data_nef_c25933_2naa save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 25934 PDB 2NAA 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 93 HIS NE2 2 4 ZN ZN 1 50 HIS NE2 2 2 ZN ZN 1 74 HIS ND1 2 3 ZN ZN 1 31 HIS ND1 2 1 ZN ZN 1 21 CYS SG 2 2 ZN ZN 1 66 CYS SG 2 4 ZN ZN 1 26 CYS SG 2 2 ZN ZN 1 63 CYS SG 2 4 ZN ZN 1 52 CYS SG 2 3 ZN ZN 1 71 CYS SG 2 3 ZN ZN 1 47 CYS SG 2 2 ZN ZN 1 9 CYS SG 2 1 ZN ZN 1 12 CYS SG 2 1 ZN ZN 1 55 CYS SG 2 3 ZN ZN 1 90 CYS SG 2 4 ZN ZN 1 34 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 GLY start . false 2 A 2 ALA middle . . 3 A 3 MET middle . . 4 A 4 GLU middle . . 5 A 5 ARG middle . . 6 A 6 GLU middle . . 7 A 7 ASP middle . . 8 A 8 GLU middle . . 9 A 9 CYS middle -HG . 10 A 10 PHE middle . . 11 A 11 SER middle . . 12 A 12 CYS middle -HG . 13 A 13 GLY middle . false 14 A 14 ASP middle . . 15 A 15 ALA middle . . 16 A 16 GLY middle . false 17 A 17 GLN middle . . 18 A 18 LEU middle . . 19 A 19 VAL middle . . 20 A 20 SER middle . . 21 A 21 CYS middle -HG . 22 A 22 LYS middle . . 23 A 23 LYS middle . . 24 A 24 PRO middle . false 25 A 25 GLY middle . false 26 A 26 CYS middle -HG . 27 A 27 PRO middle . false 28 A 28 LYS middle . . 29 A 29 VAL middle . . 30 A 30 TYR middle . . 31 A 31 HIS middle -HD1 . 32 A 32 ALA middle . . 33 A 33 ASP middle . . 34 A 34 CYS middle -HG . 35 A 35 LEU middle . . 36 A 36 ASN middle . . 37 A 37 LEU middle . . 38 A 38 THR middle . . 39 A 39 LYS middle . . 40 A 40 ARG middle . . 41 A 41 PRO middle . false 42 A 42 ALA middle . . 43 A 43 GLY middle . false 44 A 44 LYS middle . . 45 A 45 TRP middle . . 46 A 46 GLU middle . . 47 A 47 CYS middle -HG . 48 A 48 PRO middle . false 49 A 49 TRP middle . . 50 A 50 HIS middle -HE2 . 51 A 51 GLN middle . . 52 A 52 CYS middle -HG . 53 A 53 ASP middle . . 54 A 54 VAL middle . . 55 A 55 CYS middle -HG . 56 A 56 GLY middle . false 57 A 57 LYS middle . . 58 A 58 GLU middle . . 59 A 59 ALA middle . . 60 A 60 ALA middle . . 61 A 61 SER middle . . 62 A 62 PHE middle . . 63 A 63 CYS middle -HG . 64 A 64 GLU middle . . 65 A 65 MET middle . . 66 A 66 CYS middle -HG . 67 A 67 PRO middle . false 68 A 68 SER middle . . 69 A 69 SER middle . . 70 A 70 PHE middle . . 71 A 71 CYS middle -HG . 72 A 72 LYS middle . . 73 A 73 GLN middle . . 74 A 74 HIS middle -HD1 . 75 A 75 ARG middle . . 76 A 76 GLU middle . . 77 A 77 GLY middle . false 78 A 78 MET middle . . 79 A 79 LEU middle . . 80 A 80 PHE middle . . 81 A 81 ILE middle . . 82 A 82 SER middle . . 83 A 83 LYS middle . . 84 A 84 LEU middle . . 85 A 85 ASP middle . . 86 A 86 GLY middle . false 87 A 87 ARG middle . . 88 A 88 LEU middle . . 89 A 89 SER middle . . 90 A 90 CYS middle -HG . 91 A 91 THR middle . . 92 A 92 GLU middle . . 93 A 93 HIS middle -HE2 . 94 A 94 ASP end . . 95 B 1 ZN . . . 96 B 2 ZN . . . 97 B 3 ZN . . . 98 B 4 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 1 GLY C C 13 170.056 0.000 A 1 GLY CA C 13 43.429 0.000 A 2 ALA H H 1 8.639 0.003 A 2 ALA HA H 1 4.337 0.011 A 2 ALA HB% H 1 1.388 0.005 A 2 ALA C C 13 177.688 0.000 A 2 ALA CA C 13 52.598 0.030 A 2 ALA CB C 13 19.375 0.026 A 2 ALA N N 15 124.503 0.021 A 3 MET H H 1 8.483 0.003 A 3 MET HA H 1 4.402 0.025 A 3 MET HBx H 1 2.019 0.011 A 3 MET HBy H 1 2.032 0.008 A 3 MET HGy H 1 2.537 0.014 A 3 MET HGx H 1 2.516 0.013 A 3 MET C C 13 176.072 0.000 A 3 MET CA C 13 55.636 0.087 A 3 MET CB C 13 32.936 0.074 A 3 MET CG C 13 32.081 0.055 A 3 MET N N 15 120.183 0.039 A 4 GLU H H 1 8.417 0.001 A 4 GLU HA H 1 4.255 0.008 A 4 GLU HBx H 1 1.902 0.002 A 4 GLU HBy H 1 1.992 0.003 A 4 GLU HGx H 1 2.235 0.025 A 4 GLU HGy H 1 2.237 0.026 A 4 GLU C C 13 175.719 0.000 A 4 GLU CA C 13 56.516 0.038 A 4 GLU CB C 13 30.209 0.052 A 4 GLU CG C 13 36.351 0.069 A 4 GLU N N 15 123.573 0.004 A 5 ARG H H 1 8.099 0.003 A 5 ARG HA H 1 4.327 0.027 A 5 ARG HBx H 1 1.744 0.006 A 5 ARG HBy H 1 1.746 0.003 A 5 ARG HD2 H 1 3.131 0.010 A 5 ARG HD3 H 1 3.131 0.010 A 5 ARG HGx H 1 1.735 0.008 A 5 ARG HGy H 1 1.738 0.012 A 5 ARG C C 13 175.991 0.000 A 5 ARG CA C 13 55.879 0.086 A 5 ARG CB C 13 31.336 0.023 A 5 ARG CD C 13 43.176 0.033 A 5 ARG CG C 13 27.118 0.084 A 5 ARG N N 15 121.879 0.065 A 6 GLU H H 1 8.560 0.003 A 6 GLU HA H 1 4.245 