data_nef_c34082_5msl 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 5MSL 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 9 CYS SG 2 1 ZN ZN 1 12 CYS SG 2 1 ZN ZN 1 57 CYS SG 2 1 ZN ZN 1 60 CYS SG 2 1 ZN ZN 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 GLN start . . 2 A 0 SER middle . . 3 A 1 MET middle . . 4 A 2 ALA middle . . 5 A 3 LEU middle . . 6 A 4 HIS middle . . 7 A 5 TYR middle . . 8 A 6 TYR middle . . 9 A 7 CYS middle -HG . 10 A 8 ARG middle . . 11 A 9 HIS middle . . 12 A 10 CYS middle -HG . 13 A 11 GLY middle . false 14 A 12 VAL middle . . 15 A 13 LYS middle . . 16 A 14 VAL middle . . 17 A 15 GLY middle . false 18 A 16 SER middle . . 19 A 17 LEU middle . . 20 A 18 GLU middle . . 21 A 19 SER middle . . 22 A 20 SER middle . . 23 A 21 MET middle . . 24 A 22 VAL middle . . 25 A 23 SER middle . . 26 A 24 THR middle . . 27 A 25 ASP middle . . 28 A 26 SER middle . . 29 A 27 LEU middle . . 30 A 28 GLY middle . false 31 A 29 PHE middle . . 32 A 30 GLN middle . . 33 A 31 HIS middle . . 34 A 32 LEU middle . . 35 A 33 THR middle . . 36 A 34 ASN middle . . 37 A 35 GLU middle . . 38 A 36 GLU middle . . 39 A 37 ARG middle . . 40 A 38 ASN middle . . 41 A 39 ASP middle . . 42 A 40 MET middle . . 43 A 41 ILE middle . . 44 A 42 SER middle . . 45 A 43 TYR middle . . 46 A 44 LYS middle . . 47 A 45 GLU middle . . 48 A 46 ASN middle . . 49 A 47 GLY middle . false 50 A 48 ASP middle . . 51 A 49 VAL middle . . 52 A 50 HIS middle . . 53 A 51 VAL middle . . 54 A 52 LEU middle . . 55 A 53 THR middle . . 56 A 54 ILE middle . . 57 A 55 CYS middle -HG . 58 A 56 GLU middle . . 59 A 57 ASP middle . . 60 A 58 CYS middle -HG . 61 A 59 GLN middle . . 62 A 60 GLU middle . . 63 A 61 ALA middle . . 64 A 62 LEU middle . . 65 A 63 ASP middle . . 66 A 64 ARG middle . . 67 A 65 ASN middle . . 68 A 66 PRO middle . false 69 A 67 HIS middle . . 70 A 68 TYR middle . . 71 A 69 HIS middle . . 72 A 70 GLU middle . . 73 A 71 TYR middle . . 74 A 72 HIS middle . . 75 A 73 THR end . . 76 B 1 ZN . . . 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 0 SER HA H 1 4.183 0.000 A 0 SER HBx H 1 3.989 0.000 A 0 SER CA C 13 57.848 0.000 A 0 SER CB C 13 63.475 0.000 A 1 MET HA H 1 4.563 0.006 A 1 MET HBy H 1 2.100 0.031 A 1 MET HBx H 1 2.006 0.008 A 1 MET HGy H 1 2.587 0.001 A 1 MET HGx H 1 2.533 0.007 A 1 MET C C 13 175.649 0.000 A 1 MET CA C 13 55.803 0.022 A 1 MET CB C 13 33.678 0.080 A 1 MET CG C 13 32.341 0.003 A 2 ALA H H 1 8.403 0.003 A 2 ALA HA H 1 4.499 0.012 A 2 ALA HB% H 1 1.255 0.008 A 2 ALA C C 13 175.650 0.000 A 2 ALA CA C 13 51.806 0.059 A 2 ALA CB C 13 20.231 0.152 A 2 ALA N N 15 126.900 0.039 A 3 LEU H H 1 8.121 0.008 A 3 LEU HA H 1 4.649 0.010 A 3 LEU HBy H 1 1.490 0.005 A 3 LEU HBx H 1 1.191 0.007 A 3 LEU HDx% H 1 0.782 0.005 A 3 LEU HDy% H 1 0.675 0.005 A 3 LEU HG H 1 1.437 0.012 A 3 LEU C C 13 175.549 0.000 A 3 LEU CA C 13 54.369 0.136 A 3 LEU CB C 13 43.727 0.100 A 3 LEU CDy C 13 25.555 0.004 A 3 LEU CDx C 13 24.697 0.127 A 3 LEU CG C 13 27.913 0.001 A 3 LEU N N 15 122.198 0.030 A 4 HIS H H 1 8.432 0.003 A 4 HIS HA H 1 4.883 0.014 A 4 HIS HBy H 1 2.958 0.005 A 4 HIS HBx H 1 2.796 0.005 A 4 HIS HD2 H 1 7.031 0.002 A 4 HIS C C 13 173.328 0.000 A 4 HIS CA C 13 54.624 0.014 A 4 HIS CB C 13 33.046 0.085 A 4 HIS CD2 C 13 119.824 0.000 A 4 HIS N N 15 121.263 0.085 A 5 TYR H H 1 8.714 0.005 A 5 TYR HA H 1 5.333 0.018 A 5 TYR HBy H 1 2.785 0.019 A 5 TYR HBx H 1 2.586 0.003 A 5 TYR HDx H 1 6.832 0.006 A 5 TYR HDy H 1 6.832 0.006 A 5 TYR HEx H 1 6.671 0.003 A 5 TYR HEy H 1 6.671 0.003 A 5 TYR C C 13 175.456 0.000 A 5 TYR CA C 13 56.930 0.085 A 5 TYR CB C 13 40.495 0.032 A 5 TYR CDx C 13 133.132 0.000 A 5 TYR CDy C 13 133.132 0.000 A 5 TYR CEx C 13 118.227 0.055 A 5 TYR CEy C 13 118.227 0.055 A 5 TYR N N 15 122.659 0.024 A 6 TYR H H 1 8.882 0.006 A 6 TYR HA H 1 5.197 0.007 A 6 TYR HBy H 1 2.625 0.018 A 6 TYR HBx H 1 2.445 0.006 A 6 TYR HDx H 1 6.839 0.004 A 6 TYR HDy H 1 6.839 0.004 A 6 TYR HEx H 1 6.376 0.013 A 6 TYR HEy H 1 6.376 0.013 A 6 TYR C C 13 174.689 0.000 A 6 TYR CA C 13 56.379 0.050 A 6 TYR CB C 13 42.943 0.029 A 6 TYR CDx C 13 133.112 0.051 A 6 TYR CDy C 13 133.112 0.051 A 6 TYR CEx C 13 117.700 0.033 A 6 TYR CEy C 13 117.700 0.033 A 6 TYR N N 15 121.233 0.041 A 7 CYS H H 1 9.175 0.006 A 7 CYS HA H 1 4.316 0.010 A 7 CYS HBy H 1 3.518 0.017 A 7 CYS HBx H 1 2.690 0.009 A 7 CYS C C 13 178.079 0.000 A 7 CYS CA C 13 59.266 0.063 A 7 CYS CB C 13 31.773 0.052 A 7 CYS N N 15 123.906 0.035 A 8 ARG H H 1 9.583 0.008 A 8 ARG HA H 1 4.237 0.004 A 8 ARG HBy H 1 2.024 0.007 A 8 ARG HBx H 1 1.739 0.013 A 8 ARG HDx H 1 3.099 0.010 A 8 ARG HE H 1 7.114 0.010 A 8 ARG HGy H 1 1.642 0.010 A 8 ARG HGx H 1 1.087 0.021 A 8 ARG C C 13 175.053 0.000 A 8 ARG CA C 13 57.769 0.097 A 8 ARG CB C 13 30.919 0.121 A 8 ARG CD C 13 43.625 0.011 A 8 ARG CG C 13 26.306 0.014 A 8 ARG N N 15 130.859 0.077 A 8 ARG NE N 15 84.037 0.000 A 9 HIS H H 1 9.236 0.007 A 9 HIS HA H 1 4.862 0.007 A 9 HIS HBy H 1 3.539 0.008 A 9 HIS HBx H 1 3.450 0.016 A 9 HIS C C 13 176.112 0.000 A 9 HIS CA C 13 58.156 0.031 A 9 HIS CB C 13 31.165 0.090 A 9 HIS N N 15 122.251 0.102 A 10 CYS H H 1 8.514 0.006 A 10 CYS HA H 1 4.959 0.008 A 10 CYS HBy H 1 3.249 0.005 A 10 CYS HBx H 1 2.620 0.008 A 10 CYS C C 13 177.328 0.000 A 10 CYS CA C 13 59.402 0.052 A 10 CYS CB C 13 32.615 0.119 A 10 CYS N N 15 119.159 0.038 A 11 GLY H H 1 7.772 0.005 A 11 GLY HAy H 1 4.251 0.004 A 11 GLY HAx H 1 3.993 0.006 A 11 GLY CA C 13 46.381 0.042 A 11 GLY N N 15 113.037 0.050 A 12 VAL H H 1 8.324 0.004 A 12 VAL HA H 1 4.206 0.009 A 12 VAL HB H 1 2.394 0.003 A 12 VAL HGx% H 1 1.114 0.007 A 12 VAL HGy% H 1 0.990 0.005 A 12 VAL C C 13 174.551 0.000 A 12 VAL CA C 13 62.901 0.019 A 12 VAL CB C 13 32.934 0.055 A 12 VAL CGy C 13 21.607 0.046 A 12 VAL CGx C 13 21.571 0.077 A 12 VAL N N 15 122.406 0.018 A 13 LYS H H 1 8.310 0.003 A 13 LYS HA H 1 3.995 0.005 A 13 LYS HBy H 1 1.680 0.005 A 13 LYS HBx H 1 1.483 0.007 A 13 LYS HDx H 1 1.475 0.005 A 13 LYS HEx H 1 2.969 0.000 A 13 LYS HGy H 1 0.987 0.010 A 13 LYS HGx H 1 0.894 0.007 A 13 LYS C C 13 176.705 0.000 A 13 LYS CA C 13 57.029 0.010 A 13 LYS CB C 13 32.478 0.073 A 13 LYS CD C 13 29.386 0.011 A 13 LYS CE C 13 42.212 0.000 A 13 LYS CG C 13 25.073 0.007 A 13 LYS N N 15 125.383 0.020 A 14 VAL H H 1 8.607 0.012 A 14 VAL HA H 1 4.051 0.004 A 14 VAL HB H 1 1.672 0.010 A 14 VAL HGx% H 1 0.851 0.005 A 14 VAL HGy% H 1 0.685 0.005 A 14 VAL CA C 13 62.348 0.094 A 14 VAL CB C 13 33.152 0.126 A 14 VAL CGx C 13 21.494 0.008 A 14 VAL CGy C 13 21.506 0.010 A 14 VAL N N 15 128.848 0.129 A 15 GLY H H 1 7.968 0.007 A 15 GLY HAx H 1 4.043 0.006 A 15 GLY C C 13 172.718 0.000 A 15 GLY CA C 13 45.755 0.062 A 15 GLY N N 15 110.204 0.065 A 16 SER H H 1 8.315 0.004 A 16 SER HA H 1 4.864 0.005 A 16 SER HBy H 1 3.789 0.009 A 16 SER HBx H 1 3.716 0.008 A 16 SER C C 13 174.833 0.000 A 16 SER CA C 13 58.201 0.013 A 16 SER CB C 13 64.698 0.152 A 16 SER N N 15 115.481 0.031 A 17 LEU H H 1 8.425 0.007 A 17 LEU HA H 1 4.455 0.007 A 17 LEU HBy H 1 1.548 0.002 A 17 LEU HBx H 1 1.503 0.006 A 17 LEU HDx% H 1 0.794 0.006 A 17 LEU HDy% H 1 0.795 0.006 A 17 LEU HG H 1 1.501 0.006 A 17 LEU C C 13 176.386 0.000 A 17 LEU CA C 13 55.221 0.034 A 17 LEU CB C 13 43.561 0.031 A 17 LEU CDy C 13 25.013 0.000 A 17 LEU CDx C 13 24.181 0.000 A 17 LEU CG C 13 27.628 0.000 A 17 LEU N N 15 124.471 0.102 A 18 GLU H H 1 8.414 0.005 A 18 GLU HA H 1 4.235 0.011 A 18 GLU HBy H 1 2.090 0.008 A 18 GLU HBx H 1 1.962 0.004 A 18 GLU HGx H 1 2.285 0.012 A 18 GLU C C 13 176.894 0.000 A 18 GLU CA C 13 57.004 0.018 A 18 GLU CB C 13 30.326 0.045 A 18 GLU N N 15 122.705 0.024 A 19 SER H H 1 8.382 0.005 A 19 SER HA H 1 4.436 0.013 A 19 SER HBy H 1 3.909 0.003 A 19 SER HBx H 1 3.823 0.005 A 19 SER C C 13 174.869 0.000 A 19 SER CA C 13 58.999 0.071 A 19 SER CB C 13 63.993 0.060 A 19 SER N N 15 117.149 0.028 A 20 SER H H 1 8.319 0.002 A 20 SER HA H 1 4.483 0.003 A 20 SER HBy H 1 3.945 0.001 A 20 SER HBx H 1 3.890 0.002 A 20 SER C C 13 174.636 0.000 A 20 SER CA C 13 58.910 0.064 A 20 SER CB C 13 63.958 0.054 A 20 SER N N 15 117.908 0.015 A 21 MET H H 1 8.223 0.004 A 21 MET HA H 1 4.542 0.005 A 21 MET HBy H 1 2.118 0.006 A 21 MET HBx H 1 2.019 0.002 A 21 MET HGy H 1 2.586 0.003 A 21 MET HGx H 1 2.512 0.003 A 21 MET C C 13 175.982 0.000 A 21 MET CA C 13 55.831 0.010 A 21 MET CB C 13 33.026 0.041 A 21 MET CG C 13 32.205 0.004 A 21 MET N N 15 121.913 0.038 A 22 VAL H H 1 7.966 0.009 A 22 VAL HA H 1 4.211 0.006 A 22 VAL HB H 1 2.085 0.007 A 22 VAL HGx% H 1 0.910 0.003 A 22 VAL HGy% H 1 0.909 0.003 A 22 VAL C C 13 175.860 0.000 A 22 VAL CA C 13 62.333 0.070 A 22 VAL CB C 13 33.026 0.067 A 22 VAL CGx C 13 20.754 0.000 A 22 VAL CGy C 13 21.401 0.000 A 22 VAL N N 15 120.562 0.013 A 23 SER H H 1 8.366 0.004 A 23 SER HA H 1 4.611 0.005 A 23 SER HBy H 1 3.944 0.003 A 23 SER HBx H 1 3.850 0.003 A 23 SER C C 13 175.152 0.000 A 23 SER CA C 13 58.101 0.047 A 23 SER CB C 13 64.267 0.063 A 23 SER N N 15 119.605 0.013 A 24 THR H H 1 8.331 0.006 A 24 THR HA H 1 4.247 0.002 A 24 THR HB H 1 4.253 0.003 A 24 THR HG2% H 1 1.175 0.004 A 24 THR CA C 13 62.840 0.009 A 24 THR CB C 13 69.377 0.079 A 24 THR CG2 C 13 21.724 0.000 A 24 THR N N 15 116.320 0.024 A 25 ASP H H 1 8.301 0.003 A 25 ASP HA H 1 4.572 0.034 A 25 ASP HBx H 1 2.717 0.020 A 25 ASP C C 13 177.002 0.000 A 25 ASP CA C 13 54.739 0.103 A 25 ASP CB C 13 41.170 0.009 A 25 ASP N N 15 122.507 0.026 A 26 SER H H 1 8.141 0.005 A 26 SER HA H 1 4.362 0.003 A 26 SER HBy H 1 3.939 0.002 A 26 SER HBx H 1 3.900 0.002 A 26 SER C C 13 175.059 0.000 A 26 SER CA C 13 59.371 0.036 A 26 SER CB C 13 63.871 0.021 A 26 SER N N 15 116.260 0.013 A 27 LEU H H 1 8.143 0.004 A 27 LEU HA H 1 4.265 0.004 A 27 LEU HBy H 1 1.678 0.010 A 27 LEU HBx H 1 1.507 0.004 A 27 LEU HDx% H 1 0.881 0.004 A 27 LEU HDy% H 1 0.825 0.003 A 27 LEU HG H 1 1.605 0.007 A 27 LEU C C 13 177.964 0.000 A 27 LEU CA C 13 55.885 0.063 A 27 LEU CB C 13 42.055 0.045 A 27 LEU CDx C 13 25.251 0.000 A 27 LEU CDy C 13 25.312 0.000 A 27 LEU CG C 13 27.201 0.000 A 27 LEU N N 15 123.490 0.030 A 28 GLY H H 1 8.214 0.006 A 28 GLY HAy H 1 3.914 0.005 A 28 GLY HAx H 1 3.823 0.004 A 28 GLY C C 13 174.615 0.000 A 28 GLY CA C 13 45.842 0.046 A 28 GLY N N 15 108.507 0.048 A 29 PHE H H 1 8.012 0.004 A 29 PHE HA H 1 4.541 0.009 A 29 PHE HBy H 1 3.114 0.005 A 29 PHE HBx H 1 3.038 0.003 A 29 PHE HDx H 1 7.185 0.014 A 29 PHE HDy H 1 7.185 0.014 A 29 PHE HEx H 1 7.270 0.002 A 29 PHE HEy H 1 7.270 0.002 A 29 PHE C C 13 175.286 0.000 A 29 PHE CA C 13 58.204 0.029 A 29 PHE CB C 13 39.341 0.018 A 29 PHE N N 15 120.296 0.136 A 30 GLN H H 1 8.386 0.005 A 30 GLN HA H 1 4.407 0.001 A 30 GLN HBy H 1 2.090 0.002 A 30 GLN HBx H 1 1.945 0.010 A 30 GLN HE21 H 1 7.473 0.004 A 30 GLN HE22 H 1 6.857 0.001 A 30 GLN HGx H 1 2.277 0.004 A 30 GLN C C 13 175.868 0.000 A 30 GLN CA C 13 56.886 0.057 A 30 GLN CB C 13 29.336 0.015 A 30 GLN CG C 13 36.429 0.000 A 30 GLN