data_nef_c34014_5lcs 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 5LCS 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 40 CYS SG 1 18 CYS SG 1 33 CYS SG 1 23 CYS SG 1 41 CYS SG 1 1 PCA C 1 2 PRO N 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 PCA start -OXT . 2 A 2 PRO middle -H false 3 A 3 PHE middle . . 4 A 4 ILE middle . . 5 A 5 PRO middle . false 6 A 6 ARG middle . . 7 A 7 PRO middle . false 8 A 8 ILE middle . . 9 A 9 ASP middle . . 10 A 10 THR middle . . 11 A 11 CYS middle -HG . 12 A 12 ARG middle . . 13 A 13 LEU middle . . 14 A 14 ARG middle . . 15 A 15 ASN middle . . 16 A 16 GLY middle . false 17 A 17 ILE middle . . 18 A 18 CYS middle -HG . 19 A 19 PHE middle . . 20 A 20 PRO middle . false 21 A 21 GLY middle . false 22 A 22 ILE middle . . 23 A 23 CYS middle -HG . 24 A 24 ARG middle . . 25 A 25 ARG middle . . 26 A 26 PRO middle . true 27 A 27 TYR middle . . 28 A 28 TYR middle . . 29 A 29 TRP middle . . 30 A 30 ILE middle . . 31 A 31 GLY middle . false 32 A 32 THR middle . . 33 A 33 CYS middle -HG . 34 A 34 ASN middle . . 35 A 35 ASN middle . . 36 A 36 GLY middle . false 37 A 37 ILE middle . . 38 A 38 GLY middle . false 39 A 39 SER middle . . 40 A 40 CYS middle -HG . 41 A 41 CYS middle -HG . 42 A 42 ALA middle . . 43 A 43 ARG middle . . 44 A 44 GLY middle . false 45 A 45 TRP middle . . 46 A 46 ARG middle . . 47 A 47 SER end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 PCA HA H 1 4.663 0.01 A 1 PCA HB2 H 1 2.585 0.01 A 1 PCA HB3 H 1 2.001 0.01 A 1 PCA HG2 H 1 2.415 0.01 A 1 PCA HG3 H 1 2.416 0.01 A 1 PCA CB C 13 24.155 0.2 A 1 PCA CG C 13 29.208 0.2 A 2 PRO HA H 1 4.415 0.01 A 2 PRO HB2 H 1 2.232 0.01 A 2 PRO HB3 H 1 1.817 0.01 A 2 PRO HD2 H 1 3.692 0.01 A 2 PRO HD3 H 1 3.600 0.01 A 2 PRO HG2 H 1 1.991 0.01 A 2 PRO HG3 H 1 1.991 0.01 A 2 PRO CA C 13 60.483 0.2 A 2 PRO CB C 13 29.164 0.2 A 2 PRO CD C 13 47.362 0.2 A 2 PRO CG C 13 24.557 0.2 A 3 PHE H H 1 8.176 0.01 A 3 PHE HA H 1 4.595 0.01 A 3 PHE HB2 H 1 3.111 0.01 A 3 PHE HB3 H 1 2.996 0.01 A 3 PHE HD1 H 1 7.214 0.01 A 3 PHE HD2 H 1 7.214 0.01 A 3 PHE HE1 H 1 7.315 0.01 A 3 PHE HE2 H 1 7.315 0.01 A 3 PHE HZ H 1 7.336 0.01 A 3 PHE CB C 13 36.775 0.2 A 3 PHE CD1 C 13 129.135 0.2 A 3 PHE CD2 C 13 129.135 0.2 A 3 PHE CZ C 13 128.688 0.2 A 3 PHE N N 15 120.027 0.2 A 4 ILE H H 1 7.916 0.01 A 4 ILE HA H 1 4.372 0.01 A 4 ILE HB H 1 1.727 0.01 A 4 ILE HD1% H 1 0.839 0.01 A 4 ILE HG12 H 1 1.410 0.01 A 4 ILE HG13 H 1 1.073 0.01 A 4 ILE HG2% H 1 0.838 0.01 A 4 ILE CA C 13 55.112 0.2 A 4 ILE CB C 13 36.274 0.2 A 4 ILE CD1 C 13 10.268 0.2 A 4 ILE CG1 C 13 24.264 0.2 A 4 ILE CG2 C 13 14.104 0.2 A 4 ILE N N 15 126.519 0.2 A 5 PRO HA H 1 4.276 0.01 A 5 PRO HB2 H 1 2.288 0.01 A 5 PRO HB3 H 1 1.872 0.01 A 5 PRO HD2 H 1 3.661 0.01 A 5 PRO HD3 H 1 3.635 0.01 A 5 PRO HG2 H 1 1.982 0.01 A 5 PRO HG3 H 1 1.982 0.01 A 5 PRO CA C 13 60.162 0.2 A 5 PRO CB C 13 29.348 0.2 A 5 PRO CD C 13 48.217 0.2 A 5 PRO CG C 13 24.540 0.2 A 6 ARG H H 1 8.317 0.01 A 6 ARG HA H 1 4.592 0.01 A 6 ARG HB2 H 1 1.831 0.01 A 6 ARG HB3 H 1 1.831 0.01 A 6 ARG HD2 H 1 3.221 0.01 A 6 ARG HD3 H 1 3.221 0.01 A 6 ARG HE H 1 7.195 0.01 A 6 ARG HG2 H 1 1.716 0.01 A 6 ARG HG3 H 1 1.716 0.01 A 6 ARG CB C 13 27.236 0.2 A 6 ARG CD C 13 40.525 0.2 A 6 ARG CG C 13 24.259 0.2 A 6 ARG N N 15 122.140 0.2 A 7 PRO HA H 1 4.431 0.01 A 7 PRO HB2 H 1 2.273 0.01 A 7 PRO HB3 H 1 1.863 0.01 A 7 PRO HD2 H 1 3.798 0.01 A 7 PRO HD3 H 1 3.614 0.01 A 7 PRO HG2 H 1 2.014 0.01 A 7 PRO HG3 H 1 2.014 0.01 A 7 PRO CA C 13 60.483 0.2 A 7 PRO CB C 13 29.334 0.2 A 7 PRO CD C 13 47.844 0.2 A 7 PRO CG C 13 24.534 0.2 A 8 ILE H H 1 8.241 0.01 A 8 ILE HA H 1 4.086 0.01 A 8 ILE HB H 1 1.801 0.01 A 8 ILE HD1% H 1 0.879 0.01 A 8 ILE HG12 H 1 1.504 0.01 A 8 ILE HG13 H 1 1.198 0.01 A 8 ILE HG2% H 1 0.872 0.01 A 8 ILE CA C 13 58.282 0.2 A 8 ILE CB C 13 36.277 0.2 A 8 ILE CD1 C 13 10.247 0.2 A 8 ILE CG1 C 13 24.671 0.2 A 8 ILE CG2 C 13 14.791 0.2 A 8 ILE N N 15 121.121 0.2 A 9 ASP H H 1 8.322 0.01 A 9 ASP HA H 1 4.764 0.01 A 9 ASP HB2 H 1 2.865 0.01 A 9 ASP HB3 H 1 2.666 0.01 A 9 ASP CA C 13 50.651 0.2 A 9 ASP CB C 13 38.673 0.2 A 9 ASP N N 15 125.097 0.2 A 10 THR H H 1 8.359 0.01 A 10 THR HA H 1 3.981 0.01 A 10 THR HB H 1 4.312 0.01 A 10 THR HG2% H 1 1.242 0.01 A 10 THR CA C 13 61.403 0.2 A 10 THR CB C 13 65.998 0.2 A 10 THR CG2 C 13 19.280 0.2 A 10 THR N N 15 116.733 0.2 A 11 CYS H H 1 8.444 0.01 A 11 CYS HA H 1 4.368 0.01 A 11 CYS HB2 H 1 3.081 0.01 A 11 CYS HB3 H 1 3.079 0.01 A 11 CYS N N 15 121.430 0.2 A 12 ARG H H 1 8.026 0.01 A 12 ARG HA H 1 4.206 0.01 A 12 ARG HB2 H 1 1.834 0.01 A 12 ARG HB3 H 1 1.834 0.01 A 12 ARG HD2 H 1 3.273 0.01 A 12 ARG HD3 H 1 3.235 0.01 A 12 ARG HE H 1 7.292 0.01 A 12 ARG HG2 H 1 1.725 0.01 A 12 ARG HG3 H 1 1.671 0.01 A 12 ARG CA C 13 56.070 0.2 A 12 ARG CB C 13 27.236 0.2 A 12 ARG CD C 13 40.469 0.2 A 12 ARG CG C 13 24.238 0.2 A 12 ARG N N 15 120.427 0.2 A 13 LEU H H 1 7.884 0.01 A 13 LEU HA H 1 4.129 0.01 A 13 LEU HB2 H 1 1.750 0.01 A 13 LEU HB3 H 1 1.652 0.01 A 13 LEU HD1% H 1 0.882 0.01 A 13 LEU HD2% H 1 0.882 0.01 A 13 LEU HG H 1 1.654 0.01 A 13 LEU CA C 13 54.628 0.2 A 13 LEU CB C 13 39.304 0.2 A 13 LEU N N 15 120.239 0.2 A 14 ARG H H 1 7.239 0.01 A 14 ARG HA H 1 4.337 0.01 A 14 ARG HB2 H 1 2.044 0.01 A 14 ARG HB3 H 1 1.595 0.01 A 14 ARG HD2 H 1 3.099 0.01 A 14 ARG HD3 H 1 3.099 0.01 A 14 ARG HE H 1 6.993 0.01 A 14 ARG HG2 H 1 1.741 0.01 A 14 ARG HG3 H 1 1.741 0.01 A 14 ARG CA C 13 52.679 0.2 A 14 ARG CD C 13 41.049 0.2 A 14 ARG N N 15 117.284 0.2 A 15 ASN H H 1 8.007 0.01 A 15 ASN HA H 1 4.410 0.01 A 15 ASN HB2 H 1 3.147 0.01 A 15 ASN HB3 H 1 2.912 0.01 A 15 ASN HD21 H 1 7.530 0.01 A 15 ASN HD22 H 1 6.882 0.01 A 15 ASN CA C 13 51.678 0.2 A 15 ASN CB C 13 34.191 0.2 A 15 ASN N N 15 112.907 0.2 A 16 GLY H H 1 8.005 0.01 A 16 GLY HA2 H 1 4.511 0.01 A 16 GLY HA3 H 1 3.239 0.01 A 16 GLY N N 15 105.090 0.2 A 17 ILE H H 1 8.677 0.01 A 17 ILE HA H 1 4.088 0.01 A 17 ILE HB H 1 1.484 0.01 A 17 ILE HD1% H 1 0.811 0.01 A 17 ILE HG12 H 1 1.045 0.01 A 17 ILE HG13 H 1 1.045 0.01 A 17 ILE HG2% H 1 0.326 0.01 A 17 ILE CA C 13 56.875 0.2 A 17 ILE CB C 13 38.674 0.2 A 17 ILE CD1 C 13 10.183 0.2 A 17 ILE CG1 C 13 24.598 0.2 A 17 ILE CG2 C 13 15.058 0.2 A 17 ILE N N 15 119.314 0.2 A 18 CYS H H 1 8.571 0.01 A 18 CYS HA H 1 5.220 0.01 A 18 CYS HB2 H 1 2.831 0.01 A 18 CYS HB3 H 1 2.831 0.01 A 18 CYS CA C 13 51.783 0.2 A 18 CYS CB C 13 37.977 0.2 A 18 CYS N N 15 125.455 0.2 A 19 PHE H H 1 9.815 0.01 A 19 PHE HA H 1 4.821 0.01 A 19 PHE HB2 H 1 3.071 0.01 A 19 PHE HB3 H 1 2.817 0.01 A 19 PHE HD1 H 1 7.151 0.01 A 19 PHE HD2 H 1 7.151 0.01 A 19 PHE HE1 H 1 6.808 0.01 A 19 PHE HE2 H 1 6.808 0.01 A 19 PHE HZ H 1 6.480 0.01 A 19 PHE CA C 13 52.612 0.2 A 19 PHE CB C 13 40.386 0.2 A 19 PHE CD1 C 13 129.433 0.2 A 19 PHE CD2 C 13 129.433 0.2 A 19 PHE CE1 C 13 128.080 0.2 A 19 PHE CE2 C 13 128.080 0.2 A 19 PHE CZ C 13 126.756 0.2 A 19 PHE N N 15 131.725 0.2 A 20 PRO HA H 1 4.677 0.01 A 20 PRO HB2 H 1 2.169 0.01 A 20 PRO HB3 H 1 2.169 0.01 A 20 PRO HD2 H 1 3.775 0.01 A 20 PRO HD3 H 1 3.709 0.01 A 20 PRO HG2 H 1 2.064 0.01 A 20 PRO HG3 H 1 2.064 0.01 A 20 PRO CA C 13 60.406 0.2 A 20 PRO CB C 13 28.232 0.2 A 20 PRO CD C 13 47.673 0.2 A 20 PRO CG C 13 24.434 0.2 A 21 GLY H H 1 8.001 0.01 A 21 GLY HA2 H 1 4.206 0.01 A 21 GLY HA3 H 1 3.892 0.01 A 21 GLY CA C 13 42.288 0.2 A 21 GLY N N 15 109.553 0.2 A 22 ILE H H 1 7.835 0.01 A 22 ILE HA H 1 4.419 0.01 A 22 ILE HB H 1 1.929 0.01 A 22 ILE HD1% H 1 0.840 0.01 A 22 ILE HG12 H 1 1.300 0.01 A 22 ILE HG13 H 1 1.161 0.01 A 22 ILE HG2% H 1 0.939 0.01 A 22 ILE CA C 13 57.663 0.2 A 22 ILE CB C 13 37.337 0.2 A 22 ILE CD1 C 13 10.268 0.2 A 22 ILE CG1 C 13 23.721 0.2 A 22 ILE CG2 C 13 14.870 0.2 A 22 ILE N N 15 118.232 0.2 A 23 CYS H H 1 8.653 0.01 A 23 CYS HA H 1 4.230 0.01 A 23 CYS HB2 H 1 2.750 0.01 A 23 CYS HB3 H 1 2.476 0.01 A 23 CYS CA C 13 50.918 0.2 A 23 CYS CB C 13 36.430 0.2 A 23 CYS N N 15 119.505 0.2 A 24 ARG H H 1 7.981 0.01 A 24 ARG HA H 1 4.574 0.01 A 24 ARG HB2 H 1 1.815 0.01 A 24 ARG HB3 H 1 1.815 0.01 A 24 ARG HD2 H 1 3.184 0.01 A 24 ARG HD3 H 1 3.184 0.01 A 24 ARG HE H 1 7.210 0.01 A 24 ARG HG2 H 1 1.612 0.01 A 24 ARG HG3 H 1 1.609 0.01 A 24 ARG CA C 13 51.319 0.2 A 24 ARG CB C 13 29.307 0.2 A 24 ARG CD C 13 40.541 0.2 A 24 ARG CG C 13 24.411 0.2 A 24 ARG N N 15 123.459 0.2 A 25 ARG HA H 1 4.294 0.01 A 25 ARG HB2 H 1 1.742 0.01 A 25 ARG HB3 H 1 1.742 0.01 A 25 ARG HD2 H 1 3.089 0.01 A 25 ARG HD3 H 1 3.089 0.01 A 25 ARG HE H 1 7.131 0.01 A 25 ARG HG2 H 1 1.566 0.01 A 25 ARG HG3 H 1 1.561 0.01 A 25 ARG CA C 13 53.161 0.2 A 25 ARG CB C 13 26.641 0.2 A 26 PRO HA H 1 4.447 0.01 A 26 PRO HB2 H 1 2.282 0.01 A 26 PRO HB3 H 1 1.861 0.01 A 26 PRO HD2 H 1 3.514 0.01 A 26 PRO HD3 H 1 3.514 0.01 A 26 PRO HG2 H 1 2.105 0.01 A 26 PRO HG3 H 1 1.072 0.01 A 26 PRO CA C 13 61.318 0.2 A 26 PRO CB C 13 29.346 0.2 A 26 PRO CD C 13 47.561 0.2 A 26 PRO CG C 13 24.390 0.2 A 27 TYR H H 1 9.334 0.01 A 27 TYR HA H 1 5.048 0.01 A 27 TYR HB2 H 1 3.036 0.01 A 27 TYR HB3 H 1 2.680 0.01 A 27 TYR HD1 H 1 6.936 0.01 A 27 TYR HD2 H 1 6.936 0.01 A 27 TYR HE1 H 1 6.872 0.01 A 27 TYR HE2 H 1 6.872 0.01 A 27 TYR CA C 13 55.703 0.2 A 27 TYR CD1 C 13 130.296 0.2 A 27 TYR CD2 C 13 130.296 0.2 A 27 TYR CE1 C 13 115.857 0.2 A 27 TYR CE2 C 13 115.857 0.2 A 27 TYR N N 15 127.346 0.2 A 28 TYR H H 1 9.092 0.01 A 28 TYR HA H 1 4.891 0.01 A 28 TYR HB2 H 1 3.076 0.01 A 28 TYR HB3 H 1 2.968 0.01 A 28 TYR HD1 H 1 6.994 0.01 A 28 TYR HD2 H 1 6.994 0.01 A 28 TYR HE1 H 1 6.585 0.01 A 28 TYR HE2 H 1 6.585 0.01 A 28 TYR CA C 13 53.173 0.2 A 28 TYR CD1 C 13 131.434 0.2 A 28 TYR CD2 C 13 131.434 0.2 A 28 TYR CE1 C 13 115.047 0.2 A 28 TYR CE2 C 13 115.047 0.2 A 28 TYR N N 15 116.456 0.2 A 29 TRP H H 1 8.867 0.01 A 29 TRP HA H 1 4.710 0.01 A 29 TRP HB2 H 1 3.373 0.01 A 29 TRP HB3 H 1 3.307 0.01 A 29 TRP HD1 H 1 7.429 0.01 A 29 TRP HE1 H 1 10.209 0.01 A 29 TRP HE3 H 1 7.463 0.01 A 29 TRP HH2 H 1 7.189 0.01 A 29 TRP HZ2 H 1 7.357 0.01 A 