0.075 A 6 GLU HBx H 1 2.038 0.000 A 6 GLU HBy H 1 2.131 0.041 A 6 GLU HGy H 1 2.207 0.031 A 6 GLU HGx H 1 2.202 0.031 A 6 GLU C C 13 174.941 0.000 A 6 GLU CA C 13 56.775 0.027 A 6 GLU CB C 13 30.421 0.051 A 6 GLU CG C 13 37.236 0.090 A 6 GLU N N 15 124.508 0.025 A 7 ASP H H 1 8.237 0.004 A 7 ASP HA H 1 4.520 0.005 A 7 ASP HB2 H 1 2.565 0.004 A 7 ASP HB3 H 1 2.565 0.004 A 7 ASP C C 13 174.744 0.000 A 7 ASP CA C 13 53.697 0.003 A 7 ASP CB C 13 42.222 0.029 A 7 ASP N N 15 117.067 0.070 A 8 GLU H H 1 7.005 0.004 A 8 GLU HA H 1 4.083 0.013 A 8 GLU HBy H 1 1.628 0.014 A 8 GLU HBx H 1 1.504 0.007 A 8 GLU HGx H 1 2.027 0.021 A 8 GLU HGy H 1 2.027 0.020 A 8 GLU C C 13 173.257 0.000 A 8 GLU CA C 13 54.382 0.022 A 8 GLU CB C 13 32.438 0.190 A 8 GLU CG C 13 36.158 0.018 A 8 GLU N N 15 116.268 0.034 A 9 CYS H H 1 8.220 0.002 A 9 CYS HA H 1 4.157 0.011 A 9 CYS HBy H 1 3.432 0.008 A 9 CYS HBx H 1 2.116 0.017 A 9 CYS C C 13 178.384 0.000 A 9 CYS CA C 13 57.640 0.064 A 9 CYS CB C 13 31.396 0.056 A 9 CYS N N 15 124.211 0.018 A 10 PHE H H 1 8.765 0.002 A 10 PHE HA H 1 4.695 0.028 A 10 PHE HBx H 1 2.465 0.016 A 10 PHE HBy H 1 3.520 0.025 A 10 PHE HDx H 1 7.184 0.005 A 10 PHE HDy H 1 7.184 0.005 A 10 PHE HEx H 1 6.433 0.003 A 10 PHE HEy H 1 6.433 0.003 A 10 PHE HZ H 1 5.834 0.002 A 10 PHE C C 13 176.194 0.000 A 10 PHE CA C 13 55.935 0.078 A 10 PHE CB C 13 38.279 0.083 A 10 PHE CDx C 13 130.505 0.049 A 10 PHE CDy C 13 130.505 0.049 A 10 PHE N N 15 131.759 0.025 A 11 SER H H 1 8.686 0.003 A 11 SER HA H 1 4.331 0.002 A 11 SER HBx H 1 4.014 0.046 A 11 SER HBy H 1 4.089 0.046 A 11 SER C C 13 175.836 0.000 A 11 SER CA C 13 61.956 0.008 A 11 SER CB C 13 63.774 0.086 A 11 SER N N 15 114.027 0.049 A 12 CYS H H 1 8.195 0.003 A 12 CYS HA H 1 5.121 0.007 A 12 CYS HBx H 1 2.995 0.008 A 12 CYS HBy H 1 3.346 0.020 A 12 CYS C C 13 176.817 0.000 A 12 CYS CA C 13 58.693 0.027 A 12 CYS CB C 13 32.837 0.019 A 12 CYS N N 15 118.224 0.038 A 13 GLY H H 1 8.385 0.003 A 13 GLY HAy H 1 4.286 0.005 A 13 GLY HAx H 1 3.816 0.018 A 13 GLY C C 13 173.093 0.000 A 13 GLY CA C 13 46.346 0.056 A 13 GLY N N 15 114.509 0.020 A 14 ASP H H 1 8.512 0.002 A 14 ASP HA H 1 5.294 0.004 A 14 ASP HBy H 1 2.992 0.022 A 14 ASP HBx H 1 2.948 0.013 A 14 ASP C C 13 176.111 0.000 A 14 ASP CA C 13 53.304 0.139 A 14 ASP CB C 13 43.175 0.033 A 14 ASP N N 15 122.123 0.020 A 15 ALA H H 1 8.538 0.002 A 15 ALA HA H 1 4.679 0.009 A 15 ALA HB% H 1 1.596 0.011 A 15 ALA C C 13 177.375 0.000 A 15 ALA CA C 13 51.216 0.118 A 15 ALA CB C 13 19.842 0.040 A 15 ALA N N 15 123.765 0.018 A 16 GLY H H 1 8.304 0.003 A 16 GLY HAy H 1 4.560 0.061 A 16 GLY HAx H 1 3.782 0.006 A 16 GLY C C 13 172.132 0.000 A 16 GLY CA C 13 45.320 0.043 A 16 GLY N N 15 108.898 0.023 A 17 GLN H H 1 8.887 0.004 A 17 GLN HA H 1 4.359 0.006 A 17 GLN HBy H 1 2.120 0.004 A 17 GLN HBx H 1 2.119 0.004 A 17 GLN HGy H 1 2.362 0.012 A 17 GLN HGx H 1 2.352 0.004 A 17 GLN C C 13 175.263 0.000 A 17 GLN CA C 13 55.779 0.028 A 17 GLN CB C 13 27.927 0.016 A 17 GLN CG C 13 33.829 0.015 A 17 GLN N N 15 125.473 0.040 A 18 LEU H H 1 8.322 0.004 A 18 LEU HA H 1 4.714 0.015 A 18 LEU HBx H 1 1.032 0.012 A 18 LEU HBy H 1 1.501 0.011 A 18 LEU HDy% H 1 1.245 0.013 A 18 LEU HG H 1 0.486 0.011 A 18 LEU C C 13 177.078 0.000 A 18 LEU CA C 13 53.755 0.043 A 18 LEU CB C 13 44.191 0.081 A 18 LEU CDx C 13 22.568 0.041 A 18 LEU CDy C 13 25.690 0.050 A 18 LEU CG C 13 26.216 0.031 A 18 LEU N N 15 127.246 0.071 A 19 VAL H H 1 9.789 0.005 A 19 VAL HA H 1 4.547 0.007 A 19 VAL HB H 1 2.056 0.007 A 19 VAL HGx% H 1 0.787 0.011 A 19 VAL HGy% H 1 0.793 0.013 A 19 VAL C C 13 175.238 0.000 A 19 VAL CA C 13 59.975 0.028 A 19 VAL CB C 13 33.809 0.038 A 19 VAL CGy C 13 21.186 0.102 A 19 VAL CGx C 13 19.712 0.052 A 19 VAL N N 15 121.280 0.033 A 20 SER H H 1 8.638 0.012 A 20 SER HA H 1 5.062 0.011 A 20 SER HBx H 1 3.893 0.022 A 20 SER HBy H 1 3.994 0.024 A 20 SER C C 13 174.439 0.000 A 20 SER CA C 13 57.132 0.037 A 20 SER CB C 13 64.811 0.019 A 20 SER N N 15 118.562 0.102 A 21 CYS H H 1 8.132 0.014 A 21 CYS HA H 1 4.311 0.011 A 21 CYS HBx H 1 2.733 0.019 A 21 CYS HBy H 1 3.120 0.019 A 21 CYS CA C 13 61.656 0.024 A 21 CYS CB C 13 31.029 0.065 A 21 CYS N N 15 125.432 0.017 A 