N N 15 120.942 0.102 A 30 GLN NE2 N 15 112.736 0.014 A 31 HIS H H 1 8.376 0.006 A 31 HIS HA H 1 4.464 0.005 A 31 HIS HBy H 1 3.108 0.006 A 31 HIS HBx H 1 2.961 0.009 A 31 HIS C C 13 174.779 0.000 A 31 HIS CA C 13 55.775 0.051 A 31 HIS CB C 13 29.446 0.026 A 31 HIS N N 15 118.880 0.089 A 32 LEU H H 1 8.022 0.016 A 32 LEU HA H 1 4.506 0.006 A 32 LEU HBy H 1 1.657 0.011 A 32 LEU HBx H 1 1.579 0.005 A 32 LEU HDx% H 1 0.846 0.011 A 32 LEU HDy% H 1 0.820 0.018 A 32 LEU HG H 1 1.576 0.004 A 32 LEU C C 13 177.842 0.000 A 32 LEU CA C 13 55.349 0.129 A 32 LEU CB C 13 42.887 0.030 A 32 LEU CDy C 13 25.717 0.000 A 32 LEU CDx C 13 25.029 0.000 A 32 LEU CG C 13 27.180 0.000 A 32 LEU N N 15 123.106 0.078 A 33 THR H H 1 8.475 0.004 A 33 THR HA H 1 4.393 0.007 A 33 THR HB H 1 4.435 0.002 A 33 THR HG2% H 1 1.242 0.009 A 33 THR C C 13 174.894 0.000 A 33 THR CA C 13 61.760 0.023 A 33 THR CB C 13 70.514 0.044 A 33 THR CG2 C 13 21.796 0.000 A 33 THR N N 15 114.484 0.052 A 34 ASN H H 1 8.685 0.004 A 34 ASN HA H 1 4.547 0.004 A 34 ASN HBx H 1 2.820 0.003 A 34 ASN HD21 H 1 7.672 0.002 A 34 ASN HD22 H 1 6.980 0.022 A 34 ASN C C 13 176.157 0.000 A 34 ASN CA C 13 54.746 0.057 A 34 ASN CB C 13 38.536 0.055 A 34 ASN N N 15 120.567 0.014 A 34 ASN ND2 N 15 113.765 0.008 A 35 GLU H H 1 8.476 0.006 A 35 GLU HA H 1 4.190 0.002 A 35 GLU HBx H 1 1.968 0.005 A 35 GLU HGx H 1 2.284 0.002 A 35 GLU C C 13 177.453 0.000 A 35 GLU CA C 13 58.201 0.024 A 35 GLU CB C 13 29.914 0.051 A 35 GLU N N 15 120.645 0.131 A 36 GLU H H 1 8.113 0.007 A 36 GLU HA H 1 4.189 0.007 A 36 GLU HBy H 1 2.072 0.023 A 36 GLU HBx H 1 2.040 0.010 A 36 GLU HGx H 1 2.299 0.009 A 36 GLU C C 13 177.645 0.000 A 36 GLU CA C 13 57.609 0.032 A 36 GLU CB C 13 30.281 0.074 A 36 GLU CG C 13 33.938 0.000 A 36 GLU N N 15 121.294 0.053 A 37 ARG H H 1 8.285 0.003 A 37 ARG HA H 1 4.178 0.005 A 37 ARG HBy H 1 1.885 0.002 A 37 ARG HBx H 1 1.806 0.005 A 37 ARG HDx H 1 3.172 0.004 A 37 ARG HE H 1 7.314 0.005 A 37 ARG HGy H 1 1.643 0.008 A 37 ARG HGx H 1 1.526 0.007 A 37 ARG C C 13 176.890 0.000 A 37 ARG CA C 13 57.516 0.050 A 37 ARG CB C 13 30.605 0.019 A 37 ARG CD C 13 43.517 0.000 A 37 ARG CG C 13 27.533 0.002 A 37 ARG N N 15 120.902 0.014 A 37 ARG NE N 15 85.320 0.000 A 38 ASN H H 1 8.286 0.006 A 38 ASN HA H 1 4.185 0.003 A 38 ASN HBx H 1 2.817 0.013 A 38 ASN HD21 H 1 7.643 0.002 A 38 ASN HD22 H 1 6.887 0.001 A 38 ASN C C 13 175.684 0.000 A 38 ASN CA C 13 54.141 0.031 A 38 ASN CB C 13 38.840 0.014 A 38 ASN N N 15 119.205 0.028 A 38 ASN ND2 N 15 113.449 0.002 A 39 ASP H H 1 8.175 0.010 A 39 ASP HA H 1 4.647 0.006 A 39 ASP HBx H 1 2.714 0.007 A 39 ASP C C 13 176.510 0.000 A 39 ASP CA C 13 55.128 0.054 A 39 ASP CB C 13 41.142 0.021 A 39 ASP N N 15 120.234 0.043 A 40 MET H H 1 8.096 0.010 A 40 MET HA H 1 4.502 0.005 A 40 MET HBx H 1 2.055 0.024 A 40 MET HGy H 1 2.593 0.022 A 40 MET HGx H 1 2.525 0.013 A 40 MET CA C 13 56.458 0.028 A 40 MET CB C 13 33.518 0.017 A 40 MET CG C 13 32.090 0.013 A 40 MET N N 15 119.256 0.049 A 41 ILE H H 1 7.985 0.005 A 41 ILE HA H 1 4.402 0.004 A 41 ILE HB H 1 1.805 0.004 A 41 ILE HD1% H 1 0.781 0.005 A 41 ILE HG1y H 1 1.442 0.004 A 41 ILE HG1x H 1 1.088 0.006 A 41 ILE HG2% H 1 0.697 0.010 A 41 ILE CA C 13 61.133 0.127 A 41 ILE CB C 13 39.345 0.047 A 41 ILE CD1 C 13 13.251 0.000 A 41 ILE CG1 C 13 27.701 0.010 A 41 ILE CG2 C 13 17.644 0.000 A 41 ILE N N 15 120.829 0.016 A 42 SER H H 1 8.438 0.009 A 42 SER HA H 1 4.661 0.003 A 42 SER HBx H 1 3.727 0.003 A 42 SER CA C 13 57.693 0.081 A 42 SER CB C 13 64.705 0.092 A 42 SER N N 15 119.972 0.050 A 43 TYR H H 1 8.430 0.008 A 43 TYR HA H 1 4.656 0.006 A 43 TYR HBy H 1 3.025 0.003 A 43 TYR HBx H 1 2.894 0.005 A 43 TYR HDx H 1 7.058 0.005 A 43 TYR HDy H 1 7.058 0.005 A 43 TYR HEx H 1 6.710 0.002 A 43 TYR HEy H 1 6.710 0.002 A 43 TYR CA C 13 58.169 0.005 A 43 TYR CB C 13 38.847 0.023 A 43 TYR N N 15 123.599 0.079 A 44 LYS H H 1 8.355 0.010 A 44 LYS HA H 1 4.424 0.008 A 44 LYS HBy H 1 1.817 0.007 A 44 LYS HBx H 1 1.774 0.007 A 44 LYS HDx H 1 1.476 0.005 A 44 LYS HEx H 1 2.751 0.001 A 44 LYS HGx H 1 1.171 0.008 A 44 LYS CA C 13 55.283 0.165 A 44 LYS CB C 13 33.017 0.075 A 44 LYS CD C 13 28.368 0.000 A 44 LYS CE C 13 41.955 0.000 A 44 LYS CG C 13 24.223 0.000 A 44 LYS N N 15 123.106 0.046 A 45 GLU H H 1 8.683 0.011 A 45 GLU HA H 1 4.178 0.008 A 45 GLU HBx H 1 1.988 0.005 A 45 GLU HGx H 1 2.289 0.004 A 45 GLU CA C 13 57.980 0.009 A 45 GLU CB C 13 30.019 0.005 A 45 GLU CG C 13 33.967 0.000 A 45 GLU N N 15 122.633 0.019 A 46 ASN H H 1 8.299 0.004 A 46 ASN HA H 1 4.638 0.007 A 46 ASN HBy H 1 2.976 0.009 A 46 ASN HBx H 1 2.874 0.005 A 46 ASN HD21 H 1 7.543 0.005 A 46 ASN HD22 H 1 6.815 0.011 A 46 ASN C C 13 178.057 0.000 A 46 ASN CA C 13 53.471 0.017 A 46 ASN CB C 13 38.432 0.126 A 46 ASN ND2 N 15 112.333 0.008 A 47 GLY H H 1 8.257 0.006 A 47 GLY HAy H 1 4.177 0.007 A 47 GLY HAx H 1 3.830 0.007 A 47 GLY CA C 13 45.397 0.082 A 47 GLY N N 15 109.135 0.019 A 48 ASP H H 1 7.988 0.004 A 48 ASP HA H 1 4.915 0.005 A 48 ASP HBy H 1 2.692 0.002 A 48 ASP HBx H 1 2.634 0.005 A 48 ASP CA C 13 54.298 0.075 A 48 ASP CB C 13 41.920 0.051 A 48 ASP N N 15 121.128 0.016 A 49 VAL H H 1 8.492 0.008 A 49 VAL HA H 1 4.319 0.010 A 49 VAL HB H 1 1.974 0.006 A 49 VAL HGx% H 1 0.867 0.001 A 49 VAL HGy% H 1 0.720 0.004 A 49 VAL C C 13 175.200 0.000 A 49 VAL CA C 13 62.268 0.032 A 49 VAL CB C 13 33.580 0.082 A 49 VAL CGx C 13 21.506 0.000 A 49 VAL CGy C 13 21.673 0.000 A 49 VAL N N 15 121.648 0.101 A 50 HIS H H 1 8.930 0.005 A 50 HIS HA H 1 5.394 0.015 A 50 HIS HBy H 1 3.009 0.012 A 50 HIS HBx H 1 2.870 0.006 A 50 HIS HD2 H 1 6.851 0.001 A 50 HIS CA C 13 54.119 0.064 A 50 HIS CB C 13 31.105 0.039 A 50 HIS CD2 C 13 118.175 0.000 A 50 HIS N N 15 126.270 0.084 A 51 VAL H H 1 8.930 0.009 A 51 VAL HA H 1 4.405 0.008 A 51 VAL HB H 1 1.548 0.004 A 51 VAL HGx% H 1 0.863 0.004 A 51 VAL HGy% H 1 0.632 0.031 A 51 VAL C C 13 175.226 0.000 A 51 VAL CA C 13 61.766 0.074 A 51 VAL CB C 13 33.343 0.080 A 51 VAL CGy C 13 21.914 0.000 A 51 VAL CGx C 13 21.407 0.000 A 51 VAL N N 15 125.073 0.072 A 52 LEU H H 1 8.636 0.008 A 52 LEU HA H 1 5.183 0.005 A 52 LEU HBy H 1 1.944 0.004 A 52 LEU HBx H 1 1.357 0.005 A 52 LEU HDx% H 1 0.911 0.027 A 52 LEU HDy% H 1 0.825 0.016 A 52 LEU HG H 1 1.734 0.006 A 52 LEU C C 13 176.660 0.000 A 52 LEU CA C 13 54.390 0.098 A 52 LEU CB C 13 43.055 0.063 A 52 LEU CDy C 13 25.559 0.000 A 52 LEU CDx C 13 23.352 0.000 A 52 LEU CG C 13 27.477 0.000 A 52 LEU N N 15 126.850 0.051 A 53 THR H H 1 8.775 0.005 A 53 THR HA H 1 4.307 0.005 A 53 THR HB H 1 4.153 0.008 A 53 THR HG2% H 1 1.040 0.011 A 53 THR C C 13 176.021 0.000 A 53 THR CA C 13 58.635 0.067 A 53 THR CB C 13 69.525 0.124 A 53 THR CG2 C 13 19.547 0.000 A 53 THR N N 15 119.732 0.074 A 54 ILE H H 1 8.593 0.005 A 54 ILE HA H 1 5.563 0.005 A 54 ILE HB H 1 1.807 0.018 A 54 ILE HD1% H 1 0.872 0.014 A 54 ILE HG1y H 1 1.744 0.019 A 54 ILE HG1x H 1 1.376 0.008 A 54 ILE HG2% H 1 1.007 0.006 A 54 ILE C C 13 175.046 0.000 A 54 ILE CA C 13 59.750 0.037 A 54 ILE CB C 13 41.434 0.026 A 54 ILE CD1 C 13 14.090 0.000 A 54 ILE CG1 C 13 28.714 0.020 A 54 ILE CG2 C 13 17.045 0.000 A 54 ILE N N 15 124.186 0.066 A 55 CYS H H 1 9.696 0.006 A 55 CYS HA H 1 4.783 0.023 A 55 CYS HBy H 1 3.533 0.009 A 55 CYS HBx H 1 3.479 0.005 A 55 CYS C C 13 175.156 0.000 A 55 CYS CA C 13 58.184 0.011 A 55 CYS CB C 13 31.638 0.168 A 55 CYS N N 15 129.612 0.092 A 56 GLU H H 1 8.940 0.006 A 56 GLU HA H 1 3.983 0.003 A 56 GLU HBx H 1 2.060 0.004 A 56 GLU HGx H 1 2.359 0.007 A 56 GLU C C 13 176.320 0.000 A 56 GLU CA C 13 59.969 0.027 A 56 GLU CB C 13 29.466 0.047 A 56 GLU CG C 13 36.367 0.000 A 56 GLU N N 15 119.723 0.062 A 57 ASP H H 1 8.044 0.004 A 57 ASP HA H 1 4.482 0.003 A 57 ASP HBy H 1 2.847 0.003 A 57 ASP HBx H 1 2.709 0.005 A 57 ASP C C 13 179.432 0.000 A 57 ASP CA C 13 58.093 0.079 A 57 ASP CB C 13 41.284 0.045 A 57 ASP N N 15 121.062 0.121 A 58 CYS H H 1 9.100 0.006 A 58 CYS HA H 1 3.977 0.005 A 58 CYS HBy H 1 3.068 0.009 A 58 CYS HBx H 1 2.779 0.008 A 58 CYS C C 13 176.264 0.000 A 58 CYS CA C 13 65.134 0.072 A 58 CYS CB C 13 28.716 0.025 A 58 CYS N N 15 125.853 0.057 A 59 GLN H H 1 8.461 0.008 A 59 GLN HA H 1 4.077 0.010 A 59 GLN HBx H 1 2.118 0.006 A 59 GLN HE21 H 1 7.481 0.004 A 59 GLN HE22 H 1 6.741 0.002 A 59 GLN HGx H 1 2.313 0.012 A 59 GLN C C 13 177.828 0.000 A 59 GLN CA C 13 58.875 0.090 A 59 GLN CB C 13 29.036 0.198 A 59 GLN CG C 13 36.209 0.000 A 59 GLN N N 15 120.845 0.022 A 59 GLN NE2 N 15 114.366 0.008 A 60 GLU H H 1 7.862 0.006 A 60 GLU HA H 1 3.873 0.004 A 60 GLU HBx H 1 2.119 0.007 A 60 GLU HGy H 1 2.450 0.004 A 60 GLU HGx H 1 2.301 0.012 A 60 GLU C C 13 178.294 0.000 A 60 GLU CA C 13 58.886 0.091 A 60 GLU CB C 13 29.206 0.106 A 60 GLU CG C 13 36.018 0.014 A 60 GLU N N 15 119.303 0.010 A 61 ALA H H 1 7.561 0.006 A 61 ALA HA H 1 4.052 0.006 A 61 ALA HB% H 1 1.317 0.008 A 61 ALA C C 13 180.026 0.000 A 61 ALA CA C 13 54.550 0.018 A 61 ALA CB C 13 18.264 0.022 A 61 ALA N N 15 121.449 0.011 A 62 LEU H H 1 7.919 0.004 A 62 LEU HA H 1 4.060 0.002 A 62 LEU HBy H 1 1.705 0.007 A 62 LEU HBx H 1 1.386 0.007 A 62 LEU HDx% H 1 0.689 0.003 A 62 LEU HDy% H 1 0.664 0.005 A 62 LEU HG H 1 1.600 0.005 A 62 LEU CA C 13 56.989 0.029 A 62 LEU CB C 13 41.896 0.104 A 62 LEU CDx C 13 23.312 0.000 A 62 LEU CDy C 13 25.078 0.000 A 62 LEU CG C 13 26.939 0.000 A 62 LEU N N 15 120.154 0.022 A 63 ASP H H 1 8.003 0.004 A 63 ASP HA H 1 4.467 0.006 A 63 ASP HBx H 1 2.714 0.005 A 63 ASP C C 13 177.264 0.000 A 63 ASP CA C 13 56.963 0.023 A 63 ASP CB C 13 40.774 0.025 A 63 ASP N N 15 119.593 0.011 A 64 ARG H H 1 7.706 0.004 A 64 ARG HA H 1 4.253 0.002 A 64 ARG HBy H 1 1.885 0.005 A 64 ARG HBx H 1 1.811 0.004 A 64 ARG HDx H 1 3.168 0.006 A 64 ARG HE H 1 7.314 0.012 A 64 ARG HGy H 1 1.721 0.005 A 64 ARG HGx H 1 1.635 0.006 A 64 ARG CA C 13 56.146 0.446 A 64 ARG CB C 13 30.717 0.063 A 64 ARG CD C 13 43.530 0.000 A 64 ARG CG C 13 27.400 0.011 A 64 ARG N N 15 118.857 0.016 A 64 ARG NE N 15 85.403 0.000 A 65 ASN H H 1 8.001 0.005 A 65 ASN HA H 1 4.976 0.005 A 65 ASN HBy H 1 2.910 0.003 A 65 ASN HBx H 1 2.766 0.009 A 65 ASN HD21 H 1 7.757 0.002 A 65 ASN HD22 H 1 7.048 0.006 A 65 ASN CA C 13 51.225 0.061 A 65 ASN CB C 13 39.258 0.058 A 65 ASN N N 15 119.604 0.057 A 65 ASN ND2 N 15 113.697 0.008 A 66 PRO HA H 1 4.401 0.004 A 66 PRO HBy H 1 2.234 0.004 A 66 PRO HBx H 1 1.662 0.010 A 66 PRO HDy H 1 3.754 0.004 A 66 PRO HDx H 1 3.729 0.006 A 66 PRO HGy H 1 1.993 0.005 A 66 PRO HGx H 1 1.780 0.009 A 66 PRO C C 13 176.923 0.000 A 66 PRO CA C 13 63.978 0.002 A 66 PRO CB C 13 32.103 0.122 A 66 PRO CD C 13 50.792 0.005 A 66 PRO CG C 13 27.178 0.005 A 67 HIS H H 1 8.305 0.006 A 67 HIS HA H 1 4.657 0.004 A 67 HIS HBy H 1 3.235 0.004 A 67 HIS HBx H 1 3.090 0.006 A 67 HIS HD2 H 1 7.224 0.001 A 67 HIS C C 13 174.651 0.000 A 67 HIS CA C 13 55.320 0.039 A 67 HIS CB C 13 28.875 0.063 A 67 HIS CD2 C 13 119.938 0.000 A 67 HIS N N 15 117.403 0.041 A 