data_nef_c17609_2lce 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 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 40 HIS NE2 2 1 ZN ZN 1 68 HIS NE2 2 2 ZN ZN 1 64 HIS NE2 2 2 ZN ZN 1 36 HIS NE2 2 1 ZN ZN 1 23 CYS SG 2 1 ZN ZN 1 20 CYS SG 2 1 ZN ZN 1 51 CYS SG 2 2 ZN ZN 1 48 CYS SG 2 2 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 MET start . . 2 A 2 GLY middle . false 3 A 3 HIS middle . . 4 A 4 HIS middle . . 5 A 5 HIS middle . . 6 A 6 HIS middle . . 7 A 7 HIS middle . . 8 A 8 HIS middle . . 9 A 9 SER middle . . 10 A 10 HIS middle . . 11 A 11 MET middle . . 12 A 12 THR middle . . 13 A 13 HIS middle . . 14 A 14 SER middle . . 15 A 15 ASP middle . . 16 A 16 LYS middle . . 17 A 17 PRO middle . false 18 A 18 TYR middle . . 19 A 19 LYS middle . . 20 A 20 CYS middle -HG . 21 A 21 ASP middle . . 22 A 22 ARG middle . . 23 A 23 CYS middle -HG . 24 A 24 GLN middle . . 25 A 25 ALA middle . . 26 A 26 SER middle . . 27 A 27 PHE middle . . 28 A 28 ARG middle . . 29 A 29 TYR middle . . 30 A 30 LYS middle . . 31 A 31 GLY middle . false 32 A 32 ASN middle . . 33 A 33 LEU middle . . 34 A 34 ALA middle . . 35 A 35 SER middle . . 36 A 36 HIS middle -HE2 . 37 A 37 LYS middle . . 38 A 38 THR middle . . 39 A 39 VAL middle . . 40 A 40 HIS middle -HE2 . 41 A 41 THR middle . . 42 A 42 GLY middle . false 43 A 43 GLU middle . . 44 A 44 LYS middle . . 45 A 45 PRO middle . false 46 A 46 TYR middle . . 47 A 47 ARG middle . . 48 A 48 CYS middle -HG . 49 A 49 ASN middle . . 50 A 50 ILE middle . . 51 A 51 CYS middle -HG . 52 A 52 GLY middle . false 53 A 53 ALA middle . . 54 A 54 GLN middle . . 55 A 55 PHE middle . . 56 A 56 ASN middle . . 57 A 57 ARG middle . . 58 A 58 PRO middle . false 59 A 59 ALA middle . . 60 A 60 ASN middle . . 61 A 61 LEU middle . . 62 A 62 LYS middle . . 63 A 63 THR middle . . 64 A 64 HIS middle -HE2 . 65 A 65 THR middle . . 66 A 66 ARG middle . . 67 A 67 ILE middle . . 68 A 68 HIS middle -HE2 . 69 A 69 SER middle . . 70 A 70 GLY middle . false 71 A 71 GLU middle . . 72 A 72 LYS middle . . 73 A 73 PRO middle . false 74 A 74 TYR end . . 75 B 1 ZN . . . 76 B 2 ZN . . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 15 ASP H H 1 8.404 0.007 A 15 ASP HA H 1 4.469 0.008 A 15 ASP HBx H 1 2.589 0.003 A 15 ASP HBy H 1 2.589 0.003 A 15 ASP C C 13 175.899 0.021 A 15 ASP CA C 13 54.627 0.070 A 15 ASP CB C 13 41.107 0.051 A 15 ASP N N 15 122.498 0.037 A 16 LYS H H 1 7.904 0.009 A 16 LYS HA H 1 4.380 0.004 A 16 LYS HBy H 1 1.484 0.005 A 16 LYS HBx H 1 1.268 0.003 A 16 LYS HDx H 1 1.419 0.001 A 16 LYS HDy H 1 1.419 0.001 A 16 LYS HEx H 1 2.830 0.000 A 16 LYS HEy H 1 2.830 0.000 A 16 LYS HGy H 1 1.257 0.005 A 16 LYS HGx H 1 1.008 0.003 A 16 LYS C C 13 174.366 0.000 A 16 LYS CA C 13 53.950 0.073 A 16 LYS CB C 13 32.823 0.058 A 16 LYS CD C 13 29.532 0.053 A 16 LYS CG C 13 24.992 0.038 A 16 LYS N N 15 119.964 0.034 A 17 PRO HA H 1 4.162 0.002 A 17 PRO HBy H 1 1.959 0.007 A 17 PRO HBx H 1 1.161 0.006 A 17 PRO HDx H 1 3.554 0.014 A 17 PRO HDy H 1 3.554 0.014 A 17 PRO HGy H 1 1.745 0.001 A 17 PRO HGx H 1 1.442 0.004 A 17 PRO C C 13 177.033 0.000 A 17 PRO CA C 13 63.853 0.041 A 17 PRO CB C 13 32.421 0.045 A 17 PRO CD C 13 50.304 0.057 A 17 PRO CG C 13 26.513 0.120 A 18 TYR H H 1 7.785 0.004 A 18 TYR HA H 1 4.632 0.003 A 18 TYR HBx H 1 2.901 0.003 A 18 TYR HBy H 1 2.901 0.003 A 18 TYR HDx H 1 6.968 0.010 A 18 TYR HEx H 1 6.903 0.005 A 18 TYR C C 13 174.841 0.011 A 18 TYR CA C 13 57.788 0.038 A 18 TYR CB C 13 37.863 0.037 A 18 TYR CDx C 13 131.206 0.000 A 18 TYR CEx C 13 116.514 0.000 A 18 TYR N N 15 118.093 0.023 A 19 LYS H H 1 8.523 0.004 A 19 LYS HA H 1 4.726 0.010 A 19 LYS HBy H 1 1.841 0.011 A 19 LYS HBx H 1 1.630 0.010 A 19 LYS HDx H 1 1.599 0.000 A 19 LYS HDy H 1 1.599 0.000 A 19 LYS HEx H 1 2.942 0.010 A 19 LYS HEy H 1 2.942 0.010 A 19 LYS HGx H 1 1.331 0.000 A 19 LYS HGy H 1 1.331 0.000 A 19 LYS C C 13 175.862 0.027 A 19 LYS CA C 13 55.468 0.081 A 19 LYS CB C 13 34.655 0.047 A 19 LYS CD C 13 29.043 0.038 A 19 LYS CG C 13 24.340 0.000 A 19 LYS N N 15 125.715 0.019 A 20 CYS H H 1 8.789 0.003 A 20 CYS HA H 1 4.257 0.003 A 20 CYS HBy H 1 3.380 0.002 A 20 CYS HBx H 1 2.721 0.006 A 20 CYS C C 13 174.983 0.033 A 20 CYS CA C 13 61.218 0.113 A 20 CYS CB C 13 29.806 0.029 A 20 CYS N N 15 127.164 0.020 A 21 ASP H H 1 8.735 0.006 A 21 ASP HA H 1 4.625 0.005 A 21 ASP HBx H 1 2.802 0.020 A 21 ASP HBy H 1 2.802 0.020 A 21 ASP C C 13 177.040 0.003 A 21 ASP CA C 13 54.889 0.086 A 21 ASP CB C 13 40.174 0.031 A 21 ASP N N 15 126.092 0.029 A 22 ARG H H 1 9.486 0.007 A 22 ARG HA H 1 4.374 0.004 A 22 ARG HBy H 1 1.241 0.004 A 22 ARG HBx H 1 0.737 0.007 A 22 ARG HDx H 1 2.923 0.006 A 22 ARG HDy H 1 2.923 0.006 A 22 ARG HGx H 1 1.343 0.008 A 22 ARG HGy H 1 1.343 0.008 A 22 ARG C C 13 176.039 0.014 A 22 ARG CA C 13 55.705 0.065 A 22 ARG CB C 13 30.669 0.063 A 22 ARG CD C 13 42.440 0.130 A 22 ARG CG C 13 26.631 0.095 A 22 ARG N N 15 122.278 0.025 A 23 CYS H H 1 7.898 0.002 A 23 CYS HA H 1 4.962 0.005 A 23 CYS HBy H 1 3.380 0.002 A 23 CYS HBx H 1 3.070 0.004 A 23 CYS C C 13 174.258 0.029 A 23 CYS CA C 13 58.485 0.009 A 23 CYS CB C 13 30.677 0.057 A 23 CYS N N 15 118.667 0.029 A 24 GLN H H 1 8.103 0.005 A 24 GLN HA H 1 4.274 0.002 A 24 GLN HBx H 1 2.222 0.000 A 24 GLN HBy H 1 2.222 0.000 A 24 GLN HE2y H 1 6.803 0.002 A 24 GLN HGx H 1 2.312 0.022 A 24 GLN HGy H 1 2.312 0.022 A 24 GLN C C 13 175.721 0.024 A 24 GLN CA C 13 56.986 0.034 A 24 GLN CB C 13 27.885 0.023 A 24 GLN CG C 13 34.147 0.026 A 24 GLN N N 15 114.525 0.025 A 24 GLN NE2 N 15 113.081 0.029 A 25 ALA H H 1 8.731 0.003 A 25 ALA HA H 1 3.992 0.002 A 25 ALA HB% H 1 0.916 0.003 A 25 ALA C C 13 175.870 0.027 A 25 ALA CA C 13 53.918 0.020 A 25 ALA CB C 13 19.800 0.050 A 25 ALA N N 15 126.739 0.060 A 26 SER H H 1 7.485 0.005 A 26 SER HA H 1 5.090 0.005 A 26 SER HBy H 1 3.640 0.001 A 26 SER HBx H 1 3.534 0.000 A 26 SER C C 13 172.950 0.037 A 26 SER CA C 13 56.986 0.142 A 26 SER CB C 13 66.164 0.027 A 26 SER N N 15 113.177 0.038 A 27 PHE H H 1 8.714 0.003 A 27 PHE HA H 1 4.752 0.004 A 27 PHE HBy H 1 3.644 0.004 A 27 PHE HBx H 1 2.593 0.011 A 27 PHE HDx H 1 7.304 0.010 A 27 PHE HEx H 1 6.867 0.009 A 27 PHE C C 13 174.873 0.022 A 27 PHE CA C 13 57.928 0.105 A 27 PHE CB C 13 43.733 0.067 A 27 PHE CDx C 13 130.315 0.054 A 27 PHE CEx C 13 128.926 0.016 A 27 PHE N N 15 116.809 0.018 A 28 ARG H H 1 9.206 0.004 A 28 ARG HA H 1 4.294 0.010 A 28 ARG HBx H 1 1.558 0.000 A 28 ARG HBy H 1 1.558 0.000 A 28 ARG HDx H 1 3.069 0.006 A 28 ARG HDy H 1 3.069 0.006 A 28 ARG C C 13 175.605 0.022 A 28 ARG CA C 13 58.219 0.085 A 28 ARG CB C 13 31.386 0.047 A 28 ARG CD C 13 43.505 0.063 A 28 ARG CG C 13 27.586 0.000 A 28 ARG N N 15 122.671 0.022 A 29 TYR H H 1 7.463 0.004 A 29 TYR HA H 1 5.164 0.008 A 29 TYR HBy H 1 3.296 0.004 A 29 TYR HBx H 1 2.783 0.010 A 29 TYR HDx H 1 7.342 0.004 A 29 TYR HEx H 1 6.888 0.002 A 29 TYR C C 13 177.222 0.008 A 29 TYR CA C 13 55.672 0.034 A 29 TYR CB C 13 40.497 0.072 A 29 TYR CDx C 13 131.811 0.023 A 29 TYR CEx C 13 116.080 0.000 A 29 TYR N N 15 113.672 0.037 A 30 LYS H H 1 8.788 0.003 A 30 LYS HA H 1 2.936 0.002 A 30 LYS HBx H 1 1.264 0.000 A 30 LYS HBy H 1 1.264 0.000 A 30 LYS HGx H 1 1.341 0.005 A 30 LYS HGy H 1 1.341 0.005 A 30 LYS C C 13 179.721 0.004 A 30 LYS CA C 13 59.893 0.058 A 30 LYS CB C 13 32.142 0.059 A 30 LYS CE C 13 41.647 0.000 A 30 LYS CG C 13 24.589 0.049 A 30 LYS N N 15 127.186 0.020 A 31 GLY H H 1 8.818 0.004 A 31 GLY HAx H 1 3.784 0.018 A 31 GLY HAy H 1 3.784 0.018 A 31 GLY C C 13 176.580 0.000 A 31 GLY CA C 13 46.681 0.021 A 31 GLY N N 15 107.154 0.173 A 32 ASN H H 1 7.087 0.003 A 32 ASN HA H 1 4.545 0.002 A 32 ASN HBx H 1 2.897 0.000 A 32 ASN HBy H 1 2.897 0.000 A 32 ASN C C 13 177.744 0.031 A 32 ASN CA C 13 54.837 0.016 A 32 ASN CB C 