22 LYS H H 1 8.294 0.006 A 22 LYS HA H 1 4.648 0.000 A 22 LYS C C 13 177.460 0.000 A 22 LYS N N 15 125.587 0.027 A 23 LYS H H 1 9.496 0.005 A 23 LYS HA H 1 4.385 0.009 A 23 LYS HB2 H 1 1.037 0.008 A 23 LYS HB3 H 1 1.036 0.008 A 23 LYS HDy H 1 0.854 0.004 A 23 LYS HDx H 1 0.649 0.002 A 23 LYS HEx H 1 2.736 0.009 A 23 LYS HEy H 1 2.736 0.008 A 23 LYS HGy H 1 1.044 0.009 A 23 LYS HGx H 1 0.853 0.006 A 23 LYS CA C 13 55.222 0.055 A 23 LYS CB C 13 33.949 0.056 A 23 LYS CD C 13 27.854 0.081 A 23 LYS CE C 13 41.973 0.028 A 23 LYS CG C 13 24.372 0.056 A 23 LYS N N 15 130.703 0.017 A 24 PRO HA H 1 4.198 0.013 A 24 PRO HBx H 1 1.855 0.005 A 24 PRO HBy H 1 2.262 0.004 A 24 PRO HD2 H 1 3.503 0.016 A 24 PRO HD3 H 1 3.504 0.015 A 24 PRO HGy H 1 2.125 0.004 A 24 PRO HGx H 1 1.953 0.012 A 24 PRO C C 13 177.835 0.000 A 24 PRO CA C 13 64.454 0.034 A 24 PRO CB C 13 31.420 0.074 A 24 PRO CD C 13 51.008 0.034 A 24 PRO CG C 13 27.926 0.070 A 25 GLY H H 1 8.823 0.002 A 25 GLY HAx H 1 3.625 0.003 A 25 GLY HAy H 1 4.194 0.005 A 25 GLY C C 13 173.630 0.000 A 25 GLY CA C 13 45.200 0.049 A 25 GLY N N 15 114.246 0.045 A 26 CYS H H 1 8.076 0.004 A 26 CYS HA H 1 5.014 0.009 A 26 CYS HBx H 1 2.661 0.013 A 26 CYS HBy H 1 3.447 0.014 A 26 CYS CA C 13 56.747 0.069 A 26 CYS CB C 13 32.711 0.063 A 26 CYS N N 15 126.002 0.017 A 27 PRO HA H 1 4.802 0.003 A 27 PRO HBx H 1 1.955 0.009 A 27 PRO HBy H 1 2.165 0.014 A 27 PRO HDx H 1 3.518 0.004 A 27 PRO HDy H 1 4.170 0.012 A 27 PRO HGy H 1 2.164 0.006 A 27 PRO HGx H 1 1.447 0.011 A 27 PRO C C 13 175.970 0.000 A 27 PRO CA C 13 63.334 0.035 A 27 PRO CB C 13 32.920 0.035 A 27 PRO CD C 13 50.997 0.178 A 27 PRO CG C 13 26.020 0.072 A 28 LYS H H 1 8.353 0.008 A 28 LYS HA H 1 3.889 0.005 A 28 LYS HBy H 1 2.209 0.020 A 28 LYS HBx H 1 1.144 0.034 A 28 LYS HDx H 1 0.164 0.013 A 28 LYS HDy H 1 1.041 0.012 A 28 LYS HEy H 1 1.610 0.003 A 28 LYS HGy H 1 0.637 0.008 A 28 LYS C C 13 175.961 0.000 A 28 LYS CA C 13 55.327 0.088 A 28 LYS CB C 13 32.132 0.092 A 28 LYS CD C 13 24.899 0.069 A 28 LYS CE C 13 41.817 0.069 A 28 LYS CG C 13 27.038 0.032 A 28 LYS N N 15 121.413 0.060 A 29 VAL H H 1 8.346 0.007 A 29 VAL HA H 1 5.286 0.004 A 29 VAL HB H 1 1.797 0.016 A 29 VAL HGx% H 1 0.784 0.011 A 29 VAL HGy% H 1 0.363 0.014 A 29 VAL C C 13 174.480 0.000 A 29 VAL CA C 13 58.616 0.030 A 29 VAL CB C 13 35.526 0.060 A 29 VAL CGy C 13 22.104 0.024 A 29 VAL CGx C 13 20.471 0.052 A 29 VAL N N 15 115.183 0.055 A 30 TYR H H 1 8.792 0.002 A 30 TYR HA H 1 5.821 0.009 A 30 TYR HBx H 1 2.362 0.013 A 30 TYR HBy H 1 3.122 0.015 A 30 TYR HDx H 1 7.186 0.013 A 30 TYR HDy H 1 7.186 0.013 A 30 TYR HEx H 1 6.836 0.004 A 30 TYR HEy H 1 6.836 0.004 A 30 TYR C C 13 177.221 0.000 A 30 TYR CA C 13 56.989 0.081 A 30 TYR CB C 13 45.110 0.032 A 30 TYR N N 15 114.639 0.023 A 31 HIS H H 1 9.164 0.011 A 31 HIS HA H 1 4.890 0.018 A 31 HIS HBy H 1 3.852 0.014 A 31 HIS HBx H 1 3.625 0.009 A 31 HIS HD2 H 1 7.381 0.009 A 31 HIS HE1 H 1 7.351 0.007 A 31 HIS HE2 H 1 11.309 0.000 A 31 HIS C C 13 177.595 0.000 A 31 HIS CA C 13 58.141 0.079 A 31 HIS CB C 13 30.737 0.048 A 31 HIS CD2 C 13 118.944 0.049 A 31 HIS CE1 C 13 139.005 0.129 A 31 HIS N N 15 121.470 0.044 A 31 HIS NE2 N 15 168.006 0.000 A 32 ALA H H 1 9.768 0.014 A 32 ALA HA H 1 3.829 0.007 A 32 ALA HB% H 1 1.328 0.007 A 32 ALA C C 13 180.494 0.000 A 32 ALA CA C 13 56.044 0.026 A 32 ALA CB C 13 17.179 0.044 A 32 ALA N N 15 129.786 0.049 A 33 ASP H H 1 8.832 0.004 A 33 ASP HA H 1 4.521 0.005 A 33 ASP HBx H 1 2.669 0.016 A 33 ASP HBy H 1 2.708 0.028 A 33 ASP C C 13 179.006 0.000 A 33 ASP CA C 13 56.541 0.021 A 33 ASP CB C 13 40.316 0.014 A 33 ASP N N 15 114.332 0.040 A 34 CYS H H 1 7.364 0.006 A 34 CYS HA H 1 4.224 0.014 A 34 CYS HBy H 1 3.330 0.023 A 34 CYS HBx H 1 3.291 0.020 A 34 CYS C C 13 175.978 0.000 A 34 CYS CA C 13 63.491 0.065 A 34 CYS CB C 13 28.925 0.024 A 34 CYS N N 15 119.035 0.025 A 35 LEU H H 1 7.135 0.010 A 35 LEU HA H 1 4.404 0.017 A 35 LEU HBy H 1 1.664 0.057 A 35 LEU HBx H 1 1.579 0.009 A 35 LEU HDx% H 1 0.612 0.016 A 35 LEU HDy% H 1 0.522 0.022 A 35 LEU C C 13 176.327 0.000 A 35 LEU CA C 13 53.966 0.031 A 35 LEU CB C 13 42.982 0.059 A 35 LEU CDx C 13 22.311 0.033 A 35 LEU CDy C 13 26.375 0.045 