68 TYR H H 1 7.953 0.006 A 68 TYR HA H 1 4.398 0.003 A 68 TYR HBy H 1 3.016 0.003 A 68 TYR HBx H 1 2.926 0.007 A 68 TYR HDx H 1 6.973 0.003 A 68 TYR HDy H 1 6.973 0.003 A 68 TYR HEx H 1 6.742 0.002 A 68 TYR HEy H 1 6.742 0.002 A 68 TYR C C 13 175.890 0.000 A 68 TYR CA C 13 58.872 0.039 A 68 TYR CB C 13 38.838 0.009 A 68 TYR N N 15 121.970 0.019 A 69 HIS H H 1 8.312 0.003 A 69 HIS HA H 1 4.679 0.003 A 69 HIS HBy H 1 3.247 0.003 A 69 HIS HBx H 1 3.132 0.010 A 69 HIS C C 13 174.133 0.000 A 69 HIS CA C 13 55.745 0.034 A 69 HIS CB C 13 29.445 0.012 A 69 HIS N N 15 121.001 0.036 A 70 GLU H H 1 8.058 0.012 A 70 GLU HA H 1 4.169 0.005 A 70 GLU HBx H 1 1.894 0.011 A 70 GLU HGx H 1 2.139 0.007 A 70 GLU CA C 13 56.509 0.089 A 70 GLU CB C 13 30.337 0.058 A 70 GLU CG C 13 36.173 0.000 A 70 GLU N N 15 121.968 0.015 A 71 TYR H H 1 8.183 0.006 A 71 TYR HA H 1 4.552 0.002 A 71 TYR HBy H 1 2.965 0.004 A 71 TYR HBx H 1 2.893 0.006 A 71 TYR HDx H 1 7.064 0.007 A 71 TYR HDy H 1 7.064 0.007 A 71 TYR HEx H 1 6.751 0.003 A 71 TYR HEy H 1 6.751 0.003 A 71 TYR CA C 13 57.739 0.152 A 71 TYR CB C 13 38.902 0.057 A 71 TYR N N 15 121.921 0.033 A 72 HIS H H 1 8.187 0.004 A 72 HIS HA H 1 4.696 0.005 A 72 HIS HBy H 1 3.225 0.001 A 72 HIS HBx H 1 3.125 0.009 A 72 HIS C C 13 173.654 0.000 A 72 HIS CA C 13 55.292 0.068 A 72 HIS CB C 13 29.917 0.042 A 72 HIS N N 15 121.675 0.042 A 73 THR H H 1 7.980 0.005 A 73 THR HA H 1 4.114 0.000 A 73 THR HB H 1 4.288 0.000 A 73 THR HG2% H 1 1.175 0.004 A 73 THR CA C 13 63.544 0.050 A 73 THR CB C 13 70.543 0.062 A 73 THR CG2 C 13 22.061 0.000 A 73 THR N N 15 121.057 0.031 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 61 ALA H A 61 ALA HA 1.0 1.849 3.951 2 2 A 61 ALA H A 61 ALA HB% 1.0 1.773 3.529 3 3 A 61 ALA HA A 61 ALA HB% 1.0 1.699 3.195 4 4 A 2 ALA HA A 2 ALA HB% 1.0 1.755 3.443 5 5 A 2 ALA HB% A 2 ALA H 1.0 1.781 3.567 6 6 A 11 GLY H A 11 GLY HAy 1.0 1.861 4.029 7 7 A 11 GLY H A 11 GLY HAx 1.0 1.892 4.244 8 8 A 11 GLY HAy A 11 GLY HAx 1.0 1.840 3.896 9 9 A 47 GLY H A 47 GLY HAy 1.0 1.854 3.988 10 10 A 47 GLY H A 47 GLY HAx 1.0 1.787 3.605 11 11 A 47 GLY HAy A 47 GLY HAx 1.0 1.817 3.765 12 12 A 15 GLY H A 15 GLY HAy 1.0 1.802 3.678 13 13 A 28 GLY H A 28 GLY HAy 1.0 1.837 3.883 14 14 A 28 GLY H A 28 GLY HAx 1.0 1.810 3.726 15 15 A 73 THR H A 73 THR HG2% 1.0 1.982 5.248 16 16 A 33 THR HG2% A 33 THR HA 1.0 1.757 3.455 17 17 A 33 THR HG2% A 33 THR HB 1.0 1.753 3.437 18 18 A 24 THR HB A 24 THR HG2% 1.0 1.692 3.166 19 19 A 24 THR HG2% A 24 THR H 1.0 1.840 3.900 20 20 A 53 THR H A 53 THR HG2% 1.0 1.902 4.326 21 21 A 53 THR HG2% A 53 THR HB 1.0 1.801 3.675 22 22 A 54 ILE H A 54 ILE HA 1.0 1.988 5.398 23 23 A 14 VAL H A 14 VAL HGx% 1.0 1.905 4.357 24 24 A 54 ILE HA A 54 ILE HG1x 1.0 1.967 5.003 25 25 A 54 ILE HA A 54 ILE HB 1.0 1.925 4.521 26 26 A 54 ILE HA A 54 ILE HG2% 1.0 1.925 4.525 27 27 A 54 ILE HB A 54 ILE HD1% 1.0 1.810 3.724 28 28 A 54 ILE HB A 54 ILE HG2% 1.0 1.787 3.601 29 29 A 54 ILE H A 54 ILE HB 1.0 1.951 4.791 30 30 A 66 PRO HBx A 66 PRO HA 1.0 1.851 3.967 31 31 A 66 PRO HA A 66 PRO HBy 1.0 1.910 4.396 32 32 A 66 PRO HBx A 66 PRO HBy 1.0 1.666 3.064 33 33 A 66 PRO HGx A 66 PRO HGy 1.0 1.617 2.881 34 34 A 66 PRO HBy A 66 PRO HGx 1.0 1.791 3.623 35 35 A 41 ILE H A 41 ILE HB 1.0 1.837 3.879 36 36 A 41 ILE H A 41 ILE HG2% 1.0 1.924 4.510 37 37 A 41 ILE H A 41 ILE HG1y 1.0 1.981 5.231 38 38 A 41 ILE H A 41 ILE HG1x 1.0 1.951 4.793 39 39 A 41 ILE HG2% A 41 ILE HA 1.0 1.869 4.083 40 40 A 41 ILE HB A 41 ILE HG2% 1.0 1.784 3.588 41 41 A 41 ILE HB A 41 ILE HG1y 1.0 1.906 4.358 42 42 A 41 ILE HG1y A 41 ILE HG1x 1.0 1.683 3.135 43 43 A 41 ILE HB A 41 ILE HG1x 1.0 1.836 3.876 44 44 A 41 ILE HG2% A 41 ILE HG1y 1.0 1.845 3.927 45 45 A 58 CYS H A 58 CYS HA 1.0 1.910 4.390 46 46 A 58 CYS H A 58 CYS HBx 1.0 1.893 4.251 47 47 A 58 CYS H A 58 CYS HBy 1.0 1.927 4.543 48 48 A 58 CYS HA A 58 CYS HBx 1.0 1.930 4.570 49 49 A 58 CYS HA A 58 CYS HBy 1.0 1.868 4.082 50 50 A 58 CYS HBx A 58 CYS HBy 1.0 1.722 3.296 51 51 A 10 CYS HBx A 10 CYS HBy 1.0 1.749 3.417 52 52 A 10 CYS HBx A 10 CYS HA 1.0 1.890 4.238 53 53 A 7 CYS H A 7 CYS HA 1.0 1.964 4.964 54 54 A 7 CYS H A 7 CYS HBx 1.0 1.887 4.213 55 55 A 7 CYS H A 7 CYS HBy 1.0 1.891 4.241 56 56 A 7 CYS HBx A 7 CYS HBy 1.0 1.705 3.225 57 57 A 7 CYS HA A 7 CYS HBx 1.0 1.969 5.043 58 58 A 7 CYS HA A 7 CYS HBy 1.0 1.952 4.810 59 59 A 55 CYS H A 55 CYS HBx 1.0 1.960 4.900 60 60 A 55 CYS H A 55 CYS HA 1.0 1.983 5.285 61 61 A 29 PHE H A 29 PHE HBy 1.0 1.887 4.211 62 62 A 29 PHE H A 29 PHE HBx 1.0 1.911 4.405 63 63 A 29 PHE HA A 29 PHE HDx 1.0 1.888 4.216 64 63 A 29 PHE HDy A 29 PHE HA 1.0 1.888 4.216 65 64 A 29 PHE HBx A 29 PHE HDx 1.0 1.843 3.919 66 64 A 29 PHE HBx A 29 PHE HDy 1.0 1.843 3.919 67 65 A 29 PHE HBy A 29 PHE HDx 1.0 1.852 3.976 68 65 A 29 PHE HBy A 29 PHE HDy 1.0 1.852 3.976 69 66 A 29 PHE HBy A 29 PHE HA 1.0 1.924 4.516 70 67 A 29 PHE HBx A 29 PHE HA 1.0 1.903 4.333 71 68 A 29 PHE H A 29 PHE HDx 1.0 1.953 4.827 72 68 A 29 PHE H A 29 PHE HDy 1.0 1.953 4.827 73 69 A 29 PHE HDx A 29 PHE HEy 1.0 1.586 2.774 74 69 A 29 PHE HDx A 29 PHE HEx 1.0 1.586 2.774 75 69 A 29 PHE HDy A 29 PHE HEy 1.0 1.586 2.774 76 69 A 29 PHE HDy A 29 PHE HEx 1.0 1.586 2.774 77 70 A 43 TYR H A 43 TYR HA 1.0 1.700 3.204 78 71 A 42 SER H A 42 SER HBy 1.0 1.880 4.158 79 72 A 42 SER HBy A 42 SER HA 1.0 1.917 4.459 80 73 A 26 SER H A 26 SER HBy 1.0 1.882 4.176 81 74 A 26 SER H A 26 SER HBx 1.0 1.881 4.173 82 75 A 26 SER H A 26 SER HA 1.0 1.817 3.763 83 76 A 26 SER HBx A 26 SER HA 1.0 1.918 4.462 84 77 A 26 SER HBy A 26 SER HA 1.0 1.914 4.426 85 78 A 20 SER HBx A 20 SER HA 1.0 1.929 4.571 86 79 A 20 SER HA A 20 SER HBy 1.0 1.915 4.431 87 80 A 20 SER HBy A 20 SER H 1.0 1.886 4.206 88 81 A 20 SER HBx A 20 SER H 1.0 1.861 4.027 89 82 A 20 SER HA A 20 SER H 1.0 1.858 4.008 90 83 A 19 SER H A 19 SER HBx 1.0 1.898 4.292 91 84 A 19 SER HBy A 19 SER HA 1.0 1.946 4.732 92 85 A 19 SER HBx A 19 SER HA 1.0 1.923 4.507 93 86 A 16 SER H A 16 SER HBx 1.0 1.921 4.491 94 87 A 16 SER H A 16 SER HBy 1.0 1.940 4.672 95 88 A 16 SER H A 16 SER HA 1.0 1.936 4.626 96 89 A 23 SER H A 23 SER HBy 1.0 1.878 4.144 97 90 A 23 SER HBx A 23 SER HA 1.0 1.961 4.925 98 91 A 23 SER HBy A 23 SER HA 1.0 1.953 4.817 99 92 A 23 SER H A 23 SER HBx 1.0 1.888 4.224 100 93 A 62 LEU H A 62 LEU HG 1.0 1.859 4.015 101 94 A 62 LEU H A 62 LEU HBx 1.0 1.841 3.905 102 95 A 62 LEU H A 62 LEU HBy 1.0 1.905 4.353 103 96 A 62 LEU H A 62 LEU HA 1.0 1.812 3.734 104 97 A 62 LEU HBx A 62 LEU HA 1.0 1.866 4.062 105 98 A 62 LEU HG A 62 LEU HA 1.0 1.919 4.471 106 99 A 62 LEU HBy A 62 LEU HA 1.0 1.864 4.050 107 100 A 62 LEU HG A 62 LEU HBy 1.0 1.797 3.651 108 101 A 62 LEU HBx A 62 LEU HBy 1.0 1.628 2.922 109 102 A 62 LEU H A 62 LEU HDx% 1.0 1.924 4.516 110 103 A 62 LEU HBy A 62 LEU HDy% 1.0 1.784 3.588 111 104 A 62 LEU HG A 62 LEU HDy% 1.0 1.751 3.427 112 105 A 62 LEU HBx A 62 LEU HDy% 1.0 1.767 3.503 113 106 A 62 LEU H A 62 LEU HDy% 1.0 1.947 4.755 114 107 A 62 LEU HBx A 62 LEU HDx% 1.0 1.794 3.638 115 108 A 62 LEU HBy A 62 LEU HDx% 1.0 1.793 3.633 116 109 A 62 LEU HG A 62 LEU HDx% 1.0 1.746 3.404 117 110 A 3 LEU H A 3 LEU HA 1.0 1.833 3.855 118 111 A 3 LEU H A 3 LEU HBx 1.0 1.873 4.107 119 112 A 3 LEU H A 3 LEU HG 1.0 1.935 4.619 120 113 A 3 LEU HDx% A 3 LEU HBy 1.0 1.793 3.633 121 114 A 3 LEU HBy A 3 LEU HDy% 1.0 1.850 3.960 122 115 A 3 LEU HA A 3 LEU HDx% 1.0 1.949 4.779 123 116 A 3 LEU HA A 3 LEU HDy% 1.0 1.917 4.457 124 117 A 3 LEU H A 3 LEU HDx% 1.0 1.943 4.711 125 118 A 3 LEU H A 3 LEU HDy% 1.0 1.986 5.348 126 119 A 3 LEU H A 3 LEU HBy 1.0 1.920 4.480 127 120 A 3 LEU HA A 3 LEU HBx 1.0 1.945 4.729 128 121 A 3 LEU HA A 3 LEU HG 1.0 1.986 5.350 129 122 A 3 LEU HG A 3 LEU HDy% 1.0 1.802 3.676 130 123 A 3 LEU HG A 3 LEU HDx% 1.0 1.684 3.136 131 124 A 52 LEU HBy A 52 LEU HA 1.0 1.971 5.053 132 125 A 52 LEU HA A 52 LEU HDy% 1.0 1.848 3.946 133 126 A 52 LEU HBy A 52 LEU HBx 1.0 1.771 3.521 134 127 A 52 LEU HBy A 52 LEU HDy% 1.0 1.847 3.945 135 128 A 52 LEU HDy% A 52 LEU HG 1.0 1.739 3.369 136 129 A 52 LEU HDy% A 52 LEU H 1.0 1.896 4.280 137 130 A 52 LEU HBy A 52 LEU H 1.0 1.976 5.150 138 131 A 52 LEU HG A 52 LEU H 1.0 1.922 4.492 139 132 A 52 LEU HBx A 52 LEU H 1.0 1.924 4.512 140 133 A 52 LEU HA A 52 LEU H 1.0 1.988 5.390 141 134 A 32 LEU H A 32 LEU HBy 1.0 1.894 4.264 142 135 A 32 LEU HBx A 32 LEU HA 1.0 1.911 4.405 143 136 A 32 LEU HBy A 32 LEU HA 1.0 1.808 3.712 144 137 A 32 LEU HA A 32 LEU HDx% 1.0 1.890 4.236 145 138 A 32 LEU HDy% A 32 LEU HG 1.0 1.644 2.982 146 139 A 32 LEU HDx% A 32 LEU HG 1.0 1.644 2.980 147 140 A 32 LEU H A 32 LEU HDx% 1.0 1.951 4.797 148 141 A 27 LEU H A 27 LEU HA 1.0 1.872 4.106 149 142 A 27 LEU H A 27 LEU HBx 1.0 1.856 3.996 150 143 A 27 LEU H A 27 LEU HG 1.0 1.878 4.144 151 144 A 27 LEU HA A 27 LEU HDy% 1.0 1.774 3.536 152 145 A 27 LEU HA A 27 LEU HBy 1.0 1.872 4.106 153 146 A 27 LEU HA A 27 LEU HBx 1.0 1.882 4.176 154 147 A 27 LEU H A 27 LEU HDy% 1.0 1.963 4.949 155 148 A 27 LEU H A 27 LEU HDx% 1.0 1.978 5.186 156 149 A 27 LEU HG A 27 LEU HDy% 1.0 1.666 3.062 157 150 A 18 GLU H A 17 LEU HA 1.0 1.727 3.317 158 151 A 18 GLU H A 17 LEU HDx% 1.0 1.879 4.155 159 152 A 17 LEU HDy% A 17 LEU HG 1.0 1.631 2.935 160 153 A 17 LEU HA A 17 LEU HBy 1.0 1.826 3.816 161 154 A 17 LEU HA A 17 LEU HBx 1.0 1.898 4.292 162 155 A 12 VAL H A 12 VAL HB 1.0 1.797 3.653 163 156 A 12 VAL H A 12 VAL HGx% 1.0 1.778 3.558 164 157 A 12 VAL H A 12 VAL HGy% 1.0 1.797 3.655 165 158 A 12 VAL HB A 12 VAL HGx% 1.0 1.748 3.410 166 159 A 12 VAL HB A 12 VAL HGy% 1.0 1.750 3.422 167 160 A 12 VAL HGx% A 12 VAL HGy% 1.0 1.619 2.891 168 161 A 22 VAL H A 22 VAL HGx% 1.0 1.816 3.758 169 162 A 22 VAL H A 22 VAL HB 1.0 1.860 4.020 170 163 A 22 VAL H A 22 VAL HA 1.0 1.925 4.529 171 164 A 22 VAL HB A 22 VAL HA 1.0 1.789 3.611 172 165 A 22 VAL HA A 22 VAL HGy% 1.0 1.771 3.523 173 166 A 22 VAL HGx% A 22 VAL HB 1.0 1.657 3.027 174 167 A 22 VAL HGx% A 22 VAL HA 1.0 1.943 4.703 175 168 A 51 VAL H A 51 VAL HA 1.0 1.970 5.038 176 169 A 51 VAL HA A 51 VAL HGx% 1.0 1.856 3.996 177 170 A 51 VAL H A 51 VAL HB 1.0 1.951 4.799 178 171 A 51 VAL H A 51 VAL HGy% 1.0 1.932 4.596 179 172 A 51 VAL H A 51 VAL HGx% 1.0 1.921 4.489 180 173 A 51 VAL HB A 51 VAL HGy% 1.0 1.793 3.633 181 174 A 51 VAL HA A 51 VAL HGy% 1.0 1.871 4.097 182 175 A 51 VAL HGx% A 51 VAL HGy% 1.0 1.585 2.773 183 176 A 14 VAL H A 14 VAL HB 1.0 1.903 4.337 184 177 A 14 VAL HGx% A 14 VAL HB 1.0 1.661 3.047 185 178 A 14 VAL HGx% A 14 VAL HGy% 1.0 1.482 2.448 186 179 A 14 VAL HGx% A 14 VAL HA 1.0 1.822 3.792 187 180 A 14 VAL HGy% A 14 VAL HA 1.0 1.713 3.253 188 181 A 14 VAL HB A 14 VAL HA 1.0 1.872 4.104 189 182 A 14 VAL H A 14 VAL HGy% 1.0 1.877 4.135 190 183 A 49 VAL H A 49 VAL HA 1.0 1.962 4.940 191 184 A 49 VAL H A 49 VAL HB 1.0 1.790 3.616 192 185 A 49 VAL HB A 49 VAL HGx% 1.0 1.728 3.322 193 186 A 49 VAL HB A 49 VAL HGy% 1.0 1.769 3.511 194 187 A 49 VAL HA A 49 VAL HGx% 1.0 1.846 3.934 195 