13 38.138 0.033 A 32 ASN N N 15 118.560 0.023 A 33 LEU H H 1 6.861 0.002 A 33 LEU HA H 1 3.352 0.003 A 33 LEU HBy H 1 1.922 0.004 A 33 LEU HBx H 1 1.291 0.004 A 33 LEU HDx% H 1 1.027 0.012 A 33 LEU HG H 1 0.998 0.013 A 33 LEU C C 13 177.655 0.000 A 33 LEU CA C 13 57.670 0.069 A 33 LEU CB C 13 39.938 0.054 A 33 LEU CDx C 13 22.344 0.079 A 33 LEU CG C 13 26.543 0.044 A 33 LEU N N 15 122.010 0.013 A 34 ALA H H 1 7.764 0.004 A 34 ALA HA H 1 3.949 0.004 A 34 ALA HB% H 1 1.403 0.003 A 34 ALA C C 13 180.957 0.000 A 34 ALA CA C 13 55.633 0.123 A 34 ALA CB C 13 17.747 0.026 A 34 ALA N N 15 120.913 0.016 A 35 SER H H 1 7.666 0.006 A 35 SER HA H 1 4.194 0.002 A 35 SER HBx H 1 3.841 0.003 A 35 SER HBy H 1 3.841 0.003 A 35 SER C C 13 176.972 0.001 A 35 SER CA C 13 60.931 0.070 A 35 SER CB C 13 62.681 0.072 A 35 SER N N 15 111.625 0.022 A 36 HIS H H 1 7.511 0.003 A 36 HIS HA H 1 4.212 0.003 A 36 HIS HBy H 1 3.215 0.003 A 36 HIS HBx H 1 2.958 0.002 A 36 HIS HD2 H 1 7.031 0.013 A 36 HIS HE1 H 1 7.877 0.003 A 36 HIS C C 13 176.403 0.016 A 36 HIS CA C 13 59.077 0.066 A 36 HIS CB C 13 28.967 0.042 A 36 HIS CD2 C 13 125.026 0.016 A 36 HIS N N 15 121.887 0.032 A 36 HIS ND1 N 15 172.789 0.000 A 36 HIS NE2 N 15 216.832 0.015 A 37 LYS H H 1 7.984 0.003 A 37 LYS HA H 1 3.668 0.008 A 37 LYS HBx H 1 1.964 0.000 A 37 LYS HBy H 1 1.964 0.000 A 37 LYS HDx H 1 1.810 0.004 A 37 LYS HDy H 1 1.810 0.004 A 37 LYS C C 13 178.603 0.005 A 37 LYS CA C 13 60.433 0.083 A 37 LYS CB C 13 32.182 0.049 A 37 LYS CD C 13 29.668 0.052 A 37 LYS CE C 13 42.082 0.000 A 37 LYS CG C 13 26.111 0.000 A 37 LYS N N 15 115.031 0.014 A 38 THR H H 1 7.196 0.004 A 38 THR HA H 1 4.064 0.008 A 38 THR HB H 1 4.205 0.000 A 38 THR HG2% H 1 1.290 0.003 A 38 THR C C 13 177.072 0.015 A 38 THR CA C 13 64.604 0.054 A 38 THR CB C 13 68.949 0.167 A 38 THR CG2 C 13 21.810 0.000 A 38 THR N N 15 110.706 0.016 A 39 VAL H H 1 7.874 0.002 A 39 VAL HA H 1 3.921 0.002 A 39 VAL HB H 1 1.884 0.002 A 39 VAL HGx% H 1 0.537 0.014 A 39 VAL C C 13 177.400 0.034 A 39 VAL CA C 13 64.003 0.042 A 39 VAL CB C 13 31.230 0.108 A 39 VAL CGx C 13 19.654 0.125 A 39 VAL N N 15 119.621 0.033 A 40 HIS H H 1 7.232 0.002 A 40 HIS HA H 1 4.812 0.012 A 40 HIS HBx H 1 3.196 0.002 A 40 HIS HBy H 1 3.196 0.002 A 40 HIS HD2 H 1 6.588 0.005 A 40 HIS HE1 H 1 7.960 0.001 A 40 HIS C C 13 175.871 0.021 A 40 HIS CA C 13 55.084 0.020 A 40 HIS CB C 13 28.626 0.021 A 40 HIS CD2 C 13 125.510 0.005 A 40 HIS N N 15 116.554 0.033 A 40 HIS ND1 N 15 171.366 0.000 A 40 HIS NE2 N 15 213.636 0.006 A 41 THR H H 1 7.676 0.002 A 41 THR HA H 1 4.241 0.000 A 41 THR HB H 1 4.250 0.001 A 41 THR HG2% H 1 1.219 0.006 A 41 THR C C 13 175.620 0.002 A 41 THR CA C 13 63.147 0.041 A 41 THR CB C 13 69.723 0.132 A 41 THR CG2 C 13 21.821 0.000 A 41 THR N N 15 113.515 0.017 A 42 GLY H H 1 8.447 0.006 A 42 GLY HAx H 1 3.960 0.000 A 42 GLY HAy H 1 3.960 0.000 A 42 GLY C C 13 174.464 0.000 A 42 GLY CA C 13 45.316 0.024 A 42 GLY N N 15 111.378 0.077 A 43 GLU H H 1 7.928 0.005 A 43 GLU HA H 1 4.333 0.001 A 43 GLU HBx H 1 1.950 0.000 A 43 GLU HBy H 1 1.950 0.000 A 43 GLU C C 13 175.408 0.000 A 43 GLU CA C 13 55.866 0.028 A 43 GLU CB C 13 30.722 0.014 A 43 GLU CG C 13 36.216 0.000 A 43 GLU N N 15 120.253 0.016 A 44 LYS H H 1 8.095 0.001 A 44 LYS CA C 13 54.717 0.000 A 44 LYS CB C 13 32.695 0.000 A 44 LYS N N 15 121.788 0.021 A 45 PRO HA H 1 4.253 0.002 A 45 PRO HBy H 1 2.029 0.001 A 45 PRO HBx H 1 1.258 0.002 A 45 PRO HDx H 1 3.694 0.003 A 45 PRO HDy H 1 3.694 0.003 A 45 PRO HGx H 1 1.826 0.000 A 45 PRO HGy H 1 1.826 0.000 A 45 PRO C C 13 176.629 0.000 A 45 PRO CA C 13 63.689 0.045 A 45 PRO CB C 13 32.188 0.065 A 45 PRO CD C 13 50.529 0.059 A 45 PRO CG C 13 27.091 0.084 A 46 TYR H H 1 7.876 0.003 A 46 TYR HA H 1 4.629 0.001 A 46 TYR HBx H 1 2.879 0.000 A 46 TYR HBy H 1 2.879 0.000 A 46 TYR HDy H 1 7.000 0.009 A 46 TYR HEy H 1 6.841 0.005 A 46 TYR C C 13 174.693 0.000 A 46 TYR CA C 13 57.568 0.034 A 46 TYR CB C 13 38.628 0.028 A 46 TYR CDy C 13 131.199 0.006 A 46 TYR CEy C 13 116.291 0.023 A 46 TYR N N 15 117.892 0.024 A 47 ARG H H 1 8.647 0.002 A 47 ARG HA H 1 5.170 0.009 A 47 ARG HBx H 1 1.607 0.007 A 47 ARG HBy H 1 1.607 0.007 A 47 ARG HDx H 1 3.080 0.000 A 47 ARG HDy H 1 3.080 0.000 A 47 ARG HGx H 1 1.323 0.007 A 47 ARG HGy H 1 1.323 0.007 A 47 ARG C C 13 175.021 0.000 A 47 ARG CA C 13 54.435 0.023 A 47 ARG CB C 13 33.811 0.020 A 47 ARG CD C 13 43.591 0.059 A 47 ARG CG C 13 27.440 0.135 A 47 ARG N N 15 124.048 0.023 A 48 CYS H H 1 9.393 0.005 A 48 CYS HA H 1 4.505 0.003 A 48 CYS HBy H 1 3.336 0.003 A 48 CYS HBx H 1 2.781 0.005 A 48 CYS C C 13 177.178 0.010 A 48 CYS CA C 13 59.254 0.015 A 48 CYS CB C 13 29.834 0.024 A 48 CYS N N 15 127.083 0.019 A 49 ASN H H 1 9.276 0.002 A 49 ASN HA H 1 4.544 0.006 A 49 ASN HBx H 1 2.887 0.000 A 49 ASN HBy H 1 2.887 0.000 A 49 ASN C C 13 175.326 0.026 A 49 ASN CA C 13 55.092 0.014 A 49 ASN CB C 13 38.076 0.034 A 49 ASN N N 15 129.748 0.025 A 50 ILE H H 1 8.760 0.004 A 50 ILE HA H 1 3.880 0.003 A 50 ILE HB H 1 1.100 0.008 A 50 ILE HD1% H 1 0.669 0.004 A 50 ILE HG1y H 1 1.374 0.002 A 50 ILE HG1x H 1 1.070 0.000 A 50 ILE HG2% H 1 0.270 0.006 A 50 ILE C C 13 177.253 0.008 A 50 ILE CA C 13 63.299 0.047 A 50 ILE CB C 13 38.369 0.047 A 50 ILE CD1 C 13 12.115 0.163 A 50 ILE CG1 C 13 27.995 0.063 A 50 ILE CG2 C 13 16.316 0.133 A 50 ILE N N 15 122.029 0.014 A 51 CYS H H 1 8.111 0.003 A 51 CYS HA H 1 5.160 0.003 A 51 CYS HBy H 1 3.473 0.006 A 51 CYS HBx H 1 2.767 0.001 A 51 CYS C C 13 176.761 0.019 A 51 CYS CA C 13 58.176 0.006 A 51 CYS CB C 13 33.065 0.023 A 51 CYS N N 15 116.166 0.025 A 52 GLY H H 1 8.008 0.004 A 52 GLY HAy H 1 4.251 0.001 A 52 GLY HAx H 1 3.741 0.003 A 52 GLY C C 13 173.819 0.029 A 52 GLY CA C 13 46.062 0.024 A 52 GLY N N 15 113.330 0.026 A 53 ALA H H 1 8.258 0.004 A 53 ALA HA H 1 3.989 0.003 A 53 ALA HB% H 1 0.940 0.004 A 53 ALA C C 13 175.573 0.024 A 53 ALA CA C 13 53.644 0.011 A 53 ALA CB C 13 19.622 0.057 A 53 ALA N N 15 125.721 0.016 A 54 GLN H H 1 7.835 0.003 A 54 GLN HA H 1 5.010 0.009 A 54 GLN HBy H 1 1.937 0.000 A 54 GLN HBx H 1 1.646 0.004 A 54 GLN HE2y H 1 7.591 0.002 A 54 GLN HE2x H 1 6.839 0.002 A 54 GLN HGy H 1 2.392 0.008 A 54 GLN HGx H 1 2.028 0.009 A 54 GLN C C 13 175.211 0.018 A 54 GLN CA C 13 54.471 0.088 A 54 GLN CB C 13 32.619 0.023 A 54 GLN CG C 13 34.320 0.007 A 54 GLN N N 15 117.667 0.067 A 54 GLN NE2 N 15 111.743 0.014 A 55 PHE H H 1 8.763 0.003 A 55 PHE HA H 1 4.726 0.016 A 55 PHE HBy H 1 3.464 0.002 A 55 PHE HBx H 1 2.517 0.005 A 55 PHE HDx H 1 7.146 0.006 A 55 PHE HEx H 1 6.810 0.003 A 55 PHE C C 13 174.947 0.019 A 55 PHE CA C 13 57.345 0.008 A 55 PHE CB C 13 43.757 0.063 A 55 PHE CDx C 13 130.215 0.031 A 55 PHE CEx C 13 128.983 0.031 A 55 PHE N N 15 117.252 0.019 A 56 ASN H H 1 9.223 0.003 A 56 ASN HA H 1 5.067 0.007 A 56 ASN HBy H 1 3.031 0.007 A 56 ASN HBx H 1 2.958 0.010 A 56 ASN C C 13 175.648 0.027 A 56 ASN CA C 13 54.423 0.067 A 56 ASN CB C 13 40.209 0.045 A 56 ASN N N 15 118.740 0.018 A 57 ARG H H 1 7.615 0.003 A 57 ARG C C 13 175.256 0.000 A 57 ARG CA C 13 52.631 0.000 A 57 ARG CB C 13 31.984 0.000 A 57 ARG N N 15 117.166 0.017 A 58 PRO HA H 1 3.404 0.009 A 58 PRO HBx H 1 1.789 0.003 A 58 PRO HBy H 1 1.789 0.003 A 58 PRO HDx H 1 3.304 0.009 A 58 PRO HDy H 1 3.304 0.009 A 58 PRO HGx H 1 1.505 0.006 A 58 PRO HGy H 1 1.505 0.006 A 58 PRO C C 13 179.653 0.000 A 58 PRO CA C 13 64.768 0.048 A 58 PRO CB C 13 31.171 0.068 A 58 PRO CD C 13 50.627 0.039 A 58 PRO CG C 13 26.681 0.101 A 59 ALA H H 1 8.424 0.005 A 59 ALA HA H 1 3.974 0.004 A 59 ALA HB% H 1 1.314 0.013 A 59 ALA C C 13 179.865 0.000 A 59 ALA CA C 13 55.362 0.117 A 59 ALA CB C 13 18.604 0.072 A 59 ALA N N 15 119.975 0.101 A 60 ASN H H 1 6.942 0.003 A 60 ASN HA H 1 4.419 0.008 A 60 ASN HBx H 1 2.838 0.009 A 60 