A 35 LEU N N 15 118.363 0.029 A 36 ASN H H 1 7.974 0.006 A 36 ASN HA H 1 4.461 0.001 A 36 ASN HBx H 1 2.787 0.014 A 36 ASN HBy H 1 2.992 0.003 A 36 ASN C C 13 175.075 0.000 A 36 ASN CA C 13 54.055 0.022 A 36 ASN CB C 13 37.552 0.035 A 36 ASN N N 15 116.501 0.022 A 37 LEU H H 1 7.953 0.021 A 37 LEU HA H 1 4.472 0.003 A 37 LEU HB2 H 1 1.538 0.023 A 37 LEU HB3 H 1 1.537 0.024 A 37 LEU HDx% H 1 0.788 0.008 A 37 LEU HDy% H 1 0.598 0.019 A 37 LEU HG H 1 1.579 0.016 A 37 LEU C C 13 178.114 0.000 A 37 LEU CA C 13 54.421 0.109 A 37 LEU CB C 13 42.937 0.045 A 37 LEU CDx C 13 22.601 0.012 A 37 LEU CDy C 13 25.192 0.065 A 37 LEU CG C 13 26.384 0.067 A 37 LEU N N 15 119.139 0.039 A 38 THR H H 1 8.465 0.014 A 38 THR HA H 1 4.224 0.031 A 38 THR HB H 1 4.289 0.024 A 38 THR HG2% H 1 1.201 0.003 A 38 THR C C 13 174.325 0.000 A 38 THR CA C 13 62.608 0.021 A 38 THR CB C 13 69.163 0.014 A 38 THR CG2 C 13 21.786 0.023 A 38 THR N N 15 113.698 0.105 A 39 LYS H H 1 7.595 0.003 A 39 LYS HA H 1 4.383 0.032 A 39 LYS HBx H 1 1.654 0.007 A 39 LYS HBy H 1 1.821 0.002 A 39 LYS HD2 H 1 1.652 0.009 A 39 LYS HD3 H 1 1.652 0.009 A 39 LYS HE2 H 1 2.948 0.001 A 39 LYS HE3 H 1 2.948 0.001 A 39 LYS HGx H 1 1.319 0.006 A 39 LYS HGy H 1 1.320 0.006 A 39 LYS C C 13 175.570 0.000 A 39 LYS CA C 13 54.864 0.033 A 39 LYS CB C 13 34.079 0.044 A 39 LYS CD C 13 29.033 0.086 A 39 LYS CE C 13 41.994 0.000 A 39 LYS CG C 13 24.135 0.029 A 39 LYS N N 15 120.070 0.156 A 40 ARG H H 1 8.372 0.001 A 40 ARG HA H 1 4.163 0.004 A 40 ARG HB2 H 1 1.674 0.003 A 40 ARG HB3 H 1 1.674 0.003 A 40 ARG HD2 H 1 3.100 0.005 A 40 ARG HD3 H 1 3.100 0.005 A 40 ARG HGy H 1 1.574 0.012 A 40 ARG HGx H 1 1.512 0.010 A 40 ARG CA C 13 54.474 0.019 A 40 ARG CB C 13 29.745 0.050 A 40 ARG CD C 13 43.240 0.099 A 40 ARG CG C 13 27.062 0.107 A 40 ARG N N 15 123.383 0.001 A 41 PRO HA H 1 4.081 0.017 A 41 PRO HBx H 1 1.518 0.005 A 41 PRO HBy H 1 1.653 0.007 A 41 PRO HDx H 1 3.227 0.013 A 41 PRO HDy H 1 3.470 0.006 A 41 PRO HGx H 1 0.985 0.009 A 41 PRO HGy H 1 1.244 0.008 A 41 PRO C C 13 176.215 0.000 A 41 PRO CA C 13 63.151 0.046 A 41 PRO CB C 13 32.154 0.178 A 41 PRO CD C 13 50.313 0.102 A 41 PRO CG C 13 26.911 0.076 A 42 ALA H H 1 8.368 0.013 A 42 ALA HA H 1 4.447 0.006 A 42 ALA HB% H 1 1.432 0.013 A 42 ALA C C 13 177.947 0.000 A 42 ALA CA C 13 51.741 0.014 A 42 ALA CB C 13 20.295 0.034 A 42 ALA N N 15 126.233 0.009 A 43 GLY H H 1 8.499 0.002 A 43 GLY HA2 H 1 3.940 0.013 A 43 GLY HA3 H 1 3.940 0.013 A 43 GLY C C 13 174.630 0.000 A 43 GLY CA C 13 45.871 0.115 A 43 GLY N N 15 108.071 0.113 A 44 LYS H H 1 8.485 0.000 A 44 LYS HA H 1 4.325 0.011 A 44 LYS HBy H 1 1.866 0.003 A 44 LYS HBx H 1 1.727 0.016 A 44 LYS HDx H 1 1.695 0.009 A 44 LYS HDy H 1 1.696 0.008 A 44 LYS HE2 H 1 2.961 0.010 A 44 LYS HE3 H 1 2.961 0.010 A 44 LYS HGy H 1 1.437 0.004 A 44 LYS HGx H 1 1.329 0.003 A 44 LYS CA C 13 56.012 0.083 A 44 LYS CB C 13 31.307 0.063 A 44 LYS CD C 13 29.036 0.000 A 44 LYS CG C 13 25.051 0.105 A 44 LYS N N 15 123.859 0.000 A 45 TRP H H 1 7.419 0.022 A 45 TRP HA H 1 4.317 0.010 A 45 TRP HBx H 1 3.144 0.032 A 45 TRP HBy H 1 3.179 0.016 A 45 TRP HD1 H 1 7.292 0.013 A 45 TRP HE1 H 1 9.975 0.004 A 45 TRP HE3 H 1 7.536 0.006 A 45 TRP HH2 H 1 6.576 0.008 A 45 TRP HZ2 H 1 7.217 0.006 A 45 TRP HZ3 H 1 6.719 0.006 A 45 TRP CA C 13 58.972 0.080 A 45 TRP CB C 13 29.468 0.029 A 45 TRP CD1 C 13 127.293 0.062 A 45 TRP CE3 C 13 121.278 0.153 A 45 TRP CH2 C 13 123.519 0.107 A 45 TRP CZ2 C 13 113.881 0.191 A 45 TRP CZ3 C 13 120.538 0.158 A 45 TRP N N 15 124.364 0.043 A 45 TRP NE1 N 15 130.582 0.038 A 46 GLU H H 1 7.623 0.002 A 46 GLU HA H 1 4.623 0.006 A 46 GLU CA C 13 53.864 0.000 A 46 GLU N N 15 124.890 0.058 A 47 CYS H H 1 9.574 0.003 A 47 CYS HA H 1 4.623 0.006 A 47 CYS HBy H 1 2.475 0.000 A 47 CYS HBx H 1 1.733 0.000 A 47 CYS N N 15 130.384 0.060 A 48 PRO HA H 1 4.704 0.005 A 48 PRO HBx H 1 2.004 0.008 A 48 PRO HBy H 1 2.441 0.008 A 48 PRO HDx H 1 3.149 0.008 A 48 PRO HDy H 1 3.516 0.006 A 48 PRO HGy H 1 2.016 0.006 A 48 PRO HGx H 1 1.985 0.038 A 48 PRO C C 13 177.973 0.000 A 48 PRO CA C 13 64.380 0.022 A 48 PRO CB C 13 31.545 0.079 A 48 PRO CD C 13 50.439 0.056 A 48 PRO CG C 13 27.654 0.076 A 49 TRP H H 1 8.504 