188 A 49 VAL HA A 49 VAL HGy% 1.0 1.888 4.222 196 189 A 49 VAL H A 49 VAL HGx% 1.0 1.879 4.153 197 190 A 48 ASP H A 48 ASP HBx 1.0 1.767 3.501 198 191 A 48 ASP H A 48 ASP HA 1.0 1.954 4.834 199 192 A 48 ASP HBx A 48 ASP HA 1.0 1.965 4.971 200 193 A 48 ASP HA A 48 ASP HBy 1.0 1.858 4.012 201 194 A 57 ASP H A 57 ASP HBx 1.0 1.856 3.994 202 195 A 57 ASP H A 57 ASP HA 1.0 1.785 3.589 203 196 A 57 ASP HBx A 57 ASP HA 1.0 1.888 4.214 204 197 A 6 TYR H A 6 TYR HA 1.0 1.941 4.679 205 198 A 6 TYR H A 6 TYR HBx 1.0 1.975 5.131 206 199 A 6 TYR H A 6 TYR HBy 1.0 1.993 5.539 207 200 A 6 TYR HBy A 6 TYR HDx 1.0 1.845 3.929 208 200 A 6 TYR HBy A 6 TYR HDy 1.0 1.845 3.929 209 201 A 6 TYR HBx A 6 TYR HDx 1.0 1.782 3.576 210 201 A 6 TYR HBx A 6 TYR HDy 1.0 1.782 3.576 211 202 A 6 TYR HDx A 6 TYR HEx 1.0 1.708 3.236 212 202 A 6 TYR HDx A 6 TYR HEy 1.0 1.708 3.236 213 202 A 6 TYR HDy A 6 TYR HEx 1.0 1.708 3.236 214 202 A 6 TYR HDy A 6 TYR HEy 1.0 1.708 3.236 215 203 A 6 TYR HA A 6 TYR HBy 1.0 1.924 4.514 216 204 A 5 TYR H A 5 TYR HBy 1.0 1.993 5.545 217 205 A 5 TYR HA A 5 TYR HDy 1.0 1.914 4.432 218 205 A 5 TYR HDx A 5 TYR HA 1.0 1.914 4.432 219 206 A 5 TYR HBy A 5 TYR HDy 1.0 1.812 3.738 220 206 A 5 TYR HBy A 5 TYR HDx 1.0 1.812 3.738 221 207 A 5 TYR HDy A 5 TYR HBx 1.0 1.828 3.822 222 207 A 5 TYR HDx A 5 TYR HBx 1.0 1.828 3.822 223 208 A 5 TYR HDy A 5 TYR HEy 1.0 1.608 2.850 224 208 A 5 TYR HDy A 5 TYR HEx 1.0 1.608 2.850 225 208 A 5 TYR HDx A 5 TYR HEx 1.0 1.608 2.850 226 208 A 5 TYR HDx A 5 TYR HEy 1.0 1.608 2.850 227 209 A 5 TYR H A 5 TYR HDy 1.0 1.932 4.596 228 209 A 5 TYR H A 5 TYR HDx 1.0 1.932 4.596 229 210 A 65 ASN H A 65 ASN HBx 1.0 1.892 4.256 230 211 A 65 ASN H A 65 ASN HBy 1.0 1.847 3.941 231 212 A 65 ASN H A 65 ASN HA 1.0 1.904 4.344 232 213 A 65 ASN HBx A 65 ASN HA 1.0 1.957 4.869 233 214 A 65 ASN HBy A 65 ASN HA 1.0 1.918 4.458 234 215 A 65 ASN HBx A 65 ASN HD21 1.0 1.944 4.712 235 216 A 65 ASN HD21 A 65 ASN HD22 1.0 1.561 2.689 236 217 A 65 ASN HBy A 65 ASN HD21 1.0 1.905 4.349 237 218 A 50 HIS H A 50 HIS HBx 1.0 1.945 4.733 238 219 A 50 HIS H A 50 HIS HBy 1.0 1.959 4.897 239 220 A 51 VAL H A 50 HIS HA 1.0 1.871 4.093 240 221 A 46 ASN H A 46 ASN HA 1.0 1.759 3.465 241 222 A 46 ASN H A 46 ASN HBy 1.0 1.964 4.952 242 223 A 46 ASN HA A 46 ASN HBx 1.0 1.879 4.155 243 224 A 46 ASN HBx A 46 ASN HD21 1.0 1.934 4.612 244 225 A 46 ASN HBy A 46 ASN HD21 1.0 1.940 4.674 245 226 A 46 ASN HD21 A 46 ASN HD22 1.0 1.595 2.803 246 227 A 60 GLU H A 60 GLU HBy 1.0 1.711 3.247 247 228 A 60 GLU H A 60 GLU HGx 1.0 1.980 5.226 248 229 A 60 GLU H A 60 GLU HA 1.0 1.973 5.097 249 230 A 60 GLU HBy A 60 GLU HGy 1.0 1.594 2.802 250 231 A 60 GLU HGx A 60 GLU HGy 1.0 1.573 2.733 251 232 A 60 GLU HA A 60 GLU HGy 1.0 1.954 4.830 252 233 A 60 GLU HBy A 60 GLU HA 1.0 1.828 3.824 253 234 A 60 GLU HGx A 60 GLU HA 1.0 1.933 4.601 254 235 A 60 GLU H A 60 GLU HGy 1.0 1.914 4.424 255 236 A 56 GLU H A 56 GLU HBy 1.0 1.775 3.541 256 237 A 56 GLU H A 56 GLU HGy 1.0 1.924 4.518 257 238 A 56 GLU H A 56 GLU HA 1.0 1.879 4.157 258 239 A 56 GLU HBy A 56 GLU HGy 1.0 1.645 2.985 259 240 A 56 GLU HBy A 56 GLU HA 1.0 1.756 3.448 260 241 A 56 GLU HGy A 56 GLU HA 1.0 1.894 4.264 261 242 A 59 GLN HE22 A 59 GLN HGy 1.0 1.960 4.908 262 243 A 59 GLN HGy A 59 GLN HE21 1.0 1.857 4.003 263 244 A 59 GLN HGy A 59 GLN HA 1.0 1.933 4.597 264 245 A 59 GLN HA A 59 GLN HBy 1.0 1.783 3.583 265 246 A 59 GLN HBy A 59 GLN H 1.0 1.763 3.481 266 247 A 59 GLN HE22 A 59 GLN HE21 1.0 1.588 2.782 267 248 A 30 GLN H A 30 GLN HA 1.0 1.760 3.470 268 249 A 30 GLN H A 30 GLN HGy 1.0 1.894 4.266 269 250 A 30 GLN H A 30 GLN HBy 1.0 1.822 3.790 270 251 A 31 HIS H A 30 GLN HBx 1.0 1.880 4.160 271 252 A 30 GLN HE21 A 30 GLN HE22 1.0 1.497 2.491 272 253 A 31 HIS H A 31 HIS HBx 1.0 1.964 4.962 273 254 A 31 HIS HBy A 31 HIS HA 1.0 1.945 4.727 274 255 A 31 HIS HBx A 31 HIS HA 1.0 1.940 4.680 275 256 A 9 HIS H A 9 HIS HBx 1.0 1.899 4.301 276 257 A 9 HIS H A 9 HIS HA 1.0 1.948 4.770 277 258 A 9 HIS HBx A 9 HIS HA 1.0 1.976 5.152 278 259 A 9 HIS HA A 9 HIS HBy 1.0 1.973 5.111 279 260 A 67 HIS H A 67 HIS HBx 1.0 1.983 5.299 280 261 A 67 HIS H A 67 HIS HBy 1.0 1.920 4.484 281 262 A 67 HIS HBy A 67 HIS HA 1.0 1.927 4.545 282 263 A 67 HIS HBx A 67 HIS HA 1.0 1.893 4.255 283 264 A 72 HIS H A 72 HIS HBy 1.0 1.990 5.460 284 265 A 72 HIS HBy A 72 HIS HA 1.0 1.894 4.264 285 266 A 72 HIS HA A 72 HIS HBx 1.0 1.885 4.203 286 267 A 44 LYS H A 44 LYS HBy 1.0 1.914 4.424 287 268 A 44 LYS H A 44 LYS HBx 1.0 1.931 4.583 288 269 A 44 LYS HBx A 44 LYS HA 1.0 1.861 4.027 289 270 A 44 LYS HBy A 44 LYS HA 1.0 1.923 4.511 290 271 A 44 LYS HDy A 44 LYS HEy 1.0 1.784 3.586 291 272 A 44 LYS HBx A 44 LYS HGy 1.0 1.875 4.125 292 273 A 44 LYS HBy A 44 LYS HGy 1.0 1.860 4.026 293 274 A 13 LYS H A 13 LYS HBx 1.0 1.838 3.886 294 275 A 13 LYS H A 13 LYS HBy 1.0 1.840 3.898 295 276 A 13 LYS H A 13 LYS HA 1.0 1.824 3.804 296 277 A 13 LYS HBy A 13 LYS HA 1.0 1.930 4.566 297 278 A 13 LYS HBx A 13 LYS HA 1.0 1.932 4.596 298 279 A 13 LYS HA A 13 LYS HGx 1.0 1.924 4.514 299 280 A 13 LYS HBy A 13 LYS HGx 1.0 1.808 3.714 300 281 A 8 ARG H A 8 ARG HBx 1.0 1.979 5.201 301 282 A 8 ARG H A 8 ARG HA 1.0 1.953 4.819 302 283 A 7 CYS HA A 8 ARG H 1.0 1.833 3.855 303 284 A 8 ARG H A 8 ARG HBy 1.0 1.942 4.694 304 285 A 8 ARG H A 8 ARG HGx 1.0 1.945 4.723 305 286 A 8 ARG HE A 8 ARG HDy 1.0 1.938 4.650 306 287 A 8 ARG HBx A 8 ARG HDy 1.0 1.937 4.637 307 288 A 8 ARG HDy A 8 ARG HGy 1.0 1.934 4.610 308 289 A 8 ARG HBy A 8 ARG HDy 1.0 1.904 4.342 309 290 A 8 ARG HGx A 8 ARG HDy 1.0 1.886 4.204 310 291 A 8 ARG HBx A 8 ARG HGy 1.0 1.927 4.545 311 292 A 8 ARG HA A 8 ARG HBy 1.0 1.861 4.033 312 293 A 8 ARG HBx A 8 ARG HA 1.0 1.778 3.558 313 294 A 64 ARG H A 64 ARG HA 1.0 1.881 4.167 314 295 A 64 ARG H A 64 ARG HBy 1.0 1.874 4.124 315 296 A 64 ARG H A 64 ARG HBx 1.0 1.928 4.554 316 297 A 64 ARG H A 64 ARG HGx 1.0 1.939 4.671 317 298 A 64 ARG H A 64 ARG HGy 1.0 1.970 5.050 318 299 A 64 ARG HBx A 64 ARG HGy 1.0 1.742 3.388 319 300 A 64 ARG HBx A 64 ARG HDy 1.0 1.859 4.015 320 301 A 64 ARG HBy A 64 ARG HDy 1.0 1.869 4.087 321 302 A 64 ARG HGx A 64 ARG HDy 1.0 1.880 4.164 322 303 A 64 ARG HGy A 64 ARG HDy 1.0 1.792 3.626 323 304 A 64 ARG HA A 64 ARG HBx 1.0 1.838 3.884 324 305 A 64 ARG HA A 64 ARG HBy 1.0 1.872 4.106 325 306 A 64 ARG HA A 64 ARG HGy 1.0 1.850 3.956 326 307 A 64 ARG HDy A 64 ARG HE 1.0 1.897 4.291 327 308 A 37 ARG H A 37 ARG HA 1.0 1.667 3.069 328 309 A 37 ARG H A 37 ARG HBx 1.0 1.869 4.085 329 310 A 37 ARG H A 37 ARG HBy 1.0 1.833 3.855 330 311 A 37 ARG HDy A 37 ARG HGx 1.0 1.830 3.838 331 312 A 37 ARG HDy A 37 ARG HGy 1.0 1.881 4.167 332 313 A 37 ARG HA A 37 ARG HBy 1.0 1.899 4.301 333 314 A 37 ARG HA A 37 ARG HBx 1.0 1.834 3.862 334 315 A 37 ARG HA A 37 ARG HGy 1.0 1.938 4.650 335 316 A 37 ARG HA A 37 ARG HGx 1.0 1.947 4.749 336 317 A 37 ARG H A 37 ARG HGx 1.0 1.893 4.261 337 318 A 37 ARG HDy A 37 ARG HE 1.0 1.900 4.304 338 319 A 70 GLU H A 70 GLU HBy 1.0 1.898 4.298 339 320 A 70 GLU H A 70 GLU HA 1.0 1.934 4.604 340 321 A 70 GLU HBy A 70 GLU HA 1.0 1.960 4.904 341 322 A 70 GLU HBy A 70 GLU HGy 1.0 1.755 3.447 342 323 A 70 GLU HA A 70 GLU HGy 1.0 1.931 4.575 343 324 A 68 TYR HDx A 68 TYR HEx 1.0 1.630 2.930 344 324 A 68 TYR HDy A 68 TYR HEx 1.0 1.630 2.930 345 324 A 68 TYR HEy A 68 TYR HDy 1.0 1.630 2.930 346 324 A 68 TYR HEy A 68 TYR HDx 1.0 1.630 2.930 347 325 A 71 TYR HDy A 71 TYR HEx 1.0 1.644 2.982 348 325 A 71 TYR HDx A 71 TYR HEx 1.0 1.644 2.982 349 325 A 71 TYR HEy A 71 TYR HDx 1.0 1.644 2.982 350 325 A 71 TYR HEy A 71 TYR HDy 1.0 1.644 2.982 351 326 A 43 TYR HDx A 43 TYR HEx 1.0 1.639 2.965 352 326 A 43 TYR HDy A 43 TYR HEx 1.0 1.639 2.965 353 326 A 43 TYR HEy A 43 TYR HDy 1.0 1.639 2.965 354 326 A 43 TYR HEy A 43 TYR HDx 1.0 1.639 2.965 355 327 A 68 TYR HDy A 68 TYR HA 1.0 1.885 4.197 356 327 A 68 TYR HDx A 68 TYR HA 1.0 1.885 4.197 357 328 A 43 TYR HA A 43 TYR HDy 1.0 1.891 4.239 358 328 A 43 TYR HA A 43 TYR HDx 1.0 1.891 4.239 359 329 A 71 TYR HDx A 71 TYR HA 1.0 1.922 4.500 360 329 A 71 TYR HDy A 71 TYR HA 1.0 1.922 4.500 361 330 A 68 TYR HDy A 68 TYR HBx 1.0 1.837 3.879 362 330 A 68 TYR HDx A 68 TYR HBx 1.0 1.837 3.879 363 331 A 68 TYR HDy A 68 TYR HBy 1.0 1.794 3.636 364 331 A 68 TYR HDx A 68 TYR HBy 1.0 1.794 3.636 365 332 A 68 TYR HBx A 68 TYR H 1.0 1.893 4.259 366 333 A 68 TYR HBy A 68 TYR H 1.0 1.878 4.148 367 334 A 68 TYR HA A 68 TYR H 1.0 1.920 4.482 368 335 A 68 TYR HA A 68 TYR HBx 1.0 1.929 4.555 369 336 A 68 TYR HA A 68 TYR HBy 1.0 1.934 4.612 370 337 A 71 TYR HDx A 71 TYR HBy 1.0 1.805 3.697 371 337 A 71 TYR HDy A 71 TYR HBy 1.0 1.805 3.697 372 338 A 71 TYR HDx A 71 TYR HBx 1.0 1.848 3.950 373 338 A 71 TYR HDy A 71 TYR HBx 1.0 1.848 3.950 374 339 A 71 TYR HA A 71 TYR H 1.0 1.829 3.837 375 340 A 71 TYR HBx A 71 TYR H 1.0 1.920 4.476 376 341 A 71 TYR HBy A 71 TYR H 1.0 1.869 4.083 377 342 A 71 TYR HA A 71 TYR HBx 1.0 1.922 4.496 378 343 A 71 TYR HA A 71 TYR HBy 1.0 1.934 4.618 379 344 A 71 TYR HDx A 71 TYR H 1.0 1.993 5.527 380 344 A 71 TYR HDy A 71 TYR H 1.0 1.993 5.527 381 345 A 43 TYR HDy A 43 TYR HBx 1.0 1.830 3.842 382 345 A 43 TYR HDx A 43 TYR HBx 1.0 1.830 3.842 383 346 A 43 TYR HDy A 43 TYR HBy 1.0 1.767 3.503 384 346 A 43 TYR HDx A 43 TYR HBy 1.0 1.767 3.503 385 347 A 43 TYR H A 43 TYR HBy 1.0 1.904 4.348 386 348 A 43 TYR HA A 43 TYR HBx 1.0 1.881 4.169 387 349 A 43 TYR HA A 43 TYR HBy 1.0 1.803 3.689 388 350 A 43 TYR H A 43 TYR HDy 1.0 1.948 4.762 389 350 A 43 TYR H A 43 TYR HDx 1.0 1.948 4.762 390 351 A 63 ASP H A 63 ASP HA 1.0 1.786 3.600 391 352 A 63 ASP HA A 63 ASP HBy 1.0 1.729 3.325 392 353 A 40 MET H A 40 MET HA 1.0 1.741 3.381 393 354 A 40 MET HGx A 40 MET HBy 1.0 1.836 3.872 394 355 A 2 ALA H A 1 MET HA 1.0 1.706 3.228 395 356 A 18 GLU H A 18 GLU HBy 1.0 1.806 3.704 396 357 A 34 ASN HD21 A 34 ASN HBy 1.0 1.885 4.203 397 358 A 34 ASN HBy A 34 ASN HD22 1.0 1.948 4.758 398 359 A 34 ASN H A 34 ASN HA 1.0 1.934 4.616 399 360 A 34 ASN HBy A 34 ASN H 1.0 1.856 3.996 400 361 A 38 ASN HD22 A 38 ASN HBy 1.0 1.945 4.733 401 362 A 38 ASN HBy A 38 ASN H 1.0 1.884 4.194 402 363 A 38 ASN H A 38 ASN HA 1.0 1.670 3.082 403 364 A 39 ASP H A 39 ASP HA 1.0 1.794 3.638 404 365 A 25 ASP H A 25 ASP HA 1.0 1.921 4.487 405 366 A 39 ASP H A 39 ASP HBy 1.0 1.827 3.819 406 367 A 21 MET HBy A 21 MET HA 1.0 1.852 3.976 407 368 A 45 GLU HGy A 45 GLU HBy 1.0 1.603 2.835 408 369 A 45 GLU HGy A 45 GLU HA 1.0 1.791 3.623 409 370 A 45 GLU HBy A 45 GLU HA 1.0 1.764 3.490 410 371 A 36 GLU H A 36 GLU HA 1.0 1.827 3.825 411 372 A 18 GLU H A 18 GLU HBx 1.0 1.861 4.031 412 373 A 54 ILE HA A 55 CYS H 1.0 1.857 4.001 413 374 A 54 ILE HA A 8 ARG H 1.0 1.984 5.300 414 375 A 7 CYS HA A 55 CYS H 1.0 2.000 5.944 415 376 A 58 CYS HBx A 55 CYS H 1.0 1.995 5.607 416 377 A 58 CYS HBy A 55 CYS H 1.0 1.993 5.513 417 378 A 55 CYS H A 14 VAL HGy% 1.0 2.000 5.922 418 379 A 54 ILE HG2% A 55 CYS H 1.0 1.942 4.698 419 380 A 55 CYS H