29 TRP HZ3 H 1 7.083 0.01 A 29 TRP CA C 13 57.954 0.2 A 29 TRP CB C 13 28.171 0.2 A 29 TRP CD1 C 13 125.639 0.2 A 29 TRP CE3 C 13 118.393 0.2 A 29 TRP CH2 C 13 121.867 0.2 A 29 TRP CZ2 C 13 111.671 0.2 A 29 TRP CZ3 C 13 119.239 0.2 A 29 TRP N N 15 124.312 0.2 A 29 TRP NE1 N 15 131.779 0.2 A 30 ILE H H 1 8.621 0.01 A 30 ILE HA H 1 4.561 0.01 A 30 ILE HB H 1 1.940 0.01 A 30 ILE HD1% H 1 0.617 0.01 A 30 ILE HG12 H 1 0.514 0.01 A 30 ILE HG13 H 1 0.514 0.01 A 30 ILE HG2% H 1 0.827 0.01 A 30 ILE CA C 13 58.257 0.2 A 30 ILE CB C 13 37.670 0.2 A 30 ILE CD1 C 13 12.179 0.2 A 30 ILE CG1 C 13 23.520 0.2 A 30 ILE CG2 C 13 16.108 0.2 A 30 ILE N N 15 118.022 0.2 A 31 GLY H H 1 5.910 0.01 A 31 GLY HA2 H 1 3.718 0.01 A 31 GLY HA3 H 1 2.980 0.01 A 32 THR H H 1 8.265 0.01 A 32 THR HA H 1 4.956 0.01 A 32 THR HB H 1 4.317 0.01 A 32 THR HG2% H 1 1.535 0.01 A 32 THR CA C 13 57.678 0.2 A 32 THR CB C 13 68.746 0.2 A 32 THR CG2 C 13 18.914 0.2 A 32 THR N N 15 110.239 0.2 A 33 CYS H H 1 7.829 0.01 A 33 CYS HA H 1 4.852 0.01 A 33 CYS HB2 H 1 3.500 0.01 A 33 CYS HB3 H 1 3.264 0.01 A 33 CYS CA C 13 54.044 0.2 A 33 CYS N N 15 114.880 0.2 A 34 ASN H H 1 9.223 0.01 A 34 ASN HA H 1 4.390 0.01 A 34 ASN HB2 H 1 3.040 0.01 A 34 ASN HB3 H 1 2.582 0.01 A 34 ASN HD21 H 1 7.504 0.01 A 34 ASN HD22 H 1 6.879 0.01 A 34 ASN CA C 13 51.260 0.2 A 34 ASN CB C 13 34.391 0.2 A 34 ASN N N 15 119.258 0.2 A 34 ASN ND2 N 15 112.686 0.2 A 35 ASN H H 1 8.950 0.01 A 35 ASN HA H 1 4.328 0.01 A 35 ASN HB2 H 1 3.053 0.01 A 35 ASN HB3 H 1 2.827 0.01 A 35 ASN HD21 H 1 7.557 0.01 A 35 ASN HD22 H 1 6.879 0.01 A 35 ASN CA C 13 51.620 0.2 A 35 ASN CB C 13 34.709 0.2 A 35 ASN N N 15 115.216 0.2 A 35 ASN ND2 N 15 113.198 0.2 A 36 GLY H H 1 7.800 0.01 A 36 GLY HA2 H 1 4.381 0.01 A 36 GLY HA3 H 1 3.613 0.01 A 36 GLY N N 15 104.391 0.2 A 37 ILE H H 1 7.509 0.01 A 37 ILE HA H 1 4.391 0.01 A 37 ILE HB H 1 2.128 0.01 A 37 ILE HD1% H 1 0.889 0.01 A 37 ILE HG12 H 1 1.491 0.01 A 37 ILE HG13 H 1 1.366 0.01 A 37 ILE HG2% H 1 0.979 0.01 A 37 ILE CA C 13 59.028 0.2 A 37 ILE CB C 13 36.201 0.2 A 37 ILE CD1 C 13 10.247 0.2 A 37 ILE CG1 C 13 24.257 0.2 A 37 ILE CG2 C 13 14.933 0.2 A 37 ILE N N 15 117.474 0.2 A 38 GLY H H 1 8.245 0.01 A 38 GLY HA2 H 1 4.620 0.01 A 38 GLY HA3 H 1 3.709 0.01 A 38 GLY N N 15 109.137 0.2 A 39 SER H H 1 8.966 0.01 A 39 SER HA H 1 4.837 0.01 A 39 SER HB2 H 1 4.009 0.01 A 39 SER HB3 H 1 3.937 0.01 A 39 SER HG H 1 5.761 0.01 A 39 SER CB C 13 63.056 0.2 A 39 SER N N 15 117.008 0.2 A 40 CYS H H 1 8.801 0.01 A 40 CYS HA H 1 4.804 0.01 A 40 CYS HB2 H 1 2.214 0.01 A 40 CYS HB3 H 1 2.093 0.01 A 40 CYS N N 15 125.428 0.2 A 41 CYS H H 1 9.246 0.01 A 41 CYS HA H 1 5.535 0.01 A 41 CYS HB2 H 1 2.990 0.01 A 41 CYS HB3 H 1 2.686 0.01 A 41 CYS CA C 13 49.756 0.2 A 41 CYS N N 15 127.164 0.2 A 42 ALA H H 1 9.042 0.01 A 42 ALA HA H 1 4.927 0.01 A 42 ALA HB% H 1 1.070 0.01 A 42 ALA CA C 13 47.606 0.2 A 42 ALA CB C 13 19.585 0.2 A 42 ALA N N 15 125.603 0.2 A 43 ARG H H 1 8.710 0.01 A 43 ARG HA H 1 4.155 0.01 A 43 ARG HB2 H 1 1.517 0.01 A 43 ARG HB3 H 1 1.442 0.01 A 43 ARG HD2 H 1 2.820 0.01 A 43 ARG HD3 H 1 2.757 0.01 A 43 ARG HE H 1 7.006 0.01 A 43 ARG HG2 H 1 1.277 0.01 A 43 ARG HG3 H 1 1.069 0.01 A 43 ARG CD C 13 40.230 0.2 A 43 ARG CG C 13 24.517 0.2 A 43 ARG N N 15 119.494 0.2 A 44 GLY H H 1 8.465 0.01 A 44 GLY HA2 H 1 4.224 0.01 A 44 GLY HA3 H 1 3.888 0.01 A 44 GLY CA C 13 42.225 0.2 A 44 GLY N N 15 112.215 0.2 A 45 TRP H H 1 8.145 0.01 A 45 TRP HA H 1 4.584 0.01 A 45 TRP HB2 H 1 3.255 0.01 A 45 TRP HB3 H 1 3.184 0.01 A 45 TRP HD1 H 1 7.225 0.01 A 45 TRP HE1 H 1 10.095 0.01 A 45 TRP HE3 H 1 7.565 0.01 A 45 TRP HH2 H 1 7.191 0.01 A 45 TRP HZ2 H 1 7.466 0.01 A 45 TRP HZ3 H 1 7.069 0.01 A 45 TRP CA C 13 54.786 0.2 A 45 TRP CB C 13 27.140 0.2 A 45 TRP CD1 C 13 124.518 0.2 A 45 TRP CE3 C 13 118.143 0.2 A 45 TRP CH2 C 13 121.867 0.2 A 45 TRP CZ2 C 13 111.843 0.2 A 45 TRP CZ3 C 13 119.239 0.2 A 45 TRP N N 15 120.831 0.2 A 45 TRP NE1 N 15 129.415 0.2 A 46 ARG H H 1 7.973 0.01 A 46 ARG HA H 1 4.238 0.01 A 46 ARG HB2 H 1 1.734 0.01 A 46 ARG HB3 H 1 1.546 0.01 A 46 ARG HD2 H 1 3.033 0.01 A 46 ARG HD3 H 1 3.033 0.01 A 46 ARG HE H 1 7.064 0.01 A 46 ARG HG2 H 1 1.366 0.01 A 46 ARG HG3 H 1 1.366 0.01 A 46 ARG CB C 13 28.275 0.2 A 46 ARG CD C 13 40.493 0.2 A 46 ARG CG C 13 24.034 0.2 A 46 ARG N N 15 122.395 0.2 A 47 SER H H 1 7.857 0.01 A 47 SER HA H 1 4.154 0.01 A 47 SER HB2 H 1 3.814 0.01 A 47 SER HB3 H 1 3.814 0.01 A 47 SER CA C 13 57.254 0.2 A 47 SER CB C 13 61.971 0.2 A 47 SER N N 15 122.525 0.2 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 19 PHE H A 18 CYS HA 1.0 1.515 2.547 2 2 A 27 TYR H A 27 TYR HA 1.0 1.828 3.826 3 3 A 27 TYR HA A 28 TYR H 1.0 1.599 2.821 4 4 A 27 TYR HA A 27 TYR HD1 1.0 1.743 3.387 5 4 A 27 TYR HA A 27 TYR HD2 1.0 1.743 3.387 6 5 A 27 TYR HA A 44 GLY H 1.0 1.897 4.289 7 6 A 32 THR H A 32 THR HA 1.0 1.823 3.797 8 7 A 32 THR HA A 33 CYS H 1.0 1.586 2.776 9 8 A 32 THR HA A 29 TRP HE1 1.0 1.901 4.319 10 9 A 32 THR HA A 40 CYS H 1.0 1.725 3.311 11 10 A 42 ALA H A 42 ALA HA 1.0 1.817 3.765 12 11 A 42 ALA HA A 43 ARG H 1.0 1.581 2.755 13 12 A 27 TYR HD1 A 42 ALA HA 1.0 1.836 3.878 14 12 A 27 TYR HD2 A 42 ALA HA 1.0 1.836 3.878 15 13 A 28 TYR H A 28 TYR HA 1.0 1.846 3.936 16 14 A 28 TYR HA A 28 TYR HD2 1.0 1.810 3.722 17 14 A 28 TYR HA A 28 TYR HD1 1.0 1.810 3.722 18 15 A 28 TYR HA A 29 TRP H 1.0 1.550 2.654 19 16 A 29 TRP HE1 A 39 SER HA 1.0 1.838 3.884 20 17 A 40 CYS H A 39 SER HA 1.0 1.539 2.621 21 18 A 39 SER HA A 29 TRP HD1 1.0 1.798 3.662 22 19 A 39 SER HA A 39 SER H 1.0 1.839 3.889 23 20 A 19 PHE HA A 19 PHE HD1 1.0 1.752 3.432 24 20 A 19 PHE HD2 A 19 PHE HA 1.0 1.752 3.432 25 21 A 19 PHE H A 19 PHE HA 1.0 1.735 3.355 26 22 A 41 CYS H A 40 CYS HA 1.0 1.602 2.830 27 23 A 29 TRP HD1 A 29 TRP HA 1.0 1.824 3.798 28 24 A 29 TRP H A 29 TRP HA 1.0 1.747 3.409 29 25 A 29 TRP HA A 30 ILE H 1.0 1.584 2.768 30 26 A 21 GLY H A 20 PRO HA 1.0 1.779 3.557 31 27 A 38 GLY H A 38 GLY HA2 1.0 1.733 3.345 32 28 A 6 ARG H A 6 ARG HA 1.0 1.872 4.100 33 29 A 3 PHE H A 3 PHE HA 1.0 1.910 4.392 34 30 A 45 TRP H A 45 TRP HA 1.0 1.818 3.766 35 31 A 3 PHE HA A 4 ILE H 1.0 1.628 2.922 36 32 A 45 TRP HA A 45 TRP HE3 1.0 1.903 4.331 37 33 A 45 TRP HA A 46 ARG H 1.0 1.682 3.128 38 34 A 30 ILE H A 30 ILE HA 1.0 1.863 4.041 39 35 A 27 TYR H A 26 PRO HA 1.0 1.841 3.901 40 36 A 23 CYS H A 22 ILE HA 1.0 1.528 2.586 41 37 A 8 ILE H A 7 PRO HA 1.0 1.511 2.535 42 38 A 22 ILE HA A 22 ILE H 1.0 1.792 3.626 43 39 A 37 ILE H A 37 ILE HA 1.0 1.704 3.220 44 40 A 34 ASN H A 34 ASN HA 1.0 1.841 3.903 45 41 A 4 ILE H A 4 ILE HA 1.0 1.854 3.980 46 42 A 11 CYS H A 11 CYS HA 1.0 1.784 3.586 47 43 A 14 ARG H A 14 ARG HA 1.0 1.774 3.538 48 44 A 35 ASN H A 35 ASN HA 1.0 1.670 3.080 49 45 A 32 THR H A 32 THR HB 1.0 1.890 4.234 50 46 A 33 CYS H A 32 THR HB 1.0 1.604 2.836 51 47 A 27 TYR H A 25 ARG HA 1.0 1.602 2.830 52 48 A 6 ARG H A 5 PRO HA 1.0 1.583 2.765 53 49 A 24 ARG H A 23 CYS HA 1.0 1.510 2.530 54 50 A 47 SER H A 46 ARG HA 1.0 1.675 3.103 55 51 A 45 TRP H A 44 GLY HA2 1.0 1.764 3.488 56 52 A 21 GLY H A 21 GLY HA3 1.0 1.646 2.990 57 53 A 28 TYR H A 43 ARG HA 1.0 1.929 4.559 58 54 A 44 GLY H A 43 ARG HA 1.0 1.629 2.925 59 55 A 27 TYR HD1 A 43 ARG HA 1.0 1.855 3.993 60 55 A 27 TYR HD2 A 43 ARG HA 1.0 1.855 3.993 61 56 A 43 ARG H A 43 ARG HA 1.0 1.813 3.737 62 57 A 43 ARG HA A 27 TYR HE1 1.0 1.913 4.421 63 57 A 43 ARG HA A 27 TYR HE2 1.0 1.913 4.421 64 58 A 14 ARG H A 13 LEU HA 1.0 1.909 4.383 65 59 A 13 LEU HA A 13 LEU H 1.0 1.761 3.471 66 60 A 17 ILE H A 17 ILE HA 1.0 1.884 4.186 67 61 A 17 ILE HA A 18 CYS H 1.0 1.520 2.560 68 62 A 9 ASP H A 8 ILE HA 1.0 1.560 2.690 69 63 A 8 ILE H A 8 ILE HA 1.0 1.802 3.680 70 64 A 29 TRP HE1 A 39 SER HB3 1.0 1.916 4.444 71 65 A 40 CYS H A 39 SER HB3 1.0 1.849 3.955 72 66 A 29 TRP HD1 A 39 SER HB3 1.0 1.614 2.874 73 67 A 11 CYS H A 10 THR HA 1.0 1.891 4.247 74 68 A 10 THR HA A 10 THR H 1.0 1.808 3.716 75 69 A 39 SER H A 39 SER HB2 1.0 1.744 3.396 76 70 A 29 TRP HD1 A 39 SER HB2 1.0 1.833 3.859 77 71 A 44 GLY H A 44 GLY HA3 1.0 1.724 3.302 78 72 A 45 TRP H A 44 GLY HA3 1.0 1.791 3.619 79 73 A 21 GLY H A 21 GLY HA2 1.0 1.743 3.385 80 74 A 28 TYR HD2 A 44 GLY HA3 1.0 1.853 3.979 81 74 A 28 TYR HD1 A 44 GLY HA3 1.0 1.853 3.979 82 75 A 44 GLY HA3 A 28 TYR HE1 1.0 1.807 3.709 83 75 A 44 GLY HA3 A 28 TYR HE2 1.0 1.807 3.709 84 76 A 22 ILE H A 21 GLY HA2 1.0 1.563 2.699 85 77 A 19 PHE HD1 A 20 PRO HD3 1.0 1.802 3.680 86 77 A 19 PHE HD2 A 20 PRO HD3 1.0 1.802 3.680 87 78 A 32 THR H A 31 GLY HA2 1.0 1.613 2.869 88 79 A 39 SER H A 38 GLY HA3 1.0 1.671 3.081 89 80 A 36 GLY H A 36 GLY HA3 1.0 1.602 2.826 90 81 A 37 ILE H A 36 GLY HA3 1.0 1.891 4.245 91 82 A 33 CYS H A 33 CYS HB3 1.0 1.908 4.376 92 83 A 29 TRP H A 29 TRP HB2 1.0 1.622 2.898 93 84 A 29 TRP HB2 A 29 TRP HE3 1.0 1.699 3.195 94 85 A 29 TRP H A 29 TRP HB3 1.0 1.625 2.909 95 86 A 29 TRP HE3 A 29 TRP HB3 1.0 1.854 3.988 96 87 A 29 TRP HD1 A 29 TRP HB3 1.0 1.633 2.939 97 88 A 33 CYS H A 33 CYS HB2 1.0 1.880 4.158 98 89 A 45 TRP H A 45 TRP HB3 1.0 1.862 4.034 99 90 A 17 ILE H A 16 GLY HA3 1.0 1.717 3.273 100 91 A 16 GLY HA3 A 16 GLY H 1.0 1.673 3.093 101 92 A 45 TRP H A 45 TRP HB2 1.0 1.830 3.838 102 93 A 45 TRP HE3 A 45 TRP HB2 1.0 1.848 3.946 103 94 A 46 ARG H A 45 TRP HB2 1.0 1.927 4.545 104 95 A 3 PHE H A 3 PHE HB3 1.0 1.860 4.020 105 96 A 3 PHE HB3 A 3 PHE HD2 1.0 1.847 3.939 106 96 A 3 PHE HB3 A 3 PHE HD1 1.0 1.847 3.939 107 97 A 29 TRP H A 28 TYR HB3 1.0 1.708 3.236 108 98 A 28 TYR HD2 A 28 TYR HB3 1.0 1.574 2.732 109 98 A 28 TYR HD1 A 28 TYR HB3 1.0 1.574 2.732 110 99 A 19 PHE H A 19 PHE HB2 1.0 1.772 3.524 111 100 A 19 PHE HD1 A 19 PHE HB2 1.0 1.672 3.090 112 100 A 19 PHE HD2 A 19 PHE HB2 1.0 1.672 3.090 113 101 A 35 ASN HD21 A 35 ASN HB3 1.0 1.895 4.279 114 102 A 24 ARG H A 27 TYR HB3 1.0 1.854 3.980 115 103 A 27 TYR H A 27 TYR HB3 1.0 1.673 3.089 116 104 A 34 ASN HD21 A 34 ASN HB2 1.0 1.717 3.273 117 105 A 27 TYR HD1 A 27 TYR