0.007 A 49 TRP HA H 1 5.248 0.004 A 49 TRP HBx H 1 2.356 0.011 A 49 TRP HBy H 1 3.092 0.010 A 49 TRP HD1 H 1 7.585 0.022 A 49 TRP HE1 H 1 11.490 0.003 A 49 TRP HE3 H 1 7.214 0.011 A 49 TRP HH2 H 1 6.997 0.003 A 49 TRP HZ2 H 1 7.602 0.005 A 49 TRP HZ3 H 1 6.811 0.017 A 49 TRP C C 13 179.054 0.000 A 49 TRP CA C 13 56.304 0.050 A 49 TRP CB C 13 31.375 0.067 A 49 TRP CD1 C 13 124.832 0.125 A 49 TRP CE3 C 13 120.715 0.092 A 49 TRP CH2 C 13 124.619 0.081 A 49 TRP CZ2 C 13 115.404 0.097 A 49 TRP CZ3 C 13 121.664 0.384 A 49 TRP N N 15 124.314 0.029 A 49 TRP NE1 N 15 132.183 0.024 A 50 HIS H H 1 7.178 0.004 A 50 HIS HA H 1 4.479 0.010 A 50 HIS HBy H 1 3.688 0.016 A 50 HIS HBx H 1 3.056 0.013 A 50 HIS HD2 H 1 7.883 0.010 A 50 HIS HE1 H 1 8.148 0.003 A 50 HIS C C 13 175.070 0.000 A 50 HIS CA C 13 56.068 0.030 A 50 HIS CB C 13 28.267 0.076 A 50 HIS CD2 C 13 132.627 0.060 A 50 HIS CE1 C 13 139.878 0.170 A 50 HIS N N 15 110.531 0.022 A 51 GLN H H 1 7.243 0.003 A 51 GLN HA H 1 4.638 0.020 A 51 GLN HBx H 1 1.711 0.013 A 51 GLN HBy H 1 1.713 0.017 A 51 GLN HE21 H 1 8.020 0.002 A 51 GLN HE22 H 1 6.350 0.001 A 51 GLN HGy H 1 2.382 0.011 A 51 GLN HGx H 1 2.006 0.009 A 51 GLN C C 13 172.785 0.000 A 51 GLN CA C 13 54.266 0.031 A 51 GLN CB C 13 30.779 0.065 A 51 GLN CG C 13 33.657 0.078 A 51 GLN N N 15 118.176 0.032 A 51 GLN NE2 N 15 113.391 0.017 A 52 CYS H H 1 9.344 0.004 A 52 CYS HA H 1 4.049 0.010 A 52 CYS HBy H 1 3.353 0.017 A 52 CYS HBx H 1 2.732 0.005 A 52 CYS C C 13 177.807 0.000 A 52 CYS CA C 13 58.257 0.031 A 52 CYS CB C 13 31.165 0.025 A 52 CYS N N 15 123.532 0.011 A 53 ASP H H 1 9.185 0.010 A 53 ASP HA H 1 4.190 0.010 A 53 ASP HBx H 1 2.459 0.008 A 53 ASP HBy H 1 2.728 0.003 A 53 ASP C C 13 176.732 0.000 A 53 ASP CA C 13 57.384 0.036 A 53 ASP CB C 13 41.122 0.042 A 53 ASP N N 15 134.328 0.037 A 54 VAL H H 1 8.796 0.005 A 54 VAL HA H 1 3.877 0.002 A 54 VAL HB H 1 1.595 0.010 A 54 VAL HGx% H 1 1.130 0.005 A 54 VAL HGy% H 1 0.288 0.004 A 54 VAL C C 13 177.243 0.000 A 54 VAL CA C 13 65.092 0.067 A 54 VAL CB C 13 33.012 0.037 A 54 VAL CGy C 13 21.777 0.055 A 54 VAL CGx C 13 19.216 0.050 A 54 VAL N N 15 119.653 0.020 A 55 CYS H H 1 7.604 0.006 A 55 CYS HA H 1 5.112 0.005 A 55 CYS HBx H 1 2.724 0.004 A 55 CYS HBy H 1 3.487 0.003 A 55 CYS C C 13 176.818 0.000 A 55 CYS CA C 13 58.337 0.044 A 55 CYS CB C 13 34.324 0.018 A 55 CYS N N 15 115.992 0.023 A 56 GLY H H 1 8.548 0.003 A 56 GLY HAy H 1 4.283 0.012 A 56 GLY HAx H 1 3.805 0.018 A 56 GLY C C 13 173.824 0.000 A 56 GLY CA C 13 46.409 0.074 A 56 GLY N N 15 114.227 0.027 A 57 LYS H H 1 8.314 0.008 A 57 LYS HA H 1 4.412 0.011 A 57 LYS HBx H 1 1.912 0.003 A 57 LYS HBy H 1 2.029 0.017 A 57 LYS HD2 H 1 1.828 0.002 A 57 LYS HD3 H 1 1.828 0.002 A 57 LYS HE2 H 1 3.103 0.002 A 57 LYS HE3 H 1 3.103 0.002 A 57 LYS HGx H 1 1.581 0.005 A 57 LYS HGy H 1 1.783 0.000 A 57 LYS C C 13 175.055 0.000 A 57 LYS CA C 13 56.717 0.012 A 57 LYS CB C 13 33.143 0.122 A 57 LYS CD C 13 28.869 0.041 A 57 LYS CG C 13 26.421 0.073 A 57 LYS N N 15 122.126 0.022 A 58 GLU H H 1 8.502 0.003 A 58 GLU HA H 1 4.153 0.007 A 58 GLU HBy H 1 2.056 0.002 A 58 GLU HBx H 1 1.927 0.003 A 58 GLU HGx H 1 2.406 0.007 A 58 GLU HGy H 1 2.407 0.007 A 58 GLU C C 13 176.662 0.000 A 58 GLU CA C 13 57.913 0.123 A 58 GLU CB C 13 29.825 0.050 A 58 GLU CG C 13 36.078 0.017 A 58 GLU N N 15 120.782 0.007 A 59 ALA H H 1 7.812 0.006 A 59 ALA HA H 1 3.402 0.009 A 59 ALA HB% H 1 0.734 0.012 A 59 ALA C C 13 175.529 0.000 A 59 ALA CA C 13 52.238 0.030 A 59 ALA CB C 13 19.006 0.066 A 59 ALA N N 15 127.052 0.034 A 60 ALA H H 1 8.356 0.005 A 60 ALA HA H 1 4.473 0.003 A 60 ALA HB% H 1 1.347 0.006 A 60 ALA C C 13 176.087 0.000 A 60 ALA CA C 13 51.930 0.036 A 60 ALA CB C 13 23.146 0.041 A 60 ALA N N 15 122.703 0.032 A 61 SER H H 1 7.427 0.004 A 61 SER HA H 1 4.637 0.002 A 61 SER HBy H 1 3.714 0.009 A 61 SER HBx H 1 3.047 0.029 A 61 SER HG H 1 1.421 0.002 A 61 SER C C 13 171.865 0.000 A 61 SER CA C 13 58.060 0.029 A 61 SER CB C 13 66.719 0.103 A 61 SER N N 15 114.279 0.022 A 62 PHE H H 1 8.193 0.003 A 62 PHE HA H 1 4.342 0.011 A 62 PHE HBy H 1 2.922 0.021 A 62 PHE HBx H 1 2.445 0.014 A 62 PHE HDx H 1 6.378 0.010 A 62 PHE HDy H 1 6.378 0.010 A 62 PHE