A 54 ILE HG1y 1.0 1.997 5.695 420 381 A 54 ILE HG1x A 55 CYS H 1.0 1.984 5.296 421 382 A 9 HIS H A 8 ARG H 1.0 1.960 4.908 422 383 A 7 CYS H A 8 ARG H 1.0 1.998 6.244 423 384 A 53 THR H A 8 ARG H 1.0 1.999 5.841 424 385 A 8 ARG H A 8 ARG HDy 1.0 2.000 6.018 425 386 A 8 ARG H A 8 ARG HGy 1.0 1.994 5.598 426 387 A 53 THR HG2% A 8 ARG H 1.0 1.997 5.695 427 388 A 7 CYS HA A 9 HIS H 1.0 1.993 5.539 428 389 A 9 HIS H A 8 ARG HA 1.0 1.987 5.385 429 390 A 9 HIS H A 8 ARG HBy 1.0 1.998 5.750 430 391 A 9 HIS H A 8 ARG HGy 1.0 1.999 5.847 431 392 A 14 VAL H A 7 CYS H 1.0 2.000 5.928 432 393 A 7 CYS H A 10 CYS H 1.0 2.000 6.068 433 394 A 7 CYS H A 6 TYR HDx 1.0 1.999 5.847 434 394 A 7 CYS H A 6 TYR HDy 1.0 1.999 5.847 435 395 A 7 CYS H A 6 TYR HA 1.0 1.830 3.838 436 396 A 7 CYS H A 13 LYS HA 1.0 1.989 5.395 437 397 A 7 CYS H A 6 TYR HBy 1.0 2.000 5.868 438 398 A 7 CYS H A 14 VAL HGy% 1.0 1.942 4.696 439 399 A 7 CYS H A 12 VAL HGy% 1.0 1.969 5.035 440 400 A 7 CYS H A 12 VAL HGx% 1.0 2.000 6.024 441 401 A 14 VAL HGx% A 7 CYS H 1.0 2.000 5.984 442 402 A 58 CYS H A 59 GLN H 1.0 1.912 4.408 443 403 A 58 CYS H A 56 GLU H 1.0 1.972 5.082 444 404 A 58 CYS H A 57 ASP HA 1.0 1.989 5.407 445 405 A 58 CYS H A 57 ASP HBx 1.0 1.933 4.601 446 406 A 58 CYS H A 57 ASP HBy 1.0 1.943 4.703 447 407 A 58 CYS H A 59 GLN HBy 1.0 1.998 5.784 448 408 A 54 ILE HG2% A 58 CYS H 1.0 1.999 5.829 449 409 A 49 VAL HA A 50 HIS H 1.0 1.815 3.751 450 410 A 55 CYS HA A 56 GLU H 1.0 1.885 4.197 451 411 A 3 LEU HA A 50 HIS H 1.0 1.999 5.823 452 412 A 56 GLU H A 59 GLN H 1.0 1.989 5.415 453 413 A 52 LEU H A 51 VAL H 1.0 1.986 5.330 454 414 A 55 CYS HBx A 56 GLU H 1.0 1.882 4.174 455 415 A 49 VAL HGy% A 50 HIS H 1.0 1.912 4.416 456 416 A 6 TYR H A 5 TYR HA 1.0 1.837 3.877 457 417 A 14 VAL HGy% A 6 TYR H 1.0 1.997 5.701 458 418 A 51 VAL HB A 6 TYR H 1.0 1.996 5.660 459 419 A 6 TYR H A 5 TYR HBx 1.0 1.999 5.775 460 420 A 53 THR H A 52 LEU HDy% 1.0 1.967 5.009 461 421 A 53 THR H A 52 LEU HBy 1.0 1.991 5.479 462 422 A 53 THR H A 52 LEU HG 1.0 2.000 6.022 463 423 A 53 THR H A 52 LEU HBx 1.0 1.999 5.927 464 424 A 53 THR H A 53 THR HB 1.0 2.000 6.026 465 425 A 53 THR H A 53 THR HA 1.0 1.999 5.823 466 426 A 53 THR H A 5 TYR HA 1.0 2.000 5.972 467 427 A 53 THR H A 52 LEU HA 1.0 1.818 3.768 468 428 A 5 TYR H A 5 TYR HA 1.0 1.996 5.638 469 429 A 5 TYR H A 4 HIS HA 1.0 1.819 3.775 470 430 A 34 ASN H A 33 THR H 1.0 1.918 4.456 471 431 A 33 THR HA A 34 ASN H 1.0 1.791 3.625 472 432 A 45 GLU HA A 45 GLU H 1.0 1.965 4.973 473 433 A 45 GLU HBy A 45 GLU H 1.0 1.914 4.432 474 434 A 44 LYS HBx A 45 GLU H 1.0 1.978 5.180 475 435 A 5 TYR H A 4 HIS HBy 1.0 1.874 4.120 476 436 A 33 THR HG2% A 34 ASN H 1.0 1.997 5.691 477 437 A 34 ASN H A 35 GLU HGy 1.0 2.000 5.958 478 438 A 15 GLY H A 14 VAL H 1.0 1.970 5.052 479 439 A 14 VAL H A 6 TYR HA 1.0 1.943 4.705 480 440 A 52 LEU H A 51 VAL HA 1.0 1.786 3.596 481 441 A 53 THR HB A 54 ILE H 1.0 1.986 5.352 482 442 A 53 THR HB A 52 LEU H 1.0 1.982 5.248 483 443 A 14 VAL H A 13 LYS HA 1.0 1.839 3.895 484 444 A 52 LEU H A 51 VAL HB 1.0 1.996 5.668 485 445 A 14 VAL H A 13 LYS HBy 1.0 1.998 5.750 486 446 A 54 ILE H A 54 ILE HG2% 1.0 1.841 3.901 487 447 A 9 HIS H A 10 CYS H 1.0 1.897 4.283 488 448 A 11 GLY H A 10 CYS H 1.0 1.879 4.151 489 449 A 49 VAL H A 48 ASP HA 1.0 1.819 3.773 490 450 A 10 CYS HA A 10 CYS H 1.0 1.916 4.446 491 451 A 32 LEU HA A 33 THR H 1.0 1.786 3.596 492 452 A 3 LEU HA A 49 VAL H 1.0 1.932 4.600 493 453 A 11 GLY HAy A 10 CYS H 1.0 1.981 5.243 494 454 A 49 VAL H A 48 ASP HBy 1.0 1.958 4.880 495 455 A 33 THR H A 36 GLU HBy 1.0 1.820 3.778 496 456 A 59 GLN H A 54 ILE HG1y 1.0 2.000 5.904 497 457 A 54 ILE HG2% A 59 GLN H 1.0 1.957 4.867 498 458 A 49 VAL H A 49 VAL HGy% 1.0 1.966 4.992 499 459 A 49 VAL HGy% A 4 HIS H 1.0 1.906 4.356 500 460 A 32 LEU HDy% A 33 THR H 1.0 1.941 4.679 501 461 A 23 SER H A 22 VAL HGx% 1.0 1.894 4.266 502 462 A 2 ALA HB% A 3 LEU H 1.0 1.862 4.040 503 463 A 28 GLY H A 27 LEU HDy% 1.0 1.980 5.214 504 464 A 28 GLY H A 27 LEU HDx% 1.0 1.977 5.163 505 465 A 14 VAL HGy% A 13 LYS H 1.0 1.994 5.574 506 466 A 18 GLU H A 17 LEU HG 1.0 1.823 3.797 507 467 A 18 GLU H A 17 LEU HBx 1.0 1.887 4.215 508 468 A 28 GLY H A 27 LEU HBy 1.0 1.975 5.125 509 469 A 28 GLY H A 27 LEU HG 1.0 1.981 5.255 510 470 A 28 GLY H A 27 LEU HBx 1.0 1.951 4.797 511 471 A 37 ARG H A 37 ARG HGy 1.0 1.904 4.340 512 472 A 61 ALA HB% A 62 LEU H 1.0 1.871 4.095 513 473 A 61 ALA HB% A 60 GLU H 1.0 1.998 5.776 514 474 A 62 LEU HBy A 63 ASP H 1.0 1.944 4.716 515 475 A 70 GLU HBy A 71 TYR H 1.0 1.948 4.770 516 476 A 21 MET HBy A 21 MET H 1.0 1.851 3.965 517 477 A 21 MET H A 21 MET HBx 1.0 1.938 4.646 518 478 A 37 ARG H A 36 GLU HBy 1.0 1.904 4.336 519 479 A 37 ARG H A 36 GLU HBx 1.0 1.928 4.556 520 480 A 40 MET H A 40 MET HBy 1.0 1.828 3.824 521 481 A 62 LEU H A 60 GLU HBy 1.0 1.952 4.814 522 482 A 40 MET H A 40 MET HGx 1.0 1.976 5.140 523 483 A 40 MET H A 40 MET HGy 1.0 1.980 5.208 524 484 A 21 MET H A 21 MET HGy 1.0 1.979 5.185 525 485 A 7 CYS HBy A 12 VAL H 1.0 1.903 4.341 526 486 A 34 ASN HBy A 35 GLU H 1.0 1.883 4.183 527 487 A 44 LYS H A 43 TYR HBy 1.0 1.942 4.696 528 488 A 38 ASN HBy A 39 ASP H 1.0 1.962 4.926 529 489 A 26 SER H A 25 ASP HBy 1.0 1.865 4.055 530 490 A 40 MET H A 39 ASP HBy 1.0 1.902 4.328 531 491 A 63 ASP H A 63 ASP HBy 1.0 1.731 3.333 532 492 A 62 LEU H A 63 ASP HBy 1.0 1.985 5.317 533 493 A 32 LEU H A 31 HIS HBy 1.0 1.990 5.436 534 494 A 58 CYS HBx A 59 GLN H 1.0 1.965 4.987 535 495 A 43 TYR H A 43 TYR HBx 1.0 1.955 4.835 536 496 A 68 TYR HBy A 69 HIS H 1.0 1.956 4.854 537 497 A 14 VAL H A 5 TYR HBx 1.0 1.996 5.646 538 498 A 7 CYS HBx A 12 VAL H 1.0 1.953 4.821 539 499 A 11 GLY H A 7 CYS HBx 1.0 1.952 4.808 540 500 A 55 CYS HBx A 57 ASP H 1.0 2.000 6.014 541 501 A 47 GLY HAy A 48 ASP H 1.0 1.924 4.510 542 502 A 28 GLY HAy A 29 PHE H 1.0 1.912 4.414 543 503 A 28 GLY HAx A 29 PHE H 1.0 1.927 4.543 544 504 A 57 ASP H A 56 GLU HA 1.0 1.962 4.936 545 505 A 15 GLY HAy A 16 SER H 1.0 1.790 3.616 546 506 A 60 GLU H A 59 GLN HA 1.0 1.853 3.979 547 507 A 60 GLU H A 56 GLU HA 1.0 1.972 5.082 548 508 A 62 LEU H A 60 GLU HA 1.0 1.982 5.260 549 509 A 61 ALA HA A 64 ARG H 1.0 1.968 5.014 550 510 A 61 ALA H A 58 CYS HA 1.0 1.969 5.033 551 511 A 47 GLY HAx A 48 ASP H 1.0 1.921 4.491 552 512 A 65 ASN H A 64 ARG HA 1.0 1.862 4.040 553 513 A 23 SER H A 22 VAL HA 1.0 1.730 3.330 554 514 A 12 VAL H A 12 VAL HA 1.0 1.663 3.053 555 515 A 28 GLY H A 27 LEU HA 1.0 1.865 4.051 556 516 A 33 THR HA A 33 THR H 1.0 1.865 4.057 557 517 A 41 ILE HA A 42 SER H 1.0 1.793 3.637 558 518 A 68 TYR HA A 69 HIS H 1.0 1.764 3.488 559 519 A 20 SER HA A 21 MET H 1.0 1.833 3.851 560 520 A 21 MET HA A 21 MET H 1.0 1.862 4.034 561 521 A 41 ILE H A 40 MET HA 1.0 1.799 3.661 562 522 A 22 VAL H A 21 MET HA 1.0 1.811 3.731 563 523 A 73 THR H A 72 HIS HA 1.0 1.830 3.834 564 524 A 70 GLU H A 69 HIS HA 1.0 1.907 4.375 565 525 A 64 ARG H A 63 ASP HA 1.0 1.931 4.587 566 526 A 57 ASP HA A 60 GLU H 1.0 1.982 5.250 567 527 A 65 ASN HA A 65 ASN HD21 1.0 1.997 5.699 568 528 A 65 ASN H A 64 ARG H 1.0 1.788 3.604 569 529 A 61 ALA H A 60 GLU H 1.0 1.879 4.157 570 530 A 61 ALA H A 62 LEU H 1.0 1.863 4.047 571 531 A 60 GLU H A 59 GLN H 1.0 1.894 4.262 572 532 A 11 GLY H A 12 VAL H 1.0 1.928 4.554 573 533 A 58 CYS H A 57 ASP H 1.0 1.885 4.197 574 534 A 57 ASP H A 56 GLU H 1.0 1.908 4.374 575 535 A 7 CYS H A 12 VAL H 1.0 1.992 5.518 576 536 A 11 GLY H A 9 HIS H 1.0 1.996 5.646 577 537 A 6 TYR H A 6 TYR HDx 1.0 1.904 4.350 578 537 A 6 TYR H A 6 TYR HDy 1.0 1.904 4.350 579 538 A 38 ASN HBy A 38 ASN HD21 1.0 1.887 4.209 580 539 A 61 ALA H A 63 ASP H 1.0 1.980 5.214 581 540 A 61 ALA H A 59 GLN H 1.0 1.998 5.770 582 541 A 61 ALA H A 60 GLU HBy 1.0 1.872 4.104 583 542 A 61 ALA H A 60 GLU HGy 1.0 2.000 5.984 584 543 A 30 GLN HGy A 30 GLN HE21 1.0 1.887 4.217 585 544 A 34 ASN HD21 A 34 ASN HD22 1.0 1.524 2.574 586 545 A 38 ASN HD22 A 38 ASN HD21 1.0 1.499 2.499 587 546 A 29 PHE HDx A 33 THR H 1.0 1.991 6.559 588 546 A 29 PHE HDy A 33 THR H 1.0 1.991 6.559 589 547 A 29 PHE HDx A 30 GLN H 1.0 2.000 6.072 590 547 A 29 PHE HDy A 30 GLN H 1.0 2.000 6.072 591 548 A 34 ASN HD22 A 35 GLU H 1.0 1.999 6.213 592 549 A 14 VAL H A 6 TYR HDx 1.0 2.000 6.046 593 549 A 14 VAL H A 6 TYR HDy 1.0 2.000 6.046 594 550 A 5 TYR HDy A 4 HIS H 1.0 2.000 5.846 595 550 A 5 TYR HDx A 4 HIS H 1.0 2.000 5.846 596 551 A 6 TYR HDx A 13 LYS H 1.0 1.996 5.672 597 551 A 6 TYR HDy A 13 LYS H 1.0 1.996 5.672 598 552 A 68 TYR HDy A 68 TYR H 1.0 1.999 6.113 599 552 A 68 TYR HDx A 68 TYR H 1.0 1.999 6.113 600 553 A 37 ARG HBx A 37 ARG HE 1.0 2.000 6.024 601 554 A 64 ARG HGx A 64 ARG HE 1.0 1.998 5.774 602 555 A 37 ARG HGx A 37 ARG HE 1.0 1.984 5.316 603 556 A 29 PHE HDx A 32 LEU HBx 1.0 1.987 5.363 604 556 A 29 PHE HDy A 32 LEU HBx 1.0 1.987 5.363 605 557 A 54 ILE HB A 8 ARG HE 1.0 1.991 5.455 606 558 A 8 ARG HBy A 8 ARG HE 1.0 1.936 4.636 607 559 A 29 PHE HEy A 32 LEU HBx 1.0 2.000 5.884 608 559 A 29 PHE HEx A 32 LEU HBx 1.0 2.000 5.884 609 560 A 8 ARG HGx A 8 ARG HE 1.0 1.990 5.450 610 561 A 29 PHE HDx A 27 LEU HG 1.0 2.000 5.912 611 561 A 29 PHE HDy A 27 LEU HG 1.0 2.000 5.912 612 562 A 29 PHE HDx A 32 LEU HBy 1.0 1.999 6.169 613 562 A 29 PHE HDy A 32 LEU HBy 1.0 1.999 6.169 614 563 A 29 PHE HEy A 27 LEU HBy 1.0 1.999 5.797 615 563 A 29 PHE HEx A 27 LEU HBy 1.0 1.999 5.797 616 564 A 29 PHE HDx A 27 LEU HBy 1.0 2.000 5.998 617 564 A 29 PHE HDy A 27 LEU HBy 1.0 2.000 5.998 618 565 A 29 PHE HEx A 27 LEU HDx% 1.0 1.946 4.738 619 565 A 29 PHE HEy A 27 LEU HDx% 1.0 1.946 4.738 620 566 A 29 PHE HEx A 32 LEU HDy% 1.0 1.967 4.997 621 566 A 29 PHE HEy A 32 LEU HDy% 1.0 1.967 4.997 622 567 A 29 PHE HDy A 27 LEU HDx% 1.0 1.902 4.322 623 567 A 29 PHE HDx A 27 LEU HDx% 1.0 1.902 4.322 624 568 A 29 PHE HDy A 32 LEU HDy% 1.0 1.943 4.711 625 568 A 29 PHE HDx A 32 LEU HDy% 1.0 1.943 4.711 626 569 A 68 TYR HEx A 68 TYR HBy 1.0 1.987 5.349 627 569 A 68 TYR HEy A 68 TYR HBy 1.0 1.987 5.349 628 570 A 3 LEU HBx A 5 TYR HEx 1.0 1.882 4.172 629 570 A 3 LEU HBx A 5 TYR HEy 1.0 1.882 4.172 630 571 A 43 TYR HA A 43 TYR HEx 1.0 1.997 5.713 631 571 A 43 TYR HA A 43 TYR HEy 1.0 1.997 5.713 632 572 A 43 TYR HEx A 43 TYR HBx 1.0 1.994 5.578 633 572 A 43 TYR HEy A 43 TYR HBx 1.0 1.994 5.578 634 573 A 68 TYR HEx A 69 HIS HBy 1.0 2.000 5.848 635 573 A 68 TYR HEy A 69 HIS HBy 1.0 2.000 5.848 636 574 A 68 TYR HDy A 69 HIS HBy 1.0 1.998 5.764 637 574 A 68 TYR HDx A 69 HIS HBy 1.0 1.998 5.764 638 575 A 6 TYR HA A 6 TYR HDx 1.0 1.942 4.700 639 575 A 6 TYR HA A 6 TYR HDy 1.0 1.942 4.700 640 576 A 53 THR HB A 5 TYR HDy 1.0 1.949 4.779 641 576 A 53 THR HB A 5 TYR HDx 1.0 1.949 4.779 642 577 A 6 TYR HDx A 13 LYS HA 1.0 1.928 4.552 643 577 A 6 TYR HDy A 13 LYS HA 1.0 1.928 4.552 644 578 A 6 TYR HEx A 4 HIS HBx 1.0 1.930 4.570 645 578 A 6 TYR HEy A 4 HIS HBx 1.0 1.930 4.570 646 579 A 6 TYR HEx A 4 HIS HBy 1.0 1.937 4.649 647 579 A 6 TYR HEy A 4 