HB3 1.0 1.644 2.980 118 105 A 27 TYR HD2 A 27 TYR HB3 1.0 1.644 2.980 119 106 A 41 CYS H A 41 CYS HB2 1.0 1.904 4.346 120 107 A 3 PHE H A 3 PHE HB2 1.0 1.834 3.856 121 108 A 3 PHE HD2 A 3 PHE HB2 1.0 1.794 3.636 122 108 A 3 PHE HD1 A 3 PHE HB2 1.0 1.794 3.636 123 109 A 42 ALA H A 41 CYS HB2 1.0 1.845 3.929 124 110 A 29 TRP HZ3 A 31 GLY HA3 1.0 1.917 4.451 125 111 A 31 GLY HA3 A 29 TRP HZ2 1.0 1.802 3.684 126 112 A 31 GLY HA3 A 29 TRP HH2 1.0 1.819 3.773 127 113 A 28 TYR HE1 A 28 TYR HB2 1.0 1.916 4.444 128 113 A 28 TYR HE2 A 28 TYR HB2 1.0 1.916 4.444 129 114 A 15 ASN HD21 A 15 ASN HB2 1.0 1.815 3.751 130 115 A 15 ASN HB2 A 15 ASN H 1.0 1.842 3.910 131 116 A 9 ASP H A 9 ASP HB2 1.0 1.731 3.335 132 117 A 35 ASN H A 35 ASN HB2 1.0 1.898 4.296 133 118 A 35 ASN HD21 A 35 ASN HB2 1.0 1.773 3.531 134 119 A 19 PHE H A 19 PHE HB3 1.0 1.610 2.858 135 120 A 19 PHE HD1 A 19 PHE HB3 1.0 1.727 3.317 136 120 A 19 PHE HD2 A 19 PHE HB3 1.0 1.727 3.317 137 121 A 29 TRP H A 23 CYS HB3 1.0 1.881 4.169 138 122 A 23 CYS H A 23 CYS HB3 1.0 1.690 3.164 139 123 A 41 CYS H A 41 CYS HB3 1.0 1.784 3.588 140 124 A 19 PHE HD1 A 41 CYS HB3 1.0 1.735 3.355 141 124 A 19 PHE HD2 A 41 CYS HB3 1.0 1.735 3.355 142 125 A 41 CYS HB3 A 19 PHE HE2 1.0 1.786 3.596 143 125 A 41 CYS HB3 A 19 PHE HE1 1.0 1.786 3.596 144 126 A 42 ALA H A 41 CYS HB3 1.0 1.873 4.111 145 127 A 27 TYR HD1 A 27 TYR HB2 1.0 1.629 2.925 146 127 A 27 TYR HD2 A 27 TYR HB2 1.0 1.629 2.925 147 128 A 28 TYR H A 27 TYR HB2 1.0 1.762 3.478 148 129 A 10 THR H A 9 ASP HB3 1.0 1.912 4.408 149 130 A 38 GLY H A 34 ASN HB3 1.0 1.929 4.563 150 131 A 34 ASN HD21 A 34 ASN HB3 1.0 1.846 3.934 151 132 A 34 ASN HB3 A 34 ASN HD22 1.0 1.920 4.480 152 133 A 23 CYS H A 23 CYS HB2 1.0 1.861 4.027 153 134 A 24 ARG H A 23 CYS HB2 1.0 1.870 4.088 154 135 A 8 ILE H A 7 PRO HB3 1.0 1.918 4.468 155 136 A 40 CYS H A 40 CYS HB3 1.0 1.709 3.239 156 137 A 40 CYS H A 40 CYS HB2 1.0 1.731 3.333 157 138 A 14 ARG H A 14 ARG HB2 1.0 1.855 3.987 158 139 A 23 CYS H A 22 ILE HB 1.0 1.660 3.040 159 140 A 8 ILE H A 8 ILE HB 1.0 1.709 3.241 160 141 A 13 LEU H A 13 LEU HB3 1.0 1.667 3.071 161 142 A 10 THR H A 12 ARG HG2 1.0 1.840 3.898 162 143 A 4 ILE H A 4 ILE HB 1.0 1.813 3.743 163 144 A 47 SER H A 46 ARG HB3 1.0 1.806 3.704 164 145 A 12 ARG HG2 A 12 ARG H 1.0 1.854 3.986 165 146 A 12 ARG H A 12 ARG HG3 1.0 1.911 4.395 166 147 A 14 ARG H A 14 ARG HB3 1.0 1.638 2.960 167 148 A 29 TRP HE1 A 32 THR HG2% 1.0 1.734 3.352 168 149 A 33 CYS H A 32 THR HG2% 1.0 1.819 3.775 169 150 A 29 TRP HZ2 A 32 THR HG2% 1.0 1.557 2.677 170 151 A 43 ARG H A 43 ARG HB3 1.0 1.764 3.490 171 152 A 8 ILE H A 8 ILE HG12 1.0 1.805 3.693 172 153 A 18 CYS H A 17 ILE HB 1.0 1.911 4.401 173 154 A 37 ILE H A 37 ILE HG13 1.0 1.764 3.488 174 155 A 19 PHE HD1 A 17 ILE HB 1.0 1.875 4.125 175 155 A 19 PHE HD2 A 17 ILE HB 1.0 1.875 4.125 176 156 A 19 PHE HE2 A 17 ILE HB 1.0 1.660 3.044 177 156 A 19 PHE HE1 A 17 ILE HB 1.0 1.660 3.044 178 157 A 17 ILE H A 17 ILE HB 1.0 1.746 3.402 179 158 A 27 TYR HD1 A 43 ARG HB2 1.0 1.851 3.963 180 158 A 27 TYR HD2 A 43 ARG HB2 1.0 1.851 3.963 181 159 A 27 TYR HE1 A 43 ARG HB2 1.0 1.745 3.399 182 159 A 27 TYR HE2 A 43 ARG HB2 1.0 1.745 3.399 183 160 A 43 ARG H A 43 ARG HB2 1.0 1.749 3.419 184 161 A 37 ILE H A 37 ILE HG12 1.0 1.678 3.114 185 162 A 23 CYS H A 22 ILE HG13 1.0 1.913 4.423 186 163 A 22 ILE H A 22 ILE HG13 1.0 1.754 3.440 187 164 A 27 TYR HE1 A 43 ARG HG2 1.0 1.909 4.379 188 164 A 27 TYR HE2 A 43 ARG HG2 1.0 1.909 4.379 189 165 A 10 THR H A 10 THR HG2% 1.0 1.760 3.466 190 166 A 8 ILE H A 8 ILE HG13 1.0 1.834 3.860 191 167 A 22 ILE H A 22 ILE HG12 1.0 1.615 2.875 192 168 A 23 CYS H A 24 ARG H 1.0 1.915 4.433 193 169 A 19 PHE H A 39 SER H 1.0 1.861 4.029 194 170 A 41 CYS H A 17 ILE H 1.0 1.803 3.685 195 171 A 41 CYS H A 41 CYS HA 1.0 1.830 3.842 196 172 A 30 ILE H A 41 CYS HA 1.0 1.882 4.168 197 173 A 42 ALA H A 41 CYS HA 1.0 1.582 2.760 198 174 A 43 ARG H A 42 ALA HB% 1.0 1.655 3.023 199 175 A 28 TYR HD1 A 42 ALA HB% 1.0 1.880 4.162 200 175 A 28 TYR HD2 A 42 ALA HB% 1.0 1.880 4.162 201 176 A 28 TYR H A 42 ALA HB% 1.0 1.908 4.376 202 177 A 42 ALA H A 42 ALA HB% 1.0 1.667 3.067 203 178 A 27 TYR HE1 A 43 ARG HG3 1.0 1.778 3.560 204 178 A 27 TYR HE2 A 43 ARG HG3 1.0 1.778 3.560 205 179 A 28 TYR HE1 A 42 ALA HB% 1.0 1.720 3.286 206 179 A 28 TYR HE2 A 42 ALA HB% 1.0 1.720 3.286 207 180 A 38 GLY H A 37 ILE HG2% 1.0 1.909 4.385 208 181 A 37 ILE H A 37 ILE HG2% 1.0 1.772 3.528 209 182 A 23 CYS H A 22 ILE HG2% 1.0 1.774 3.536 210 183 A 22 ILE H A 22 ILE HG2% 1.0 1.730 3.330 211 184 A 13 LEU H A 13 LEU HD2% 1.0 1.809 3.717 212 185 A 34 ASN HD21 A 37 ILE HD1% 1.0 1.890 4.236 213 186 A 9 ASP H A 8 ILE HG2% 1.0 1.781 3.573 214 187 A 8 ILE H A 8 ILE HD1% 1.0 1.810 3.724 215 188 A 42 ALA H A 30 ILE HG2% 1.0 1.838 3.888 216 189 A 30 ILE H A 30 ILE HG2% 1.0 1.839 3.889 217 190 A 28 TYR HD2 A 30 ILE HG2% 1.0 1.669 3.079 218 190 A 28 TYR HD1 A 30 ILE HG2% 1.0 1.669 3.079 219 191 A 30 ILE HG2% A 31 GLY H 1.0 1.921 4.485 220 192 A 27 TYR HE1 A 17 ILE HD1% 1.0 1.726 3.314 221 192 A 27 TYR HE2 A 17 ILE HD1% 1.0 1.726 3.314 222 193 A 19 PHE HE2 A 17 ILE HD1% 1.0 1.875 4.123 223 193 A 19 PHE HE1 A 17 ILE HD1% 1.0 1.875 4.123 224 194 A 28 TYR HE1 A 30 ILE HG2% 1.0 1.585 2.769 225 194 A 28 TYR HE2 A 30 ILE HG2% 1.0 1.585 2.769 226 195 A 17 ILE HD1% A 19 PHE HZ 1.0 1.918 4.464 227 196 A 16 GLY H A 30 ILE HD1% 1.0 1.916 4.450 228 197 A 42 ALA H A 30 ILE HG13 1.0 1.891 4.247 229 198 A 30 ILE H A 30 ILE HG13 1.0 1.700 3.204 230 199 A 41 CYS HA A 30 ILE HG13 1.0 1.927 4.541 231 200 A 27 TYR HE2 A 17 ILE HG2% 1.0 1.903 4.333 232 200 A 27 TYR HE1 A 17 ILE HG2% 1.0 1.903 4.333 233 201 A 18 CYS H A 17 ILE HG2% 1.0 1.672 3.086 234 202 A 19 PHE HD1 A 17 ILE HG2% 1.0 1.810 3.724 235 202 A 19 PHE HD2 A 17 ILE HG2% 1.0 1.810 3.724 236 203 A 19 PHE HE1 A 17 ILE HG2% 1.0 1.769 3.513 237 203 A 19 PHE HE2 A 17 ILE HG2% 1.0 1.769 3.513 238 204 A 19 PHE HZ A 17 ILE HG2% 1.0 1.855 3.993 239 205 A 41 CYS HB2 A 41 CYS HA 1.0 1.797 3.653 240 206 A 31 GLY HA3 A 31 GLY H 1.0 1.699 3.197 241 207 A 41 CYS HB3 A 41 CYS HA 1.0 1.842 3.908 242 208 A 27 TYR HA A 27 TYR HB2 1.0 1.841 3.899 243 209 A 29 TRP HA A 41 CYS HA 1.0 1.846 3.934 244 210 A 30 ILE HA A 31 GLY H 1.0 1.849 3.955 245 211 A 22 ILE HA A 39 SER HG 1.0 1.904 4.348 246 212 A 39 SER HB2 A 39 SER HG 1.0 1.900 4.314 247 213 A 31 GLY HA2 A 31 GLY H 1.0 1.723 3.301 248 214 A 27 TYR HA A 43 ARG HA 1.0 1.819 3.769 249 215 A 18 CYS HA A 40 CYS HA 1.0 1.701 3.205 250 216 A 37 ILE HA A 37 ILE HB 1.0 1.683 3.135 251 217 A 14 ARG HA A 14 ARG HB2 1.0 1.687 3.149 252 218 A 5 PRO HD3 A 1 PCA HB2 1.0 1.729 3.325 253 219 A 1 PCA HB2 A 5 PRO HD2 1.0 1.752 3.430 254 220 A 30 ILE HA A 30 ILE HB 1.0 1.758 3.458 255 221 A 22 ILE HA A 22 ILE HB 1.0 1.570 2.722 256 222 A 5 PRO HA A 5 PRO HB3 1.0 1.916 4.438 257 223 A 7 PRO HA A 7 PRO HB2 1.0 1.803 3.687 258 224 A 7 PRO HB2 A 7 PRO HD3 1.0 1.793 3.633 259 225 A 7 PRO HB2 A 7 PRO HD2 1.0 1.898 4.300 260 226 A 2 PRO HA A 2 PRO HB3 1.0 1.730 3.328 261 227 A 8 ILE HA A 8 ILE HB 1.0 1.772 3.526 262 228 A 7 PRO HA A 8 ILE HB 1.0 1.922 4.492 263 229 A 13 LEU HA A 13 LEU HB3 1.0 1.736 3.358 264 230 A 4 ILE HA A 4 ILE HB 1.0 1.777 3.549 265 231 A 46 ARG HA A 46 ARG HB3 1.0 1.877 4.135 266 232 A 12 ARG HG3 A 12 ARG HD3 1.0 1.805 3.697 267 233 A 14 ARG HA A 14 ARG HB3 1.0 1.625 2.909 268 234 A 46 ARG HA A 46 ARG HB2 1.0 1.748 3.410 269 235 A 32 THR HB A 32 THR HG2% 1.0 1.596 2.808 270 236 A 37 ILE HA A 32 THR HG2% 1.0 1.863 4.039 271 237 A 43 ARG HA A 43 ARG HB3 1.0 1.822 3.792 272 238 A 17 ILE HA A 17 ILE HB 1.0 1.766 3.502 273 239 A 43 ARG HA A 43 ARG HB2 1.0 1.787 3.603 274 240 A 43 ARG HB2 A 43 ARG HD2 1.0 1.926 4.536 275 241 A 37 ILE HA A 37 ILE HG12 1.0 1.814 3.744 276 242 A 22 ILE HA A 22 ILE HG13 1.0 1.894 4.260 277 243 A 43 ARG HG2 A 43 ARG HD2 1.0 1.921 4.493 278 244 A 43 ARG HA A 43 ARG HG2 1.0 1.910 4.388 279 245 A 43 ARG HG2 A 43 ARG HD3 1.0 1.884 4.186 280 246 A 10 THR HG2% A 10 THR HB 1.0 1.562 2.694 281 247 A 10 THR HA A 10 THR HG2% 1.0 1.639 2.959 282 248 A 22 ILE HA A 22 ILE HG12 1.0 1.866 4.060 283 249 A 4 ILE HA A 4 ILE HG12 1.0 1.905 4.351 284 250 A 43 ARG HA A 43 ARG HG3 1.0 1.843 3.917 285 251 A 37 ILE HA A 37 ILE HG2% 1.0 1.647 2.993 286 252 A 22 ILE HA A 22 ILE HG2% 1.0 1.583 2.765 287 253 A 13 LEU HA A 13 LEU HD2% 1.0 1.583 2.765 288 254 A 37 ILE HA A 37 ILE HD1% 1.0 1.857 4.007 289 255 A 8 ILE HA A 8 ILE HG2% 1.0 1.706 3.226 290 256 A 4 ILE HA A 4 ILE HD1% 1.0 1.774 3.536 291 257 A 5 PRO HD3 A 4 ILE HD1% 1.0 1.903 4.335 292 258 A 30 ILE HA A 30 ILE HG2% 1.0 1.778 3.558 293 259 A 12 ARG HD3 A 12 ARG HA 1.0 1.880 4.166 294 260 A 16 GLY HA3 A 16 GLY HA2 1.0 1.676 3.104 295 261 A 15 ASN HA A 15 ASN HB3 1.0 1.624 2.910 296 262 A 35 ASN HA A 35 ASN HB3 1.0 1.638 2.956 297 263 A 23 CYS HA A 27 TYR HB3 1.0 1.898 4.294 298 264 A 15 ASN HB2 A 15 ASN HA 1.0 1.757 3.457 299 265 A 23 CYS HA A 23 CYS HB3 1.0 1.864 4.048 300 266 A 34 ASN HA A 34 ASN HB3 1.0 1.678 3.110 301 267 A 23 CYS HA A 23 CYS HB2 1.0 1.748 3.410 302 268 A 10 THR HA A 10 THR HB 1.0 1.658 3.036 303 269 A 44 GLY HA2 A 44 GLY HA3 1.0 1.389 2.189 304 270 A 37 ILE H A 36 GLY H 1.0 1.753 3.433 305 271 A 29 TRP HE3 A 29 TRP HZ3 1.0 1.533 2.603 306 272 A 45 TRP HE3 A 45 TRP HZ3 1.0 1.798 3.664 307 273 A 28 TYR HD2 A 45 TRP HE3 1.0 1.844 3.924 308 273 A 28 TYR HD1 A 45 TRP HE3 1.0 1.844 3.924 309 274 A 35 ASN HD21 A 35 ASN HD22 1.0 1.276 1.910 310 275 A 34 ASN HD21 A 34 ASN HD22 1.0 1.305 1.979 311 276 A 28 TYR HD2 A 28 TYR HE2 1.0 1.410 2.244 312 276 A 28 TYR HD2 A 28 TYR HE1 1.0 1.410 2.244 313 276 A 28 TYR HD1 A 28 TYR HE1 1.0 1.410 2.244 314 276 A 28 TYR HD1 A 28 TYR HE2 1.0 1.410 2.244 315 277 A 19 PHE HE2 A 19 PHE HZ 1.0 1.580 2.754 316 277 A 19 PHE HE1 A 19 PHE HZ 1.0 1.580 2.754 317 278 A 19 PHE HD1 A 19 PHE HE2 1.0 1.386 2.182 318 278 A 19 PHE HD1 A 19 PHE HE1 1.0 1.386 2.182 319 278 A 19 PHE HD2 A 19 PHE HE2 1.0 1.386 