ASN HBy H 1 2.838 0.009 A 60 ASN HD2x H 1 8.072 0.003 A 60 ASN C C 13 177.665 0.032 A 60 ASN CA C 13 54.997 0.035 A 60 ASN CB C 13 38.143 0.033 A 60 ASN N N 15 113.616 0.022 A 60 ASN ND2 N 15 113.026 0.087 A 61 LEU H H 1 6.704 0.004 A 61 LEU HA H 1 3.199 0.004 A 61 LEU HBy H 1 1.824 0.002 A 61 LEU HBx H 1 1.121 0.004 A 61 LEU HDx% H 1 0.927 0.003 A 61 LEU HG H 1 0.988 0.013 A 61 LEU C C 13 177.719 0.000 A 61 LEU CA C 13 57.523 0.039 A 61 LEU CB C 13 40.416 0.043 A 61 LEU CDx C 13 22.622 0.087 A 61 LEU CG C 13 26.512 0.040 A 61 LEU N N 15 121.595 0.017 A 62 LYS H H 1 7.798 0.002 A 62 LYS HA H 1 3.951 0.007 A 62 LYS HBx H 1 1.812 0.002 A 62 LYS HBy H 1 1.812 0.002 A 62 LYS HDx H 1 1.608 0.000 A 62 LYS HDy H 1 1.608 0.000 A 62 LYS HEx H 1 2.889 0.010 A 62 LYS HEy H 1 2.889 0.010 A 62 LYS HGx H 1 1.359 0.000 A 62 LYS HGy H 1 1.359 0.000 A 62 LYS C C 13 179.937 0.006 A 62 LYS CA C 13 59.883 0.041 A 62 LYS CB C 13 31.844 0.046 A 62 LYS CD C 13 29.120 0.024 A 62 LYS CE C 13 42.118 0.027 A 62 LYS CG C 13 24.804 0.137 A 62 LYS N N 15 120.107 0.017 A 63 THR H H 1 7.893 0.003 A 63 THR HA H 1 3.792 0.005 A 63 THR HB H 1 4.029 0.005 A 63 THR HG2% H 1 1.194 0.003 A 63 THR C C 13 176.793 0.020 A 63 THR CA C 13 66.172 0.065 A 63 THR CB C 13 68.741 0.141 A 63 THR CG2 C 13 22.307 0.076 A 63 THR N N 15 114.829 0.021 A 64 HIS H H 1 7.448 0.003 A 64 HIS HA H 1 4.141 0.008 A 64 HIS HBy H 1 3.200 0.001 A 64 HIS HBx H 1 2.916 0.003 A 64 HIS HD2 H 1 6.912 0.011 A 64 HIS HE1 H 1 7.982 0.001 A 64 HIS C C 13 176.662 0.002 A 64 HIS CA C 13 59.794 0.100 A 64 HIS CB C 13 28.764 0.047 A 64 HIS CD2 C 13 124.880 0.081 A 64 HIS CE1 C 13 138.030 0.018 A 64 HIS N N 15 121.332 0.016 A 64 HIS ND1 N 15 173.393 0.000 A 64 HIS NE2 N 15 214.440 0.000 A 65 THR H H 1 8.265 0.003 A 65 THR HA H 1 3.703 0.003 A 65 THR HB H 1 4.377 0.003 A 65 THR HG2% H 1 1.554 0.007 A 65 THR C C 13 176.285 0.003 A 65 THR CA C 13 66.541 0.039 A 65 THR CB C 13 69.397 0.037 A 65 THR CG2 C 13 22.299 0.096 A 65 THR N N 15 110.185 0.019 A 66 ARG H H 1 7.142 0.005 A 66 ARG HA H 1 4.095 0.011 A 66 ARG HBx H 1 1.848 0.001 A 66 ARG HBy H 1 1.848 0.001 A 66 ARG HDx H 1 3.189 0.002 A 66 ARG HDy H 1 3.189 0.002 A 66 ARG HGx H 1 1.712 0.000 A 66 ARG HGy H 1 1.712 0.000 A 66 ARG C C 13 178.907 0.022 A 66 ARG CA C 13 58.670 0.033 A 66 ARG CB C 13 30.078 0.061 A 66 ARG CD C 13 43.490 0.076 A 66 ARG CG C 13 27.542 0.002 A 66 ARG N N 15 120.442 0.016 A 67 ILE H H 1 7.820 0.004 A 67 ILE HA H 1 3.944 0.004 A 67 ILE HB H 1 1.632 0.003 A 67 ILE HD1% H 1 0.651 0.012 A 67 ILE HG1x H 1 0.847 0.001 A 67 ILE HG1y H 1 0.847 0.001 A 67 ILE HG2% H 1 0.574 0.007 A 67 ILE C C 13 177.818 0.030 A 67 ILE CA C 13 63.421 0.052 A 67 ILE CB C 13 37.661 0.029 A 67 ILE CD1 C 13 14.358 0.187 A 67 ILE CG1 C 13 26.287 0.077 A 67 ILE CG2 C 13 16.258 0.095 A 67 ILE N N 15 116.458 0.016 A 68 HIS H H 1 7.196 0.003 A 68 HIS HA H 1 4.874 0.001 A 68 HIS HBx H 1 3.261 0.000 A 68 HIS HBy H 1 3.261 0.000 A 68 HIS HD2 H 1 6.723 0.004 A 68 HIS HE1 H 1 8.090 0.002 A 68 HIS C C 13 175.815 0.023 A 68 HIS CA C 13 54.938 0.013 A 68 HIS CB C 13 28.698 0.023 A 68 HIS CD2 C 13 125.962 0.024 A 68 HIS CE1 C 13 138.474 0.012 A 68 HIS N N 15 117.281 0.019 A 68 HIS ND1 N 15 171.067 0.000 A 68 HIS NE2 N 15 211.142 0.006 A 69 SER H H 1 7.797 0.002 A 69 SER HA H 1 4.429 0.002 A 69 SER HBx H 1 3.928 0.002 A 69 SER HBy H 1 3.928 0.002 A 69 SER C C 13 175.411 0.023 A 69 SER CA C 13 59.230 0.060 A 69 SER CB C 13 63.908 0.050 A 69 SER N N 15 114.938 0.020 A 70 GLY H H 1 8.336 0.003 A 70 GLY HAx H 1 3.970 0.003 A 70 GLY HAy H 1 3.970 0.003 A 70 GLY C C 13 174.460 0.015 A 70 GLY CA C 13 45.408 0.020 A 70 GLY N N 15 110.823 0.014 A 71 GLU H H 1 8.035 0.002 A 71 GLU HA H 1 4.248 0.003 A 71 GLU HBx H 1 1.954 0.004 A 71 GLU HBy H 1 1.954 0.004 A 71 GLU HGx H 1 2.236 0.004 A 71 GLU HGy H 1 2.236 0.004 A 71 GLU C C 13 176.486 0.016 A 71 GLU CA C 13 56.441 0.032 A 71 GLU CB C 13 30.513 0.070 A 71 GLU CG C 13 36.362 0.016 A 71 GLU N N 15 120.400 0.016 A 72 LYS H H 1 8.324 0.002 A 72 LYS HA H 1 4.547 0.006 A 72 LYS HBx H 1 1.698 0.002 A 72 LYS HBy H 1 1.698 0.002 A 72 LYS HEx H 1 2.968 0.000 A 72 LYS HEy H 1 2.968 0.000 A 72 LYS C C 13 175.014 0.000 A 72 LYS CA C 13 54.084 0.000 A 72 LYS CB C 13 32.744 0.021 A 72 LYS N N 15 123.192 0.022 A 73 PRO HA H 1 4.356 0.006 A 73 PRO HBy H 1 2.146 0.002 A 73 PRO HBx H 1 1.876 0.003 A 73 PRO HDy H 1 3.670 0.000 A 73 PRO HDx H 1 3.599 0.000 A 73 PRO HGx H 1 1.901 0.000 A 73 PRO HGy H 1 1.901 0.000 A 73 PRO C C 13 175.844 0.000 A 73 PRO CA C 13 63.490 0.051 A 73 PRO CB C 13 31.811 0.054 A 73 PRO CD C 13 50.537 0.071 A 73 PRO CG C 13 27.214 0.068 A 74 TYR H H 1 7.441 0.002 A 74 TYR HDx H 1 7.081 0.004 A 74 TYR HEx H 1 6.801 0.001 A 74 TYR CA C 13 58.862 0.000 A 74 TYR CB C 13 39.189 0.029 A 74 TYR CEx C 13 116.053 0.001 A 74 TYR N N 15 123.873 0.015 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 15 ASP HA A 16 LYS H 1.0 1.80 3.77 2 2 A 15 ASP HA A 16 LYS HGy 1.0 1.80 5.46 3 2 A 15 ASP HA A 16 LYS HGx 1.0 1.80 5.46 4 3 A 16 LYS H A 15 ASP H 1.0 1.80 5.00 5 4 A 16 LYS H A 15 ASP HBx 1.0 1.80 4.68 6 4 A 16 LYS H A 15 ASP HBy 1.0 1.80 4.68 7 5 A 16 LYS HA A 16 LYS HDx 1.0 1.80 5.57 8 5 A 16 LYS HA A 16 LYS HDy 1.0 1.80 5.57 9 6 A 16 LYS HA A 17 PRO HDy 1.0 1.80 4.08 10 6 A 16 LYS HA A 17 PRO HDx 1.0 1.80 4.08 11 7 A 16 LYS H A 16 LYS HBx 1.0 1.80 4.18 12 7 A 16 LYS H A 16 LYS HBy 1.0 1.80 4.18 13 8 A 16 LYS H A 16 LYS HGy 1.0 1.80 5.21 14 8 A 16 LYS H A 16 LYS HGx 1.0 1.80 5.21 15 9 A 16 LYS H A 17 PRO HDy 1.0 1.80 4.90 16 9 A 16 LYS H A 17 PRO HDx 1.0 1.80 4.90 17 10 A 16 LYS HBy A 17 PRO HDy 1.0 1.80 5.38 18 10 A 17 PRO HDx A 16 LYS HBx 1.0 1.80 5.38 19 10 A 17 PRO HDx A 16 LYS HBy 1.0 1.80 5.38 20 10 A 16 LYS HBx A 17 PRO HDy 1.0 1.80 5.38 21 11 A 18 TYR H A 16 LYS HBx 1.0 1.80 4.91 22 11 A 16 LYS HBy A 18 TYR H 1.0 1.80 4.91 23 12 A 16 LYS HBy A 26 SER HBy 1.0 1.80 5.73 24 12 A 26 SER HBx A 16 LYS HBx 1.0 1.80 5.73 25 12 A 16 LYS HBy A 26 SER HBx 1.0 1.80 5.73 26 12 A 16 LYS HBx A 26 SER HBy 1.0 1.80 5.73 27 13 A 27 PHE H A 16 LYS HBx 1.0 1.80 4.50 28 13 A 16 LYS HBy A 27 PHE H 1.0 1.80 4.50 29 14 A 28 ARG HA A 16 LYS HBx 1.0 1.80 4.69 30 14 A 16 LYS HBy A 28 ARG HA 1.0 1.80 4.69 31 15 A 16 LYS HEy A 16 LYS HBx 1.0 1.80 5.60 32 15 A 16 LYS HBx A 16 LYS HEx 1.0 1.80 5.60 33 16 A 16 LYS HBy A 16 LYS HEy 1.0 1.80 5.60 34 16 A 16 LYS HBy A 16 LYS HEx 1.0 1.80 5.60 35 17 A 27 PHE H A 16 LYS HDx 1.0 1.80 6.00 36 17 A 16 LYS HDy A 27 PHE H 1.0 1.80 6.00 37 18 A 27 PHE H A 16 LYS HEx 1.0 1.80 5.59 38 18 A 27 PHE H A 16 LYS HEy 1.0 1.80 5.59 39 19 A 28 ARG H A 16 LYS HEx 1.0 1.80 6.00 40 19 A 16 LYS HEy A 28 ARG H 1.0 1.80 6.00 41 20 A 18 TYR H A 16 LYS HGy 1.0 1.80 5.23 42 20 A 16 LYS HGx A 18 TYR H 1.0 1.80 5.23 43 21 A 18 TYR H A 17 PRO HDy 1.0 1.80 4.25 44 21 A 17 PRO HDx A 18 TYR H 1.0 1.80 4.25 45 22 A 18 TYR HD% A 17 PRO HDy 1.0 1.80 5.70 46 22 A 17 PRO HDx A 18 TYR HD% 1.0 1.80 5.70 47 23 A 28 ARG HA A 17 PRO HDy 1.0 1.80 4.35 48 23 A 17 PRO HDx A 28 ARG HA 1.0 1.80 4.35 49 24 A 18 TYR HBy A 17 PRO HDy 1.0 2.44 5.50 50 24 A 17 PRO HDy A 18 TYR HBx 1.0 2.44 5.50 51 25 A 18 TYR HE% A 17 PRO HDy 1.0 2.40 5.20 52 26 A 18 TYR H A 17 PRO HGy 1.0 1.80 4.36 53 26 A 18 TYR H A 17 PRO HGx 1.0 1.80 4.36 54 27 A 18 TYR HD% A 17 PRO HGy 1.0 1.80 4.87 55 27 A 18 TYR HD% A 17 PRO HGx 1.0 1.80 4.87 56 28 A 18 TYR HE% A 17 PRO HGy 1.0 1.80 5.46 57 28 A 18 TYR HE% A 17 PRO HGx 1.0 1.80 5.46 58 29 A 28 ARG HA A 17 PRO HGy 1.0 1.80 4.53 59 29 A 28 ARG HA A 17 PRO HGx 1.0 1.80 4.53 60 30 A 18 TYR HD% A 18 TYR HA 1.0 1.80 4.22 61 31 A 18 TYR HA A 19 LYS H 1.0 1.80 3.37 62 32 A 18 TYR HA A 19 LYS HBy 1.0 1.80 5.21 63 32 A 18 TYR HA A 19 LYS HBx 1.0 1.80 5.21 64 33 A 18 TYR HA A 19 LYS HEx 1.0 1.80 4.89 65 33 A 18 TYR HA A 19 