HIS HBy 1.0 1.937 4.649 648 580 A 6 TYR HDx A 4 HIS HBx 1.0 1.927 4.537 649 580 A 6 TYR HDy A 4 HIS HBx 1.0 1.927 4.537 650 581 A 50 HIS HBx A 50 HIS HD2 1.0 1.950 4.776 651 582 A 6 TYR HEx A 13 LYS HBx 1.0 1.991 5.461 652 582 A 6 TYR HEy A 13 LYS HBx 1.0 1.991 5.461 653 583 A 6 TYR HEx A 13 LYS HBy 1.0 1.932 4.598 654 583 A 6 TYR HEy A 13 LYS HBy 1.0 1.932 4.598 655 584 A 3 LEU HBx A 5 TYR HDy 1.0 1.930 4.574 656 584 A 3 LEU HBx A 5 TYR HDx 1.0 1.930 4.574 657 585 A 51 VAL HB A 5 TYR HDy 1.0 1.894 4.262 658 585 A 51 VAL HB A 5 TYR HDx 1.0 1.894 4.262 659 586 A 6 TYR HDx A 13 LYS HBx 1.0 1.974 5.120 660 586 A 6 TYR HDy A 13 LYS HBx 1.0 1.974 5.120 661 587 A 51 VAL HB A 5 TYR HEx 1.0 1.928 4.560 662 587 A 51 VAL HB A 5 TYR HEy 1.0 1.928 4.560 663 588 A 53 THR HG2% A 5 TYR HDx 1.0 1.862 4.040 664 588 A 53 THR HG2% A 5 TYR HDy 1.0 1.862 4.040 665 589 A 53 THR HG2% A 5 TYR HEx 1.0 1.982 5.266 666 589 A 53 THR HG2% A 5 TYR HEy 1.0 1.982 5.266 667 590 A 51 VAL HGx% A 5 TYR HEx 1.0 1.823 3.795 668 590 A 51 VAL HGx% A 5 TYR HEy 1.0 1.823 3.795 669 591 A 3 LEU HDx% A 5 TYR HEy 1.0 1.873 4.111 670 591 A 3 LEU HDx% A 5 TYR HEx 1.0 1.873 4.111 671 592 A 14 VAL HGy% A 5 TYR HDx 1.0 1.950 4.778 672 592 A 14 VAL HGy% A 5 TYR HDy 1.0 1.950 4.778 673 593 A 3 LEU HBy A 5 TYR HEx 1.0 1.975 5.137 674 593 A 3 LEU HBy A 5 TYR HEy 1.0 1.975 5.137 675 594 A 54 ILE HA A 7 CYS HA 1.0 2.000 5.950 676 595 A 65 ASN HA A 66 PRO HDx 1.0 1.897 4.281 677 596 A 65 ASN HA A 66 PRO HDy 1.0 1.894 4.266 678 597 A 6 TYR HA A 13 LYS HA 1.0 1.997 5.691 679 598 A 59 GLN HA A 63 ASP HBy 1.0 1.991 5.473 680 599 A 52 LEU HBx A 8 ARG HA 1.0 1.981 5.243 681 600 A 66 PRO HGx A 66 PRO HDx 1.0 1.866 4.064 682 601 A 66 PRO HGy A 66 PRO HDy 1.0 1.875 4.121 683 602 A 56 GLU HA A 59 GLN HBy 1.0 1.838 3.882 684 603 A 61 ALA HB% A 58 CYS HA 1.0 1.834 3.858 685 604 A 12 VAL HGx% A 12 VAL HA 1.0 1.797 3.653 686 605 A 12 VAL HGy% A 12 VAL HA 1.0 1.832 3.848 687 606 A 40 MET HA A 40 MET HBy 1.0 1.801 3.675 688 607 A 39 ASP HA A 39 ASP HBy 1.0 1.660 3.042 689 608 A 34 ASN HBy A 34 ASN HA 1.0 1.833 3.853 690 609 A 46 ASN HA A 46 ASN HBy 1.0 1.787 3.599 691 610 A 69 HIS HA A 69 HIS HBx 1.0 1.860 4.022 692 611 A 4 HIS HA A 4 HIS HBy 1.0 1.943 4.699 693 612 A 54 ILE HG1x A 54 ILE HG2% 1.0 1.887 4.217 694 613 A 27 LEU HBy A 27 LEU HDx% 1.0 1.739 3.371 695 614 A 27 LEU HDy% A 27 LEU HBy 1.0 1.663 3.053 696 615 A 53 THR HG2% A 14 VAL HGy% 1.0 1.789 3.609 697 616 A 12 VAL HGy% A 14 VAL HGy% 1.0 1.792 3.624 698 617 A 41 ILE HG1y A 41 ILE HD1% 1.0 1.780 3.566 699 618 A 14 VAL HGx% A 12 VAL HGx% 1.0 1.760 3.470 700 619 A 41 ILE HB A 41 ILE HD1% 1.0 1.835 3.867 701 620 A 52 LEU HBx A 52 LEU HDx% 1.0 1.850 3.960 702 621 A 54 ILE HG2% A 59 GLN HBy 1.0 1.877 4.141 703 622 A 8 ARG HGx A 8 ARG HGy 1.0 1.787 3.601 704 623 A 7 CYS HBx A 12 VAL HGy% 1.0 1.900 4.308 705 624 A 7 CYS HBx A 14 VAL HGy% 1.0 1.897 4.291 706 625 A 41 ILE HA A 41 ILE HD1% 1.0 1.860 4.020 707 626 A 53 THR HG2% A 55 CYS HA 1.0 1.946 4.734 708 627 A 3 LEU HA A 3 LEU HBy 1.0 1.937 4.639 709 628 A 44 LYS HA A 44 LYS HGy 1.0 1.910 4.398 710 629 A 52 LEU HBy A 52 LEU HDx% 1.0 1.859 4.019 711 630 A 3 LEU HBy A 51 VAL HGy% 1.0 1.910 4.388 712 631 A 54 ILE HB A 55 CYS H 1.0 1.998 5.788 713 632 A 14 VAL HGx% A 55 CYS H 1.0 1.999 6.191 714 633 A 52 LEU HA A 8 ARG H 1.0 1.993 6.501 715 634 A 7 CYS HBy A 8 ARG H 1.0 1.999 6.157 716 635 A 52 LEU HDy% A 8 ARG H 1.0 2.000 6.096 717 636 A 58 CYS H A 55 CYS HBx 1.0 1.998 6.228 718 637 A 55 CYS H A 56 GLU H 1.0 1.995 6.411 719 638 A 14 VAL HGx% A 56 GLU H 1.0 1.964 4.970 720 639 A 49 VAL H A 50 HIS H 1.0 1.997 5.735 721 640 A 7 CYS H A 6 TYR H 1.0 1.997 6.287 722 641 A 14 VAL HGy% A 5 TYR H 1.0 2.000 6.012 723 642 A 53 THR HG2% A 5 TYR H 1.0 1.995 5.633 724 643 A 6 TYR HA A 5 TYR H 1.0 1.993 5.519 725 644 A 44 LYS HBy A 45 GLU H 1.0 1.983 5.271 726 645 A 54 ILE H A 54 ILE HG1y 1.0 2.000 5.968 727 646 A 54 ILE H A 7 CYS HA 1.0 1.999 5.953 728 647 A 8 ARG HA A 10 CYS H 1.0 1.992 5.504 729 648 A 7 CYS HBy A 10 CYS H 1.0 1.970 5.040 730 649 A 49 VAL H A 48 ASP HBx 1.0 1.968 5.018 731 650 A 32 LEU HDx% A 33 THR H 1.0 1.908 4.376 732 651 A 33 THR H A 36 GLU HBx 1.0 1.813 3.743 733 652 A 32 LEU H A 33 THR H 1.0 1.960 4.906 734 653 A 34 ASN HA A 35 GLU H 1.0 1.833 3.853 735 654 A 33 THR HA A 35 GLU H 1.0 1.988 5.392 736 655 A 58 CYS HA A 59 GLN H 1.0 1.921 4.483 737 656 A 54 ILE HG1x A 59 GLN H 1.0 1.996 5.634 738 657 A 62 LEU HDx% A 59 GLN H 1.0 1.974 5.114 739 658 A 41 ILE HB A 43 TYR H 1.0 1.987 5.367 740 659 A 3 LEU HBy A 4 HIS H 1.0 1.947 4.757 741 660 A 41 ILE HG1y A 43 TYR H 1.0 2.000 5.962 742 661 A 3 LEU HDy% A 4 HIS H 1.0 1.918 4.460 743 662 A 50 HIS HA A 4 HIS H 1.0 1.999 6.137 744 663 A 41 ILE HG2% A 43 TYR H 1.0 1.906 4.356 745 664 A 16 SER HBx A 17 LEU H 1.0 1.982 5.268 746 665 A 18 GLU H A 18 GLU HA 1.0 1.911 4.395 747 666 A 16 SER HA A 17 LEU H 1.0 1.897 4.295 748 667 A 2 ALA H A 1 MET HGy 1.0 1.981 6.801 749 668 A 2 ALA H A 1 MET HBy 1.0 1.817 3.761 750 669 A 2 ALA H A 3 LEU H 1.0 1.870 4.086 751 670 A 2 ALA HA A 3 LEU H 1.0 1.750 3.424 752 671 A 3 LEU HA A 4 HIS H 1.0 1.706 3.224 753 672 A 51 VAL H A 5 TYR HA 1.0 1.920 4.476 754 673 A 51 VAL H A 5 TYR HDy 1.0 1.981 5.229 755 673 A 51 VAL H A 5 TYR HDx 1.0 1.981 5.229 756 674 A 52 LEU HA A 6 TYR H 1.0 1.951 4.799 757 675 A 4 HIS H A 4 HIS HBx 1.0 1.974 5.102 758 676 A 3 LEU HDx% A 4 HIS H 1.0 1.933 4.603 759 677 A 51 VAL HGy% A 4 HIS H 1.0 1.985 5.321 760 678 A 51 VAL HGy% A 5 TYR HDy 1.0 1.966 4.998 761 678 A 51 VAL HGy% A 5 TYR HDx 1.0 1.966 4.998 762 679 A 3 LEU HDy% A 5 TYR HDy 1.0 1.958 4.874 763 679 A 3 LEU HDy% A 5 TYR HDx 1.0 1.958 4.874 764 680 A 51 VAL HGy% A 5 TYR HEy 1.0 1.941 4.687 765 680 A 51 VAL HGy% A 5 TYR HEx 1.0 1.941 4.687 766 681 A 3 LEU HDy% A 5 TYR HEy 1.0 1.943 4.707 767 681 A 3 LEU HDy% A 5 TYR HEx 1.0 1.943 4.707 768 682 A 14 VAL HGx% A 5 TYR HDx 1.0 1.829 3.835 769 682 A 14 VAL HGx% A 5 TYR HDy 1.0 1.829 3.835 770 683 A 3 LEU HBy A 5 TYR HDy 1.0 1.998 5.794 771 683 A 3 LEU HBy A 5 TYR HDx 1.0 1.998 5.794 772 684 A 49 VAL HB A 5 TYR HEx 1.0 1.995 6.401 773 684 A 49 VAL HB A 5 TYR HEy 1.0 1.995 6.401 774 685 A 5 TYR HBx A 5 TYR HEx 1.0 1.999 6.121 775 685 A 5 TYR HBx A 5 TYR HEy 1.0 1.999 6.121 776 686 A 5 TYR HBy A 5 TYR HEx 1.0 1.978 6.860 777 686 A 5 TYR HBy A 5 TYR HEy 1.0 1.978 6.860 778 687 A 5 TYR HDy A 4 HIS HA 1.0 1.955 4.841 779 687 A 5 TYR HDx A 4 HIS HA 1.0 1.955 4.841 780 688 A 14 VAL HGy% A 13 LYS HA 1.0 1.999 5.795 781 689 A 6 TYR HEx A 13 LYS HGx 1.0 1.998 6.232 782 689 A 6 TYR HEy A 13 LYS HGx 1.0 1.998 6.232 783 690 A 6 TYR HEx A 13 LYS HGy 1.0 1.987 6.645 784 690 A 6 TYR HEy A 13 LYS HGy 1.0 1.987 6.645 785 691 A 6 TYR HDx A 13 LYS HGy 1.0 1.912 4.416 786 691 A 6 TYR HDy A 13 LYS HGy 1.0 1.912 4.416 787 692 A 6 TYR HDx A 13 LYS HGx 1.0 1.990 5.444 788 692 A 6 TYR HDy A 13 LYS HGx 1.0 1.990 5.444 789 693 A 12 VAL HGx% A 6 TYR HDx 1.0 2.000 5.910 790 693 A 12 VAL HGx% A 6 TYR HDy 1.0 2.000 5.910 791 694 A 6 TYR HDx A 13 LYS HBy 1.0 1.930 4.574 792 694 A 6 TYR HDy A 13 LYS HBy 1.0 1.930 4.574 793 695 A 6 TYR HEx A 13 LYS HA 1.0 1.996 6.378 794 695 A 6 TYR HEy A 13 LYS HA 1.0 1.996 6.378 795 696 A 6 TYR HEx A 5 TYR HA 1.0 2.000 6.118 796 696 A 6 TYR HEy A 5 TYR HA 1.0 2.000 6.118 797 697 A 6 TYR HDx A 5 TYR HA 1.0 1.950 4.788 798 697 A 6 TYR HDy A 5 TYR HA 1.0 1.950 4.788 799 698 A 6 TYR HEx A 4 HIS H 1.0 1.999 6.167 800 698 A 6 TYR HEy A 4 HIS H 1.0 1.999 6.167 801 699 A 6 TYR HDx A 4 HIS H 1.0 1.994 5.582 802 699 A 6 TYR HDy A 4 HIS H 1.0 1.994 5.582 803 700 A 12 VAL H A 6 TYR HDx 1.0 1.999 5.807 804 700 A 12 VAL H A 6 TYR HDy 1.0 1.999 5.807 805 701 A 7 CYS H A 6 TYR HBx 1.0 1.942 4.692 806 702 A 14 VAL HGx% A 7 CYS HA 1.0 2.000 5.962 807 703 A 53 THR H A 7 CYS HA 1.0 1.999 5.817 808 704 A 62 LEU HDx% A 8 ARG HE 1.0 1.986 5.358 809 705 A 54 ILE HD1% A 8 ARG HE 1.0 1.920 4.474 810 706 A 54 ILE HG2% A 8 ARG HE 1.0 1.951 4.793 811 707 A 8 ARG HE A 8 ARG HGy 1.0 1.995 5.599 812 708 A 62 LEU HDy% A 8 ARG HE 1.0 1.994 5.582 813 709 A 8 ARG HE A 54 ILE HG1y 1.0 1.974 5.124 814 710 A 58 CYS HBy A 8 ARG HE 1.0 1.980 5.212 815 711 A 9 HIS HBx A 8 ARG HE 1.0 1.995 5.609 816 712 A 9 HIS HBy A 8 ARG HE 1.0 1.995 5.605 817 713 A 9 HIS H A 8 ARG HE 1.0 1.994 6.436 818 714 A 8 ARG HDy A 54 ILE HG1y 1.0 1.993 5.533 819 715 A 8 ARG HA A 8 ARG HDy 1.0 1.994 5.588 820 716 A 8 ARG HBy A 8 ARG HGy 1.0 1.932 4.592 821 717 A 8 ARG HBx A 8 ARG HBy 1.0 1.704 3.220 822 718 A 9 HIS H A 8 ARG HGx 1.0 2.000 5.974 823 719 A 9 HIS H A 8 ARG HBx 1.0 1.995 6.405 824 720 A 7 CYS HBy A 9 HIS H 1.0 1.992 6.486 825 721 A 9 HIS H A 9 HIS HBy 1.0 1.942 4.692 826 722 A 9 HIS HBy A 10 CYS H 1.0 1.960 4.900 827 723 A 9 HIS HBx A 10 CYS H 1.0 1.936 4.630 828 724 A 11 GLY HAx A 10 CYS H 1.0 1.995 5.645 829 725 A 10 CYS HBx A 10 CYS H 1.0 1.999 5.787 830 726 A 10 CYS HBy A 10 CYS H 1.0 1.864 4.050 831 727 A 10 CYS HBx A 12 VAL H 1.0 1.986 5.364 832 728 A 10 CYS HBy A 12 VAL H 1.0 1.945 4.735 833 729 A 11 GLY H A 7 CYS HBy 1.0 1.985 5.315 834 730 A 11 GLY H A 10 CYS HA 1.0 2.000 5.970 835 731 A 12 VAL HB A 12 VAL HA 1.0 1.813 3.739 836 732 A 7 CYS HA A 12 VAL HGx% 1.0 2.000 6.010 837 733 A 7 CYS HA A 12 VAL HGy% 1.0 2.000 5.836 838 734 A 12 VAL HGx% A 14 VAL HA 1.0 1.995 5.627 839 735 A 12 VAL HGy% A 14 VAL HA 1.0 1.930 4.572 840 736 A 12 VAL HGx% A 13 LYS HA 1.0 2.000 5.998 841 737 A 7 CYS HBx A 12 VAL HGx% 1.0 1.968 5.014 842 738 A 7 CYS HBy A 12 VAL HGx% 1.0 1.931 4.587 843 739 A 13 LYS H A 12 VAL HA 1.0 1.663 3.053 844 740 A 12 VAL HB A 13 LYS H 1.0 1.820 3.776 845 741 A 13 LYS H A 13 LYS HGx 1.0 1.817 3.763 846 742 A 13 LYS H A 13 LYS HGy 1.0 1.933 4.607 847 743 A 13 LYS HA A 13 LYS HGy 1.0 1.990 5.460 848 744 A 14 VAL HGx% A 13 LYS HA 1.0 1.994 5.582 849 745 A 13 LYS HBy A 13 LYS HGy 1.0 1.782 3.580 850 746 A 13 LYS HBx A 13 LYS HGx 1.0 1.876 4.134 851 747 A 13 LYS HBx A 13 LYS HGy 1.0 1.745 3.399 852 748 A 15 GLY H A 14 VAL HA 1.0 1.916 4.446 853 749 A 14 VAL HB A 14 VAL HGy% 1.0 1.735 3.351 854 750 A 14 VAL HGx% A 5 TYR HBx 1.0 1.944 4.708 855 751 A 15 GLY H A 14 VAL HGy% 1.0 1.968 5.008 856 752 A 15 GLY H A 14 VAL HGx% 1.0 1.981 5.245 857 753 A 15 GLY H A 16 SER H 1.0 1.888 4.220 858 754 A 67 HIS H A 68 TYR H 1.0 1.877 4.141 859 755 A 15 GLY H A 16 SER HBx 1.0 2.000 5.904 860 756 A 17 LEU H A 18 GLU HA 1.0 1.920 4.482 861 757 A 17 LEU HA A 17 LEU H 1.0 1.751 3.425 862 758 A 16 SER HBy A 17 LEU H 1.0 1.919 4.471 863 759 A 17 LEU HG A 17 LEU H 1.0 1.864 4.048 864 760 A 17 LEU HBx A 17 LEU H 1.0 1.898 4.294 865 761 A 17 LEU HDx% A 17 LEU HBx 1.0 1.692 3.170 866 762 A 18 GLU H A 17 LEU HDy% 1.0 1.896 4.274 867 763 A 16 SER HA A 18 GLU H 1.0 1.897 4.295 868 764 A 31 HIS H A 30 GLN HE21 1.0 1.995 6.393 869 765 A 19 SER H A 18 GLU HA 1.0 1.749 3.415 870 766 A 19 SER H A 19 SER HBy 1.0 1.888 4.218 871 767 A 28 GLY HAx A 29 PHE HDx 1.0 1.993 6.479 872 767 A 28 GLY HAx A 29 PHE HDy 1.0 1.993 