2.182 320 278 A 19 PHE HD2 A 19 PHE HE1 1.0 1.386 2.182 321 279 A 45 TRP HZ2 A 45 TRP HH2 1.0 1.684 3.136 322 280 A 19 PHE H A 41 CYS H 1.0 1.976 5.140 323 281 A 29 TRP HE1 A 40 CYS H 1.0 1.978 5.176 324 282 A 19 PHE H A 18 CYS H 1.0 1.973 5.097 325 283 A 15 ASN HD21 A 15 ASN HB3 1.0 1.937 4.651 326 284 A 29 TRP HE1 A 31 GLY H 1.0 1.996 5.638 327 285 A 29 TRP HE1 A 31 GLY HA2 1.0 2.000 6.086 328 286 A 29 TRP HE1 A 29 TRP HB3 1.0 1.981 5.227 329 287 A 29 TRP HE1 A 31 GLY HA3 1.0 1.966 4.992 330 288 A 19 PHE H A 39 SER HB2 1.0 1.959 4.887 331 289 A 34 ASN H A 33 CYS HB3 1.0 1.933 4.607 332 290 A 41 CYS H A 40 CYS HB3 1.0 1.993 5.515 333 291 A 27 TYR H A 26 PRO HB3 1.0 2.000 6.056 334 292 A 27 TYR H A 26 PRO HG3 1.0 2.000 5.868 335 293 A 34 ASN H A 34 ASN HB3 1.0 1.967 5.007 336 294 A 27 TYR H A 23 CYS HB2 1.0 1.997 6.333 337 295 A 41 CYS H A 23 CYS HB2 1.0 2.000 6.078 338 296 A 28 TYR H A 23 CYS HB2 1.0 1.994 5.578 339 297 A 29 TRP H A 23 CYS HB2 1.0 1.941 4.677 340 298 A 41 CYS H A 19 PHE HB3 1.0 2.000 5.862 341 299 A 44 GLY H A 26 PRO HB3 1.0 1.995 5.577 342 300 A 6 ARG H A 5 PRO HB2 1.0 1.952 4.814 343 301 A 3 PHE H A 2 PRO HB2 1.0 1.999 6.175 344 302 A 30 ILE H A 40 CYS HB3 1.0 1.966 4.994 345 303 A 32 THR H A 40 CYS HB3 1.0 1.995 5.591 346 304 A 30 ILE H A 40 CYS HB2 1.0 1.999 5.921 347 305 A 11 CYS H A 40 CYS HB2 1.0 1.997 6.313 348 306 A 30 ILE H A 30 ILE HB 1.0 1.943 4.703 349 307 A 16 GLY H A 42 ALA HB% 1.0 1.977 5.159 350 308 A 4 ILE H A 4 ILE HG12 1.0 1.953 4.819 351 309 A 21 GLY H A 37 ILE HD1% 1.0 1.990 5.444 352 310 A 47 SER H A 8 ILE HD1% 1.0 1.944 4.708 353 311 A 12 ARG H A 13 LEU HD2% 1.0 1.990 5.444 354 312 A 4 ILE H A 4 ILE HG2% 1.0 1.978 5.188 355 313 A 28 TYR H A 30 ILE HG2% 1.0 1.996 5.634 356 314 A 42 ALA H A 30 ILE HD1% 1.0 1.978 5.178 357 315 A 19 PHE H A 17 ILE HG2% 1.0 1.984 5.298 358 316 A 41 CYS H A 17 ILE HB 1.0 1.987 5.353 359 317 A 14 ARG H A 30 ILE HD1% 1.0 1.998 5.710 360 318 A 19 PHE HD2 A 17 ILE HD1% 1.0 1.986 5.342 361 318 A 19 PHE HD1 A 17 ILE HD1% 1.0 1.986 5.342 362 319 A 28 TYR HD1 A 30 ILE HD1% 1.0 1.984 5.304 363 319 A 28 TYR HD2 A 30 ILE HD1% 1.0 1.984 5.304 364 320 A 28 TYR HE2 A 30 ILE HD1% 1.0 1.985 5.335 365 320 A 28 TYR HE1 A 30 ILE HD1% 1.0 1.985 5.335 366 321 A 41 CYS HA A 30 ILE HG2% 1.0 1.983 5.267 367 322 A 41 CYS HA A 42 ALA HB% 1.0 1.946 4.736 368 323 A 18 CYS HA A 17 ILE HG2% 1.0 1.981 5.253 369 324 A 32 THR HA A 32 THR HG2% 1.0 1.875 4.127 370 325 A 18 CYS HA A 40 CYS HB3 1.0 2.000 6.040 371 326 A 18 CYS HA A 40 CYS HB2 1.0 1.991 5.475 372 327 A 18 CYS HA A 33 CYS HB2 1.0 1.993 5.529 373 328 A 18 CYS HA A 33 CYS HB3 1.0 1.997 5.727 374 329 A 18 CYS HA A 17 ILE HA 1.0 1.990 5.452 375 330 A 40 CYS H A 29 TRP HD1 1.0 1.983 5.279 376 331 A 37 ILE H A 35 ASN H 1.0 1.999 5.879 377 332 A 29 TRP HD1 A 30 ILE H 1.0 1.978 5.180 378 333 A 23 CYS H A 22 ILE H 1.0 1.957 4.881 379 334 A 39 SER H A 21 GLY H 1.0 1.978 5.190 380 335 A 39 SER H A 38 GLY H 1.0 1.962 4.936 381 336 A 32 THR H A 40 CYS H 1.0 1.998 5.754 382 337 A 29 TRP H A 30 ILE H 1.0 1.979 5.209 383 338 A 27 TYR HD1 A 41 CYS H 1.0 1.998 5.728 384 338 A 27 TYR HD2 A 41 CYS H 1.0 1.998 5.728 385 339 A 41 CYS H A 19 PHE HE2 1.0 1.999 5.833 386 339 A 41 CYS H A 19 PHE HE1 1.0 1.999 5.833 387 340 A 42 ALA H A 28 TYR HE1 1.0 1.996 6.356 388 340 A 42 ALA H A 28 TYR HE2 1.0 1.996 6.356 389 341 A 29 TRP HZ2 A 31 GLY H 1.0 1.985 5.327 390 342 A 18 CYS HA A 19 PHE HD1 1.0 1.936 4.632 391 342 A 18 CYS HA A 19 PHE HD2 1.0 1.936 4.632 392 343 A 45 TRP HA A 28 TYR HE1 1.0 1.980 5.224 393 343 A 45 TRP HA A 28 TYR HE2 1.0 1.980 5.224 394 344 A 19 PHE HA A 19 PHE HE2 1.0 1.992 5.506 395 344 A 19 PHE HA A 19 PHE HE1 1.0 1.992 5.506 396 345 A 27 TYR HD1 A 26 PRO HA 1.0 1.999 5.795 397 345 A 27 TYR HD2 A 26 PRO HA 1.0 1.999 5.795 398 346 A 35 ASN HA A 35 ASN HD22 1.0 1.979 5.215 399 347 A 27 TYR HD1 A 25 ARG HA 1.0 1.940 4.678 400 347 A 27 TYR HD2 A 25 ARG HA 1.0 1.940 4.678 401 348 A 19 PHE HD1 A 39 SER HB2 1.0 1.987 5.355 402 348 A 19 PHE HD2 A 39 SER HB2 1.0 1.987 5.355 403 349 A 28 TYR HD2 A 45 TRP HA 1.0 1.986 5.358 404 349 A 28 TYR HD1 A 45 TRP HA 1.0 1.986 5.358 405 350 A 30 ILE HA A 29 TRP HZ3 1.0 1.940 4.674 406 351 A 22 ILE HA A 39 SER HB2 1.0 1.935 4.627 407 352 A 5 PRO HA A 5 PRO HD2 1.0 1.935 4.619 408 353 A 7 PRO HA A 7 PRO HD3 1.0 1.984 5.304 409 354 A 3 PHE HA A 2 PRO HD3 1.0 1.943 4.703 410 355 A 30 ILE HD1% A 30 ILE HB 1.0 1.726 3.310 411 356 A 26 PRO HG3 A 26 PRO HG2 1.0 1.817 3.761 412 357 A 37 ILE HG2% A 37 ILE HB 1.0 1.685 3.143 413 358 A 37 ILE HD1% A 37 ILE HB 1.0 1.826 3.814 414 359 A 26 PRO HB3 A 26 PRO HG2 1.0 1.786 3.600 415 360 A 14 ARG HB2 A 14 ARG HB3 1.0 1.485 2.455 416 361 A 37 ILE HG13 A 37 ILE HB 1.0 1.797 3.655 417 362 A 37 ILE HG12 A 37 ILE HB 1.0 1.802 3.682 418 363 A 41 CYS HB2 A 41 CYS HB3 1.0 1.530 2.590 419 364 A 34 ASN HB2 A 34 ASN HB3 1.0 1.583 2.765 420 365 A 9 ASP HB2 A 9 ASP HB3 1.0 1.482 2.444 421 366 A 20 PRO HD3 A 19 PHE HB2 1.0 1.824 3.804 422 367 A 22 ILE HB A 22 ILE HG2% 1.0 1.586 2.772 423 368 A 13 LEU HB3 A 13 LEU HD2% 1.0 1.647 2.993 424 369 A 12 ARG HG3 A 13 LEU HD2% 1.0 1.569 2.719 425 370 A 8 ILE HB A 8 ILE HG2% 1.0 1.604 2.836 426 371 A 30 ILE HG2% A 30 ILE HB 1.0 1.561 2.689 427 372 A 8 ILE HG13 A 8 ILE HG2% 1.0 1.592 2.794 428 373 A 22 ILE HG12 A 22 ILE HD1% 1.0 1.626 2.916 429 374 A 43 ARG HG2 A 43 ARG HG3 1.0 1.645 2.985 430 375 A 8 ILE HG12 A 8 ILE HG13 1.0 1.580 2.754 431 376 A 22 ILE HB A 22 ILE HG13 1.0 1.854 3.984 432 377 A 7 PRO HB3 A 7 PRO HB2 1.0 1.415 2.257 433 378 A 2 PRO HB3 A 2 PRO HB2 1.0 1.786 3.598 434 379 A 26 PRO HB3 A 26 PRO HG3 1.0 1.526 2.580 435 380 A 40 CYS HB3 A 40 CYS HB2 1.0 1.608 2.848 436 381 A 1 PCA HB3 A 1 PCA HG3 1.0 1.649 3.001 437 382 A 20 PRO HD3 A 19 PHE HB3 1.0 1.945 4.731 438 383 A 39 SER HB3 A 19 PHE HB3 1.0 1.950 4.782 439 384 A 39 SER HB2 A 19 PHE HB3 1.0 1.946 4.740 440 385 A 38 GLY HA3 A 34 ASN HB3 1.0 1.963 4.939 441 386 A 1 PCA HB3 A 2 PRO HD2 1.0 1.968 5.018 442 387 A 26 PRO HA A 26 PRO HB3 1.0 1.698 3.194 443 388 A 5 PRO HA A 5 PRO HB2 1.0 1.693 3.171 444 389 A 7 PRO HA A 7 PRO HB3 1.0 1.619 2.891 445 390 A 31 GLY H A 30 ILE HB 1.0 1.964 4.962 446 391 A 32 THR HG2% A 31 GLY H 1.0 1.999 5.879 447 392 A 27 TYR HD1 A 26 PRO HB2 1.0 1.977 5.153 448 392 A 27 TYR HD2 A 26 PRO HB2 1.0 1.977 5.153 449 393 A 27 TYR HE1 A 26 PRO HB2 1.0 1.953 4.823 450 393 A 27 TYR HE2 A 26 PRO HB2 1.0 1.953 4.823 451 394 A 13 LEU HB3 A 46 ARG HE 1.0 1.994 6.424 452 395 A 14 ARG HB3 A 14 ARG HE 1.0 1.966 4.986 453 396 A 34 ASN HD22 A 37 ILE HB 1.0 1.969 5.033 454 397 A 17 ILE HB A 19 PHE HZ 1.0 1.955 4.841 455 398 A 5 PRO HB2 A 3 PHE HZ 1.0 1.986 5.344 456 399 A 45 TRP HE3 A 26 PRO HB3 1.0 1.995 5.591 457 400 A 27 TYR HA A 28 TYR HE1 1.0 1.992 5.526 458 400 A 27 TYR HA A 28 TYR HE2 1.0 1.992 5.526 459 401 A 19 PHE HD1 A 41 CYS HA 1.0 1.992 5.522 460 401 A 19 PHE HD2 A 41 CYS HA 1.0 1.992 5.522 461 402 A 27 TYR HD1 A 41 CYS HA 1.0 1.997 5.693 462 402 A 27 TYR HD2 A 41 CYS HA 1.0 1.997 5.693 463 403 A 38 GLY H A 39 SER HB2 1.0 1.984 5.304 464 404 A 38 GLY HA2 A 34 ASN HD21 1.0 1.981 5.251 465 405 A 38 GLY H A 34 ASN HD21 1.0 1.633 2.941 466 406 A 39 SER H A 39 SER HG 1.0 1.983 5.267 467 407 A 18 CYS HA A 39 SER H 1.0 2.000 6.034 468 408 A 42 ALA H A 29 TRP HA 1.0 1.984 5.304 469 409 A 17 ILE H A 16 GLY H 1.0 1.973 5.091 470 410 A 41 CYS HA A 31 GLY H 1.0 2.000 5.986 471 411 A 29 TRP HE3 A 31 GLY H 1.0 1.926 4.542 472 412 A 32 THR H A 31 GLY H 1.0 1.953 4.823 473 413 A 29 TRP H A 41 CYS HA 1.0 1.989 5.425 474 414 A 29 TRP H A 30 ILE HA 1.0 1.996 6.364 475 415 A 29 TRP HA A 29 TRP HE3 1.0 1.981 5.235 476 416 A 45 TRP HE3 A 26 PRO HA 1.0 1.935 4.627 477 417 A 29 TRP HD1 A 22 ILE HA 1.0 1.962 4.936 478 418 A 45 TRP HE3 A 44 GLY HA2 1.0 1.965 4.979 479 419 A 23 CYS H A 39 SER HB2 1.0 1.985 5.337 480 420 A 28 TYR H A 27 TYR HB3 1.0 1.836 3.872 481 421 A 10 THR H A 9 ASP HB2 1.0 1.976 5.144 482 422 A 29 TRP HE1 A 32 THR HB 1.0 1.992 6.512 483 423 A 29 TRP HE1 A 39 SER HB2 1.0 1.999 6.239 484 424 A 19 PHE H A 38 GLY HA2 1.0 1.997 6.325 485 425 A 19 PHE H A 39 SER HB3 1.0 2.000 5.948 486 426 A 19 PHE H A 17 ILE HB 1.0 2.000 6.058 487 427 A 19 PHE H A 21 GLY H 1.0 1.995 6.387 488 428 A 28 TYR H A 44 GLY H 1.0 1.996 6.358 489 429 A 27 TYR H A 44 GLY HA3 1.0 1.968 7.046 490 430 A 34 ASN H A 34 ASN HB2 1.0 1.980 5.228 491 431 A 41 CYS H A 18 CYS H 1.0 2.000 6.142 492 432 A 41 CYS H A 17 ILE HA 1.0 1.990 6.570 493 433 A 34 ASN H A 35 ASN H 1.0 1.999 5.827 494 434 A 27 TYR H A 28 TYR H 1.0 2.000 6.038 495 435 A 28 TYR H A 41 CYS HA 1.0 1.945 4.737 496 436 A 42 ALA H A 43 ARG HA 1.0 1.992 6.508 497 437 A 27 TYR HA A 42 ALA H 1.0 1.953 4.821 498 438 A 29 TRP HE1 A 39 SER H 1.0 1.994 6.456 499 439 A 39 SER H A 40 CYS HB2 1.0 1.985 6.707 500 440 A 32 THR HA A 39 SER H 1.0 1.970 7.010 501 441 A 29 TRP H A 30 ILE HG2% 1.0 1.997 5.675 502 442 A 40 CYS H A 32 THR HG2% 1.0 1.968 5.034 503 443 A 40 CYS H A 32 THR HB 1.0 1.986 5.348 504 444 A 19 PHE H A 40 CYS H 1.0 1.984 6.740 505 445 A 40 CYS H A 39 SER H 1.0 1.994 6.438 506 446 A 40 CYS H A 31 GLY HA3 1.0 1.997 5.729 507 447 A 18 CYS HA A 40 CYS H 1.0 1.971 6.993 508 448 A 40 CYS H A 31 GLY HA2 1.0 1.998 5.732 509 449 A 40 CYS H A 41 CYS H 1.0 1.999 5.841 510 450 A 43 ARG H A 43 ARG HD2 1.0 1.998 6.256 511 451 A 40 CYS H A 33 CYS HB3 1.0 1.991 5.485 512 452 A 40 CYS H A 33 CYS HB2 1.0 1.985 6.707 513 453 A 27 TYR HA A 43 ARG H 1.0 1.998 5.752 514 454 A 43 ARG H A 43 ARG HG2 1.0 1.954 4.836 515 455 A 43 ARG H A 17 ILE HD1% 1.0 1.993 6.491 516 456 A 42 ALA H A 43 ARG H 1.0 1.961 7.157 517 457 A 42 ALA HA A 17 ILE H 1.0 1.955 4.853 518 458 A 17 ILE H A 17 ILE HD1% 1.0 1.972 5.086 519 459 A 17 ILE H A 30 ILE HD1% 1.0 1.982 6.778 520 460 A 30 ILE H A 30 ILE HD1% 1.0 1.999 5.793 521 461 A 23 CYS H A 22 ILE HG12 1.0 1.973 5.101 522 462 A 23 CYS H A 19 PHE HB2 1.0 1.958 4.882 523 463 A 30 ILE H A 29 TRP HB3 1.0 1.973 5.101 524 464 