LYS HEy 1.0 1.80 4.89 66 34 A 18 TYR HA A 33 LEU HG 1.0 1.80 4.61 67 35 A 18 TYR H A 18 TYR HD% 1.0 1.80 4.83 68 36 A 18 TYR H A 19 LYS H 1.0 1.80 5.35 69 37 A 18 TYR H A 27 PHE HA 1.0 1.80 5.47 70 38 A 18 TYR H A 27 PHE H 1.0 1.80 4.55 71 39 A 18 TYR H A 27 PHE HBy 1.0 1.80 5.29 72 40 A 18 TYR H A 28 ARG HA 1.0 1.80 5.04 73 41 A 18 TYR H A 29 TYR H 1.0 1.80 5.64 74 42 A 18 TYR HE% A 18 TYR HBx 1.0 1.80 4.38 75 42 A 18 TYR HBy A 18 TYR HE% 1.0 1.80 4.38 76 43 A 18 TYR HBx A 19 LYS HGx 1.0 1.80 5.67 77 43 A 18 TYR HBy A 19 LYS HGx 1.0 1.80 5.67 78 43 A 19 LYS HGy A 18 TYR HBx 1.0 1.80 5.67 79 43 A 18 TYR HBy A 19 LYS HGy 1.0 1.80 5.67 80 44 A 28 ARG H A 18 TYR HBx 1.0 1.80 6.00 81 44 A 28 ARG H A 18 TYR HBy 1.0 1.80 6.00 82 45 A 18 TYR HD% A 27 PHE HBy 1.0 1.80 6.00 83 46 A 28 ARG HA A 18 TYR HD% 1.0 1.80 5.37 84 47 A 18 TYR HE% A 29 TYR HA 1.0 1.80 4.82 85 48 A 18 TYR HE% A 30 LYS HA 1.0 1.80 4.71 86 49 A 18 TYR HE% A 30 LYS H 1.0 1.80 5.17 87 50 A 19 LYS HA A 20 CYS H 1.0 1.80 3.44 88 51 A 19 LYS HA A 26 SER HA 1.0 1.80 3.92 89 52 A 19 LYS HA A 26 SER HBy 1.0 1.80 5.21 90 52 A 26 SER HBx A 19 LYS HA 1.0 1.80 5.21 91 53 A 27 PHE H A 19 LYS HA 1.0 1.80 4.24 92 54 A 19 LYS HA A 27 PHE HBx 1.0 1.80 4.81 93 55 A 19 LYS HA A 27 PHE HD% 1.0 1.80 4.74 94 56 A 19 LYS H A 19 LYS HBy 1.0 1.80 4.27 95 56 A 19 LYS H A 19 LYS HBx 1.0 1.80 4.27 96 57 A 19 LYS H A 19 LYS HEx 1.0 1.80 4.83 97 57 A 19 LYS H A 19 LYS HEy 1.0 1.80 4.83 98 58 A 19 LYS H A 19 LYS HGx 1.0 1.80 4.43 99 58 A 19 LYS H A 19 LYS HGy 1.0 1.80 4.43 100 59 A 19 LYS H A 21 ASP H 1.0 1.80 5.14 101 60 A 19 LYS H A 21 ASP HBx 1.0 1.80 6.00 102 60 A 19 LYS H A 21 ASP HBy 1.0 1.80 6.00 103 61 A 19 LYS H A 33 LEU HG 1.0 1.80 4.65 104 62 A 20 CYS HA A 19 LYS HBy 1.0 1.80 5.71 105 62 A 19 LYS HBx A 20 CYS HA 1.0 1.80 5.71 106 63 A 20 CYS H A 19 LYS HBy 1.0 1.80 4.88 107 63 A 19 LYS HBx A 20 CYS H 1.0 1.80 4.88 108 64 A 20 CYS H A 19 LYS HDx 1.0 1.80 6.00 109 64 A 20 CYS H A 19 LYS HDy 1.0 1.80 6.00 110 65 A 27 PHE H A 19 LYS HEx 1.0 1.80 6.00 111 65 A 27 PHE H A 19 LYS HEy 1.0 1.80 6.00 112 66 A 21 ASP H A 19 LYS HGx 1.0 1.80 6.00 113 66 A 19 LYS HGy A 21 ASP H 1.0 1.80 6.00 114 67 A 20 CYS HA A 22 ARG H 1.0 1.80 6.00 115 68 A 20 CYS HA A 23 CYS H 1.0 1.80 4.92 116 69 A 20 CYS HA A 25 ALA HB% 1.0 1.80 5.75 117 70 A 20 CYS HA A 33 LEU HA 1.0 1.80 5.50 118 71 A 33 LEU HG A 20 CYS HA 1.0 1.80 5.23 119 72 A 20 CYS HA A 33 LEU HD21 1.0 1.80 4.02 120 73 A 20 CYS HA A 36 HIS HD2 1.0 1.80 5.47 121 74 A 20 CYS H A 20 CYS HBx 1.0 1.80 4.05 122 75 A 20 CYS H A 20 CYS HBy 1.0 1.80 4.05 123 76 A 20 CYS H A 33 LEU HD21 1.0 1.80 4.37 124 77 A 22 ARG H A 20 CYS HBy 1.0 1.80 5.61 125 77 A 22 ARG H A 20 CYS HBx 1.0 1.80 5.61 126 78 A 23 CYS H A 20 CYS HBy 1.0 1.80 5.38 127 78 A 23 CYS H A 20 CYS HBx 1.0 1.80 5.38 128 79 A 25 ALA H A 20 CYS HBy 1.0 1.80 5.21 129 79 A 20 CYS HBx A 25 ALA H 1.0 1.80 5.21 130 80 A 33 LEU HD21 A 20 CYS HBy 1.0 1.80 4.27 131 80 A 33 LEU HD21 A 20 CYS HBx 1.0 1.80 4.27 132 81 A 36 HIS HD2 A 20 CYS HBy 1.0 1.80 4.63 133 81 A 36 HIS HD2 A 20 CYS HBx 1.0 1.80 4.63 134 82 A 33 LEU HG A 20 CYS HBx 1.0 1.80 5.30 135 83 A 33 LEU HG A 20 CYS HBy 1.0 1.80 4.65 136 84 A 23 CYS H A 21 ASP HA 1.0 1.80 5.64 137 85 A 21 ASP H A 22 ARG HA 1.0 1.80 5.67 138 86 A 21 ASP H A 22 ARG H 1.0 1.80 4.74 139 87 A 21 ASP H A 22 ARG HGx 1.0 1.80 6.00 140 87 A 21 ASP H A 22 ARG HGy 1.0 1.80 6.00 141 88 A 21 ASP H A 23 CYS H 1.0 1.80 5.23 142 89 A 21 ASP H A 33 LEU HD21 1.0 1.80 5.48 143 90 A 22 ARG HA A 22 ARG HDx 1.0 1.80 4.16 144 90 A 22 ARG HA A 22 ARG HDy 1.0 1.80 4.16 145 91 A 22 ARG HA A 23 CYS HA 1.0 1.80 5.16 146 92 A 22 ARG H A 22 ARG HDx 1.0 1.80 5.95 147 92 A 22 ARG H A 22 ARG HDy 1.0 1.80 5.95 148 93 A 22 ARG H A 22 ARG HGx 1.0 1.80 4.81 149 93 A 22 ARG H A 22 ARG HGy 1.0 1.80 4.81 150 94 A 22 ARG H A 23 CYS H 1.0 1.80 3.54 151 95 A 23 CYS H A 22 ARG HBy 1.0 1.80 4.58 152 95 A 23 CYS H A 22 ARG HBx 1.0 1.80 4.58 153 96 A 23 CYS H A 22 ARG HDx 1.0 1.80 5.27 154 96 A 23 CYS H A 22 ARG HDy 1.0 1.80 5.27 155 97 A 23 CYS H A 22 ARG HGx 1.0 1.80 5.28 156 97 A 23 CYS H A 22 ARG HGy 1.0 1.80 5.28 157 98 A 23 CYS H A 23 CYS HBx 1.0 1.80 3.96 158 99 A 23 CYS H A 24 GLN H 1.0 1.80 4.14 159 100 A 23 CYS H A 25 ALA H 1.0 1.80 5.52 160 101 A 23 CYS HBx A 24 GLN H 1.0 1.80 3.77 161 102 A 25 ALA H A 23 CYS HBx 1.0 1.80 4.44 162 103 A 24 GLN H A 23 CYS HBy 1.0 1.80 4.40 163 104 A 25 ALA H A 23 CYS HBy 1.0 1.80 5.60 164 105 A 25 ALA HB% A 24 GLN HA 1.0 1.80 6.00 165 106 A 24 GLN H A 24 GLN HGx 1.0 1.80 4.15 166 106 A 24 GLN H A 24 GLN HGy 1.0 1.80 4.15 167 107 A 25 ALA H A 24 GLN H 1.0 1.80 4.51 168 108 A 25 ALA H A 24 GLN HGx 1.0 1.80 5.48 169 108 A 25 ALA H A 24 GLN HGy 1.0 1.80 5.48 170 109 A 25 ALA HA A 26 SER H 1.0 1.80 3.27 171 110 A 25 ALA HB% A 25 ALA H 1.0 1.80 3.70 172 111 A 25 ALA H A 26 SER H 1.0 1.80 5.35 173 112 A 25 ALA HB% A 26 SER H 1.0 1.80 3.91 174 113 A 25 ALA HB% A 26 SER HBy 1.0 1.80 5.93 175 113 A 26 SER HBx A 25 ALA HB% 1.0 1.80 5.93 176 114 A 25 ALA HB% A 27 PHE HE% 1.0 1.80 4.39 177 115 A 27 PHE H A 26 SER HA 1.0 1.80 3.55 178 116 A 26 SER HA A 27 PHE HD% 1.0 1.80 5.03 179 117 A 27 PHE H A 26 SER H 1.0 1.80 5.76 180 118 A 27 PHE HA A 26 SER HBy 1.0 1.80 5.71 181 118 A 26 SER HBx A 27 PHE HA 1.0 1.80 5.71 182 119 A 27 PHE H A 26 SER HBy 1.0 1.80 4.93 183 119 A 26 SER HBx A 27 PHE H 1.0 1.80 4.93 184 120 A 28 ARG H A 27 PHE HA 1.0 1.80 3.89 185 121 A 27 PHE HA A 29 TYR H 1.0 1.80 4.71 186 122 A 27 PHE HA A 29 TYR HE% 1.0 1.80 5.80 187 123 A 27 PHE H A 27 PHE HBx 1.0 1.80 4.30 188 124 A 27 PHE H A 27 PHE HBy 1.0 1.80 4.27 189 125 A 27 PHE H A 27 PHE HD% 1.0 1.80 4.54 190 126 A 27 PHE H A 29 TYR H 1.0 1.80 5.53 191 127 A 27 PHE H A 33 LEU HD21 1.0 1.80 5.48 192 128 A 28 ARG H A 27 PHE HBx 1.0 1.80 5.07 193 129 A 29 TYR H A 27 PHE HBx 1.0 1.80 4.10 194 130 A 27 PHE HBx A 29 TYR HD% 1.0 1.80 4.79 195 131 A 27 PHE HBx A 32 ASN H 1.0 1.80 6.00 196 132 A 27 PHE HBx A 33 LEU H 1.0 1.80 5.17 197 133 A 28 ARG H A 27 PHE HBy 1.0 1.80 5.53 198 134 A 27 PHE HBy A 29 TYR H 1.0 1.80 4.57 199 135 A 27 PHE HBy A 32 ASN H 1.0 1.80 5.49 200 136 A 27 PHE HBy A 33 LEU H 1.0 1.80 5.37 201 137 A 27 PHE HBy A 33 LEU HBx 1.0 1.80 5.23 202 138 A 27 PHE HD% A 33 LEU HA 1.0 1.80 5.07 203 139 A 27 PHE HD% A 33 LEU HBy 1.0 1.80 5.94 204 140 A 27 PHE HD% A 33 LEU HD21 1.0 1.80 4.48 205 141 A 33 LEU HA A 27 PHE HE% 1.0 1.80 4.90 206 142 A 27 PHE HE% A 36 HIS H 1.0 1.80 5.65 207 143 A 27 PHE HE% A 37 LYS H 1.0 1.80 6.00 208 144 A 28 ARG HA A 28 ARG HDx 1.0 1.80 4.87 209 144 A 28 ARG HA A 28 ARG HDy 1.0 1.80 4.87 210 145 A 28 ARG H A 29 TYR H 1.0 1.80 4.40 211 146 A 28 ARG H A 29 TYR HBx 1.0 1.80 6.00 212 147 A 29 TYR HA A 29 TYR HD% 1.0 1.80 4.30 213 148 A 29 TYR HA A 30 LYS H 1.0 1.80 3.56 214 149 A 29 TYR HA A 32 ASN H 1.0 1.80 6.00 215 150 A 29 TYR H A 29 TYR HBx 1.0 1.80 4.03 216 151 A 29 TYR H A 30 LYS H 1.0 1.80 5.24 217 152 A 29 TYR H A 32 ASN H 1.0 1.80 4.88 218 153 A 29 TYR H A 33 LEU H 1.0 1.80 5.49 219 154 A 29 TYR HD% A 29 TYR HBx 1.0 1.80 4.08 220 155 A 32 ASN H A 29 TYR HBx 1.0 1.80 3.91 221 156 A 33 LEU H A 29 TYR HBx 1.0 1.80 5.16 222 157 A 30 LYS H A 29 TYR HBy 1.0 1.80 5.59 223 158 A 32 ASN H A 29 TYR HBy 1.0 1.80 4.58 224 159 A 33 LEU HG A 30 LYS HA 1.0 1.80 5.00 225 160 A 30 LYS HA A 33 LEU H 1.0 1.80 4.05 226 161 A 30 LYS HA A 33 LEU HBy 1.0 1.80 4.77 227 162 A 30 LYS HA A 34 ALA H 1.0 1.80 4.91 228 163 A 30 LYS H A 30 LYS HGx 1.0 1.80 4.07 229 163 A 30 LYS H A 30 LYS HGy 1.0 1.80 4.07 230 164 A 30 LYS H A 32 ASN H 1.0 1.80 5.10 231 165 A 30 LYS HGy A 31 GLY HAx 1.0 1.80 5.05 232 165 A 30 LYS HGx A 31 GLY HAx 1.0 1.80 5.05 233 165 A 31 GLY HAy A 30 LYS HGx 1.0 1.80 5.05 234 165 A 30 LYS HGy A 31 GLY HAy 1.0 1.80 5.05 235 166 A 32 ASN H A 30 LYS HGx 1.0 1.80 5.79 