HEx H 1 6.835 0.019 A 62 PHE HEy H 1 6.835 0.019 A 62 PHE HZ H 1 6.840 0.016 A 62 PHE C C 13 174.547 0.000 A 62 PHE CA C 13 57.701 0.073 A 62 PHE CB C 13 41.207 0.081 A 62 PHE CDx C 13 132.158 0.137 A 62 PHE CDy C 13 132.158 0.137 A 62 PHE CEx C 13 130.913 0.128 A 62 PHE CEy C 13 130.913 0.128 A 62 PHE CZ C 13 129.494 0.107 A 62 PHE N N 15 123.075 0.021 A 63 CYS H H 1 9.106 0.004 A 63 CYS HA H 1 4.297 0.011 A 63 CYS HBy H 1 2.800 0.015 A 63 CYS HBx H 1 2.797 0.015 A 63 CYS C C 13 176.289 0.000 A 63 CYS CA C 13 61.098 0.067 A 63 CYS CB C 13 29.621 0.038 A 63 CYS N N 15 126.326 0.028 A 64 GLU H H 1 8.911 0.006 A 64 GLU HA H 1 4.887 0.016 A 64 GLU HBy H 1 2.122 0.007 A 64 GLU HBx H 1 2.120 0.007 A 64 GLU HGy H 1 2.966 0.009 A 64 GLU HGx H 1 2.555 0.016 A 64 GLU C C 13 177.682 0.000 A 64 GLU CA C 13 58.619 0.024 A 64 GLU CB C 13 30.567 0.048 A 64 GLU CG C 13 38.672 0.073 A 64 GLU N N 15 124.601 0.050 A 65 MET H H 1 9.972 0.004 A 65 MET HA H 1 4.536 0.004 A 65 MET HBy H 1 1.652 0.008 A 65 MET HBx H 1 1.167 0.007 A 65 MET HGy H 1 2.386 0.004 A 65 MET HGx H 1 2.245 0.011 A 65 MET C C 13 173.906 0.000 A 65 MET CA C 13 56.157 0.029 A 65 MET CB C 13 33.770 0.106 A 65 MET CG C 13 33.384 0.074 A 65 MET N N 15 121.669 0.034 A 66 CYS H H 1 8.286 0.014 A 66 CYS HA H 1 3.424 0.011 A 66 CYS HBy H 1 3.097 0.009 A 66 CYS HBx H 1 2.883 0.014 A 66 CYS CA C 13 57.581 0.030 A 66 CYS CB C 13 29.900 0.026 A 66 CYS N N 15 127.827 0.021 A 67 PRO HA H 1 4.660 0.023 A 67 PRO HBy H 1 2.384 0.009 A 67 PRO HBx H 1 2.082 0.002 A 67 PRO HDx H 1 2.911 0.013 A 67 PRO HDy H 1 3.377 0.016 A 67 PRO HGy H 1 2.031 0.004 A 67 PRO HGx H 1 1.864 0.010 A 67 PRO C C 13 176.387 0.000 A 67 PRO CA C 13 64.462 0.119 A 67 PRO CB C 13 31.018 0.063 A 67 PRO CD C 13 49.768 0.063 A 67 PRO CG C 13 27.798 0.039 A 68 SER H H 1 8.864 0.003 A 68 SER HA H 1 5.148 0.009 A 68 SER HBy H 1 4.048 0.011 A 68 SER HBx H 1 3.733 0.003 A 68 SER HG H 1 4.301 0.000 A 68 SER C C 13 173.421 0.000 A 68 SER CA C 13 59.799 0.046 A 68 SER CB C 13 64.047 0.083 A 68 SER N N 15 122.983 0.022 A 69 SER H H 1 7.874 0.006 A 69 SER HA H 1 4.443 0.020 A 69 SER HBy H 1 4.304 0.009 A 69 SER HBx H 1 3.255 0.019 A 69 SER C C 13 171.436 0.000 A 69 SER CA C 13 56.585 0.036 A 69 SER CB C 13 63.959 0.104 A 69 SER N N 15 115.147 0.048 A 70 PHE H H 1 8.192 0.004 A 70 PHE HA H 1 6.052 0.004 A 70 PHE HBy H 1 3.091 0.007 A 70 PHE HBx H 1 2.208 0.008 A 70 PHE HDx H 1 7.435 0.018 A 70 PHE HDy H 1 7.435 0.018 A 70 PHE HEx H 1 7.274 0.000 A 70 PHE HEy H 1 7.274 0.000 A 70 PHE HZ H 1 7.477 0.000 A 70 PHE C C 13 176.905 0.000 A 70 PHE CA C 13 57.026 0.028 A 70 PHE CB C 13 45.774 0.099 A 70 PHE N N 15 112.477 0.033 A 71 CYS H H 1 9.511 0.007 A 71 CYS HA H 1 4.806 0.014 A 71 CYS HBx H 1 2.742 0.009 A 71 CYS HBy H 1 3.522 0.012 A 71 CYS C C 13 174.332 0.000 A 71 CYS CA C 13 58.618 0.024 A 71 CYS CB C 13 30.249 0.048 A 71 CYS N N 15 121.843 0.026 A 72 LYS H H 1 8.804 0.003 A 72 LYS HA H 1 3.679 0.023 A 72 LYS HB2 H 1 1.781 0.005 A 72 LYS HB3 H 1 1.782 0.005 A 72 LYS HD2 H 1 1.665 0.009 A 72 LYS HD3 H 1 1.665 0.009 A 72 LYS HE2 H 1 2.931 0.006 A 72 LYS HE3 H 1 2.931 0.006 A 72 LYS HGy H 1 1.461 0.024 A 72 LYS HGx H 1 1.185 0.014 A 72 LYS C C 13 177.831 0.000 A 72 LYS CA C 13 60.445 0.059 A 72 LYS CB C 13 32.277 0.013 A 72 LYS CD C 13 29.428 0.095 A 72 LYS CE C 13 41.770 0.039 A 72 LYS CG C 13 26.223 0.056 A 72 LYS N N 15 118.091 0.015 A 73 GLN H H 1 8.139 0.001 A 73 GLN HA H 1 4.078 0.006 A 73 GLN HBx H 1 1.454 0.010 A 73 GLN HBy H 1 1.658 0.014 A 73 GLN HE21 H 1 6.857 0.000 A 73 GLN HE22 H 1 7.493 0.001 A 73 GLN HGx H 1 2.059 0.011 A 73 GLN HGy H 1 2.091 0.018 A 73 GLN C C 13 177.491 0.000 A 73 GLN CA C 13 57.894 0.022 A 73 GLN CB C 13 28.754 0.024 A 73 GLN CG C 13 33.808 0.014 A 73 GLN N N 15 118.381 0.033 A 73 GLN NE2 N 15 112.729 0.014 A 74 HIS H H 1 7.628 0.002 A 74 HIS HA H 1 5.015 0.011 A 74 HIS HBx H 1 3.302 0.005 A 74 HIS HBy H 1 3.673 0.008 A 74 HIS HD2 H 1 7.450 0.003 A 74 HIS HE1 H 1 7.870 0.002 A 74 HIS C C 13 174.206 0.000 A 74 HIS CA C 13 57.692 0.038 A 74 HIS CB C 13 32.739 0.027 A 74 HIS CD2 C 13 119.091 0.057 A 74 HIS CE1 C 13 138.671 0.089 A 74 HIS N N 15 117.140 0.030 A 75 ARG H H 1 7.415 0.002 