A 40 CYS H A 30 ILE H 1.0 1.965 4.975 525 465 A 42 ALA H A 30 ILE H 1.0 1.995 5.593 526 466 A 30 ILE H A 42 ALA HB% 1.0 1.999 5.843 527 467 A 30 ILE H A 41 CYS HB2 1.0 1.983 5.287 528 468 A 30 ILE H A 31 GLY HA2 1.0 2.000 6.038 529 469 A 28 TYR HA A 30 ILE H 1.0 1.998 6.252 530 470 A 30 ILE H A 28 TYR HE1 1.0 1.989 6.613 531 470 A 30 ILE H A 28 TYR HE2 1.0 1.989 6.613 532 471 A 40 CYS HA A 18 CYS H 1.0 1.992 5.510 533 472 A 18 CYS H A 17 ILE HD1% 1.0 1.978 5.188 534 473 A 18 CYS H A 33 CYS HB2 1.0 1.997 6.279 535 474 A 44 GLY H A 42 ALA HA 1.0 1.989 5.433 536 475 A 44 GLY H A 43 ARG HD2 1.0 1.991 5.499 537 476 A 44 GLY H A 43 ARG H 1.0 1.997 5.709 538 477 A 44 GLY H A 43 ARG HB3 1.0 1.962 4.924 539 478 A 44 GLY H A 43 ARG HB2 1.0 1.967 5.007 540 479 A 44 GLY H A 43 ARG HG2 1.0 1.964 4.962 541 480 A 11 CYS H A 10 THR HG2% 1.0 1.966 4.988 542 481 A 11 CYS H A 13 LEU HD2% 1.0 1.999 6.173 543 482 A 11 CYS H A 9 ASP HB3 1.0 2.000 6.076 544 483 A 11 CYS H A 30 ILE HD1% 1.0 1.997 6.345 545 484 A 11 CYS H A 13 LEU H 1.0 1.968 5.020 546 485 A 10 THR H A 13 LEU HD2% 1.0 1.960 4.910 547 486 A 10 THR H A 12 ARG HD2 1.0 1.970 7.008 548 487 A 6 ARG H A 3 PHE HE1 1.0 1.996 6.374 549 487 A 6 ARG H A 3 PHE HE2 1.0 1.996 6.374 550 488 A 6 ARG H A 7 PRO HD3 1.0 1.991 5.489 551 489 A 6 ARG H A 7 PRO HD2 1.0 1.994 5.586 552 490 A 6 ARG H A 3 PHE HB3 1.0 1.982 6.764 553 491 A 32 THR H A 29 TRP HE1 1.0 1.996 6.398 554 492 A 38 GLY H A 33 CYS HB2 1.0 1.993 6.473 555 493 A 38 GLY H A 38 GLY HA3 1.0 1.670 3.084 556 494 A 3 PHE H A 4 ILE H 1.0 1.998 5.766 557 495 A 3 PHE H A 2 PRO HB3 1.0 1.953 4.829 558 496 A 3 PHE H A 3 PHE HD2 1.0 1.998 6.256 559 496 A 3 PHE H A 3 PHE HD1 1.0 1.998 6.256 560 497 A 45 TRP H A 46 ARG HB2 1.0 1.988 6.636 561 498 A 45 TRP H A 46 ARG HB3 1.0 1.990 6.588 562 499 A 45 TRP H A 28 TYR HE1 1.0 1.999 5.817 563 499 A 45 TRP H A 28 TYR HE2 1.0 1.999 5.817 564 500 A 45 TRP H A 45 TRP HE3 1.0 1.989 5.417 565 501 A 44 GLY H A 45 TRP H 1.0 1.953 4.821 566 502 A 45 TRP H A 26 PRO HB3 1.0 1.994 6.438 567 503 A 45 TRP H A 42 ALA HB% 1.0 2.000 6.006 568 504 A 11 CYS H A 12 ARG H 1.0 1.778 3.558 569 505 A 9 ASP HB3 A 12 ARG H 1.0 2.000 6.126 570 506 A 12 ARG H A 10 THR HG2% 1.0 1.992 6.510 571 507 A 42 ALA HA A 16 GLY H 1.0 1.999 5.811 572 508 A 16 GLY H A 16 GLY HA2 1.0 1.772 3.528 573 509 A 15 ASN H A 15 ASN HD22 1.0 1.992 6.522 574 510 A 19 PHE HA A 21 GLY H 1.0 1.993 5.531 575 511 A 21 GLY H A 19 PHE HB3 1.0 1.977 5.161 576 512 A 24 ARG H A 23 CYS HB3 1.0 1.945 4.727 577 513 A 24 ARG H A 22 ILE HD1% 1.0 1.984 6.736 578 514 A 46 ARG H A 30 ILE HD1% 1.0 1.979 6.835 579 515 A 46 ARG H A 45 TRP HD1 1.0 1.979 5.203 580 516 A 45 TRP H A 46 ARG H 1.0 1.932 4.594 581 517 A 27 TYR H A 24 ARG H 1.0 1.998 5.730 582 518 A 46 ARG H A 45 TRP HB3 1.0 1.944 4.712 583 519 A 4 ILE H A 3 PHE HB2 1.0 1.984 5.308 584 520 A 4 ILE H A 3 PHE HB3 1.0 1.993 5.527 585 521 A 4 ILE H A 5 PRO HD2 1.0 1.995 6.377 586 522 A 4 ILE H A 4 ILE HG13 1.0 1.957 4.873 587 523 A 4 ILE H A 3 PHE HD2 1.0 2.000 6.002 588 523 A 4 ILE H A 3 PHE HD1 1.0 2.000 6.002 589 524 A 13 LEU H A 12 ARG H 1.0 1.819 3.775 590 525 A 21 GLY H A 22 ILE H 1.0 1.904 4.340 591 526 A 13 LEU H A 10 THR HG2% 1.0 1.999 5.953 592 527 A 11 CYS HA A 13 LEU H 1.0 1.984 5.312 593 528 A 13 LEU H A 9 ASP HB2 1.0 2.000 5.996 594 529 A 13 LEU H A 12 ARG HD2 1.0 1.982 6.778 595 530 A 47 SER H A 47 SER HA 1.0 1.848 3.944 596 531 A 47 SER H A 46 ARG HB2 1.0 1.960 4.908 597 532 A 47 SER H A 5 PRO HD2 1.0 1.955 4.843 598 533 A 33 CYS H A 39 SER H 1.0 1.995 5.609 599 534 A 33 CYS H A 40 CYS H 1.0 1.967 5.013 600 535 A 33 CYS H A 29 TRP HE1 1.0 1.970 7.016 601 536 A 33 CYS H A 40 CYS HB2 1.0 1.989 5.409 602 537 A 36 GLY H A 37 ILE HB 1.0 2.000 6.030 603 538 A 36 GLY H A 35 ASN HB2 1.0 1.970 5.052 604 539 A 33 CYS H A 34 ASN H 1.0 1.979 6.835 605 540 A 33 CYS H A 34 ASN HB2 1.0 1.986 5.362 606 541 A 36 GLY H A 37 ILE HG12 1.0 1.998 6.268 607 542 A 36 GLY H A 37 ILE HG2% 1.0 1.976 6.902 608 543 A 36 GLY H A 34 ASN HB3 1.0 1.977 6.897 609 544 A 36 GLY H A 35 ASN HB3 1.0 1.939 4.669 610 545 A 36 GLY H A 33 CYS HA 1.0 1.997 5.713 611 546 A 35 ASN H A 36 GLY H 1.0 1.831 3.841 612 547 A 44 GLY H A 45 TRP HE3 1.0 1.995 6.401 613 548 A 45 TRP HE3 A 25 ARG HE 1.0 1.958 4.888 614 549 A 45 TRP HE3 A 44 GLY HA3 1.0 1.990 5.424 615 550 A 45 TRP HE3 A 26 PRO HG3 1.0 1.987 6.647 616 551 A 45 TRP HE3 A 46 ARG HB2 1.0 1.998 6.286 617 552 A 35 ASN HA A 35 ASN HD21 1.0 1.990 5.438 618 553 A 35 ASN HD21 A 37 ILE HD1% 1.0 1.995 6.419 619 554 A 37 ILE H A 35 ASN HB2 1.0 1.968 5.022 620 555 A 38 GLY HA3 A 34 ASN HD21 1.0 1.982 5.248 621 556 A 19 PHE HA A 34 ASN HD21 1.0 2.000 5.990 622 557 A 29 TRP HE3 A 30 ILE HG2% 1.0 1.958 4.876 623 558 A 28 TYR HB2 A 45 TRP HZ2 1.0 1.978 5.184 624 559 A 30 ILE H A 29 TRP HE3 1.0 1.983 5.283 625 560 A 29 TRP H A 29 TRP HE3 1.0 1.971 5.069 626 561 A 45 TRP HZ2 A 45 TRP HE1 1.0 1.803 3.685 627 562 A 29 TRP HD1 A 32 THR HG2% 1.0 1.963 4.951 628 563 A 29 TRP HD1 A 22 ILE HG2% 1.0 1.991 5.477 629 564 A 29 TRP HD1 A 22 ILE HB 1.0 2.000 6.154 630 565 A 29 TRP HD1 A 23 CYS HB2 1.0 2.000 5.890 631 566 A 29 TRP HD1 A 23 CYS HB3 1.0 1.980 5.220 632 567 A 29 TRP HD1 A 41 CYS HB2 1.0 1.984 6.734 633 568 A 29 TRP HD1 A 41 CYS HA 1.0 1.994 6.434 634 569 A 29 TRP HD1 A 39 SER HG 1.0 1.997 5.679 635 570 A 29 TRP HD1 A 23 CYS H 1.0 1.862 4.034 636 571 A 29 TRP HD1 A 39 SER H 1.0 1.987 6.667 637 572 A 29 TRP HE1 A 29 TRP HD1 1.0 1.502 2.508 638 573 A 29 TRP HE1 A 29 TRP HZ2 1.0 1.686 3.144 639 574 A 29 TRP HE1 A 29 TRP HH2 1.0 1.982 5.252 640 575 A 45 TRP HD1 A 45 TRP HE1 1.0 1.643 2.979 641 576 A 29 TRP HZ2 A 29 TRP HH2 1.0 1.547 2.645 642 577 A 29 TRP HH2 A 31 GLY H 1.0 1.999 6.129 643 578 A 32 THR HA A 29 TRP HZ2 1.0 1.979 5.201 644 579 A 28 TYR HA A 45 TRP HH2 1.0 1.998 5.760 645 580 A 32 THR HB A 29 TRP HZ2 1.0 1.996 5.656 646 581 A 31 GLY HA2 A 29 TRP HH2 1.0 1.947 4.761 647 582 A 3 PHE HD2 A 1 PCA HB2 1.0 1.999 6.133 648 582 A 3 PHE HD1 A 1 PCA HB2 1.0 1.999 6.133 649 583 A 3 PHE HD2 A 5 PRO HD2 1.0 1.999 6.105 650 583 A 3 PHE HD1 A 5 PRO HD2 1.0 1.999 6.105 651 584 A 5 PRO HA A 3 PHE HD2 1.0 1.997 5.675 652 584 A 5 PRO HA A 3 PHE HD1 1.0 1.997 5.675 653 585 A 5 PRO HA A 3 PHE HZ 1.0 1.982 5.274 654 586 A 5 PRO HA A 3 PHE HE1 1.0 2.000 5.984 655 586 A 5 PRO HA A 3 PHE HE2 1.0 2.000 5.984 656 587 A 5 PRO HD2 A 3 PHE HZ 1.0 1.997 6.299 657 588 A 3 PHE HB3 A 3 PHE HZ 1.0 1.998 6.274 658 589 A 45 TRP HB3 A 3 PHE HE1 1.0 2.000 6.060 659 589 A 45 TRP HB3 A 3 PHE HE2 1.0 2.000 6.060 660 590 A 4 ILE HA A 3 PHE HZ 1.0 1.998 6.230 661 591 A 13 LEU HD2% A 12 ARG HE 1.0 1.993 6.471 662 592 A 19 PHE HD1 A 17 ILE HA 1.0 1.999 6.175 663 592 A 19 PHE HD2 A 17 ILE HA 1.0 1.999 6.175 664 593 A 19 PHE HD1 A 23 CYS HA 1.0 1.962 4.936 665 593 A 19 PHE HD2 A 23 CYS HA 1.0 1.962 4.936 666 594 A 32 THR HA A 29 TRP HH2 1.0 1.992 6.500 667 595 A 19 PHE HD1 A 19 PHE HZ 1.0 1.945 4.725 668 595 A 19 PHE HD2 A 19 PHE HZ 1.0 1.945 4.725 669 596 A 19 PHE HD1 A 17 ILE H 1.0 1.995 5.629 670 596 A 19 PHE HD2 A 17 ILE H 1.0 1.995 5.629 671 597 A 39 SER H A 19 PHE HD1 1.0 1.997 5.695 672 597 A 39 SER H A 19 PHE HD2 1.0 1.997 5.695 673 598 A 19 PHE HD1 A 41 CYS H 1.0 1.909 4.385 674 598 A 19 PHE HD2 A 41 CYS H 1.0 1.909 4.385 675 599 A 19 PHE H A 19 PHE HD1 1.0 1.792 3.626 676 599 A 19 PHE H A 19 PHE HD2 1.0 1.792 3.626 677 600 A 29 TRP HZ3 A 31 GLY H 1.0 2.000 6.118 678 601 A 29 TRP HZ3 A 30 ILE HG2% 1.0 1.991 6.519 679 602 A 31 GLY HA2 A 29 TRP HZ3 1.0 2.000 6.038 680 603 A 29 TRP HZ3 A 29 TRP HH2 1.0 1.519 2.557 681 604 A 30 ILE H A 29 TRP HZ3 1.0 1.996 6.336 682 605 A 46 ARG H A 46 ARG HE 1.0 1.997 6.305 683 606 A 28 TYR HA A 45 TRP HZ3 1.0 1.999 5.821 684 607 A 26 PRO HA A 45 TRP HZ3 1.0 1.995 6.409 685 608 A 5 PRO HA A 46 ARG HE 1.0 1.999 6.135 686 609 A 28 TYR HB3 A 45 TRP HZ3 1.0 2.000 6.088 687 610 A 43 ARG HG2 A 43 ARG HE 1.0 1.965 7.093 688 611 A 28 TYR HD2 A 10 THR HG2% 1.0 1.958 7.210 689 611 A 28 TYR HD1 A 10 THR HG2% 1.0 1.958 7.210 690 612 A 28 TYR HD2 A 30 ILE HB 1.0 1.993 6.489 691 612 A 28 TYR HD1 A 30 ILE HB 1.0 1.993 6.489 692 613 A 28 TYR HD2 A 41 CYS HB3 1.0 1.989 6.597 693 613 A 28 TYR HD1 A 41 CYS HB3 1.0 1.989 6.597 694 614 A 28 TYR HD2 A 45 TRP HB3 1.0 1.989 6.613 695 614 A 28 TYR HD1 A 45 TRP HB3 1.0 1.989 6.613 696 615 A 28 TYR HD2 A 29 TRP HB2 1.0 1.998 6.284 697 615 A 28 TYR HD1 A 29 TRP HB2 1.0 1.998 6.284 698 616 A 28 TYR HD2 A 44 GLY HA2 1.0 1.925 4.531 699 616 A 28 TYR HD1 A 44 GLY HA2 1.0 1.925 4.531 700 617 A 14 ARG HA A 14 ARG HE 1.0 1.969 7.029 701 618 A 27 TYR HA A 28 TYR HD2 1.0 1.900 4.306 702 618 A 27 TYR HA A 28 TYR HD1 1.0 1.900 4.306 703 619 A 28 TYR HD2 A 45 TRP H 1.0 1.999 6.185 704 619 A 28 TYR HD1 A 45 TRP H 1.0 1.999 6.185 705 620 A 28 TYR HD2 A 46 ARG H 1.0 1.993 6.485 706 620 A 28 TYR HD1 A 46 ARG H 1.0 1.993 6.485 707 621 A 44 GLY H A 28 TYR HD2 1.0 1.929 4.567 708 621 A 44 GLY H A 28 TYR HD1 1.0 1.929 4.567 709 622 A 28 TYR HD2 A 30 ILE H 1.0 2.000 5.920 710 622 A 28 TYR HD1 A 30 ILE H 1.0 2.000 5.920 711 623 A 43 ARG H A 28 TYR HD2 1.0 2.000 5.910 712 623 A 43 ARG H A 28 TYR HD1 1.0 2.000 5.910 713 624 A 28 TYR H A 28 TYR HD2 1.0 1.731 3.337 714 624 A 28 TYR H A 28 TYR HD1 1.0 1.731 3.337 715 625 A 34 ASN H A 34 ASN HD22 1.0 1.982 6.760 716 626 A 28 TYR H A 27 TYR HD1 1.0 1.928 4.552 717 626 A 28 TYR H A 27 TYR HD2 1.0 1.928 4.552 718 627 A 27 TYR HD1 A 42 ALA H 1.0 1.954 4.830 719 627 A 27 TYR HD2 A 42 ALA H 1.0 1.954 4.830 720 628 A 27 TYR HD1 A 43 ARG H 1.0 1.907 4.371 721 628 A 27 TYR HD2 A 43 ARG H 1.0 1.907 4.371 722 629 A 43 ARG H A 27 TYR HE1 1.0 1.935 4.617 723 629 A 43 ARG H A 27 TYR HE2 1.0 1.935 4.617 724 630 A 27 TYR HD1 A 44 GLY H 1.0 2.000 6.062 725 630 A 27 TYR HD2 A 44 GLY H 1.0 2.000 6.062 726 631 A 27 TYR HD1 A 24 ARG H 1.0 1.956 4.856 727 631 A 27 TYR HD2 A 24 ARG H 1.0 1.956 4.856 728 632 A 27 TYR HD1 A 19 PHE HZ 1.0 1.965 4.975 729 632 A 27 TYR HD2 A 19 PHE HZ 1.0 