236 166 A 32 ASN H A 30 LYS HGy 1.0 1.80 5.79 237 167 A 32 ASN H A 31 GLY H 1.0 1.80 5.31 238 168 A 33 LEU H A 31 GLY HAx 1.0 1.80 5.42 239 168 A 33 LEU H A 31 GLY HAy 1.0 1.80 5.42 240 169 A 34 ALA H A 31 GLY HAx 1.0 1.80 4.38 241 169 A 34 ALA H A 31 GLY HAy 1.0 1.80 4.38 242 170 A 34 ALA HB% A 31 GLY HAx 1.0 1.80 4.53 243 170 A 31 GLY HAy A 34 ALA HB% 1.0 1.80 4.53 244 171 A 32 ASN HA A 35 SER H 1.0 1.80 4.44 245 172 A 32 ASN HA A 35 SER HBx 1.0 1.80 4.39 246 172 A 32 ASN HA A 35 SER HBy 1.0 1.80 4.39 247 173 A 36 HIS H A 32 ASN HA 1.0 1.80 5.32 248 174 A 32 ASN H A 33 LEU H 1.0 1.80 3.69 249 175 A 32 ASN H A 33 LEU HBy 1.0 1.80 5.30 250 176 A 32 ASN H A 34 ALA H 1.0 1.80 5.07 251 177 A 35 SER H A 32 ASN HBx 1.0 1.80 5.85 252 177 A 35 SER H A 32 ASN HBy 1.0 1.80 5.85 253 178 A 33 LEU HA A 33 LEU HD21 1.0 1.80 3.91 254 179 A 33 LEU HA A 36 HIS H 1.0 1.80 4.69 255 180 A 33 LEU HA A 36 HIS HBy 1.0 1.80 4.92 256 181 A 33 LEU HG A 34 ALA HA 1.0 1.80 6.00 257 182 A 33 LEU HG A 34 ALA H 1.0 1.80 6.00 258 183 A 33 LEU HG A 33 LEU H 1.0 1.80 5.18 259 184 A 33 LEU H A 33 LEU HBx 1.0 1.80 3.93 260 185 A 33 LEU H A 33 LEU HBy 1.0 1.80 3.64 261 186 A 33 LEU HD21 A 33 LEU H 1.0 1.80 5.59 262 187 A 33 LEU H A 34 ALA H 1.0 1.80 3.69 263 188 A 33 LEU H A 36 HIS H 1.0 1.80 6.00 264 189 A 33 LEU H A 37 LYS H 1.0 1.80 6.00 265 190 A 33 LEU HBx A 36 HIS H 1.0 1.80 6.00 266 191 A 33 LEU HD21 A 33 LEU HBy 1.0 1.80 3.98 267 192 A 33 LEU HBy A 34 ALA H 1.0 1.80 3.87 268 193 A 33 LEU HBy A 34 ALA HB% 1.0 1.80 4.93 269 194 A 33 LEU HBy A 35 SER H 1.0 1.80 5.35 270 195 A 33 LEU HD21 A 34 ALA H 1.0 1.80 4.71 271 196 A 33 LEU HD21 A 36 HIS H 1.0 1.80 5.41 272 197 A 33 LEU HD21 A 36 HIS HBy 1.0 1.80 4.60 273 198 A 33 LEU HD21 A 36 HIS HD2 1.0 1.80 4.37 274 199 A 33 LEU HD21 A 37 LYS H 1.0 1.80 5.36 275 200 A 33 LEU HD21 A 37 LYS HDx 1.0 1.80 5.23 276 200 A 33 LEU HD21 A 37 LYS HDy 1.0 1.80 5.23 277 201 A 37 LYS H A 34 ALA HA 1.0 1.80 4.88 278 202 A 34 ALA HA A 37 LYS HDx 1.0 1.80 4.58 279 202 A 34 ALA HA A 37 LYS HDy 1.0 1.80 4.58 280 203 A 34 ALA HA A 38 THR H 1.0 1.80 5.21 281 204 A 34 ALA H A 34 ALA HB% 1.0 1.80 3.29 282 205 A 36 HIS H A 34 ALA H 1.0 1.80 5.13 283 206 A 34 ALA HB% A 35 SER HA 1.0 1.80 5.23 284 207 A 34 ALA HB% A 35 SER H 1.0 1.80 3.82 285 208 A 37 LYS H A 34 ALA HB% 1.0 1.80 5.70 286 209 A 34 ALA HB% A 37 LYS HBx 1.0 1.80 5.38 287 209 A 34 ALA HB% A 37 LYS HBy 1.0 1.80 5.38 288 210 A 38 THR H A 35 SER HA 1.0 1.80 4.49 289 211 A 35 SER HA A 38 THR HG2% 1.0 1.80 4.19 290 212 A 35 SER H A 35 SER HBx 1.0 1.80 3.59 291 212 A 35 SER H A 35 SER HBy 1.0 1.80 3.59 292 213 A 36 HIS H A 35 SER H 1.0 1.80 3.96 293 214 A 35 SER H A 36 HIS HBx 1.0 1.80 6.00 294 215 A 35 SER H A 36 HIS HBy 1.0 1.80 5.38 295 216 A 36 HIS H A 35 SER HBx 1.0 1.80 4.16 296 216 A 36 HIS H A 35 SER HBy 1.0 1.80 4.16 297 217 A 36 HIS HA A 39 VAL H 1.0 1.80 4.61 298 218 A 36 HIS HA A 39 VAL HGx% 1.0 1.80 4.92 299 218 A 36 HIS HA A 39 VAL HG21 1.0 1.80 4.92 300 219 A 36 HIS HA A 40 HIS H 1.0 1.80 5.83 301 220 A 36 HIS H A 36 HIS HBx 1.0 1.80 3.51 302 221 A 36 HIS H A 36 HIS HBy 1.0 1.80 3.78 303 222 A 36 HIS HD2 A 36 HIS H 1.0 1.80 5.76 304 223 A 36 HIS H A 37 LYS H 1.0 1.80 3.99 305 224 A 36 HIS H A 37 LYS HBx 1.0 1.80 5.19 306 224 A 36 HIS H A 37 LYS HBy 1.0 1.80 5.19 307 225 A 36 HIS H A 38 THR H 1.0 1.80 5.15 308 226 A 36 HIS H A 38 THR HG2% 1.0 1.80 6.00 309 227 A 37 LYS H A 36 HIS HBx 1.0 1.80 4.57 310 228 A 37 LYS H A 36 HIS HBy 1.0 1.80 4.74 311 229 A 36 HIS HBy A 38 THR H 1.0 1.80 6.00 312 230 A 36 HIS HD2 A 37 LYS HA 1.0 1.80 4.82 313 231 A 36 HIS HD2 A 40 HIS HD2 1.0 1.80 5.12 314 232 A 37 LYS HA A 37 LYS HDx 1.0 1.80 5.41 315 232 A 37 LYS HDy A 37 LYS HA 1.0 1.80 5.41 316 233 A 37 LYS HA A 38 THR HA 1.0 1.80 5.42 317 234 A 39 VAL H A 37 LYS HA 1.0 1.80 4.87 318 235 A 40 HIS H A 37 LYS HA 1.0 1.80 5.03 319 236 A 37 LYS HA A 40 HIS HBx 1.0 1.80 5.47 320 236 A 37 LYS HA A 40 HIS HBy 1.0 1.80 5.47 321 237 A 37 LYS HA A 40 HIS HD2 1.0 1.80 4.35 322 238 A 37 LYS H A 37 LYS HBx 1.0 1.80 3.40 323 238 A 37 LYS H A 37 LYS HBy 1.0 1.80 3.40 324 239 A 37 LYS H A 37 LYS HDx 1.0 1.80 4.92 325 239 A 37 LYS H A 37 LYS HDy 1.0 1.80 4.92 326 240 A 37 LYS H A 38 THR H 1.0 1.80 3.98 327 241 A 37 LYS H A 38 THR HG2% 1.0 1.80 5.69 328 242 A 38 THR HA A 37 LYS HBx 1.0 1.80 5.36 329 242 A 37 LYS HBy A 38 THR HA 1.0 1.80 5.36 330 243 A 38 THR H A 37 LYS HBx 1.0 1.80 4.40 331 243 A 38 THR H A 37 LYS HBy 1.0 1.80 4.40 332 244 A 38 THR HG2% A 37 LYS HBx 1.0 1.80 4.63 333 244 A 37 LYS HBy A 38 THR HG2% 1.0 1.80 4.63 334 245 A 38 THR HG2% A 38 THR HA 1.0 1.80 4.24 335 246 A 40 HIS H A 38 THR HA 1.0 1.80 4.96 336 247 A 38 THR HA A 41 THR H 1.0 1.80 4.98 337 248 A 39 VAL H A 38 THR HB 1.0 1.80 5.24 338 249 A 38 THR H A 38 THR HG2% 1.0 1.80 3.74 339 250 A 38 THR H A 39 VAL H 1.0 1.80 3.73 340 251 A 38 THR H A 39 VAL HGx% 1.0 1.80 5.71 341 251 A 38 THR H A 39 VAL HG21 1.0 1.80 5.71 342 252 A 40 HIS H A 39 VAL HB 1.0 1.80 4.95 343 253 A 40 HIS HD2 A 39 VAL HB 1.0 1.80 5.12 344 254 A 39 VAL H A 39 VAL HB 1.0 1.80 3.86 345 255 A 39 VAL H A 39 VAL HGx% 1.0 1.80 3.74 346 255 A 39 VAL H A 39 VAL HG21 1.0 1.80 3.74 347 256 A 39 VAL H A 40 HIS H 1.0 1.80 3.83 348 257 A 40 HIS H A 39 VAL HGx% 1.0 1.80 4.75 349 257 A 39 VAL HG21 A 40 HIS H 1.0 1.80 4.75 350 258 A 40 HIS H A 40 HIS HD2 1.0 1.80 5.47 351 259 A 40 HIS H A 41 THR HA 1.0 1.80 6.00 352 260 A 40 HIS H A 41 THR H 1.0 1.80 4.08 353 261 A 40 HIS H A 41 THR HG2% 1.0 1.80 6.00 354 262 A 45 PRO HA A 46 TYR H 1.0 1.80 3.63 355 263 A 45 PRO HA A 46 TYR HD% 1.0 1.80 5.95 356 264 A 46 TYR H A 45 PRO HBx 1.0 1.80 4.20 357 264 A 46 TYR H A 45 PRO HBy 1.0 1.80 4.20 358 265 A 46 TYR H A 45 PRO HBy 1.0 1.80 4.85 359 266 A 46 TYR H A 45 PRO HDy 1.0 1.80 4.21 360 266 A 46 TYR H A 45 PRO HDx 1.0 1.80 4.21 361 267 A 56 ASN HA A 45 PRO HDy 1.0 1.80 4.28 362 267 A 45 PRO HDx A 56 ASN HA 1.0 1.80 4.28 363 268 A 46 TYR H A 45 PRO HDy 1.0 1.80 4.85 364 269 A 46 TYR H A 45 PRO HGx 1.0 1.80 5.02 365 269 A 46 TYR H A 45 PRO HGy 1.0 1.80 5.02 366 270 A 46 TYR HD% A 46 TYR HA 1.0 1.80 4.05 367 271 A 46 TYR HA A 47 ARG H 1.0 1.80 3.41 368 272 A 46 TYR H A 46 TYR HD% 1.0 1.80 4.22 369 273 A 46 TYR H A 46 TYR HE% 1.0 1.80 5.25 370 274 A 46 TYR H A 47 ARG H 1.0 1.80 5.32 371 275 A 46 TYR H A 47 ARG HBx 1.0 1.80 5.48 372 275 A 46 TYR H A 47 ARG HBy 1.0 1.80 5.48 373 276 A 46 TYR H A 55 PHE H 1.0 1.80 4.36 374 277 A 46 TYR H A 55 PHE HBx 1.0 1.80 5.03 375 278 A 46 TYR H A 56 ASN HA 1.0 1.80 5.02 376 279 A 46 TYR HD% A 46 TYR HBx 1.0 1.80 3.53 377 279 A 46 TYR HD% A 46 TYR HBy 1.0 1.80 3.53 378 280 A 55 PHE H A 46 TYR HBx 1.0 1.80 5.04 379 280 A 55 PHE H A 46 TYR HBy 1.0 1.80 5.04 380 281 A 55 PHE HD% A 46 TYR HBx 1.0 1.80 4.26 381 281 A 46 TYR HBy A 55 PHE HD% 1.0 1.80 4.26 382 282 A 55 PHE HE% A 46 TYR HBx 1.0 1.80 6.00 383 282 A 46 TYR HBy A 55 PHE HE% 1.0 1.80 6.00 384 283 A 46 TYR HD% A 47 ARG H 1.0 1.80 6.00 385 284 A 46 TYR HD% A 55 PHE H 1.0 1.80 4.55 386 285 A 46 TYR HD% A 56 ASN HA 1.0 1.80 4.55 387 286 A 46 TYR HD% A 57 ARG H 1.0 1.80 4.86 388 287 A 46 TYR HD% A 58 PRO HDx 1.0 1.80 5.63 389 287 A 46 TYR HD% A 58 PRO HDy 1.0 1.80 5.63 390 288 A 46 TYR HE% A 58 PRO HBx 1.0 1.80 4.93 391 288 A 46 TYR HE% A 58 PRO HBy 1.0 1.80 4.93 392 289 A 46 TYR HE% A 58 PRO HDx 1.0 1.80 4.15 393 289 A 46 TYR HE% A 58 PRO HDy 1.0 1.80 4.15 394 290 A 46 TYR HE% A 58 PRO HGx 1.0 1.80 5.30 395 290 A 46 TYR HE% A 58 PRO HGy 1.0 1.80 5.30 396 291 A 47 ARG HA A 47 ARG HGx 1.0 1.80 4.48 397 291 A 47 ARG HA A 47 ARG HGy 1.0 1.80 4.48 398 292 A 47 ARG HA A 48 CYS H 1.0 1.80 3.29 399 293 A 47 ARG HA A 48 CYS HBx 1.0 1.80 5.33 400 294 A 47 ARG HA A 48 CYS HBy 1.0 1.80 5.46 401 295 A 47 ARG HA A 53 ALA H 1.0 1.80 5.75 402 296 A 47 ARG HA A 53 ALA HB% 1.0 1.80 5.72 403 