6.479 873 768 A 28 GLY HAy A 29 PHE HDx 1.0 1.988 6.606 874 768 A 28 GLY HAy A 29 PHE HDy 1.0 1.988 6.606 875 769 A 20 SER H A 19 SER HBy 1.0 1.924 4.516 876 770 A 20 SER H A 19 SER HBx 1.0 1.873 4.111 877 771 A 22 VAL H A 21 MET H 1.0 1.858 4.010 878 772 A 28 GLY H A 44 LYS HA 1.0 1.955 4.843 879 773 A 22 VAL HGx% A 21 MET H 1.0 1.977 5.163 880 774 A 22 VAL HB A 21 MET H 1.0 1.946 4.738 881 775 A 21 MET HBy A 21 MET HGy 1.0 1.804 3.692 882 776 A 21 MET HBy A 21 MET HGx 1.0 1.812 3.738 883 777 A 21 MET HBx A 21 MET HGx 1.0 1.821 3.789 884 778 A 21 MET HBx A 21 MET HGy 1.0 1.806 3.698 885 779 A 21 MET HA A 21 MET HGx 1.0 1.888 4.214 886 780 A 21 MET HA A 21 MET HGy 1.0 1.936 4.638 887 781 A 21 MET HA A 21 MET HBx 1.0 1.879 4.155 888 782 A 21 MET H A 21 MET HGx 1.0 1.818 3.770 889 783 A 19 SER HA A 22 VAL HGx% 1.0 1.980 5.222 890 784 A 23 SER H A 23 SER HA 1.0 1.832 3.848 891 785 A 23 SER H A 22 VAL H 1.0 1.925 4.523 892 786 A 24 THR H A 23 SER HA 1.0 1.757 3.451 893 787 A 24 THR H A 23 SER HBy 1.0 1.933 4.597 894 788 A 24 THR H A 23 SER HBx 1.0 1.899 4.299 895 789 A 24 THR H A 24 THR HA 1.0 1.779 3.565 896 790 A 24 THR HB A 24 THR H 1.0 1.970 5.062 897 791 A 25 ASP H A 24 THR HA 1.0 1.746 3.404 898 792 A 26 SER HBy A 25 ASP H 1.0 1.905 4.355 899 793 A 26 SER HBx A 25 ASP H 1.0 1.893 4.257 900 794 A 25 ASP H A 25 ASP HBy 1.0 1.823 3.797 901 795 A 27 LEU H A 27 LEU HBy 1.0 1.903 4.341 902 796 A 27 LEU HA A 27 LEU HG 1.0 1.871 4.099 903 797 A 27 LEU HA A 27 LEU HDx% 1.0 1.868 4.080 904 798 A 27 LEU HBx A 27 LEU HDy% 1.0 1.707 3.231 905 799 A 27 LEU HBx A 27 LEU HDx% 1.0 1.692 3.168 906 800 A 27 LEU HG A 27 LEU HDx% 1.0 1.734 3.348 907 801 A 28 GLY H A 29 PHE H 1.0 1.845 3.927 908 802 A 29 PHE H A 30 GLN H 1.0 1.885 4.201 909 803 A 29 PHE H A 29 PHE HA 1.0 1.848 3.950 910 804 A 62 LEU HG A 63 ASP H 1.0 1.904 4.340 911 805 A 29 PHE HA A 29 PHE HEy 1.0 1.995 6.391 912 805 A 29 PHE HA A 29 PHE HEx 1.0 1.995 6.391 913 806 A 29 PHE HDx A 27 LEU HA 1.0 2.000 5.850 914 806 A 29 PHE HDy A 27 LEU HA 1.0 2.000 5.850 915 807 A 29 PHE HBx A 29 PHE HEy 1.0 1.996 6.354 916 807 A 29 PHE HBx A 29 PHE HEx 1.0 1.996 6.354 917 808 A 29 PHE HBy A 29 PHE HEy 1.0 1.998 6.268 918 808 A 29 PHE HBy A 29 PHE HEx 1.0 1.998 6.268 919 809 A 29 PHE HEy A 27 LEU HA 1.0 1.977 6.889 920 809 A 29 PHE HEx A 27 LEU HA 1.0 1.977 6.889 921 810 A 29 PHE HDx A 27 LEU HDy% 1.0 1.922 4.496 922 810 A 29 PHE HDy A 27 LEU HDy% 1.0 1.922 4.496 923 811 A 29 PHE HEy A 32 LEU HDx% 1.0 1.965 4.979 924 811 A 29 PHE HEx A 32 LEU HDx% 1.0 1.965 4.979 925 812 A 29 PHE HDy A 32 LEU HDx% 1.0 1.907 4.363 926 812 A 29 PHE HDx A 32 LEU HDx% 1.0 1.907 4.363 927 813 A 29 PHE HEy A 27 LEU HDy% 1.0 1.975 5.135 928 813 A 29 PHE HEx A 27 LEU HDy% 1.0 1.975 5.135 929 814 A 29 PHE HBx A 32 LEU HDx% 1.0 1.955 4.839 930 815 A 29 PHE HBy A 32 LEU HDx% 1.0 1.965 4.975 931 816 A 29 PHE HBx A 32 LEU HDy% 1.0 1.966 4.994 932 817 A 29 PHE HBy A 31 HIS H 1.0 1.974 5.124 933 818 A 29 PHE HBx A 30 GLN H 1.0 1.975 5.117 934 819 A 30 GLN HGy A 30 GLN HE22 1.0 1.998 5.790 935 820 A 31 HIS HBx A 31 HIS HBy 1.0 1.616 2.878 936 821 A 4 HIS HA A 4 HIS HBx 1.0 1.983 5.273 937 822 A 32 LEU H A 32 LEU HA 1.0 1.831 3.843 938 823 A 32 LEU H A 32 LEU HDy% 1.0 1.958 4.884 939 824 A 32 LEU HA A 32 LEU HDy% 1.0 1.996 5.618 940 825 A 33 THR HG2% A 32 LEU HA 1.0 2.000 6.130 941 826 A 33 THR HB A 33 THR H 1.0 1.886 4.206 942 827 A 36 GLU H A 35 GLU H 1.0 1.877 4.139 943 828 A 33 THR HB A 34 ASN H 1.0 1.823 3.797 944 829 A 41 ILE H A 41 ILE HA 1.0 1.942 4.696 945 830 A 33 THR HG2% A 34 ASN HD22 1.0 1.988 5.392 946 831 A 2 ALA HB% A 3 LEU HDx% 1.0 1.881 4.169 947 832 A 2 ALA HB% A 3 LEU HDy% 1.0 1.940 4.676 948 833 A 37 ARG HBx A 34 ASN HA 1.0 1.988 5.390 949 834 A 38 ASN HBy A 38 ASN HA 1.0 1.981 5.249 950 835 A 36 GLU H A 35 GLU HGy 1.0 1.918 4.464 951 836 A 35 GLU H A 35 GLU HA 1.0 1.869 4.083 952 837 A 35 GLU HGy A 35 GLU HA 1.0 1.798 3.664 953 838 A 35 GLU HA A 35 GLU HBy 1.0 1.825 3.805 954 839 A 36 GLU H A 36 GLU HBy 1.0 1.854 3.980 955 840 A 36 GLU H A 36 GLU HBx 1.0 1.838 3.888 956 841 A 32 LEU HBy A 36 GLU H 1.0 1.976 5.160 957 842 A 36 GLU HA A 36 GLU HBy 1.0 1.928 4.554 958 843 A 36 GLU HA A 36 GLU HBx 1.0 1.953 4.819 959 844 A 36 GLU HA A 36 GLU HGy 1.0 1.961 4.925 960 845 A 62 LEU HBx A 60 GLU HA 1.0 1.976 5.156 961 846 A 62 LEU HBy A 60 GLU HA 1.0 1.993 5.539 962 847 A 37 ARG H A 37 ARG HDy 1.0 2.000 6.054 963 848 A 37 ARG H A 36 GLU H 1.0 1.807 3.703 964 849 A 37 ARG HBy A 37 ARG HE 1.0 1.998 6.240 965 850 A 37 ARG HGy A 37 ARG HE 1.0 1.988 6.654 966 851 A 37 ARG HA A 37 ARG HDy 1.0 1.996 5.664 967 852 A 37 ARG HBx A 37 ARG HGy 1.0 1.866 4.062 968 853 A 37 ARG HBy A 37 ARG HGy 1.0 1.801 3.675 969 854 A 38 ASN H A 38 ASN HD21 1.0 2.000 6.010 970 855 A 38 ASN HD22 A 38 ASN H 1.0 1.995 6.373 971 856 A 38 ASN HA A 38 ASN HD21 1.0 1.984 6.724 972 857 A 70 GLU HA A 71 TYR H 1.0 1.793 3.635 973 858 A 7 CYS HBy A 12 VAL HA 1.0 1.954 4.838 974 859 A 3 LEU HA A 49 VAL HB 1.0 1.930 4.578 975 860 A 3 LEU HA A 49 VAL HGx% 1.0 1.972 5.078 976 861 A 3 LEU HA A 49 VAL HGy% 1.0 1.975 5.131 977 862 A 3 LEU HA A 51 VAL HGy% 1.0 1.999 6.113 978 863 A 41 ILE HB A 40 MET H 1.0 2.000 5.996 979 864 A 41 ILE H A 41 ILE HD1% 1.0 1.978 5.180 980 865 A 41 ILE HB A 41 ILE HA 1.0 1.871 4.097 981 866 A 41 ILE HG1x A 41 ILE HA 1.0 1.968 5.026 982 867 A 41 ILE HG1y A 41 ILE HA 1.0 1.988 5.402 983 868 A 41 ILE HG2% A 41 ILE HG1x 1.0 1.832 3.850 984 869 A 41 ILE HG1x A 41 ILE HD1% 1.0 1.741 3.377 985 870 A 42 SER HBy A 43 TYR HBy 1.0 1.999 6.195 986 871 A 66 PRO HGy A 66 PRO HDx 1.0 1.977 5.173 987 872 A 66 PRO HGx A 66 PRO HDy 1.0 1.981 5.231 988 873 A 51 VAL H A 4 HIS H 1.0 1.985 5.323 989 874 A 70 GLU HA A 71 TYR HDx 1.0 1.997 6.271 990 874 A 70 GLU HA A 71 TYR HDy 1.0 1.997 6.271 991 875 A 43 TYR HEx A 43 TYR HBy 1.0 1.994 6.428 992 875 A 43 TYR HEy A 43 TYR HBy 1.0 1.994 6.428 993 876 A 44 LYS HBy A 43 TYR HEx 1.0 1.996 6.384 994 876 A 44 LYS HBy A 43 TYR HEy 1.0 1.996 6.384 995 877 A 44 LYS H A 44 LYS HDy 1.0 1.964 4.966 996 878 A 3 LEU HBx A 3 LEU HBy 1.0 1.644 2.980 997 879 A 54 ILE HG2% A 59 GLN HGy 1.0 1.925 4.521 998 880 A 53 THR HG2% A 5 TYR HBy 1.0 1.866 4.066 999 881 A 52 LEU HG A 52 LEU HDx% 1.0 1.754 3.440 1000 882 A 54 ILE HG2% A 58 CYS HBy 1.0 1.887 4.211 1001 883 A 54 ILE HG2% A 58 CYS HBx 1.0 1.916 4.440 1002 884 A 14 VAL HGy% A 5 TYR HBy 1.0 1.953 4.815 1003 885 A 66 PRO HBx A 66 PRO HDx 1.0 1.987 5.381 1004 886 A 49 VAL HGy% A 50 HIS HBx 1.0 1.994 6.446 1005 887 A 49 VAL HGy% A 50 HIS HBy 1.0 1.994 6.442 1006 888 A 50 HIS HBy A 50 HIS HA 1.0 1.988 5.394 1007 889 A 46 ASN HBx A 46 ASN HD22 1.0 1.973 5.093 1008 890 A 47 GLY H A 48 ASP H 1.0 1.855 3.989 1009 891 A 47 GLY H A 46 ASN HA 1.0 1.843 3.915 1010 892 A 48 ASP H A 48 ASP HBy 1.0 1.902 4.330 1011 893 A 52 LEU HDy% A 6 TYR HBx 1.0 1.985 5.321 1012 894 A 49 VAL HA A 49 VAL HB 1.0 1.951 4.799 1013 895 A 53 THR HG2% A 53 THR HA 1.0 1.986 5.342 1014 896 A 41 ILE HG2% A 42 SER HBy 1.0 1.989 5.415 1015 897 A 49 VAL HGy% A 48 ASP HBy 1.0 1.992 5.484 1016 898 A 3 LEU HBy A 49 VAL HGy% 1.0 1.919 4.473 1017 899 A 49 VAL HB A 50 HIS H 1.0 2.000 5.950 1018 900 A 50 HIS HBx A 50 HIS HA 1.0 1.999 5.809 1019 901 A 51 VAL HB A 5 TYR HA 1.0 1.996 5.636 1020 902 A 53 THR HG2% A 52 LEU HA 1.0 1.980 5.214 1021 903 A 52 LEU HA A 52 LEU HDx% 1.0 1.993 5.531 1022 904 A 51 VAL HA A 52 LEU HDx% 1.0 1.984 5.296 1023 905 A 54 ILE HD1% A 54 ILE HG1y 1.0 1.797 3.655 1024 906 A 54 ILE HG2% A 62 LEU HDy% 1.0 1.808 3.710 1025 907 A 61 ALA H A 62 LEU HG 1.0 1.996 6.368 1026 908 A 52 LEU HA A 52 LEU HBx 1.0 1.993 5.561 1027 909 A 52 LEU HA A 52 LEU HG 1.0 1.999 5.799 1028 910 A 54 ILE HA A 54 ILE HG1y 1.0 1.992 5.502 1029 911 A 30 GLN HBy A 31 HIS HBx 1.0 2.000 5.910 1030 912 A 52 LEU HDy% A 52 LEU HBx 1.0 1.852 3.972 1031 913 A 53 THR H A 52 LEU HDx% 1.0 2.000 6.124 1032 914 A 53 THR H A 5 TYR HBx 1.0 1.995 6.419 1033 915 A 53 THR H A 52 LEU H 1.0 1.977 5.165 1034 916 A 3 LEU HBy A 49 VAL HA 1.0 2.000 6.148 1035 917 A 53 THR HG2% A 6 TYR H 1.0 1.987 5.379 1036 918 A 53 THR HG2% A 54 ILE H 1.0 1.885 4.191 1037 919 A 53 THR HG2% A 5 TYR HA 1.0 2.000 6.128 1038 920 A 53 THR HG2% A 14 VAL HB 1.0 1.867 4.069 1039 921 A 14 VAL HGx% A 7 CYS HBx 1.0 1.987 5.379 1040 922 A 54 ILE HG2% A 54 ILE HG1y 1.0 1.844 3.918 1041 923 A 54 ILE H A 54 ILE HG1x 1.0 1.950 4.784 1042 924 A 55 CYS H A 8 ARG H 1.0 1.987 5.345 1043 925 A 14 VAL HGx% A 55 CYS HBy 1.0 1.997 6.323 1044 926 A 14 VAL HGx% A 55 CYS HBx 1.0 1.997 5.669 1045 927 A 55 CYS HBx A 14 VAL HGy% 1.0 1.960 4.910 1046 928 A 14 VAL HGy% A 55 CYS HBy 1.0 2.000 5.956 1047 929 A 12 VAL HGy% A 55 CYS HBy 1.0 1.978 5.198 1048 930 A 12 VAL HGy% A 56 GLU H 1.0 2.000 6.132 1049 931 A 54 ILE HG2% A 56 GLU HA 1.0 1.983 5.267 1050 932 A 54 ILE HG2% A 57 ASP H 1.0 1.998 6.278 1051 933 A 57 ASP H A 56 GLU HGy 1.0 1.997 5.703 1052 934 A 54 ILE HD1% A 58 CYS HBy 1.0 1.948 4.752 1053 935 A 59 GLN HGy A 63 ASP HBy 1.0 2.000 5.860 1054 936 A 58 CYS HA A 57 ASP HBy 1.0 1.997 5.675 1055 937 A 58 CYS HA A 57 ASP HBx 1.0 2.000 6.058 1056 938 A 64 ARG H A 63 ASP HBy 1.0 1.930 4.578 1057 939 A 57 ASP H A 57 ASP HBy 1.0 1.825 3.811 1058 940 A 57 ASP HBx A 56 GLU H 1.0 1.986 5.356 1059 941 A 56 GLU H A 57 ASP HBy 1.0 1.986 5.358 1060 942 A 58 CYS HBy A 54 ILE HG1y 1.0 1.998 5.760 1061 943 A 54 ILE HD1% A 58 CYS HBx 1.0 1.962 4.938 1062 944 A 58 CYS HBy A 59 GLN H 1.0 1.932 4.588 1063 945 A 59 GLN HA A 59 GLN H 1.0 1.997 6.337 1064 946 A 57 ASP H A 59 GLN H 1.0 1.945 4.729 1065 947 A 56 GLU HA A 59 GLN HE21 1.0 1.990 6.582 1066 948 A 60 GLU HA A 59 GLN HE21 1.0 1.999 6.235 1067 949 A 56 GLU HA A 59 GLN HE22 1.0 1.987 6.665 1068 950 A 59 GLN HE21 A 59 GLN HBy 1.0 2.000 5.932 1069 951 A 30 GLN HBy A 30 GLN HE21 1.0 1.997 6.301 1070 952 A 62 LEU HBx A 59 GLN HE21 1.0 1.994 6.448 1071 953 A 62 LEU HBy A 59 GLN HE21 1.0 1.965 7.087 1072 954 A 59 GLN HE22 A 59 GLN HBy 1.0 1.989 5.423 1073 955 A 62 LEU HDy% A 59 GLN HBy 1.0 1.987 5.359 1074 956 A 60 GLU HA A 59 GLN H 1.0 1.984 5.320 1075 957 A 62 LEU HDx% A 60 GLU H 1.0 1.991 6.545 1076 958 A 18 GLU H A 18 GLU HGy 1.0 1.892 4.252 1077 959 A 37 ARG H A 36 GLU HGy 1.0 1.973 5.089 1078 960 A 70 GLU H A 70 GLU HGy 1.0 1.907 4.371 1079 961 A 57 ASP H A 56 GLU HBy 1.0 1.844 3.926 1080 962 A 22 VAL H A 21 MET HBx 1.0 1.898 4.296 1081 963 A 41 ILE HB A 42 SER H 1.0 1.968 5.034 1082 964 A 32 LEU HBy A 33 THR H 1.0 1.931 4.579 1083 965 A 32 LEU HBx A 33 THR H 1.0 1.987 5.351 1084 966 A 32 LEU HBx A 30 GLN H 1.0 1.998 5.738 1085 967 A 32 LEU H A 32 LEU HG 1.0 1.891 4.245 1086 968 A 33 THR HG2% A 35 GLU H 1.0 1.863 4.045 1087 969 A 52 LEU H A 51 VAL HGy% 1.0 1.987 5.355 1088 970 A 61 ALA H A 62 LEU HBx 1.0 1.995 6.441 1089 971 A 16 SER H A 14 VAL HA 1.0 1.981 5.249 1090 972 A 61 ALA HA A 62 LEU H 1.0 1.939 4.663 1091 973 A 61 ALA HB% A 63 ASP H 1.0 1.984 5.314 1092 974 A 61 ALA HB% A 60 GLU HBy 1.0 1.957 