A 75 ARG HA H 1 3.699 0.010 A 75 ARG HBy H 1 1.758 0.014 A 75 ARG HBx H 1 1.754 0.019 A 75 ARG HDy H 1 3.097 0.013 A 75 ARG HDx H 1 2.701 0.013 A 75 ARG HGx H 1 1.512 0.009 A 75 ARG HGy H 1 1.769 0.008 A 75 ARG C C 13 176.493 0.000 A 75 ARG CA C 13 57.925 0.067 A 75 ARG CB C 13 30.179 0.023 A 75 ARG CD C 13 44.367 0.113 A 75 ARG CG C 13 24.882 0.085 A 75 ARG N N 15 115.977 0.019 A 76 GLU H H 1 8.094 0.004 A 76 GLU HA H 1 3.955 0.028 A 76 GLU HBy H 1 1.966 0.010 A 76 GLU HBx H 1 1.893 0.019 A 76 GLU HGy H 1 2.199 0.020 A 76 GLU HGx H 1 2.197 0.021 A 76 GLU C C 13 177.401 0.000 A 76 GLU CA C 13 58.208 0.061 A 76 GLU CB C 13 28.668 0.049 A 76 GLU CG C 13 35.782 0.033 A 76 GLU N N 15 123.649 0.006 A 77 GLY H H 1 8.831 0.005 A 77 GLY HAx H 1 3.701 0.004 A 77 GLY HAy H 1 4.107 0.015 A 77 GLY C C 13 174.193 0.000 A 77 GLY CA C 13 45.502 0.043 A 77 GLY N N 15 114.787 0.006 A 78 MET H H 1 7.320 0.003 A 78 MET HA H 1 4.608 0.007 A 78 MET HBx H 1 0.950 0.016 A 78 MET HBy H 1 1.052 0.012 A 78 MET HGy H 1 1.880 0.008 A 78 MET HGx H 1 1.879 0.007 A 78 MET C C 13 175.808 0.000 A 78 MET CA C 13 53.865 0.067 A 78 MET CB C 13 33.146 0.080 A 78 MET CG C 13 32.663 0.089 A 78 MET N N 15 115.494 0.018 A 79 LEU H H 1 6.783 0.004 A 79 LEU HA H 1 5.083 0.011 A 79 LEU HBy H 1 1.496 0.022 A 79 LEU HBx H 1 1.129 0.012 A 79 LEU HDx% H 1 0.885 0.008 A 79 LEU HDy% H 1 0.809 0.027 A 79 LEU HG H 1 1.443 0.019 A 79 LEU C C 13 175.580 0.000 A 79 LEU CA C 13 52.710 0.031 A 79 LEU CB C 13 46.268 0.077 A 79 LEU CDx C 13 23.877 0.053 A 79 LEU CDy C 13 27.638 0.049 A 79 LEU CG C 13 26.514 0.038 A 79 LEU N N 15 116.112 0.018 A 80 PHE H H 1 9.296 0.008 A 80 PHE HA H 1 4.773 0.006 A 80 PHE HBy H 1 3.083 0.008 A 80 PHE HBx H 1 2.897 0.004 A 80 PHE HDx H 1 7.114 0.008 A 80 PHE HDy H 1 7.114 0.008 A 80 PHE HEx H 1 7.172 0.010 A 80 PHE HEy H 1 7.172 0.010 A 80 PHE HZ H 1 7.205 0.001 A 80 PHE C C 13 174.354 0.000 A 80 PHE CA C 13 56.225 0.030 A 80 PHE CB C 13 42.377 0.055 A 80 PHE CDx C 13 132.434 0.093 A 80 PHE CDy C 13 132.434 0.093 A 80 PHE CEx C 13 130.916 0.092 A 80 PHE CEy C 13 130.916 0.092 A 80 PHE N N 15 121.484 0.025 A 81 ILE H H 1 8.798 0.001 A 81 ILE HA H 1 4.088 0.004 A 81 ILE HB H 1 1.851 0.003 A 81 ILE HD1% H 1 0.843 0.007 A 81 ILE HG1y H 1 1.569 0.002 A 81 ILE HG1x H 1 1.183 0.010 A 81 ILE HG2% H 1 0.835 0.004 A 81 ILE C C 13 176.829 0.000 A 81 ILE CA C 13 60.636 0.034 A 81 ILE CB C 13 37.486 0.027 A 81 ILE CD1 C 13 12.196 0.059 A 81 ILE CG1 C 13 27.516 0.020 A 81 ILE CG2 C 13 17.208 0.030 A 81 ILE N N 15 123.854 0.009 A 82 SER H H 1 8.898 0.016 A 82 SER HA H 1 4.530 0.008 A 82 SER HBy H 1 4.194 0.014 A 82 SER HBx H 1 4.190 0.011 A 82 SER C C 13 177.460 0.000 A 82 SER CA C 13 58.180 0.058 A 82 SER CB C 13 64.054 0.088 A 82 SER N N 15 124.730 0.025 A 83 LYS H H 1 9.269 0.001 A 83 LYS HA H 1 4.198 0.020 A 83 LYS HBx H 1 1.885 0.014 A 83 LYS HBy H 1 1.932 0.026 A 83 LYS HD2 H 1 1.738 0.002 A 83 LYS HD3 H 1 1.738 0.002 A 83 LYS HE2 H 1 3.048 0.005 A 83 LYS HE3 H 1 3.048 0.005 A 83 LYS HGx H 1 1.579 0.008 A 83 LYS HGy H 1 1.581 0.008 A 83 LYS C C 13 177.173 0.000 A 83 LYS CA C 13 57.848 0.042 A 83 LYS CB C 13 32.376 0.072 A 83 LYS CD C 13 28.887 0.036 A 83 LYS CE C 13 41.922 0.088 A 83 LYS CG C 13 25.160 0.028 A 83 LYS N N 15 129.518 0.021 A 84 LEU H H 1 8.364 0.002 A 84 LEU HA H 1 4.284 0.018 A 84 LEU HBx H 1 1.591 0.016 A 84 LEU HBy H 1 1.649 0.001 A 84 LEU HDx% H 1 0.927 0.018 A 84 LEU HDy% H 1 0.898 0.015 A 84 LEU HG H 1 1.587 0.014 A 84 LEU C C 13 178.443 0.000 A 84 LEU CA C 13 56.827 0.072 A 84 LEU CB C 13 41.901 0.020 A 84 LEU CDy C 13 24.321 0.000 A 84 LEU CDx C 13 23.895 0.000 A 84 LEU CG C 13 27.336 0.046 A 84 LEU N N 15 120.539 0.033 A 85 ASP H H 1 7.326 0.004 A 85 ASP HA H 1 4.737 0.021 A 85 ASP HBy H 1 3.039 0.004 A 85 ASP HBx H 1 2.493 0.015 A 85 ASP C C 13 177.413 0.000 A 85 ASP CA C 13 53.056 0.014 A 85 ASP CB C 13 42.065 0.026 A 85 ASP N N 15 114.333 0.030 A 86 GLY H H 1 7.901 0.003 A 86 GLY HAx H 1 3.854 0.003 A 86 GLY HAy H 1 4.120 0.018 A 86 GLY C C 13 174.036 0.000 A 86 GLY CA C 13 46.037 0.041 A 86 GLY N N 15 108.607 0.010 A 87 ARG H H 1 7.948 0.002 A 87 ARG HA H 1 4.345 0.002 A 87 ARG HBx H 1 1.567 0.026 A 87 ARG HBy H 1 