1.965 4.975 730 633 A 27 TYR HE1 A 19 PHE HZ 1.0 1.937 4.651 731 633 A 27 TYR HE2 A 19 PHE HZ 1.0 1.937 4.651 732 634 A 33 CYS HB2 A 34 ASN HD22 1.0 1.999 6.207 733 635 A 35 ASN HB2 A 35 ASN HD22 1.0 1.838 3.884 734 636 A 27 TYR HD1 A 23 CYS HB2 1.0 1.994 5.584 735 636 A 27 TYR HD2 A 23 CYS HB2 1.0 1.994 5.584 736 637 A 27 TYR HD1 A 26 PRO HB3 1.0 1.983 6.737 737 637 A 27 TYR HD2 A 26 PRO HB3 1.0 1.983 6.737 738 638 A 27 TYR HD1 A 26 PRO HG3 1.0 1.983 6.749 739 638 A 27 TYR HD2 A 26 PRO HG3 1.0 1.983 6.749 740 639 A 27 TYR HD1 A 43 ARG HG2 1.0 1.967 5.011 741 639 A 27 TYR HD2 A 43 ARG HG2 1.0 1.967 5.011 742 640 A 27 TYR HD2 A 17 ILE HG2% 1.0 1.979 5.189 743 640 A 27 TYR HD1 A 17 ILE HG2% 1.0 1.979 5.189 744 641 A 15 ASN HB3 A 15 ASN HD22 1.0 1.951 4.797 745 642 A 15 ASN HB2 A 15 ASN HD22 1.0 1.942 4.696 746 643 A 15 ASN HD21 A 15 ASN HD22 1.0 1.182 1.700 747 644 A 19 PHE HB3 A 19 PHE HE2 1.0 1.997 5.725 748 644 A 19 PHE HB3 A 19 PHE HE1 1.0 1.997 5.725 749 645 A 41 CYS HB2 A 19 PHE HE2 1.0 1.942 4.696 750 645 A 41 CYS HB2 A 19 PHE HE1 1.0 1.942 4.696 751 646 A 20 PRO HD3 A 19 PHE HE2 1.0 1.999 5.829 752 646 A 20 PRO HD3 A 19 PHE HE1 1.0 1.999 5.829 753 647 A 24 ARG H A 19 PHE HE2 1.0 1.995 6.371 754 647 A 24 ARG H A 19 PHE HE1 1.0 1.995 6.371 755 648 A 17 ILE H A 19 PHE HE2 1.0 1.996 5.628 756 648 A 17 ILE H A 19 PHE HE1 1.0 1.996 5.628 757 649 A 28 TYR H A 19 PHE HE2 1.0 1.992 6.506 758 649 A 28 TYR H A 19 PHE HE1 1.0 1.992 6.506 759 650 A 19 PHE H A 19 PHE HE2 1.0 1.976 6.892 760 650 A 19 PHE H A 19 PHE HE1 1.0 1.976 6.892 761 651 A 28 TYR HE1 A 46 ARG HB2 1.0 1.990 6.572 762 651 A 28 TYR HE2 A 46 ARG HB2 1.0 1.990 6.572 763 652 A 28 TYR HE1 A 30 ILE HB 1.0 1.995 5.615 764 652 A 28 TYR HE2 A 30 ILE HB 1.0 1.995 5.615 765 653 A 46 ARG H A 28 TYR HE1 1.0 1.998 6.250 766 653 A 46 ARG H A 28 TYR HE2 1.0 1.998 6.250 767 654 A 44 GLY H A 28 TYR HE1 1.0 1.928 4.554 768 654 A 44 GLY H A 28 TYR HE2 1.0 1.928 4.554 769 655 A 43 ARG H A 28 TYR HE1 1.0 2.000 6.096 770 655 A 43 ARG H A 28 TYR HE2 1.0 2.000 6.096 771 656 A 28 TYR H A 28 TYR HE1 1.0 1.969 5.047 772 656 A 28 TYR H A 28 TYR HE2 1.0 1.969 5.047 773 657 A 41 CYS HB3 A 19 PHE HZ 1.0 2.000 6.128 774 658 A 24 ARG H A 19 PHE HZ 1.0 1.996 6.360 775 659 A 32 THR HA A 31 GLY H 1.0 1.991 6.565 776 660 A 29 TRP HB2 A 31 GLY H 1.0 1.997 6.277 777 661 A 29 TRP HB3 A 31 GLY H 1.0 1.995 6.393 778 662 A 22 ILE H A 39 SER HG 1.0 1.990 6.570 779 663 A 21 GLY H A 39 SER HG 1.0 1.977 6.881 780 664 A 40 CYS H A 39 SER HG 1.0 1.999 6.097 781 665 A 23 CYS H A 39 SER HG 1.0 2.000 6.054 782 666 A 39 SER HB3 A 39 SER HG 1.0 1.955 4.845 783 667 A 22 ILE HG2% A 39 SER HG 1.0 1.998 6.268 784 668 A 42 ALA HA A 41 CYS HA 1.0 1.999 5.903 785 669 A 40 CYS HA A 41 CYS HA 1.0 1.998 6.228 786 670 A 23 CYS HB2 A 41 CYS HA 1.0 1.999 6.147 787 671 A 41 CYS HA A 30 ILE HD1% 1.0 1.996 6.350 788 672 A 18 CYS HA A 41 CYS H 1.0 1.909 4.379 789 673 A 18 CYS HA A 18 CYS H 1.0 1.809 3.717 790 674 A 18 CYS HA A 39 SER HB2 1.0 1.993 6.459 791 675 A 28 TYR HA A 28 TYR HB2 1.0 1.999 5.907 792 676 A 41 CYS H A 17 ILE HG2% 1.0 1.997 5.675 793 677 A 41 CYS H A 30 ILE HD1% 1.0 1.999 6.189 794 678 A 41 CYS H A 17 ILE HD1% 1.0 1.983 6.743 795 679 A 41 CYS H A 40 CYS HB2 1.0 1.985 5.317 796 680 A 17 ILE H A 17 ILE HG2% 1.0 1.900 4.306 797 681 A 16 GLY H A 17 ILE HG2% 1.0 1.994 6.460 798 682 A 17 ILE HD1% A 17 ILE HG2% 1.0 1.696 3.184 799 683 A 17 ILE HB A 17 ILE HG2% 1.0 1.592 2.794 800 684 A 41 CYS HB3 A 17 ILE HG2% 1.0 2.000 5.926 801 685 A 19 PHE HB3 A 17 ILE HG2% 1.0 1.919 4.471 802 686 A 17 ILE HA A 17 ILE HG2% 1.0 1.658 3.034 803 687 A 40 CYS HA A 17 ILE HG2% 1.0 1.982 5.258 804 688 A 19 PHE HB2 A 17 ILE HG2% 1.0 1.999 6.027 805 689 A 11 CYS HA A 30 ILE HG12 1.0 1.996 6.348 806 690 A 30 ILE HA A 30 ILE HD1% 1.0 2.000 6.018 807 691 A 30 ILE HD1% A 16 GLY HA2 1.0 1.997 5.717 808 692 A 11 CYS HA A 30 ILE HD1% 1.0 1.953 4.821 809 693 A 26 PRO HA A 26 PRO HG2 1.0 1.947 4.757 810 694 A 42 ALA HB% A 16 GLY HA2 1.0 1.975 5.131 811 695 A 5 PRO HD2 A 4 ILE HD1% 1.0 1.960 4.906 812 696 A 40 CYS HB2 A 30 ILE HD1% 1.0 2.000 5.876 813 697 A 16 GLY HA3 A 42 ALA HB% 1.0 1.926 4.540 814 698 A 16 GLY HA3 A 17 ILE HG2% 1.0 1.988 6.624 815 699 A 16 GLY HA3 A 17 ILE HB 1.0 1.993 6.475 816 700 A 8 ILE HA A 9 ASP HA 1.0 1.980 5.218 817 701 A 32 THR HA A 32 THR HB 1.0 1.606 2.844 818 702 A 39 SER HA A 39 SER HB3 1.0 1.748 3.410 819 703 A 39 SER HA A 39 SER HB2 1.0 1.810 3.724 820 704 A 19 PHE HA A 20 PRO HD2 1.0 1.616 2.880 821 705 A 19 PHE HA A 20 PRO HD3 1.0 1.646 2.986 822 706 A 6 ARG HA A 7 PRO HD2 1.0 1.625 2.909 823 707 A 38 GLY HA2 A 38 GLY HA3 1.0 1.530 2.594 824 708 A 6 ARG HA A 7 PRO HD3 1.0 1.664 3.058 825 709 A 26 PRO HA A 25 ARG HA 1.0 1.549 2.653 826 710 A 29 TRP HA A 29 TRP HB2 1.0 1.793 3.633 827 711 A 29 TRP HA A 29 TRP HB3 1.0 1.745 3.397 828 712 A 28 TYR HA A 29 TRP HB2 1.0 1.956 4.856 829 713 A 28 TYR HA A 29 TRP HB3 1.0 1.940 4.672 830 714 A 27 TYR HA A 27 TYR HB3 1.0 1.882 4.172 831 715 A 9 ASP HB2 A 9 ASP HA 1.0 1.882 4.172 832 716 A 9 ASP HB3 A 9 ASP HA 1.0 1.819 3.773 833 717 A 29 TRP HA A 23 CYS HB3 1.0 1.997 5.707 834 718 A 25 ARG HA A 23 CYS HB3 1.0 1.982 5.260 835 719 A 5 PRO HB2 A 47 SER HA 1.0 2.000 5.850 836 720 A 23 CYS HA A 22 ILE HG12 1.0 2.000 6.060 837 721 A 21 GLY HA2 A 22 ILE HG2% 1.0 1.987 5.367 838 722 A 21 GLY HA2 A 22 ILE HG12 1.0 1.977 5.165 839 723 A 21 GLY HA2 A 22 ILE HG13 1.0 1.999 6.185 840 724 A 22 ILE HB A 22 ILE HG12 1.0 1.768 3.506 841 725 A 43 ARG HB2 A 17 ILE HD1% 1.0 1.805 3.699 842 726 A 22 ILE HG13 A 22 ILE HD1% 1.0 1.797 3.653 843 727 A 22 ILE HG13 A 22 ILE HG2% 1.0 1.856 3.996 844 728 A 22 ILE HG12 A 22 ILE HG2% 1.0 1.805 3.699 845 729 A 30 ILE HG2% A 30 ILE HD1% 1.0 1.549 2.651 846 730 A 42 ALA HB% A 30 ILE HD1% 1.0 1.613 2.865 847 731 A 14 ARG HA A 30 ILE HD1% 1.0 1.982 5.270 848 732 A 29 TRP HB2 A 23 CYS HB3 1.0 1.984 5.312 849 733 A 29 TRP HB3 A 23 CYS HB3 1.0 1.938 4.656 850 734 A 33 CYS HB2 A 34 ASN HB3 1.0 1.998 5.798 851 735 A 23 CYS HB3 A 23 CYS HB2 1.0 1.517 2.551 852 736 A 27 TYR HB2 A 23 CYS HB2 1.0 1.893 4.251 853 737 A 41 CYS HB2 A 23 CYS HB2 1.0 1.973 5.087 854 738 A 29 TRP HB3 A 23 CYS HB2 1.0 1.999 5.791 855 739 A 2 PRO HD3 A 1 PCA HB3 1.0 1.999 5.893 856 740 A 5 PRO HD2 A 5 PRO HB2 1.0 1.968 5.032 857 741 A 7 PRO HB3 A 7 PRO HD3 1.0 1.974 5.112 858 742 A 13 LEU HD2% A 12 ARG HD2 1.0 2.000 5.876 859 743 A 42 ALA HB% A 15 ASN HB3 1.0 1.998 6.248 860 744 A 41 CYS HB2 A 42 ALA HB% 1.0 2.000 5.884 861 745 A 28 TYR HB2 A 42 ALA HB% 1.0 1.999 5.813 862 746 A 9 ASP HB2 A 13 LEU HD2% 1.0 1.990 5.444 863 747 A 8 ILE HD1% A 5 PRO HB3 1.0 1.998 5.750 864 748 A 40 CYS HB3 A 30 ILE HD1% 1.0 1.997 5.699 865 749 A 30 ILE HG12 A 14 ARG HD2 1.0 1.994 5.572 866 750 A 43 ARG HA A 43 ARG HD2 1.0 1.972 5.086 867 751 A 9 ASP HB3 A 12 ARG HG2 1.0 1.999 5.885 868 752 A 43 ARG HB3 A 43 ARG HD2 1.0 1.940 4.670 869 753 A 28 TYR HB2 A 30 ILE HG2% 1.0 1.996 5.646 870 754 A 31 GLY HA2 A 40 CYS HB3 1.0 1.968 5.008 871 755 A 5 PRO HD3 A 5 PRO HB2 1.0 1.926 4.538 872 756 A 33 CYS HB3 A 40 CYS HB3 1.0 1.932 4.596 873 757 A 33 CYS HB2 A 40 CYS HB2 1.0 1.953 4.811 874 758 A 34 ASN HB2 A 37 ILE HB 1.0 1.962 4.936 875 759 A 36 GLY HA3 A 36 GLY HA2 1.0 1.488 2.466 876 760 A 4 ILE HA A 5 PRO HD3 1.0 1.461 2.387 877 761 A 44 GLY HA2 A 42 ALA HB% 1.0 1.998 6.242 878 762 A 45 TRP HA A 45 TRP HD1 1.0 1.899 4.297 879 762 A 3 PHE HA A 3 PHE HD2 1.0 1.899 4.297 880 762 A 3 PHE HA A 3 PHE HD1 1.0 1.899 4.297 881 763 A 16 GLY H A 15 ASN HA 1.0 1.491 2.471 882 763 A 15 ASN H A 15 ASN HA 1.0 1.491 2.471 883 764 A 47 SER H A 47 SER HB2 1.0 1.870 4.086 884 764 A 47 SER H A 47 SER HB3 1.0 1.870 4.086 885 765 A 27 TYR HD1 A 26 PRO HD2 1.0 1.752 3.432 886 765 A 27 TYR HD2 A 26 PRO HD2 1.0 1.752 3.432 887 765 A 27 TYR HD1 A 26 PRO HD3 1.0 1.752 3.432 888 765 A 27 TYR HD2 A 26 PRO HD3 1.0 1.752 3.432 889 766 A 27 TYR HE1 A 26 PRO HD2 1.0 1.757 3.455 890 766 A 27 TYR HE2 A 26 PRO HD2 1.0 1.757 3.455 891 766 A 27 TYR HE1 A 26 PRO HD3 1.0 1.757 3.455 892 766 A 27 TYR HE2 A 26 PRO HD3 1.0 1.757 3.455 893 767 A 3 PHE HD2 A 6 ARG HD2 1.0 1.824 3.806 894 767 A 3 PHE HD1 A 6 ARG HD2 1.0 1.824 3.806 895 767 A 3 PHE HD2 A 6 ARG HD3 1.0 1.824 3.806 896 767 A 3 PHE HD1 A 6 ARG HD3 1.0 1.824 3.806 897 768 A 12 ARG H A 11 CYS HB2 1.0 1.724 3.304 898 768 A 12 ARG H A 11 CYS HB3 1.0 1.724 3.304 899 769 A 11 CYS H A 11 CYS HB3 1.0 1.629 2.927 900 769 A 11 CYS H A 11 CYS HB2 1.0 1.629 2.927 901 770 A 35 ASN H A 34 ASN HB2 1.0 1.904 4.348 902 770 A 35 ASN H A 35 ASN HB3 1.0 1.904 4.348 903 771 A 8 ILE H A 46 ARG HD3 1.0 1.798 3.660 904 771 A 8 ILE H A 46 ARG HD2 1.0 1.798 3.660 905 772 A 28 TYR H A 28 TYR HB2 1.0 1.818 3.772 906 772 A 28 TYR H A 41 CYS HB2 1.0 1.818 3.772 907 773 A 18 CYS H A 18 CYS HB2 1.0 1.580 2.752 908 773 A 18 CYS H A 18 CYS HB3 1.0 1.580 2.752 909 774 A 34 ASN HD21 A 37 ILE HB 1.0 1.677 3.107 910 774 A 37 ILE H A 37 ILE HB 1.0 1.677 3.107 911 775 A 6 ARG H A 6 ARG HB2 1.0 1.813 3.739 912 775 A 6 ARG H A 6 ARG HB3 1.0 1.813 3.739 913 776 A 12 ARG H A 12 ARG HB2 1.0 1.584 2.768 914 776 A 12 ARG H A 12 ARG HB3 1.0 1.584 2.768 915 777 A 24 ARG H A 24 ARG HB3 1.0 1.849 3.953 916 777 A 24 ARG H A 24 ARG HB2 1.0 1.849 3.953 917 778 A 27 TYR H A 25 ARG HB3 1.0 1.927 4.541 918 778 A 27 TYR H A 25 ARG HB2 1.0 1.927 4.541 919 779 A 14 ARG H A 14 ARG HG2 1.0 1.773 3.529 920 779 A 14 ARG H A 14 ARG HG3 1.0 1.773 3.529 921 780 A 6 ARG H A 6 ARG HG3 1.0 1.686 3.146 922 780 A 6 ARG H A 6 ARG HG2 1.0 1.686 3.146 923 781 A 13 LEU H A 13 LEU HB2 1.0 1.722 3.292 924 781 A 13 LEU H A 13 LEU HG 1.0 1.722 3.292 925 782 A 24 ARG H A 24 ARG HG3 1.0 1.630 2.930 926 782 A 24 ARG H A 24 ARG HG2 1.0 1.630 2.930 927 783 A 46 ARG H A 46 ARG HG2 1.0 1.902 4.324 928 783 A 46 ARG H A 46 ARG HG3 1.0 1.902 4.324 929 784 A 8 ILE H A 46 ARG HG3 1.0 1.913 4.421 930 784 A 8 ILE H A 46 ARG HG2 1.0 1.913 4.421 931 785 A 44 GLY H A 43 ARG HG3 1.0 1.902 4.326 