297 A 47 ARG HA A 54 GLN HGy 1.0 1.80 4.72 404 297 A 47 ARG HA A 54 GLN HGx 1.0 1.80 4.72 405 298 A 55 PHE H A 47 ARG HA 1.0 1.80 4.42 406 299 A 55 PHE HD% A 47 ARG HA 1.0 1.80 5.53 407 300 A 47 ARG HA A 61 LEU HG 1.0 1.80 6.00 408 301 A 47 ARG HA A 61 LEU HDx% 1.0 1.80 6.00 409 301 A 47 ARG HA A 61 LEU HD21 1.0 1.80 6.00 410 302 A 47 ARG H A 47 ARG HBx 1.0 1.80 3.87 411 302 A 47 ARG H A 47 ARG HBy 1.0 1.80 3.87 412 303 A 47 ARG H A 47 ARG HGx 1.0 1.80 4.81 413 303 A 47 ARG H A 47 ARG HGy 1.0 1.80 4.81 414 304 A 47 ARG H A 48 CYS H 1.0 1.80 5.58 415 305 A 47 ARG H A 61 LEU HG 1.0 1.80 5.76 416 306 A 47 ARG HBx A 47 ARG HDx 1.0 1.80 3.94 417 306 A 47 ARG HBy A 47 ARG HDx 1.0 1.80 3.94 418 306 A 47 ARG HDy A 47 ARG HBx 1.0 1.80 3.94 419 306 A 47 ARG HBy A 47 ARG HDy 1.0 1.80 3.94 420 307 A 48 CYS H A 47 ARG HBx 1.0 1.80 4.55 421 307 A 47 ARG HBy A 48 CYS H 1.0 1.80 4.55 422 308 A 54 GLN HA A 47 ARG HBx 1.0 1.80 4.95 423 308 A 47 ARG HBy A 54 GLN HA 1.0 1.80 4.95 424 309 A 47 ARG HBy A 54 GLN HGy 1.0 1.80 4.73 425 309 A 47 ARG HBx A 54 GLN HGy 1.0 1.80 4.73 426 309 A 54 GLN HGx A 47 ARG HBx 1.0 1.80 4.73 427 309 A 47 ARG HBy A 54 GLN HGx 1.0 1.80 4.73 428 310 A 55 PHE H A 47 ARG HBx 1.0 1.80 4.43 429 310 A 47 ARG HBy A 55 PHE H 1.0 1.80 4.43 430 311 A 48 CYS H A 47 ARG HDx 1.0 1.80 5.58 431 311 A 48 CYS H A 47 ARG HDy 1.0 1.80 5.58 432 312 A 52 GLY HAx A 47 ARG HDx 1.0 1.80 5.36 433 312 A 47 ARG HDy A 52 GLY HAx 1.0 1.80 5.36 434 313 A 48 CYS H A 47 ARG HGx 1.0 1.80 4.30 435 313 A 47 ARG HGy A 48 CYS H 1.0 1.80 4.30 436 314 A 52 GLY H A 47 ARG HGx 1.0 1.80 5.73 437 314 A 47 ARG HGy A 52 GLY H 1.0 1.80 5.73 438 315 A 52 GLY HAx A 47 ARG HGx 1.0 1.80 5.31 439 315 A 47 ARG HGy A 52 GLY HAx 1.0 1.80 5.31 440 316 A 47 ARG HGy A 54 GLN HGy 1.0 1.80 4.47 441 316 A 47 ARG HGx A 54 GLN HGy 1.0 1.80 4.47 442 316 A 54 GLN HGx A 47 ARG HGx 1.0 1.80 4.47 443 316 A 47 ARG HGy A 54 GLN HGx 1.0 1.80 4.47 444 317 A 54 GLN HGx A 47 ARG HGx 1.0 1.80 5.17 445 317 A 47 ARG HGy A 54 GLN HGx 1.0 1.80 5.17 446 318 A 47 ARG HGy A 54 GLN HGy 1.0 1.80 5.17 447 318 A 47 ARG HGx A 54 GLN HGy 1.0 1.80 5.17 448 319 A 48 CYS HA A 50 ILE H 1.0 1.80 4.65 449 320 A 48 CYS HA A 51 CYS H 1.0 1.80 6.00 450 321 A 48 CYS HA A 61 LEU HDx% 1.0 1.80 4.00 451 321 A 61 LEU HD21 A 48 CYS HA 1.0 1.80 4.00 452 322 A 48 CYS H A 48 CYS HBx 1.0 1.80 3.83 453 323 A 48 CYS H A 48 CYS HBy 1.0 1.80 3.62 454 324 A 48 CYS H A 52 GLY H 1.0 1.80 5.46 455 325 A 48 CYS H A 52 GLY HAx 1.0 1.80 5.79 456 326 A 48 CYS H A 53 ALA H 1.0 1.80 4.91 457 327 A 48 CYS H A 53 ALA HB% 1.0 1.80 4.28 458 328 A 48 CYS H A 54 GLN HA 1.0 1.80 4.41 459 329 A 48 CYS H A 61 LEU HDx% 1.0 1.80 4.85 460 329 A 48 CYS H A 61 LEU HD21 1.0 1.80 4.85 461 330 A 48 CYS HBx A 53 ALA H 1.0 1.80 4.52 462 331 A 48 CYS HBx A 53 ALA HB% 1.0 1.80 4.35 463 332 A 48 CYS HBx A 61 LEU HDx% 1.0 1.80 3.99 464 332 A 48 CYS HBx A 61 LEU HD21 1.0 1.80 3.99 465 333 A 48 CYS HBx A 64 HIS HD2 1.0 1.80 4.28 466 334 A 48 CYS HBy A 50 ILE H 1.0 1.80 5.50 467 335 A 48 CYS HBy A 50 ILE HD1% 1.0 1.80 4.36 468 336 A 48 CYS HBy A 51 CYS H 1.0 1.80 4.77 469 337 A 48 CYS HBy A 52 GLY H 1.0 1.80 4.22 470 338 A 48 CYS HBy A 53 ALA H 1.0 1.80 3.58 471 339 A 48 CYS HBy A 53 ALA HB% 1.0 1.80 4.35 472 340 A 48 CYS HBy A 64 HIS HD2 1.0 1.80 5.00 473 341 A 51 CYS H A 49 ASN HA 1.0 1.80 6.00 474 342 A 52 GLY H A 49 ASN HA 1.0 1.80 5.12 475 343 A 50 ILE H A 49 ASN H 1.0 1.80 4.55 476 344 A 50 ILE H A 49 ASN HBx 1.0 1.80 4.73 477 344 A 50 ILE H A 49 ASN HBy 1.0 1.80 4.73 478 345 A 50 ILE HD1% A 50 ILE HA 1.0 1.80 4.30 479 346 A 50 ILE HA A 50 ILE HG1y 1.0 1.80 4.11 480 346 A 50 ILE HA A 50 ILE HG1x 1.0 1.80 4.11 481 347 A 50 ILE HA A 50 ILE HG2% 1.0 1.80 3.80 482 348 A 50 ILE HD1% A 50 ILE HB 1.0 1.80 3.81 483 349 A 51 CYS H A 50 ILE HB 1.0 1.80 3.55 484 350 A 52 GLY H A 50 ILE HB 1.0 1.80 5.14 485 351 A 50 ILE HB A 68 HIS HD2 1.0 1.80 4.92 486 352 A 50 ILE H A 50 ILE HB 1.0 1.80 3.30 487 353 A 50 ILE H A 50 ILE HD1% 1.0 1.80 4.75 488 354 A 50 ILE H A 50 ILE HG1y 1.0 1.80 3.75 489 354 A 50 ILE H A 50 ILE HG1x 1.0 1.80 3.75 490 355 A 50 ILE H A 50 ILE HG2% 1.0 1.80 4.57 491 356 A 50 ILE H A 51 CYS H 1.0 1.80 3.54 492 357 A 52 GLY H A 50 ILE H 1.0 1.80 4.76 493 358 A 51 CYS H A 50 ILE HD1% 1.0 1.80 5.35 494 359 A 50 ILE HD1% A 68 HIS HD2 1.0 1.80 4.84 495 360 A 51 CYS H A 50 ILE HG1y 1.0 1.80 5.14 496 360 A 51 CYS H A 50 ILE HG1x 1.0 1.80 5.14 497 361 A 50 ILE HD1% A 50 ILE HG2% 1.0 1.80 3.58 498 362 A 50 ILE HG2% A 50 ILE HG1y 1.0 1.80 3.56 499 362 A 50 ILE HG1x A 50 ILE HG2% 1.0 1.80 3.56 500 363 A 50 ILE HG2% A 50 ILE HG1y 1.0 1.80 4.15 501 363 A 50 ILE HG1x A 50 ILE HG2% 1.0 1.80 4.15 502 364 A 50 ILE HG2% A 50 ILE HG1y 1.0 1.80 4.15 503 364 A 50 ILE HG1x A 50 ILE HG2% 1.0 1.80 4.15 504 365 A 50 ILE HG2% A 51 CYS HA 1.0 1.80 5.23 505 366 A 51 CYS H A 50 ILE HG2% 1.0 1.80 4.24 506 367 A 50 ILE HG2% A 51 CYS HBy 1.0 1.80 4.42 507 367 A 50 ILE HG2% A 51 CYS HBx 1.0 1.80 4.42 508 368 A 50 ILE HG2% A 68 HIS HD2 1.0 1.80 5.12 509 369 A 51 CYS H A 51 CYS HBy 1.0 1.80 3.89 510 369 A 51 CYS H A 51 CYS HBx 1.0 1.80 3.89 511 370 A 52 GLY HAx A 51 CYS H 1.0 1.80 4.92 512 371 A 51 CYS H A 52 GLY HAy 1.0 1.80 5.31 513 372 A 52 GLY H A 51 CYS HBy 1.0 1.80 4.92 514 372 A 52 GLY H A 51 CYS HBx 1.0 1.80 4.92 515 373 A 53 ALA H A 51 CYS HBy 1.0 1.80 6.00 516 373 A 53 ALA H A 51 CYS HBx 1.0 1.80 6.00 517 374 A 68 HIS HE1 A 51 CYS HBy 1.0 1.80 4.70 518 374 A 51 CYS HBx A 68 HIS HE1 1.0 1.80 4.70 519 375 A 53 ALA H A 52 GLY H 1.0 1.80 3.86 520 376 A 53 ALA HB% A 52 GLY H 1.0 1.80 5.47 521 377 A 53 ALA HB% A 52 GLY HAy 1.0 1.80 6.00 522 378 A 53 ALA HA A 54 GLN H 1.0 1.80 3.07 523 379 A 53 ALA HA A 54 GLN HBx 1.0 1.80 5.47 524 380 A 53 ALA HA A 54 GLN HGy 1.0 1.80 5.04 525 380 A 54 GLN HGx A 53 ALA HA 1.0 1.80 5.04 526 381 A 53 ALA H A 53 ALA HB% 1.0 1.80 3.22 527 382 A 53 ALA H A 54 GLN H 1.0 1.80 4.77 528 383 A 53 ALA HB% A 54 GLN H 1.0 1.80 3.77 529 384 A 53 ALA HB% A 54 GLN HGy 1.0 1.80 5.48 530 384 A 53 ALA HB% A 54 GLN HGx 1.0 1.80 5.48 531 385 A 55 PHE H A 53 ALA HB% 1.0 1.80 5.20 532 386 A 55 PHE HE% A 53 ALA HB% 1.0 1.80 4.29 533 387 A 55 PHE H A 54 GLN HA 1.0 1.80 3.29 534 388 A 55 PHE HD% A 54 GLN HA 1.0 1.80 4.86 535 389 A 54 GLN H A 54 GLN HBx 1.0 1.80 3.64 536 390 A 54 GLN H A 54 GLN HBy 1.0 1.80 4.38 537 391 A 54 GLN H A 54 GLN HGy 1.0 1.80 4.11 538 391 A 54 GLN HGx A 54 GLN H 1.0 1.80 4.11 539 392 A 55 PHE H A 54 GLN H 1.0 1.80 5.91 540 393 A 55 PHE H A 54 GLN HBy 1.0 1.80 4.27 541 394 A 55 PHE HD% A 55 PHE HA 1.0 1.80 4.66 542 395 A 57 ARG H A 55 PHE HA 1.0 1.80 4.04 543 396 A 55 PHE H A 55 PHE HBx 1.0 1.80 4.04 544 397 A 55 PHE H A 55 PHE HD% 1.0 1.80 4.62 545 398 A 55 PHE HBx A 57 ARG H 1.0 1.80 4.38 546 399 A 55 PHE HBx A 61 LEU HG 1.0 1.80 4.87 547 400 A 55 PHE HBx A 61 LEU H 1.0 1.80 5.05 548 401 A 55 PHE HBx A 61 LEU HDx% 1.0 1.80 4.99 549 401 A 55 PHE HBx A 61 LEU HD21 1.0 1.80 4.99 550 402 A 57 ARG H A 55 PHE HBy 1.0 1.80 3.83 551 403 A 55 PHE HBy A 60 ASN HBx 1.0 1.80 4.33 552 403 A 55 PHE HBy A 60 ASN HBy 1.0 1.80 4.33 553 404 A 55 PHE HD% A 61 LEU HA 1.0 1.80 4.98 554 405 A 55 PHE HD% A 61 LEU HG 1.0 1.80 4.53 555 406 A 55 PHE HD% A 61 LEU HDx% 1.0 1.80 4.19 556 406 A 55 PHE HD% A 61 LEU HD21 1.0 1.80 4.19 557 407 A 55 PHE HE% A 60 ASN HBx 1.0 1.80 6.00 558 407 A 55 PHE HE% A 60 ASN HBy 1.0 1.80 6.00 559 408 A 55 PHE HE% A 61 LEU HDx% 1.0 1.80 5.16 560 408 A 55 PHE HE% A 61 LEU HD21 1.0 1.80 5.16 561 409 A 57 ARG H A 56 ASN H 1.0 1.80 4.96 562 410 A 57 ARG H A 56 ASN HBy 1.0 1.80 4.47 563 410 A 57 ARG H A 56 ASN HBx 1.0 1.80 4.47 564 411 A 57 ARG H A 58 PRO HDx 1.0 1.80 5.05 565 411 A 57 ARG H A 58 PRO HDy 1.0 1.80 5.05 566 412 A 57 ARG H A 60 ASN HBx 1.0 1.80 4.24 567 412 A 57 ARG H A 60 ASN HBy 1.0 1.80 4.24 568 413 