4.869 1093 975 A 61 ALA HB% A 62 LEU HDx% 1.0 1.960 4.912 1094 976 A 54 ILE HD1% A 62 LEU H 1.0 2.000 5.906 1095 977 A 58 CYS HBy A 62 LEU H 1.0 1.999 6.197 1096 978 A 62 LEU H A 68 TYR HBx 1.0 1.996 6.368 1097 979 A 58 CYS HA A 62 LEU H 1.0 1.973 5.107 1098 980 A 62 LEU H A 64 ARG H 1.0 1.980 5.228 1099 981 A 62 LEU H A 59 GLN H 1.0 1.960 4.914 1100 982 A 54 ILE HG2% A 62 LEU HA 1.0 2.000 6.102 1101 983 A 58 CYS HBx A 54 ILE HG1y 1.0 1.981 5.241 1102 984 A 62 LEU HDy% A 63 ASP H 1.0 1.990 5.444 1103 985 A 62 LEU HA A 62 LEU HDy% 1.0 1.865 4.059 1104 986 A 62 LEU HA A 62 LEU HDx% 1.0 1.701 3.205 1105 987 A 62 LEU HBx A 63 ASP H 1.0 1.874 4.116 1106 988 A 65 ASN H A 64 ARG HBx 1.0 1.961 4.913 1107 989 A 59 GLN HGy A 63 ASP H 1.0 1.998 6.246 1108 990 A 41 ILE H A 40 MET HGy 1.0 1.999 6.071 1109 991 A 65 ASN H A 66 PRO HDx 1.0 1.986 5.364 1110 992 A 62 LEU HBx A 63 ASP HBy 1.0 1.989 5.403 1111 993 A 14 VAL HB A 5 TYR HBx 1.0 1.938 4.650 1112 994 A 66 PRO HGy A 65 ASN HBx 1.0 1.980 6.822 1113 995 A 65 ASN HBx A 66 PRO HDy 1.0 1.987 5.379 1114 996 A 65 ASN HBy A 66 PRO HDy 1.0 1.998 5.732 1115 997 A 10 CYS HBy A 10 CYS HA 1.0 1.872 4.106 1116 998 A 33 THR HA A 36 GLU H 1.0 1.937 4.643 1117 999 A 66 PRO HBy A 66 PRO HDy 1.0 1.983 5.297 1118 1000 A 66 PRO HA A 66 PRO HDy 1.0 1.986 5.332 1119 1001 A 66 PRO HA A 66 PRO HDx 1.0 1.984 5.310 1120 1002 A 66 PRO HBx A 66 PRO HGy 1.0 1.938 4.652 1121 1003 A 67 HIS H A 67 HIS HA 1.0 1.765 3.493 1122 1004 A 7 CYS HBx A 10 CYS H 1.0 1.980 5.220 1123 1005 A 71 TYR HEx A 71 TYR HBy 1.0 2.000 6.082 1124 1005 A 71 TYR HEy A 71 TYR HBy 1.0 2.000 6.082 1125 1006 A 71 TYR HEx A 71 TYR HBx 1.0 1.999 5.811 1126 1006 A 71 TYR HEy A 71 TYR HBx 1.0 1.999 5.811 1127 1007 A 72 HIS H A 72 HIS HBx 1.0 1.995 6.429 1128 1008 A 73 THR H A 72 HIS HBx 1.0 2.000 5.864 1129 1009 A 73 THR H A 72 HIS HBy 1.0 1.953 4.821 1130 1010 A 15 GLY H A 5 TYR H 1.0 2.000 5.950 1131 1011 A 44 LYS HBy A 43 TYR HDy 1.0 1.998 5.762 1132 1011 A 44 LYS HBy A 43 TYR HDx 1.0 1.998 5.762 1133 1012 A 29 PHE HDx A 27 LEU HBx 1.0 1.961 4.915 1134 1012 A 29 PHE HDy A 27 LEU HBx 1.0 1.961 4.915 1135 1013 A 46 ASN HBy A 46 ASN HD22 1.0 1.925 4.519 1136 1014 A 65 ASN HBy A 65 ASN HD22 1.0 1.961 4.925 1137 1015 A 72 HIS HBy A 71 TYR HDx 1.0 1.968 5.018 1138 1015 A 72 HIS HBy A 71 TYR HDy 1.0 1.968 5.018 1139 1016 A 54 ILE HG1x A 8 ARG HE 1.0 1.936 4.636 1140 1017 A 13 LYS HGy A 13 LYS HDy 1.0 1.782 3.580 1141 1018 A 17 LEU HDx% A 17 LEU HG 1.0 1.631 2.935 1142 1019 A 17 LEU HDy% A 17 LEU HBx 1.0 1.690 3.160 1143 1020 A 17 LEU HDx% A 17 LEU HBy 1.0 1.641 2.971 1144 1021 A 33 THR HG2% A 33 THR H 1.0 1.863 4.045 1145 1022 A 36 GLU H A 35 GLU HA 1.0 1.827 3.825 1146 1023 A 53 THR HG2% A 6 TYR HA 1.0 1.980 5.214 1147 1024 A 56 GLU HA A 59 GLN H 1.0 1.921 4.483 1148 1025 A 61 ALA HB% A 58 CYS HBy 1.0 1.986 5.346 1149 1026 A 2 ALA HA A 3 LEU HG 1.0 1.996 5.632 1150 1027 A 3 LEU HDy% A 49 VAL HA 1.0 1.982 5.244 1151 1028 A 2 ALA HB% A 3 LEU HA 1.0 1.991 5.471 1152 1029 A 3 LEU HBx A 3 LEU HDx% 1.0 1.640 2.968 1153 1030 A 3 LEU HBx A 3 LEU HDy% 1.0 1.851 3.967 1154 1031 A 3 LEU HG A 49 VAL HGx% 1.0 1.836 3.870 1155 1032 A 3 LEU HG A 3 LEU HBy 1.0 1.855 3.991 1156 1033 A 3 LEU HDy% A 49 VAL HB 1.0 1.898 4.292 1157 1034 A 3 LEU HDx% A 49 VAL HB 1.0 1.850 3.956 1158 1035 A 4 HIS HA A 4 HIS H 1.0 1.938 4.652 1159 1036 A 4 HIS HBy A 4 HIS H 1.0 1.953 4.815 1160 1037 A 3 LEU HBx A 4 HIS H 1.0 1.848 3.944 1161 1038 A 49 VAL HGx% A 4 HIS H 1.0 1.912 4.414 1162 1039 A 51 VAL HGx% A 4 HIS H 1.0 1.912 4.414 1163 1040 A 51 VAL HGx% A 5 TYR HDy 1.0 1.896 4.280 1164 1040 A 51 VAL HGx% A 5 TYR HDx 1.0 1.896 4.280 1165 1041 A 6 TYR HDx A 4 HIS HBy 1.0 1.886 4.208 1166 1041 A 6 TYR HDy A 4 HIS HBy 1.0 1.886 4.208 1167 1042 A 5 TYR H A 4 HIS HBx 1.0 1.998 5.744 1168 1043 A 50 HIS H A 4 HIS HBx 1.0 1.993 6.493 1169 1044 A 51 VAL H A 4 HIS HBy 1.0 1.997 5.717 1170 1045 A 5 TYR H A 5 TYR HBx 1.0 1.876 4.136 1171 1046 A 14 VAL HGy% A 5 TYR HBx 1.0 1.944 4.716 1172 1047 A 14 VAL HGx% A 5 TYR HBy 1.0 1.946 4.734 1173 1048 A 53 THR HG2% A 5 TYR HBx 1.0 1.913 4.419 1174 1049 A 5 TYR HBy A 5 TYR HBx 1.0 1.817 3.767 1175 1050 A 14 VAL HGy% A 5 TYR HEy 1.0 1.954 4.842 1176 1050 A 14 VAL HGy% A 5 TYR HEx 1.0 1.954 4.842 1177 1051 A 4 HIS HBx A 4 HIS HD2 1.0 1.860 4.022 1178 1052 A 67 HIS HBy A 67 HIS HD2 1.0 1.934 4.608 1179 1053 A 67 HIS HBx A 67 HIS HD2 1.0 1.980 5.232 1180 1054 A 4 HIS HBy A 4 HIS HD2 1.0 1.976 5.136 1181 1055 A 66 PRO HGy A 67 HIS HD2 1.0 1.995 5.601 1182 1056 A 66 PRO HBy A 67 HIS HD2 1.0 1.978 5.190 1183 1057 A 50 HIS HBy A 50 HIS HD2 1.0 1.931 4.585 1184 1058 A 52 LEU HDy% A 50 HIS HD2 1.0 1.906 4.352 1185 1059 A 50 HIS HD2 A 52 LEU HDx% 1.0 1.975 5.125 1186 1060 A 2 ALA H A 1 MET HBx 1.0 1.864 4.048 1187 1061 A 17 LEU HDy% A 18 GLU HGy 1.0 1.961 4.933 1188 1062 A 17 LEU HDx% A 18 GLU HGy 1.0 1.974 5.112 1189 1063 A 37 ARG HBx A 37 ARG HGx 1.0 1.756 3.452 1190 1064 A 62 LEU HA A 63 ASP H 1.0 1.792 3.626 1191 1065 A 43 TYR HA A 44 LYS H 1.0 1.739 3.369 1192 1066 A 15 GLY H A 14 VAL HB 1.0 1.901 4.317 1193 1067 A 32 LEU H A 32 LEU HBx 1.0 1.901 4.317 1194 1068 A 35 GLU H A 35 GLU HBy 1.0 1.815 3.753 1195 1069 A 30 GLN HGy A 31 HIS H 1.0 1.894 4.266 1196 1070 A 30 GLN HBy A 31 HIS H 1.0 1.846 3.934 1197 1071 A 30 GLN H A 30 GLN HBx 1.0 1.880 4.158 1198 1072 A 37 ARG HBx A 38 ASN H 1.0 1.873 4.107 1199 1073 A 37 ARG HBy A 38 ASN H 1.0 1.836 3.872 1200 1074 A 37 ARG H A 34 ASN HA 1.0 1.923 4.503 1201 1075 A 11 GLY HAy A 12 VAL H 1.0 1.974 5.116 1202 1076 A 11 GLY HAx A 12 VAL H 1.0 1.970 5.062 1203 1077 A 4 HIS HA A 4 HIS HD2 1.0 1.981 5.237 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 1 MET N A 1 MET CA A 1 MET C A 2 ALA N 1.0 102.75 174.79 PSI 2 2 A 0 SER C A 1 MET N A 1 MET CA A 1 MET C 1.0 -149.90 -16.30 PHI 3 3 A 3 LEU N A 3 LEU CA A 3 LEU C A 4 HIS N 1.0 100.52 154.14 PSI 4 4 A 2 ALA C A 3 LEU N A 3 LEU CA A 3 LEU C 1.0 -143.30 -68.60 PHI 5 5 A 4 HIS N A 4 HIS CA A 4 HIS C A 5 TYR N 1.0 124.92 161.40 PSI 6 6 A 3 LEU C A 4 HIS N A 4 HIS CA A 4 HIS C 1.0 -177.13 -78.63 PHI 7 7 A 5 TYR N A 5 TYR CA A 5 TYR C A 6 TYR N 1.0 108.21 153.53 PSI 8 8 A 4 HIS C A 5 TYR N A 5 TYR CA A 5 TYR C 1.0 -149.95 -82.73 PHI 9 9 A 6 TYR N A 6 TYR CA A 6 TYR C A 7 CYS N 1.0 115.65 177.07 PSI 10 10 A 5 TYR C A 6 TYR N A 6 TYR CA A 6 TYR C 1.0 -151.55 -112.49 PHI 11 11 A 7 CYS N A 7 CYS CA A 7 CYS C A 8 ARG N 1.0 107.81 146.99 PSI 12 12 A 6 TYR C A 7 CYS N A 7 CYS CA A 7 CYS C 1.0 -158.69 -73.91 PHI 13 13 A 8 ARG N A 8 ARG CA A 8 ARG C A 9 HIS N 1.0 108.88 149.18 PSI 14 14 A 7 CYS C A 8 ARG N A 8 ARG CA A 8 ARG C 1.0 -92.80 -50.20 PHI 15 15 A 10 CYS N A 10 CYS CA A 10 CYS C A 11 GLY N 1.0 -43.41 21.87 PSI 16 16 A 9 HIS C A 10 CYS N A 10 CYS CA A 10 CYS C 1.0 -127.65 -70.91 PHI 17 17 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 VAL N 1.0 95.76 159.76 PSI 18 18 A 12 VAL C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -112.32 -58.86 PHI 19 19 A 14 VAL N A 14 VAL CA A 14 VAL C A 15 GLY N 1.0 -74.60 12.28 PSI 20 20 A 13 LYS C A 14 VAL N A 14 VAL CA A 14 VAL C 1.0 -143.53 -49.71 PHI 21 21 A 25 ASP N A 25 ASP CA A 25 ASP C A 26 SER N 1.0 -72.82 0.88 PSI 22 22 A 24 THR C A 25 ASP N A 25 ASP CA A 25 ASP C 1.0 -95.60 -39.90 PHI 23 23 A 34 ASN N A 34 ASN CA A 34 ASN C A 35 GLU N 1.0 -68.50 9.04 PSI 24 24 A 33 THR C A 34 ASN N A 34 ASN CA A 34 ASN C 1.0 -101.26 -27.40 PHI 25 25 A 35 GLU N A 35 GLU CA A 35 GLU C A 36 GLU N 1.0 -54.65 -26.37 PSI 26 26 A 34 ASN C A 35 GLU N A 35 GLU CA A 35 GLU C 1.0 -76.75 -50.55 PHI 27 27 A 36 GLU N A 36 GLU CA A 36 GLU C A 37 ARG N 1.0 -50.71 -27.55 PSI 28 28 A 35 GLU C A 36 GLU N A 36 GLU CA A 36 GLU C 1.0 -78.11 -52.19 PHI 29 29 A 37 ARG N A 37 ARG CA A 37 ARG C A 38 ASN N 1.0 -61.60 -7.44 PSI 30 30 A 36 GLU C A 37 ARG N A 37 ARG CA A 37 ARG C 1.0 -96.82 -37.80 PHI 31 31 A 38 ASN N A 38 ASN CA A 38 ASN C A 39 ASP N 1.0 -59.67 -14.07 PSI 32 32 A 37 ARG C A 38 ASN N A 38 ASN CA A 38 ASN C 1.0 -77.62 -51.08 PHI 33 33 A 39 ASP N A 39 ASP CA A 39 ASP C A 40 MET N 1.0 -57.69 -13.55 PSI 34 34 A 38 ASN C A 39 ASP N A 39 ASP CA A 39 ASP C 1.0 -78.13 -53.01 PHI 35 35 A 40 MET N A 40 MET CA A 40 MET C A 41 ILE N 1.0 -43.18 21.72 PSI 36 36 A 39 ASP C A 40 MET N A 40 MET CA A 40 MET C 1.0 -121.32 -64.54 PHI 37 37 A 44 LYS N A 44 LYS CA A 44 LYS C A 45 GLU N 1.0 82.69 182.33 PSI 38 38 A 43 TYR C A 44 LYS N A 44 LYS CA A 44 LYS C 1.0 -156.04 -36.40 PHI 39 39 A 45 GLU N A 45 GLU CA A 45 GLU C A 46 ASN N 1.0 -53.47 -11.73 PSI 40 40 A 44 LYS C A 45 GLU N A 45 GLU CA A 45 GLU C 1.0 -73.87 -47.05 PHI 41 41 A 46 ASN N A 46 ASN CA A 46 ASN C A 47 GLY N 1.0 -20.00 18.44 PSI 42 42 A 45 GLU C A 46 ASN N A 46 ASN CA A 46 ASN C 1.0 -109.04 -57.08 PHI 43 43 A 47 GLY N A 47 GLY CA A 47 GLY C A 48 ASP N 1.0 -33.34 25.74 PSI 44 44 A 46 ASN C A 47 GLY N A 47 GLY CA A 47 GLY C 1.0 72.86 105.62 PHI 45 45 A 49 VAL N A 49 VAL CA A 49 VAL C A 50 HIS N 1.0 95.22 171.92 PSI 46 46 A 48 ASP C A 49 VAL N A 49 VAL CA A 49 VAL C 1.0 -153.42 -37.68 PHI 47 47 A 50 HIS N A 50 HIS CA A 50 HIS C A 51 VAL N 1.0 92.75 159.07 PSI 48 48 A 49 VAL C A 50 HIS N A 50 HIS CA A 50 HIS C 1.0 -136.62 -74.96 PHI 49 49 A 51 VAL N A 51 VAL CA A 51 VAL C A 52 LEU N 1.0 122.10 143.04 PSI 50 50 A 50 HIS C A 51 VAL N A 51 VAL CA A 51 VAL C 1.0 -137.80 -78.60 PHI 51 51 A 52 LEU N A 52 LEU CA A 52 LEU C A 53 THR N 1.0 109.27 135.87 PSI 52 52 A 51 VAL C A 52 LEU N A 52 LEU CA A 52 LEU C 1.0 -134.24 -79.28 PHI 53 53 A 53 THR N A 53 THR CA A 53 THR C A 54 ILE N 1.0 99.25 188.23 PSI 54 54 A 52 LEU C A 53 THR N A 53 THR CA A 53 THR C 1.0 -157.28 -73.50 PHI 55 55 A 54 ILE N A 54 ILE CA A 54 ILE C A 55 CYS N 1.0 108.97 136.25 PSI 56 56 A 53 THR C A 54 ILE N A 54 ILE CA A 54 ILE C 1.0 -137.17 -87.49 PHI 57 57 A 55 CYS N A 55 CYS CA A 55 CYS C A 56 GLU N 1.0 147.10 186.78 PSI 58 58 A 54 ILE C A 55 CYS N A 55 CYS CA A 55 CYS C 1.0 -132.38 -43.20 PHI 59 59 A 57 ASP N A 57 ASP CA A 57 ASP C A 58 CYS N 1.0 -49.54 -28.52 PSI 60 60 A 56 GLU C A 57 ASP N A 57 ASP CA A 57 ASP C 1.0 -81.80 -51.84 PHI 61 61 A 58 CYS N A 58 CYS CA A 58 CYS C A 59 GLN N 1.0 -52.73 -35.49 PSI 62 62 A 57 ASP C A 58 CYS N A 58 CYS CA A 58 CYS C 1.0 -73.95 -58.11 PHI 63 63 A 59 GLN N A 59 GLN CA A 59 GLN C A 60 GLU N 1.0 -46.97 -35.97 PSI 64 64 A 58 CYS C A 59 GLN N A 59 GLN CA A 59 GLN C 1.0 -73.40 -53.00 PHI 65 65 A 60 GLU N A 60 GLU CA A 60 GLU C A 61 ALA N 1.0 -55.18 -30.76 PSI 66 66 A 59 GLN C A 60 GLU N A 60 GLU CA A 60 GLU C 1.0 -75.80 -55.34 PHI 67 67 A 61 ALA N A 61 ALA CA A 61 ALA C A 62 LEU N 1.0 -46.29 -34.13 PSI 68 68 A 60 GLU C A 61 ALA N A 61 ALA CA A 61 ALA C 1.0 -72.16 -53.86 PHI 69 69 A 62 LEU N A 62 LEU CA A 62 LEU C A 63 ASP N 1.0 -58.22 -21.10 PSI 70 70 A 61 ALA C A 62 LEU N A 62 LEU CA A 62 LEU C 1.0 -86.54 -45.48 PHI 71 71 A 63 ASP N A 63 ASP CA A 63 ASP C A 64 ARG N 1.0 -55.93 -15.65 PSI 72 72 A 62 LEU C A 63 ASP N A 63 ASP CA A 63 ASP C 1.0 -72.61 -51.29 PHI stop_ save_