932 785 A 44 GLY H A 42 ALA HB% 1.0 1.902 4.326 933 786 A 27 TYR HD2 A 43 ARG HG3 1.0 1.811 3.731 934 786 A 27 TYR HD1 A 43 ARG HG3 1.0 1.811 3.731 935 786 A 27 TYR HD2 A 42 ALA HB% 1.0 1.811 3.731 936 786 A 27 TYR HD1 A 42 ALA HB% 1.0 1.811 3.731 937 787 A 17 ILE H A 17 ILE HG12 1.0 1.897 4.285 938 787 A 17 ILE H A 17 ILE HG13 1.0 1.897 4.285 939 788 A 18 CYS HA A 18 CYS HB2 1.0 1.606 2.844 940 788 A 18 CYS HA A 18 CYS HB3 1.0 1.606 2.844 941 789 A 20 PRO HD2 A 20 PRO HB2 1.0 1.854 3.986 942 789 A 20 PRO HD2 A 20 PRO HB3 1.0 1.854 3.986 943 790 A 26 PRO HG3 A 26 PRO HD3 1.0 1.753 3.437 944 790 A 26 PRO HG3 A 26 PRO HD2 1.0 1.753 3.437 945 791 A 20 PRO HD3 A 20 PRO HG3 1.0 1.608 2.850 946 791 A 20 PRO HD3 A 20 PRO HG2 1.0 1.608 2.850 947 792 A 20 PRO HD2 A 20 PRO HG3 1.0 1.595 2.807 948 792 A 20 PRO HD2 A 20 PRO HG2 1.0 1.595 2.807 949 793 A 14 ARG HB2 A 14 ARG HD3 1.0 1.838 3.884 950 793 A 14 ARG HB2 A 14 ARG HD2 1.0 1.838 3.884 951 794 A 7 PRO HD3 A 7 PRO HG3 1.0 1.733 3.345 952 794 A 7 PRO HD3 A 7 PRO HG2 1.0 1.733 3.345 953 795 A 2 PRO HD2 A 2 PRO HG2 1.0 1.787 3.603 954 795 A 2 PRO HD2 A 2 PRO HG3 1.0 1.787 3.603 955 796 A 12 ARG HD3 A 12 ARG HB2 1.0 1.862 4.036 956 796 A 12 ARG HD3 A 12 ARG HB3 1.0 1.862 4.036 957 797 A 24 ARG HB3 A 24 ARG HA 1.0 1.873 4.113 958 797 A 24 ARG HB2 A 24 ARG HA 1.0 1.873 4.113 959 798 A 12 ARG HA A 12 ARG HB2 1.0 1.586 2.772 960 798 A 12 ARG HA A 12 ARG HB3 1.0 1.586 2.772 961 799 A 12 ARG HD2 A 12 ARG HB2 1.0 1.802 3.680 962 799 A 12 ARG HD2 A 12 ARG HB3 1.0 1.802 3.680 963 800 A 24 ARG HB3 A 24 ARG HD3 1.0 1.794 3.642 964 800 A 24 ARG HB2 A 24 ARG HD2 1.0 1.794 3.642 965 800 A 24 ARG HB3 A 24 ARG HD2 1.0 1.794 3.642 966 800 A 24 ARG HB2 A 24 ARG HD3 1.0 1.794 3.642 967 801 A 26 PRO HA A 25 ARG HB3 1.0 1.625 2.911 968 801 A 26 PRO HA A 25 ARG HB2 1.0 1.625 2.911 969 802 A 14 ARG HA A 14 ARG HG2 1.0 1.823 3.799 970 802 A 14 ARG HA A 14 ARG HG3 1.0 1.823 3.799 971 803 A 25 ARG HA A 25 ARG HB3 1.0 1.577 2.743 972 803 A 25 ARG HA A 25 ARG HB2 1.0 1.577 2.743 973 804 A 25 ARG HB3 A 25 ARG HD2 1.0 1.615 2.873 974 804 A 25 ARG HB2 A 25 ARG HD2 1.0 1.615 2.873 975 804 A 25 ARG HB3 A 25 ARG HD3 1.0 1.615 2.873 976 804 A 25 ARG HB2 A 25 ARG HD3 1.0 1.615 2.873 977 805 A 46 ARG HB3 A 46 ARG HD2 1.0 1.918 4.462 978 805 A 46 ARG HB3 A 46 ARG HD3 1.0 1.918 4.462 979 806 A 6 ARG HA A 6 ARG HG2 1.0 1.892 4.252 980 806 A 6 ARG HA A 6 ARG HG3 1.0 1.892 4.252 981 807 A 7 PRO HD3 A 6 ARG HG3 1.0 1.932 4.592 982 807 A 7 PRO HD3 A 6 ARG HG2 1.0 1.932 4.592 983 808 A 6 ARG HD2 A 6 ARG HG2 1.0 1.728 3.322 984 808 A 6 ARG HD2 A 6 ARG HG3 1.0 1.728 3.322 985 808 A 6 ARG HD3 A 6 ARG HG3 1.0 1.728 3.322 986 808 A 6 ARG HD3 A 6 ARG HG2 1.0 1.728 3.322 987 809 A 24 ARG HG2 A 24 ARG HD3 1.0 1.623 2.903 988 809 A 24 ARG HG3 A 24 ARG HD3 1.0 1.623 2.903 989 809 A 24 ARG HG3 A 24 ARG HD2 1.0 1.623 2.903 990 809 A 24 ARG HG2 A 24 ARG HD2 1.0 1.623 2.903 991 810 A 24 ARG HG3 A 24 ARG HA 1.0 1.805 3.693 992 810 A 24 ARG HG2 A 24 ARG HA 1.0 1.805 3.693 993 811 A 23 CYS HA A 24 ARG HG2 1.0 1.863 4.047 994 811 A 23 CYS HA A 24 ARG HG3 1.0 1.863 4.047 995 812 A 14 ARG HB3 A 14 ARG HD3 1.0 1.665 3.061 996 812 A 14 ARG HB3 A 14 ARG HD2 1.0 1.665 3.061 997 813 A 26 PRO HA A 25 ARG HG3 1.0 1.866 4.066 998 813 A 26 PRO HA A 25 ARG HG2 1.0 1.866 4.066 999 814 A 46 ARG HA A 46 ARG HG3 1.0 1.858 4.014 1000 814 A 46 ARG HA A 46 ARG HG2 1.0 1.858 4.014 1001 815 A 46 ARG HD2 A 46 ARG HG3 1.0 1.687 3.149 1002 815 A 46 ARG HD2 A 46 ARG HG2 1.0 1.687 3.149 1003 815 A 46 ARG HD3 A 46 ARG HG3 1.0 1.687 3.149 1004 815 A 46 ARG HD3 A 46 ARG HG2 1.0 1.687 3.149 1005 816 A 26 PRO HG2 A 26 PRO HD3 1.0 1.661 3.047 1006 816 A 26 PRO HG2 A 26 PRO HD2 1.0 1.661 3.047 1007 817 A 17 ILE HA A 17 ILE HG12 1.0 1.844 3.922 1008 817 A 17 ILE HA A 17 ILE HG13 1.0 1.844 3.922 1009 818 A 25 ARG HA A 25 ARG HD3 1.0 1.835 3.871 1010 818 A 25 ARG HA A 25 ARG HD2 1.0 1.835 3.871 1011 819 A 29 TRP HZ3 A 29 TRP HH2 1.0 1.458 2.378 1012 819 A 45 TRP HZ3 A 45 TRP HH2 1.0 1.458 2.378 1013 820 A 19 PHE H A 20 PRO HD2 1.0 1.968 5.026 1014 820 A 19 PHE H A 38 GLY HA3 1.0 1.968 5.026 1015 821 A 3 PHE H A 2 PRO HG2 1.0 1.999 5.807 1016 821 A 3 PHE H A 2 PRO HG3 1.0 1.999 5.807 1017 821 A 3 PHE H A 1 PCA HB2 1.0 1.999 5.807 1018 822 A 40 CYS H A 30 ILE HG13 1.0 1.974 5.102 1019 822 A 40 CYS H A 30 ILE HG12 1.0 1.974 5.102 1020 823 A 27 TYR H A 25 ARG HG3 1.0 1.991 5.481 1021 823 A 27 TYR H A 25 ARG HG2 1.0 1.991 5.481 1022 824 A 41 CYS H A 17 ILE HG12 1.0 1.998 6.276 1023 824 A 41 CYS H A 17 ILE HG13 1.0 1.998 6.276 1024 825 A 41 CYS H A 30 ILE HG13 1.0 2.000 6.012 1025 825 A 41 CYS H A 30 ILE HG12 1.0 2.000 6.012 1026 826 A 14 ARG H A 13 LEU HD1% 1.0 1.968 5.016 1027 826 A 14 ARG H A 13 LEU HD2% 1.0 1.968 5.016 1028 827 A 28 TYR HD2 A 30 ILE HG13 1.0 1.997 5.705 1029 827 A 28 TYR HD1 A 30 ILE HG13 1.0 1.997 5.705 1030 827 A 28 TYR HD2 A 30 ILE HG12 1.0 1.997 5.705 1031 827 A 28 TYR HD1 A 30 ILE HG12 1.0 1.997 5.705 1032 828 A 27 TYR HA A 42 ALA HB% 1.0 1.995 5.579 1033 828 A 27 TYR HA A 43 ARG HG3 1.0 1.995 5.579 1034 829 A 18 CYS HA A 20 PRO HD2 1.0 2.000 5.940 1035 829 A 18 CYS HA A 38 GLY HA3 1.0 2.000 5.940 1036 830 A 15 ASN HA A 15 ASN HD22 1.0 1.986 5.342 1037 830 A 34 ASN HA A 34 ASN HD22 1.0 1.986 5.342 1038 831 A 7 PRO HA A 47 SER HB3 1.0 1.960 4.910 1039 831 A 7 PRO HA A 47 SER HB2 1.0 1.960 4.910 1040 832 A 25 ARG HA A 26 PRO HD3 1.0 1.976 5.148 1041 832 A 25 ARG HA A 26 PRO HD2 1.0 1.976 5.148 1042 833 A 26 PRO HA A 26 PRO HD2 1.0 1.922 4.498 1043 833 A 26 PRO HA A 26 PRO HD3 1.0 1.922 4.498 1044 834 A 40 CYS HB3 A 30 ILE HG13 1.0 1.814 3.750 1045 834 A 40 CYS HB3 A 30 ILE HG12 1.0 1.814 3.750 1046 835 A 30 ILE HB A 30 ILE HG12 1.0 1.722 3.296 1047 835 A 30 ILE HG13 A 30 ILE HB 1.0 1.722 3.296 1048 836 A 13 LEU HG A 13 LEU HD1% 1.0 1.586 2.776 1049 836 A 13 LEU HB2 A 13 LEU HD1% 1.0 1.586 2.776 1050 836 A 13 LEU HD2% A 13 LEU HG 1.0 1.586 2.776 1051 837 A 4 ILE HG2% A 6 ARG HG2 1.0 1.774 3.534 1052 837 A 4 ILE HG2% A 6 ARG HG3 1.0 1.774 3.534 1053 838 A 24 ARG HB3 A 24 ARG HG2 1.0 1.372 2.146 1054 838 A 24 ARG HB3 A 24 ARG HG3 1.0 1.372 2.146 1055 838 A 24 ARG HB2 A 24 ARG HG2 1.0 1.372 2.146 1056 838 A 24 ARG HB2 A 24 ARG HG3 1.0 1.372 2.146 1057 839 A 1 PCA HB2 A 1 PCA HG2 1.0 1.701 3.207 1058 839 A 1 PCA HB2 A 1 PCA HG3 1.0 1.701 3.207 1059 840 A 5 PRO HB2 A 5 PRO HG2 1.0 1.820 3.784 1060 840 A 5 PRO HB2 A 5 PRO HG3 1.0 1.820 3.784 1061 841 A 20 PRO HB3 A 20 PRO HG2 1.0 1.332 2.046 1062 841 A 20 PRO HB3 A 20 PRO HG3 1.0 1.332 2.046 1063 841 A 20 PRO HB2 A 20 PRO HG3 1.0 1.332 2.046 1064 841 A 20 PRO HB2 A 20 PRO HG2 1.0 1.332 2.046 1065 842 A 20 PRO HD2 A 18 CYS HB2 1.0 1.961 4.923 1066 842 A 20 PRO HD2 A 18 CYS HB3 1.0 1.961 4.923 1067 843 A 33 CYS HB3 A 18 CYS HB3 1.0 1.954 4.832 1068 843 A 33 CYS HB3 A 18 CYS HB2 1.0 1.954 4.832 1069 844 A 14 ARG HE A 14 ARG HG2 1.0 1.995 5.597 1070 844 A 14 ARG HE A 14 ARG HG3 1.0 1.995 5.597 1071 845 A 19 PHE HE2 A 24 ARG HG3 1.0 1.992 6.484 1072 845 A 19 PHE HE1 A 24 ARG HG3 1.0 1.992 6.484 1073 845 A 19 PHE HE2 A 24 ARG HG2 1.0 1.992 6.484 1074 845 A 19 PHE HE1 A 24 ARG HG2 1.0 1.992 6.484 1075 846 A 27 TYR HD2 A 24 ARG HG3 1.0 1.983 5.283 1076 846 A 27 TYR HD1 A 24 ARG HG3 1.0 1.983 5.283 1077 846 A 27 TYR HD1 A 25 ARG HG3 1.0 1.983 5.283 1078 846 A 27 TYR HD2 A 25 ARG HG3 1.0 1.983 5.283 1079 847 A 8 ILE H A 47 SER HB3 1.0 1.958 4.886 1080 847 A 8 ILE H A 47 SER HB2 1.0 1.958 4.886 1081 848 A 33 CYS H A 20 PRO HA 1.0 1.995 5.599 1082 848 A 20 PRO HA A 22 ILE H 1.0 1.995 5.599 1083 849 A 21 GLY H A 20 PRO HB3 1.0 1.982 5.260 1084 849 A 21 GLY H A 20 PRO HB2 1.0 1.982 5.260 1085 850 A 19 PHE H A 20 PRO HG3 1.0 1.992 6.516 1086 850 A 19 PHE H A 20 PRO HG2 1.0 1.992 6.516 1087 851 A 45 TRP HE1 A 47 SER HB2 1.0 1.996 6.380 1088 851 A 45 TRP HE1 A 47 SER HB3 1.0 1.996 6.380 1089 852 A 27 TYR H A 24 ARG HA 1.0 1.997 6.331 1090 852 A 27 TYR H A 45 TRP HA 1.0 1.997 6.331 1091 853 A 34 ASN H A 20 PRO HB2 1.0 1.989 6.619 1092 853 A 34 ASN H A 20 PRO HB3 1.0 1.989 6.619 1093 854 A 33 CYS H A 34 ASN H 1.0 1.999 5.933 1094 854 A 34 ASN H A 36 GLY H 1.0 1.999 5.933 1095 855 A 34 ASN H A 18 CYS HB2 1.0 1.978 6.876 1096 855 A 34 ASN H A 18 CYS HB3 1.0 1.978 6.876 1097 856 A 18 CYS H A 17 ILE HG13 1.0 1.977 5.149 1098 856 A 18 CYS H A 17 ILE HG12 1.0 1.977 5.149 1099 857 A 11 CYS H A 12 ARG HB2 1.0 1.973 5.109 1100 857 A 11 CYS H A 12 ARG HB3 1.0 1.973 5.109 1101 858 A 10 THR H A 12 ARG HB2 1.0 1.949 4.777 1102 858 A 10 THR H A 12 ARG HB3 1.0 1.949 4.777 1103 859 A 9 ASP H A 46 ARG HG3 1.0 1.994 6.452 1104 859 A 9 ASP H A 46 ARG HG2 1.0 1.994 6.452 1105 860 A 6 ARG H A 8 ILE HG12 1.0 1.993 5.525 1106 860 A 9 ASP H A 8 ILE HG12 1.0 1.993 5.525 1107 861 A 6 ARG H A 6 ARG HD3 1.0 2.000 6.020 1108 861 A 6 ARG H A 6 ARG HD2 1.0 2.000 6.020 1109 862 A 13 LEU H A 11 CYS HB2 1.0 1.999 5.789 1110 862 A 13 LEU H A 11 CYS HB3 1.0 1.999 5.789 1111 863 A 47 SER H A 46 ARG HG2 1.0 1.993 5.533 1112 863 A 47 SER H A 46 ARG HG3 1.0 1.993 5.533 1113 864 A 47 SER H A 46 ARG HD3 1.0 1.957 7.223 1114 864 A 47 SER H A 46 ARG HD2 1.0 1.957 7.223 1115 865 A 33 CYS H A 18 CYS HB3 1.0 2.000 6.072 1116 865 A 33 CYS H A 18 CYS HB2 1.0 2.000 6.072 1117 866 A 45 TRP HE3 A 25 ARG HB2 1.0 1.999 6.177 1118 866 A 45 TRP HE3 A 25 ARG HB3 1.0 1.999 6.177 1119 867 A 3 PHE HZ A 5 PRO HG2 1.0 1.997 6.287 1120 867 A 3 PHE HZ A 5 PRO HG3 1.0 1.997 6.287 1121 868 A 12 ARG HE A 12 ARG HB3 1.0 1.999 6.165 1122 868 A 12 ARG HE A 12 ARG HB2 1.0 1.999 6.165 1123 869 A 14 ARG H A 14 ARG HD2 1.0 1.950 4.778 1124 869 A 14 ARG H A 14 ARG HD3 1.0 1.950 4.778 1125 870 A 19 PHE HD2 A 17 ILE HG12 1.0 2.000 5.980 1126 870 A 19 PHE HD1 A 17 ILE HG12 1.0 2.000 5.980 1127 870 A 19 PHE HD1 A 17 ILE HG13 1.0 2.000 5.980 1128 870 A 19 PHE HD2 A 17 ILE HG13 1.0 2.000 5.980 1129 871 A 19 PHE HD1 A 24 ARG HG2 1.0 2.000 6.034 1130 871 A 19 PHE HD2 A 24 ARG HG2 1.0 2.000 6.034 1131 871 A 19 