A 57 ARG H A 61 LEU H 1.0 1.80 5.38 569 414 A 58 PRO HA A 60 ASN H 1.0 1.80 5.07 570 415 A 61 LEU H A 58 PRO HA 1.0 1.80 4.21 571 416 A 58 PRO HA A 61 LEU HBx 1.0 1.80 4.95 572 417 A 58 PRO HA A 61 LEU HBy 1.0 1.80 4.86 573 418 A 58 PRO HA A 62 LYS H 1.0 1.80 5.16 574 419 A 59 ALA HB% A 58 PRO HBx 1.0 1.80 5.14 575 419 A 58 PRO HBy A 59 ALA HB% 1.0 1.80 5.14 576 420 A 59 ALA HB% A 58 PRO HDx 1.0 1.80 5.12 577 420 A 58 PRO HDy A 59 ALA HB% 1.0 1.80 5.12 578 421 A 61 LEU H A 59 ALA HA 1.0 1.80 5.10 579 422 A 59 ALA HA A 62 LYS HBx 1.0 1.80 4.74 580 422 A 59 ALA HA A 62 LYS HBy 1.0 1.80 4.74 581 423 A 59 ALA HA A 62 LYS HDx 1.0 1.80 5.38 582 423 A 59 ALA HA A 62 LYS HDy 1.0 1.80 5.38 583 424 A 59 ALA HA A 62 LYS HEx 1.0 1.80 5.56 584 424 A 59 ALA HA A 62 LYS HEy 1.0 1.80 5.56 585 425 A 60 ASN H A 59 ALA H 1.0 1.80 6.00 586 426 A 60 ASN H A 59 ALA HB% 1.0 1.80 3.98 587 427 A 61 LEU H A 59 ALA HB% 1.0 1.80 5.32 588 428 A 59 ALA HB% A 62 LYS HBx 1.0 1.80 5.51 589 428 A 59 ALA HB% A 62 LYS HBy 1.0 1.80 5.51 590 429 A 59 ALA HB% A 63 THR H 1.0 1.80 5.37 591 430 A 62 LYS H A 60 ASN HA 1.0 1.80 5.47 592 431 A 60 ASN HA A 63 THR HB 1.0 1.80 4.28 593 432 A 63 THR H A 60 ASN HA 1.0 1.80 4.25 594 433 A 60 ASN HA A 64 HIS H 1.0 1.80 5.12 595 434 A 60 ASN H A 60 ASN HBx 1.0 1.80 3.58 596 434 A 60 ASN HBy A 60 ASN H 1.0 1.80 3.58 597 435 A 61 LEU H A 60 ASN H 1.0 1.80 3.47 598 436 A 60 ASN H A 62 LYS H 1.0 1.80 4.97 599 437 A 60 ASN H A 62 LYS HBx 1.0 1.80 5.75 600 437 A 60 ASN H A 62 LYS HBy 1.0 1.80 5.75 601 438 A 61 LEU H A 60 ASN HBx 1.0 1.80 3.99 602 438 A 61 LEU H A 60 ASN HBy 1.0 1.80 3.99 603 439 A 61 LEU HA A 61 LEU HDx% 1.0 1.80 3.67 604 439 A 61 LEU HD21 A 61 LEU HA 1.0 1.80 3.67 605 440 A 61 LEU HA A 63 THR H 1.0 1.80 5.06 606 441 A 61 LEU HA A 64 HIS H 1.0 1.80 5.40 607 442 A 61 LEU HA A 65 THR HG2% 1.0 1.80 5.16 608 443 A 61 LEU HG A 62 LYS HA 1.0 1.80 6.00 609 444 A 61 LEU HG A 62 LYS H 1.0 1.80 4.86 610 445 A 61 LEU HG A 61 LEU H 1.0 1.80 5.27 611 446 A 61 LEU H A 61 LEU HBx 1.0 1.80 3.65 612 447 A 61 LEU H A 61 LEU HBy 1.0 1.80 3.76 613 448 A 61 LEU H A 62 LYS H 1.0 1.80 3.50 614 449 A 61 LEU H A 63 THR H 1.0 1.80 5.07 615 450 A 61 LEU H A 65 THR HG2% 1.0 1.80 5.98 616 451 A 61 LEU HBx A 62 LYS H 1.0 1.80 4.47 617 452 A 61 LEU HBx A 65 THR HG2% 1.0 1.80 5.18 618 453 A 61 LEU HBy A 62 LYS H 1.0 1.80 3.66 619 454 A 61 LEU HBy A 65 THR HG2% 1.0 1.80 4.41 620 455 A 62 LYS HA A 61 LEU HDx% 1.0 1.80 5.21 621 455 A 61 LEU HD21 A 62 LYS HA 1.0 1.80 5.21 622 456 A 64 HIS H A 61 LEU HDx% 1.0 1.80 5.35 623 456 A 61 LEU HD21 A 64 HIS H 1.0 1.80 5.35 624 457 A 64 HIS HD2 A 61 LEU HDx% 1.0 1.80 4.08 625 457 A 61 LEU HD21 A 64 HIS HD2 1.0 1.80 4.08 626 458 A 65 THR H A 61 LEU HDx% 1.0 1.80 4.74 627 458 A 61 LEU HD21 A 65 THR H 1.0 1.80 4.74 628 459 A 65 THR HG2% A 61 LEU HDx% 1.0 1.80 3.49 629 459 A 61 LEU HD21 A 65 THR HG2% 1.0 1.80 3.49 630 460 A 62 LYS HA A 62 LYS HDx 1.0 1.80 5.59 631 460 A 62 LYS HDy A 62 LYS HA 1.0 1.80 5.59 632 461 A 62 LYS HA A 62 LYS HEx 1.0 1.80 5.87 633 461 A 62 LYS HEy A 62 LYS HA 1.0 1.80 5.87 634 462 A 62 LYS HA A 65 THR HB 1.0 1.80 4.99 635 463 A 62 LYS HA A 65 THR H 1.0 1.80 4.48 636 464 A 65 THR HG2% A 62 LYS HA 1.0 1.80 4.33 637 465 A 62 LYS H A 62 LYS HBx 1.0 1.80 3.81 638 465 A 62 LYS H A 62 LYS HBy 1.0 1.80 3.81 639 466 A 62 LYS H A 62 LYS HEx 1.0 1.80 5.61 640 466 A 62 LYS H A 62 LYS HEy 1.0 1.80 5.61 641 467 A 62 LYS H A 62 LYS HGx 1.0 1.80 4.50 642 467 A 62 LYS H A 62 LYS HGy 1.0 1.80 4.50 643 468 A 62 LYS H A 63 THR HA 1.0 1.80 6.00 644 469 A 62 LYS H A 64 HIS H 1.0 1.80 5.00 645 470 A 62 LYS H A 65 THR H 1.0 1.80 5.54 646 471 A 62 LYS H A 65 THR HG2% 1.0 1.80 4.43 647 472 A 62 LYS HBy A 62 LYS HEx 1.0 1.80 5.61 648 472 A 62 LYS HBx A 62 LYS HEx 1.0 1.80 5.61 649 472 A 62 LYS HEy A 62 LYS HBx 1.0 1.80 5.61 650 472 A 62 LYS HBy A 62 LYS HEy 1.0 1.80 5.61 651 473 A 64 HIS H A 62 LYS HBx 1.0 1.80 5.75 652 473 A 62 LYS HBy A 64 HIS H 1.0 1.80 5.75 653 474 A 63 THR H A 62 LYS HEx 1.0 1.80 5.17 654 474 A 62 LYS HEy A 63 THR H 1.0 1.80 5.17 655 475 A 62 LYS HEy A 62 LYS HGx 1.0 1.80 4.12 656 475 A 62 LYS HEx A 62 LYS HGx 1.0 1.80 4.12 657 475 A 62 LYS HGy A 62 LYS HEx 1.0 1.80 4.12 658 475 A 62 LYS HEy A 62 LYS HGy 1.0 1.80 4.12 659 476 A 63 THR H A 62 LYS HGx 1.0 1.80 5.68 660 476 A 63 THR H A 62 LYS HGy 1.0 1.80 5.68 661 477 A 63 THR HA A 63 THR HG2% 1.0 1.80 3.88 662 478 A 63 THR HA A 66 ARG H 1.0 1.80 4.82 663 479 A 63 THR HA A 66 ARG HDx 1.0 1.80 5.19 664 479 A 63 THR HA A 66 ARG HDy 1.0 1.80 5.19 665 480 A 63 THR HB A 64 HIS H 1.0 1.80 3.81 666 481 A 63 THR H A 63 THR HB 1.0 1.80 3.48 667 482 A 63 THR H A 63 THR HG2% 1.0 1.80 4.22 668 483 A 63 THR H A 64 HIS H 1.0 1.80 3.69 669 484 A 63 THR H A 65 THR H 1.0 1.80 5.26 670 485 A 63 THR H A 66 ARG H 1.0 1.80 5.46 671 486 A 64 HIS H A 63 THR HG2% 1.0 1.80 4.57 672 487 A 63 THR HG2% A 66 ARG HBx 1.0 1.80 4.46 673 487 A 63 THR HG2% A 66 ARG HBy 1.0 1.80 4.46 674 488 A 63 THR HG2% A 66 ARG HDx 1.0 1.80 4.79 675 488 A 63 THR HG2% A 66 ARG HDy 1.0 1.80 4.79 676 489 A 64 HIS HA A 67 ILE H 1.0 1.80 4.59 677 490 A 64 HIS HA A 67 ILE HG2% 1.0 1.80 4.90 678 491 A 64 HIS H A 64 HIS HBx 1.0 1.80 2.99 679 491 A 64 HIS H A 64 HIS HBy 1.0 1.80 2.99 680 492 A 64 HIS H A 64 HIS HBx 1.0 1.80 3.55 681 493 A 64 HIS H A 64 HIS HBy 1.0 1.80 3.55 682 494 A 64 HIS HD2 A 64 HIS H 1.0 1.80 5.87 683 495 A 64 HIS H A 65 THR H 1.0 1.80 3.86 684 496 A 64 HIS H A 65 THR HG2% 1.0 1.80 5.47 685 497 A 64 HIS H A 66 ARG HBx 1.0 1.80 6.00 686 497 A 64 HIS H A 66 ARG HBy 1.0 1.80 6.00 687 498 A 65 THR H A 64 HIS HBx 1.0 1.80 3.58 688 498 A 65 THR H A 64 HIS HBy 1.0 1.80 3.58 689 499 A 65 THR HG2% A 64 HIS HBx 1.0 1.80 5.50 690 499 A 65 THR HG2% A 64 HIS HBy 1.0 1.80 5.50 691 500 A 67 ILE HG2% A 64 HIS HBx 1.0 1.80 5.60 692 500 A 67 ILE HG2% A 64 HIS HBy 1.0 1.80 5.60 693 501 A 64 HIS HD2 A 65 THR HA 1.0 1.80 4.39 694 502 A 64 HIS HD2 A 65 THR H 1.0 1.80 5.16 695 503 A 64 HIS HD2 A 65 THR HG2% 1.0 1.80 4.65 696 504 A 64 HIS HE1 A 67 ILE HD1% 1.0 1.80 4.31 697 505 A 65 THR HG2% A 65 THR HA 1.0 1.80 4.04 698 506 A 67 ILE H A 65 THR HA 1.0 1.80 4.81 699 507 A 65 THR HA A 68 HIS H 1.0 1.80 4.58 700 508 A 68 HIS HD2 A 65 THR HA 1.0 1.80 4.08 701 509 A 65 THR HB A 66 ARG H 1.0 1.80 4.58 702 510 A 65 THR H A 65 THR HB 1.0 1.80 3.99 703 511 A 65 THR HG2% A 65 THR H 1.0 1.80 3.73 704 512 A 65 THR H A 66 ARG H 1.0 1.80 3.74 705 513 A 65 THR H A 66 ARG HBx 1.0 1.80 5.19 706 513 A 65 THR H A 66 ARG HBy 1.0 1.80 5.19 707 514 A 65 THR H A 67 ILE H 1.0 1.80 5.04 708 515 A 68 HIS HD2 A 65 THR H 1.0 1.80 6.00 709 516 A 68 HIS HD2 A 65 THR HG2% 1.0 1.80 4.91 710 517 A 68 HIS H A 66 ARG HA 1.0 1.80 4.76 711 518 A 66 ARG HA A 69 SER H 1.0 1.80 4.91 712 519 A 66 ARG H A 66 ARG HDx 1.0 1.80 4.93 713 519 A 66 ARG H A 66 ARG HDy 1.0 1.80 4.93 714 520 A 66 ARG H A 67 ILE H 1.0 1.80 3.71 715 521 A 66 ARG H A 67 ILE HD1% 1.0 1.80 6.00 716 522 A 66 ARG HBx A 66 ARG HDx 1.0 1.80 4.55 717 522 A 66 ARG HBy A 66 ARG HDx 1.0 1.80 4.55 718 522 A 66 ARG HDy A 66 ARG HBx 1.0 1.80 4.55 719 522 A 66 ARG HDy A 66 ARG HBy 1.0 1.80 4.55 720 523 A 67 ILE H A 66 ARG HBx 1.0 1.80 4.35 721 523 A 66 ARG HBy A 67 ILE H 1.0 1.80 4.35 722 524 A 67 ILE H A 66 ARG HDx 1.0 1.80 5.53 723 524 A 66 ARG HDy A 67 ILE H 1.0 1.80 5.53 724 525 A 67 ILE HG2% A 66 ARG HDx 1.0 1.80 6.00 725 525 A 66 ARG HDy A 67 ILE HG2% 1.0 1.80 6.00 726 526 A 67 ILE HD1% A 67 ILE HA 1.0 1.80 4.74 727 527 A 67 ILE HG2% A 67 ILE HA 1.0 1.80 3.86 728 528 A 67 ILE HD1% A 67 ILE HB 1.0 1.80 3.74 729 529 A 68 HIS H A 67 ILE HB 1.0 1.80 4.81 730 530 A 67 ILE H A 67 ILE HB 1.0 1.80 3.63 731 531 A 67 ILE H A 67 ILE HD1% 1.0 1.80 4.72 732 532 A 67 ILE H A 67 ILE HG1x 1.0 1.80 4.65 733 532 A 67 ILE H A 67 ILE HG1y 1.0 1.80 4.65 734 533 A 67 ILE H