0 . 5.18 940 880 A 44 GLN HA A 47 GLN HGx 1.0 . 5.20 941 881 A 47 GLN HGx A 47 GLN HA 1.0 . 3.72 942 882 A 18 THR HG2% A 22 THR HG2% 1.0 . 4.63 943 883 A 41 VAL HGy% A 44 GLN HBx 1.0 . 5.50 944 883 A 41 VAL HGy% A 44 GLN HBy 1.0 . 5.50 945 884 A 41 VAL HGy% A 42 GLY HAy 1.0 . 5.42 946 885 A 20 TRP HZ3 A 2 PRO HGx 1.0 . 5.50 947 886 A 5 TRP HE3 A 2 PRO HGx 1.0 . 5.19 948 887 A 2 PRO HGx A 1 ASN HBx 1.0 . 5.49 949 887 A 1 ASN HBy A 2 PRO HGx 1.0 . 5.49 950 888 A 24 THR HG2% A 51 GLN H 1.0 . 4.70 951 889 A 49 SER HBy A 24 THR HG2% 1.0 . 4.09 952 890 A 24 THR HG2% A 50 ALA HB% 1.0 . 3.99 953 891 A 24 THR HG2% A 21 THR HG2% 1.0 . 5.50 stop_ save_