PHE HD1 A 24 ARG HG3 1.0 2.000 6.034 1132 871 A 19 PHE HD2 A 24 ARG HG3 1.0 2.000 6.034 1133 872 A 19 PHE HD2 A 20 PRO HG2 1.0 1.958 4.882 1134 872 A 19 PHE HD1 A 20 PRO HG2 1.0 1.958 4.882 1135 872 A 19 PHE HD1 A 20 PRO HG3 1.0 1.958 4.882 1136 872 A 19 PHE HD2 A 20 PRO HG3 1.0 1.958 4.882 1137 873 A 42 ALA HB% A 45 TRP HZ3 1.0 1.987 6.641 1138 873 A 42 ALA HB% A 46 ARG HE 1.0 1.987 6.641 1139 874 A 27 TYR HD2 A 25 ARG HB3 1.0 1.983 6.755 1140 874 A 27 TYR HD1 A 25 ARG HB3 1.0 1.983 6.755 1141 874 A 27 TYR HD1 A 25 ARG HB2 1.0 1.983 6.755 1142 874 A 27 TYR HD2 A 25 ARG HB2 1.0 1.983 6.755 1143 875 A 27 TYR HE2 A 24 ARG HG2 1.0 1.992 6.530 1144 875 A 27 TYR HE1 A 24 ARG HG2 1.0 1.992 6.530 1145 875 A 27 TYR HE1 A 24 ARG HG3 1.0 1.992 6.530 1146 875 A 27 TYR HE2 A 24 ARG HG3 1.0 1.992 6.530 1147 876 A 19 PHE HE2 A 17 ILE HG12 1.0 1.977 5.157 1148 876 A 19 PHE HE1 A 17 ILE HG12 1.0 1.977 5.157 1149 876 A 19 PHE HE2 A 17 ILE HG13 1.0 1.977 5.157 1150 876 A 19 PHE HE1 A 17 ILE HG13 1.0 1.977 5.157 1151 877 A 28 TYR HE1 A 30 ILE HG12 1.0 1.986 6.690 1152 877 A 28 TYR HE2 A 30 ILE HG12 1.0 1.986 6.690 1153 877 A 28 TYR HE1 A 30 ILE HG13 1.0 1.986 6.690 1154 877 A 28 TYR HE2 A 30 ILE HG13 1.0 1.986 6.690 1155 878 A 28 TYR HE1 A 46 ARG HG3 1.0 1.983 6.767 1156 878 A 28 TYR HE2 A 46 ARG HG3 1.0 1.983 6.767 1157 878 A 28 TYR HE1 A 46 ARG HG2 1.0 1.983 6.767 1158 878 A 28 TYR HE2 A 46 ARG HG2 1.0 1.983 6.767 1159 879 A 19 PHE HZ A 17 ILE HG13 1.0 1.994 6.470 1160 879 A 19 PHE HZ A 17 ILE HG12 1.0 1.994 6.470 1161 880 A 17 ILE HG2% A 17 ILE HG13 1.0 1.709 3.239 1162 880 A 17 ILE HG2% A 17 ILE HG12 1.0 1.709 3.239 1163 881 A 16 GLY HA3 A 30 ILE HG12 1.0 1.991 5.475 1164 881 A 16 GLY HA3 A 30 ILE HG13 1.0 1.991 5.475 1165 882 A 30 ILE HD1% A 14 ARG HD2 1.0 1.800 3.672 1166 882 A 30 ILE HD1% A 14 ARG HD3 1.0 1.800 3.672 1167 883 A 30 ILE HG12 A 14 ARG HD2 1.0 1.980 5.216 1168 883 A 30 ILE HG12 A 14 ARG HD3 1.0 1.980 5.216 1169 883 A 30 ILE HG13 A 14 ARG HD2 1.0 1.980 5.216 1170 884 A 30 ILE HA A 30 ILE HG13 1.0 1.981 5.229 1171 884 A 30 ILE HA A 30 ILE HG12 1.0 1.981 5.229 1172 885 A 30 ILE HD1% A 14 ARG HG3 1.0 1.979 5.195 1173 885 A 30 ILE HD1% A 14 ARG HG2 1.0 1.979 5.195 1174 886 A 30 ILE HD1% A 30 ILE HG12 1.0 1.317 2.007 1175 886 A 30 ILE HD1% A 30 ILE HG13 1.0 1.317 2.007 1176 887 A 17 ILE HG2% A 18 CYS HB2 1.0 1.962 4.938 1177 887 A 17 ILE HG2% A 18 CYS HB3 1.0 1.962 4.938 1178 888 A 5 PRO HA A 5 PRO HG3 1.0 1.982 5.260 1179 888 A 5 PRO HA A 5 PRO HG2 1.0 1.982 5.260 1180 889 A 7 PRO HD2 A 6 ARG HG3 1.0 1.976 5.144 1181 889 A 7 PRO HD2 A 6 ARG HG2 1.0 1.976 5.144 1182 890 A 31 GLY HA2 A 30 ILE HG13 1.0 1.990 5.442 1183 890 A 31 GLY HA2 A 30 ILE HG12 1.0 1.990 5.442 1184 891 A 41 CYS HB2 A 30 ILE HG12 1.0 1.994 5.566 1185 891 A 41 CYS HB2 A 30 ILE HG13 1.0 1.994 5.566 1186 892 A 42 ALA HB% A 14 ARG HG3 1.0 1.990 5.446 1187 892 A 42 ALA HB% A 14 ARG HG2 1.0 1.990 5.446 1188 893 A 4 ILE HG12 A 6 ARG HG3 1.0 1.980 5.210 1189 893 A 4 ILE HG12 A 6 ARG HG2 1.0 1.980 5.210 1190 894 A 30 ILE HG2% A 30 ILE HG13 1.0 1.694 3.174 1191 894 A 30 ILE HG2% A 30 ILE HG12 1.0 1.694 3.174 1192 895 A 42 ALA HB% A 30 ILE HG12 1.0 1.832 3.848 1193 895 A 42 ALA HB% A 30 ILE HG13 1.0 1.832 3.848 1194 896 A 33 CYS HB2 A 18 CYS HB2 1.0 1.899 4.301 1195 896 A 33 CYS HB2 A 18 CYS HB3 1.0 1.899 4.301 1196 897 A 4 ILE HG2% A 6 ARG HD2 1.0 1.999 5.847 1197 897 A 4 ILE HG2% A 6 ARG HD3 1.0 1.999 5.847 1198 898 A 30 ILE HG2% A 11 CYS HB3 1.0 1.987 5.375 1199 898 A 30 ILE HG2% A 11 CYS HB2 1.0 1.987 5.375 1200 899 A 42 ALA HB% A 14 ARG HD2 1.0 1.999 6.135 1201 899 A 42 ALA HB% A 14 ARG HD3 1.0 1.999 6.135 1202 900 A 20 PRO HA A 20 PRO HG3 1.0 2.000 5.940 1203 900 A 20 PRO HA A 20 PRO HG2 1.0 2.000 5.940 1204 901 A 47 SER HA A 47 SER HB3 1.0 1.642 2.972 1205 901 A 47 SER HA A 47 SER HB2 1.0 1.642 2.972 1206 902 A 9 ASP HB3 A 12 ARG HB2 1.0 1.896 4.278 1207 902 A 9 ASP HB3 A 12 ARG HB3 1.0 1.896 4.278 1208 903 A 20 PRO HD3 A 20 PRO HB3 1.0 1.891 4.241 1209 903 A 20 PRO HD3 A 20 PRO HB2 1.0 1.891 4.241 1210 904 A 26 PRO HB3 A 26 PRO HD3 1.0 1.905 4.351 1211 904 A 26 PRO HB3 A 26 PRO HD2 1.0 1.905 4.351 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 17 ILE H A 41 CYS O 1.0 1.730 2.700 2 2 A 41 CYS H A 17 ILE O 1.0 1.730 2.700 3 3 A 39 SER H A 19 PHE O 1.0 1.730 2.700 4 4 A 19 PHE H A 39 SER O 1.0 1.730 2.700 5 5 A 41 CYS O A 17 ILE N 1.0 2.516 3.927 6 6 A 19 PHE O A 39 SER N 1.0 2.516 3.927 7 7 A 39 SER O A 19 PHE N 1.0 2.516 3.927 8 8 A 17 ILE O A 41 CYS N 1.0 2.516 3.927 9 9 A 33 CYS H A 38 GLY O 1.0 1.730 2.700 10 10 A 40 CYS H A 31 GLY O 1.0 1.730 2.700 11 11 A 38 GLY O A 33 CYS N 1.0 2.516 3.927 12 12 A 38 GLY N A 33 CYS O 1.0 2.516 3.927 13 13 A 31 GLY O A 40 CYS N 1.0 2.516 3.927 14 14 A 31 GLY N A 40 CYS O 1.0 2.516 3.927 15 15 A 43 ARG H A 16 GLY O 1.0 1.730 2.700 16 16 A 16 GLY O A 43 ARG N 1.0 2.516 3.927 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 PRO C A 3 PHE N A 3 PHE CA A 3 PHE C 1.0 -150.0 -66.98 PHI 2 2 A 3 PHE N A 3 PHE CA A 3 PHE C A 4 ILE N 1.0 90.0 164.60 PSI 3 3 A 3 PHE C A 4 ILE N A 4 ILE CA A 4 ILE C 1.0 -160.0 -57.98 PHI 4 4 A 4 ILE N A 4 ILE CA A 4 ILE C A 5 PRO N 1.0 90.0 168.24 PSI 5 5 A 4 ILE C A 5 PRO N A 5 PRO CA A 5 PRO C 1.0 -120.0 -26.02 PHI 6 6 A 5 PRO N A 5 PRO CA A 5 PRO C A 6 ARG N 1.0 110.0 194.18 PSI 7 7 A 5 PRO C A 6 ARG N A 6 ARG CA A 6 ARG C 1.0 -140.0 -10.22 PHI 8 8 A 6 ARG N A 6 ARG CA A 6 ARG C A 7 PRO N 1.0 90.0 199.70 PSI 9 9 A 6 ARG C A 7 PRO N A 7 PRO CA A 7 PRO C 1.0 -90.0 -39.36 PHI 10 10 A 7 PRO N A 7 PRO CA A 7 PRO C A 8 ILE N 1.0 120.0 175.28 PSI 11 11 A 7 PRO C A 8 ILE N A 8 ILE CA A 8 ILE C 1.0 -170.0 -61.60 PHI 12 12 A 8 ILE N A 8 ILE CA A 8 ILE C A 9 ASP N 1.0 100.0 167.42 PSI 13 13 A 8 ILE C A 9 ASP N A 9 ASP CA A 9 ASP C 1.0 -130.0 -31.00 PHI 14 14 A 9 ASP N A 9 ASP CA A 9 ASP C A 10 THR N 1.0 100.0 163.30 PSI 15 15 A 9 ASP C A 10 THR N A 10 THR CA A 10 THR C 1.0 -130.0 -11.44 PHI 16 16 A 10 THR N A 10 THR CA A 10 THR C A 11 CYS N 1.0 90.0 178.14 PSI 17 17 A 10 THR C A 11 CYS N A 11 CYS CA A 11 CYS C 1.0 -130.0 -23.82 PHI 18 18 A 11 CYS N A 11 CYS CA A 11 CYS C A 12 ARG N 1.0 -60.0 21.76 PSI 19 19 A 11 CYS C A 12 ARG N A 12 ARG CA A 12 ARG C 1.0 -120.0 -33.74 PHI 20 20 A 12 ARG N A 12 ARG CA A 12 ARG C A 13 LEU N 1.0 -40.0 18.52 PSI 21 21 A 12 ARG C A 13 LEU N A 13 LEU CA A 13 LEU C 1.0 -180.0 10.44 PHI 22 22 A 13 LEU N A 13 LEU CA A 13 LEU C A 14 ARG N 1.0 100.0 189.68 PSI 23 23 A 13 LEU C A 14 ARG N A 14 ARG CA A 14 ARG C 1.0 -180.0 -48.30 PHI 24 24 A 14 ARG N A 14 ARG CA A 14 ARG C A 15 ASN N 1.0 110.0 188.40 PSI 25 25 A 14 ARG C A 15 ASN N A 15 ASN CA A 15 ASN C 1.0 40.0 70.00 PHI 26 26 A 15 ASN N A 15 ASN CA A 15 ASN C A 16 GLY N 1.0 20.0 68.94 PSI 27 27 A 15 ASN C A 16 GLY N A 16 GLY CA A 16 GLY C 1.0 -130.0 -53.00 PHI 28 28 A 16 GLY N A 16 GLY CA A 16 GLY C A 17 ILE N 1.0 -40.0 27.62 PSI 29 29 A 16 GLY C A 17 ILE N A 17 ILE CA A 17 ILE C 1.0 -160.0 -88.52 PHI 30 30 A 17 ILE N A 17 ILE CA A 17 ILE C A 18 CYS N 1.0 100.0 169.62 PSI 31 31 A 17 ILE C A 18 CYS N A 18 CYS CA A 18 CYS C 1.0 -140.0 -69.70 PHI 32 32 A 18 CYS N A 18 CYS CA A 18 CYS C A 19 PHE N 1.0 100.0 144.20 PSI 33 33 A 18 CYS C A 19 PHE N A 19 PHE CA A 19 PHE C 1.0 -160.0 -33.76 PHI 34 34 A 19 PHE N A 19 PHE CA A 19 PHE C A 20 PRO N 1.0 90.0 181.24 PSI 35 35 A 19 PHE C A 20 PRO N A 20 PRO CA A 20 PRO C 1.0 -140.0 0.64 PHI 36 36 A 20 PRO N A 20 PRO CA A 20 PRO C A 21 GLY N 1.0 100.0 190.98 PSI 37 37 A 21 GLY C A 22 ILE N A 22 ILE CA A 22 ILE C 1.0 -160.0 -78.02 PHI 38 38 A 22 ILE N A 22 ILE CA A 22 ILE C A 23 CYS N 1.0 100.0 178.28 PSI 39 39 A 22 ILE C A 23 CYS N A 23 CYS CA A 23 CYS C 1.0 -140.0 -11.40 PHI 40 40 A 23 CYS N A 23 CYS CA A 23 CYS C A 24 ARG N 1.0 90.0 173.30 PSI 41 41 A 23 CYS C A 24 ARG N A 24 ARG CA A 24 ARG C 1.0 -180.0 30.80 PHI 42 42 A 24 ARG N A 24 ARG CA A 24 ARG C A 25 ARG N 1.0 -30.0 10.00 PSI 43 43 A 24 ARG C A 25 ARG N A 25 ARG CA A 25 ARG C 1.0 -180.0 -48.06 PHI 44 44 A 25 ARG N A 25 ARG CA A 25 ARG C A 26 PRO N 1.0 90.0 202.16 PSI 45 45 A 25 ARG C A 26 PRO N A 26 PRO CA A 26 PRO C 1.0 -120.0 -11.06 PHI 46 46 A 26 PRO N A 26 PRO CA A 26 PRO C A 27 TYR N 1.0 110.0 180.10 PSI 47 47 A 26 PRO C A 27 TYR N A 27 TYR CA A 27 TYR C 1.0 -160.0 -64.78 PHI 48 48 A 27 TYR N A 27 TYR CA A 27 TYR C A 28 TYR N 1.0 100.0 177.60 PSI 49 49 A 27 TYR C A 28 TYR N A 28 TYR CA A 28 TYR C 1.0 -160.0 -109.46 PHI 50 50 A 28 TYR N A 28 TYR CA A 28 TYR C A 29 TRP N 1.0 130.0 196.70 PSI 51 51 A 28 TYR C A 29 TRP N A 29 TRP CA A 29 TRP C 1.0 -140.0 -68.86 PHI 52 52 A 29 TRP N A 29 TRP CA A 29 TRP C A 30 ILE N 1.0 100.0 150.30 PSI 53 53 A 29 TRP C A 30 ILE N A 30 ILE CA A 30 ILE C 1.0 -120.0 -28.36 PHI 54 54 A 30 ILE N A 30 ILE CA A 30 ILE C A 31 GLY N 1.0 100.0 177.66 PSI 55 55 A 31 GLY C A 32 THR N A 32 THR CA A 32 THR C 1.0 -170.0 -98.24 PHI 56 56 A 32 THR N A 32 THR CA A 32 THR C A 33 CYS N 1.0 110.0 199.92 PSI 57 57 A 32 THR C A 33 CYS N A 33 CYS CA A 33 CYS C 1.0 -160.0 -91.38 PHI 58 58 A 33 CYS N A 33 CYS CA A 33 CYS C A 34 ASN N 1.0 110.0 181.18 PSI 59 59 A 38 GLY C A 39 SER N A 39 SER CA A 39 SER C 1.0 -150.0 -73.84 PHI 60 60 A 39 SER N A 39 SER CA A 39 SER C A 40 CYS N 1.0 100.0 183.64 PSI 61 61 A 39 SER C A 40 CYS N A 40 CYS CA A 40 CYS C 1.0 -160.0 -30.62 PHI 62 62 A 40 CYS N A 40 CYS CA A 40 CYS C A 41 CYS N 1.0 80.0 180.70 PSI 63 63 A 40 CYS C A 41 CYS N A 41 CYS CA A 41 CYS C 1.0 -160.0 -55.40 PHI 64 64 A 41 CYS N A 41 CYS CA A 41 CYS C A 42 ALA N 1.0 90.0 193.12 PSI 65 65 A 41 CYS C A 42 ALA N A 42 ALA CA A 42 ALA C 1.0 -160.0 -62.08 PHI 66 66 A 42 ALA N A 42 ALA CA A 42 ALA C A 43 ARG N 1.0 100.0 167.66 PSI 67 67 A 42 ALA C A 43 ARG N A 43 ARG CA A 43 ARG C 1.0 -150.0 -8.82 PHI 68 68 A 43 ARG N A 43 ARG CA A 43 ARG C A 44 GLY N 1.0 90.0 191.48 PSI 69 69 A 44 GLY C A 45 TRP N A 45 TRP CA A 45 TRP C 1.0 -170.0 20.28 PHI 70 70 A 45 TRP N A 45 TRP CA A 45 TRP C A 46 ARG N 1.0 120.0 190.20 PSI stop_ save_