A 67 ILE HG2% 1.0 1.80 3.64 735 534 A 67 ILE H A 68 HIS H 1.0 1.80 3.59 736 535 A 67 ILE HD1% A 68 HIS H 1.0 1.80 4.35 737 536 A 68 HIS H A 67 ILE HG1x 1.0 1.80 4.98 738 536 A 68 HIS H A 67 ILE HG1y 1.0 1.80 4.98 739 537 A 67 ILE HG2% A 68 HIS H 1.0 1.80 4.71 740 538 A 68 HIS HD2 A 67 ILE HG2% 1.0 1.80 5.84 741 539 A 68 HIS HE1 A 67 ILE HG2% 1.0 1.80 5.12 742 540 A 68 HIS HD2 A 68 HIS H 1.0 1.80 5.31 743 541 A 68 HIS H A 69 SER H 1.0 1.80 3.95 744 542 A 69 SER HA A 71 GLU H 1.0 1.80 5.21 745 543 A 69 SER H A 69 SER HBx 1.0 1.80 4.04 746 543 A 69 SER H A 69 SER HBy 1.0 1.80 4.04 747 544 A 69 SER H A 70 GLY H 1.0 1.80 5.20 748 545 A 70 GLY H A 69 SER HBx 1.0 1.80 5.37 749 545 A 69 SER HBy A 70 GLY H 1.0 1.80 5.37 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin undefined _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 B 1 ZN ZN A 20 CYS SG 1.0 2.32 2.32 2 2 B 1 ZN ZN A 23 CYS SG 1.0 2.32 2.32 3 3 B 1 ZN ZN A 36 HIS NE2 1.0 2.12 2.12 4 4 B 1 ZN ZN A 40 HIS NE2 1.0 2.12 2.12 5 5 3 1 ZN ZN A 48 CYS SG 1.0 2.32 2.32 6 6 3 1 ZN ZN A 51 CYS SG 1.0 2.32 2.32 7 7 3 1 ZN ZN A 64 HIS NE2 1.0 2.12 2.12 8 8 3 1 ZN ZN A 68 HIS NE2 1.0 2.12 2.12 9 9 A 36 HIS NE2 A 40 HIS NE2 1.0 3.10 3.50 10 10 A 20 CYS SG A 36 HIS NE2 1.0 3.40 3.80 11 11 A 23 CYS SG A 36 HIS NE2 1.0 3.40 3.80 12 12 A 20 CYS SG A 40 HIS NE2 1.0 3.40 3.80 13 13 A 23 CYS SG A 40 HIS NE2 1.0 3.40 3.80 14 14 A 20 CYS SG A 23 CYS SG 1.0 3.60 3.90 15 15 A 64 HIS NE2 A 68 HIS NE2 1.0 3.10 3.50 16 16 A 48 CYS SG A 64 HIS NE2 1.0 3.40 3.80 17 17 A 51 CYS SG A 64 HIS NE2 1.0 3.40 3.80 18 18 A 48 CYS SG A 68 HIS NE2 1.0 3.40 3.80 19 19 A 51 CYS SG A 68 HIS NE2 1.0 3.40 3.80 20 20 A 48 CYS SG A 51 CYS SG 1.0 3.60 3.90 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 14 SER C A 15 ASP N A 15 ASP CA A 15 ASP C 1.0 -146.9 -51.5 PHI 2 2 A 15 ASP N A 15 ASP CA A 15 ASP C A 16 LYS N 1.0 -56.5 36.1 PSI 3 3 A 15 ASP C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -130.8 -53.0 PHI 4 4 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 PRO N 1.0 59.0 186.0 PSI 5 5 A 17 PRO C A 18 TYR N A 18 TYR CA A 18 TYR C 1.0 -165.4 -50.8 PHI 6 6 A 18 TYR N A 18 TYR CA A 18 TYR C A 19 LYS N 1.0 68.0 176.0 PSI 7 7 A 18 TYR C A 19 LYS N A 19 LYS CA A 19 LYS C 1.0 -139.8 -63.6 PHI 8 8 A 19 LYS N A 19 LYS CA A 19 LYS C A 20 CYS N 1.0 103.6 152.8 PSI 9 9 A 19 LYS C A 20 CYS N A 20 CYS CA A 20 CYS C 1.0 -158.7 -18.7 PHI 10 10 A 20 CYS N A 20 CYS CA A 20 CYS C A 21 ASP N 1.0 67.3 207.3 PSI 11 11 A 21 ASP C A 22 ARG N A 22 ARG CA A 22 ARG C 1.0 -141.6 -69.0 PHI 12 12 A 22 ARG N A 22 ARG CA A 22 ARG C A 23 CYS N 1.0 -51.0 15.0 PSI 13 13 A 22 ARG C A 23 CYS N A 23 CYS CA A 23 CYS C 1.0 -176.3 -73.3 PHI 14 14 A 23 CYS N A 23 CYS CA A 23 CYS C A 24 GLN N 1.0 -216.4 -142.2 PSI 15 15 A 25 ALA C A 26 SER N A 26 SER CA A 26 SER C 1.0 -160.5 -72.3 PHI 16 16 A 26 SER N A 26 SER CA A 26 SER C A 27 PHE N 1.0 135.2 184.6 PSI 17 17 A 26 SER C A 27 PHE N A 27 PHE CA A 27 PHE C 1.0 -187.5 -68.7 PHI 18 18 A 27 PHE N A 27 PHE CA A 27 PHE C A 28 ARG N 1.0 135.7 175.7 PSI 19 19 A 27 PHE C A 28 ARG N A 28 ARG CA A 28 ARG C 1.0 -95.1 -55.1 PHI 20 20 A 28 ARG N A 28 ARG CA A 28 ARG C A 29 TYR N 1.0 -52.8 -1.4 PSI 21 21 A 28 ARG C A 29 TYR N A 29 TYR CA A 29 TYR C 1.0 -171.4 -88.8 PHI 22 22 A 29 TYR N A 29 TYR CA A 29 TYR C A 30 LYS N 1.0 130.6 173.4 PSI 23 23 A 29 TYR C A 30 LYS N A 30 LYS CA A 30 LYS C 1.0 -76.7 -36.7 PHI 24 24 A 30 LYS N A 30 LYS CA A 30 LYS C A 31 GLY N 1.0 -61.6 -21.6 PSI 25 25 A 30 LYS C A 31 GLY N A 31 GLY CA A 31 GLY C 1.0 -85.5 -45.5 PHI 26 26 A 31 GLY N A 31 GLY CA A 31 GLY C A 32 ASN N 1.0 -60.4 -12.0 PSI 27 27 A 31 GLY C A 32 ASN N A 32 ASN CA A 32 ASN C 1.0 -86.5 -46.5 PHI 28 28 A 32 ASN N A 32 ASN CA A 32 ASN C A 33 LEU N 1.0 -56.6 -16.4 PSI 29 29 A 32 ASN C A 33 LEU N A 33 LEU CA A 33 LEU C 1.0 -86.7 -46.7 PHI 30 30 A 33 LEU N A 33 LEU CA A 33 LEU C A 34 ALA N 1.0 -62.9 -22.9 PSI 31 31 A 33 LEU C A 34 ALA N A 34 ALA CA A 34 ALA C 1.0 -85.0 -45.0 PHI 32 32 A 34 ALA N A 34 ALA CA A 34 ALA C A 35 SER N 1.0 -59.2 -19.2 PSI 33 33 A 34 ALA C A 35 SER N A 35 SER CA A 35 SER C 1.0 -86.7 -46.7 PHI 34 34 A 35 SER N A 35 SER CA A 35 SER C A 36 HIS N 1.0 -60.5 -20.5 PSI 35 35 A 35 SER C A 36 HIS N A 36 HIS CA A 36 HIS C 1.0 -83.2 -43.2 PHI 36 36 A 36 HIS N A 36 HIS CA A 36 HIS C A 37 LYS N 1.0 -64.3 -24.3 PSI 37 37 A 36 HIS C A 37 LYS N A 37 LYS CA A 37 LYS C 1.0 -81.6 -41.6 PHI 38 38 A 37 LYS N A 37 LYS CA A 37 LYS C A 38 THR N 1.0 -62.9 -22.9 PSI 39 39 A 37 LYS C A 38 THR N A 38 THR CA A 38 THR C 1.0 -84.1 -44.1 PHI 40 40 A 38 THR N A 38 THR CA A 38 THR C A 39 VAL N 1.0 -57.3 -17.3 PSI 41 41 A 38 THR C A 39 VAL N A 39 VAL CA A 39 VAL C 1.0 -87.8 -47.8 PHI 42 42 A 39 VAL N A 39 VAL CA A 39 VAL C A 40 HIS N 1.0 -52.5 -11.7 PSI 43 43 A 39 VAL C A 40 HIS N A 40 HIS CA A 40 HIS C 1.0 -125.0 -62.0 PHI 44 44 A 40 HIS N A 40 HIS CA A 40 HIS C A 41 THR N 1.0 -42.4 31.4 PSI 45 45 A 45 PRO C A 46 TYR N A 46 TYR CA A 46 TYR C 1.0 -167.9 -51.5 PHI 46 46 A 46 TYR N A 46 TYR CA A 46 TYR C A 47 ARG N 1.0 91.4 179.6 PSI 47 47 A 46 TYR C A 47 ARG N A 47 ARG CA A 47 ARG C 1.0 -138.1 -98.1 PHI 48 48 A 47 ARG N A 47 ARG CA A 47 ARG C A 48 CYS N 1.0 105.1 147.1 PSI 49 49 A 47 ARG C A 48 CYS N A 48 CYS CA A 48 CYS C 1.0 -140.1 -8.3 PHI 50 50 A 48 CYS N A 48 CYS CA A 48 CYS C A 49 ASN N 1.0 106.2 146.2 PSI 51 51 A 48 CYS C A 49 ASN N A 49 ASN CA A 49 ASN C 1.0 -81.4 -41.4 PHI 52 52 A 49 ASN N A 49 ASN CA A 49 ASN C A 50 ILE N 1.0 -60.5 13.9 PSI 53 53 A 49 ASN C A 50 ILE N A 50 ILE CA A 50 ILE C 1.0 -117.1 -47.3 PHI 54 54 A 50 ILE N A 50 ILE CA A 50 ILE C A 51 CYS N 1.0 -65.4 -4.2 PSI 55 55 A 52 GLY C A 53 ALA N A 53 ALA CA A 53 ALA C 1.0 -116.1 -39.1 PHI 56 56 A 53 ALA N A 53 ALA CA A 53 ALA C A 54 GLN N 1.0 84.9 187.9 PSI 57 57 A 53 ALA C A 54 GLN N A 54 GLN CA A 54 GLN C 1.0 -176.8 -93.2 PHI 58 58 A 54 GLN N A 54 GLN CA A 54 GLN C A 55 PHE N 1.0 129.6 186.0 PSI 59 59 A 54 GLN C A 55 PHE N A 55 PHE CA A 55 PHE C 1.0 -173.7 -102.3 PHI 60 60 A 55 PHE N A 55 PHE CA A 55 PHE C A 56 ASN N 1.0 131.0 173.4 PSI 61 61 A 55 PHE C A 56 ASN N A 56 ASN CA A 56 ASN C 1.0 -111.1 -63.5 PHI 62 62 A 56 ASN N A 56 ASN CA A 56 ASN C A 57 ARG N 1.0 -50.5 6.1 PSI 63 63 A 56 ASN C A 57 ARG N A 57 ARG CA A 57 ARG C 1.0 -167.3 -76.1 PHI 64 64 A 57 ARG N A 57 ARG CA A 57 ARG C A 58 PRO N 1.0 26.6 166.6 PSI 65 65 A 58 PRO C A 59 ALA N A 59 ALA CA A 59 ALA C 1.0 -82.6 -42.6 PHI 66 66 A 59 ALA N A 59 ALA CA A 59 ALA C A 60 ASN N 1.0 -54.7 -14.7 PSI 67 67 A 59 ALA C A 60 ASN N A 60 ASN CA A 60 ASN C 1.0 -88.6 -48.6 PHI 68 68 A 60 ASN N A 60 ASN CA A 60 ASN C A 61 LEU N 1.0 -59.3 -19.3 PSI 69 69 A 60 ASN C A 61 LEU N A 61 LEU CA A 61 LEU C 1.0 -84.3 -44.3 PHI 70 70 A 61 LEU N A 61 LEU CA A 61 LEU C A 62 LYS N 1.0 -58.3 -18.3 PSI 71 71 A 61 LEU C A 62 LYS N A 62 LYS CA A 62 LYS C 1.0 -83.9 -43.9 PHI 72 72 A 62 LYS N A 62 LYS CA A 62 LYS C A 63 THR N 1.0 -59.4 -19.4 PSI 73 73 A 62 LYS C A 63 THR N A 63 THR CA A 63 THR C 1.0 -86.1 -46.1 PHI 74 74 A 63 THR N A 63 THR CA A 63 THR C A 64 HIS N 1.0 -62.0 -22.0 PSI 75 75 A 63 THR C A 64 HIS N A 64 HIS CA A 64 HIS C 1.0 -81.4 -41.4 PHI 76 76 A 64 HIS N A 64 HIS CA A 64 HIS C A 65 THR N 1.0 -63.9 -23.9 PSI 77 77 A 64 HIS C A 65 THR N A 65 THR CA A 65 THR C 1.0 -81.4 -41.4 PHI 78 78 A 65 THR N A 65 THR CA A 65 THR C A 66 ARG N 1.0 -62.7 -22.7 PSI 79 79 A 65 THR C A 66 ARG N A 66 ARG CA A 66 ARG C 1.0 -82.5 -42.5 PHI 80 80 A 66 ARG N A 66 ARG CA A 66 ARG C A 67 ILE N 1.0 -64.4 -24.4 PSI 81 81 A 66 ARG C A 67 ILE N A 67 ILE CA A 67 ILE C 1.0 -90.7 -47.1 PHI 82 82 A 67 ILE N A 67 ILE CA A 67 ILE C A 68 HIS N 1.0 -56.6 -13.4 PSI 83 83 A 67 ILE C A 68 HIS N A 68 HIS CA A 68 HIS C 1.0 -123.1 -67.1 PHI 84 84 A 68 HIS N A 68 HIS CA A 68 HIS C A 69 SER N 1.0 -38.5 29.9 PSI stop_ save_