1.999 0.004 A 87 ARG HDx H 1 3.077 0.005 A 87 ARG HDy H 1 3.225 0.008 A 87 ARG HGy H 1 1.625 0.011 A 87 ARG HGx H 1 1.619 0.010 A 87 ARG C C 13 175.968 0.000 A 87 ARG CA C 13 56.810 0.036 A 87 ARG CB C 13 31.934 0.063 A 87 ARG CD C 13 44.143 0.067 A 87 ARG CG C 13 27.306 0.155 A 87 ARG N N 15 120.598 0.024 A 88 LEU H H 1 8.968 0.004 A 88 LEU HA H 1 4.576 0.011 A 88 LEU HBy H 1 1.996 0.008 A 88 LEU HBx H 1 1.705 0.021 A 88 LEU HDx% H 1 0.932 0.014 A 88 LEU HDy% H 1 0.841 0.018 A 88 LEU HG H 1 1.604 0.029 A 88 LEU C C 13 176.060 0.000 A 88 LEU CA C 13 55.558 0.037 A 88 LEU CB C 13 42.815 0.076 A 88 LEU CDy C 13 25.627 0.101 A 88 LEU CDx C 13 24.228 0.005 A 88 LEU CG C 13 27.290 0.080 A 88 LEU N N 15 126.752 0.015 A 89 SER H H 1 9.083 0.002 A 89 SER HA H 1 6.146 0.004 A 89 SER HBx H 1 3.608 0.026 A 89 SER HBy H 1 3.698 0.022 A 89 SER C C 13 174.338 0.000 A 89 SER CA C 13 56.311 0.071 A 89 SER CB C 13 67.072 0.035 A 89 SER N N 15 118.859 0.021 A 90 CYS H H 1 10.389 0.008 A 90 CYS HA H 1 5.815 0.011 A 90 CYS HBy H 1 3.959 0.009 A 90 CYS HBx H 1 3.028 0.005 A 90 CYS C C 13 176.386 0.000 A 90 CYS CA C 13 58.908 0.028 A 90 CYS CB C 13 29.444 0.016 A 90 CYS N N 15 128.907 0.033 A 91 THR H H 1 8.435 0.002 A 91 THR HA H 1 4.398 0.010 A 91 THR HB H 1 4.613 0.007 A 91 THR HG2% H 1 1.403 0.010 A 91 THR C C 13 175.912 0.000 A 91 THR CA C 13 63.576 0.016 A 91 THR CB C 13 69.172 0.025 A 91 THR CG2 C 13 21.583 0.090 A 91 THR N N 15 108.692 0.028 A 92 GLU H H 1 8.626 0.002 A 92 GLU HA H 1 4.280 0.017 A 92 GLU HBx H 1 1.392 0.010 A 92 GLU HBy H 1 1.905 0.005 A 92 GLU HGx H 1 2.231 0.021 A 92 GLU HGy H 1 2.268 0.022 A 92 GLU C C 13 175.937 0.000 A 92 GLU CA C 13 56.582 0.050 A 92 GLU CB C 13 28.887 0.012 A 92 GLU CG C 13 36.303 0.039 A 92 GLU N N 15 123.418 0.033 A 93 HIS H H 1 7.244 0.006 A 93 HIS HA H 1 4.789 0.005 A 93 HIS HBy H 1 3.405 0.011 A 93 HIS HBx H 1 3.117 0.011 A 93 HIS HD2 H 1 7.379 0.007 A 93 HIS HE1 H 1 7.684 0.002 A 93 HIS C C 13 174.016 0.000 A 93 HIS CA C 13 54.275 0.023 A 93 HIS CB C 13 29.373 0.048 A 93 HIS CD2 C 13 130.513 0.086 A 93 HIS CE1 C 13 138.815 0.097 A 93 HIS N N 15 117.178 0.019 A 94 ASP H H 1 7.975 0.002 A 94 ASP HA H 1 4.438 0.001 A 94 ASP HBy H 1 2.668 0.010 A 94 ASP HBx H 1 2.611 0.013 A 94 ASP CA C 13 56.204 0.022 A 94 ASP CB C 13 42.248 0.007 A 94 ASP N N 15 127.477 0.013 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 50 HIS HE1 A 26 CYS HBy 1.0 1.938 4.646 2 2 A 93 HIS HBy A 93 HIS HA 1.0 1.793 3.633 3 3 A 93 HIS HA A 93 HIS HBx 1.0 1.944 4.722 4 4 A 92 GLU HA A 92 GLU HBx 1.0 1.672 3.088 5 5 A 92 GLU HBx A 92 GLU HBy 1.0 1.416 2.260 6 6 A 92 GLU HBx A 92 GLU HGy 1.0 1.789 3.613 7 7 A 92 GLU HBx A 92 GLU HGx 1.0 1.732 3.342 8 8 A 4 GLU HBx A 4 GLU HA 1.0 1.694 3.178 9 9 A 91 THR HA A 91 THR HB 1.0 1.655 3.023 10 10 A 91 THR HB A 91 THR HG2% 1.0 1.450 2.356 11 11 A 91 THR HA A 91 THR HG2% 1.0 1.594 2.802 12 12 A 90 CYS HBx A 90 CYS HBy 1.0 1.537 2.615 13 13 A 90 CYS HBy A 90 CYS HA 1.0 1.766 3.494 14 14 A 90 CYS HBx A 90 CYS HA 1.0 1.772 3.526 15 15 A 89 SER HBx A 89 SER HA 1.0 1.841 3.903 16 16 A 89 SER HA A 89 SER HBy 1.0 1.699 3.199 17 17 A 61 SER HBx A 61 SER HBy 1.0 1.281 1.923 18 18 A 88 LEU HBx A 88 LEU HDx% 1.0 1.504 2.512 19 19 A 88 LEU HBx A 88 LEU HA 1.0 1.840 3.900 20 20 A 88 LEU HBx A 88 LEU HBy 1.0 1.321 2.017 21 21 A 57 LYS HGy A 57 LYS HA 1.0 1.678 3.112 22 22 A 88 LEU HDx% A 88 LEU HBy 1.0 1.700 3.200 23 23 A 88 LEU HBy A 88 LEU HDy% 1.0 1.496 2.488 24 24 A 88 LEU HA A 88 LEU HDy% 1.0 1.732 3.340 25 25 A 62 PHE HA A 69 SER HBy 1.0 1.748 3.412 26 26 A 86 GLY HAy A 81 ILE HG2% 1.0 1.622 2.900 27 27 A 81 ILE HG2% A 86 GLY HAx 1.0 1.937 4.643 28 28 A 85 ASP HA A 85 ASP HBy 1.0 1.714 3.262 29 29 A 80 PHE HBy A 80 PHE HA 1.0 1.794 3.638 30 30 A 79 LEU HBx A 79 LEU HBy 1.0 1.521 2.563 31 31 A 79 LEU HBy A 79 LEU HDy% 1.0 1.647 2.991 32 32 A 79 LEU HBx A 79 LEU HDy% 1.0 1.599 2.821 33 33 A 61 SER HBy A 79 LEU HDy% 1.0 1.906 4.360 34 34 A 61 SER HBx A 79 LEU HDy% 1.0 1.467 2.403 35 35 A 79 LEU HA A 79 LEU HDx% 1.0 1.578 2.746 36 36 A 79 LEU HDx% A 63 CYS HA 1.0 1.504 2.510 37 37 A 90 CYS HBy A 79 LEU HDx% 1.0 1.686 3.146 38 38 A 79 LEU HDx% A 63 CYS HBx 1.0 1.722 3.298 39 39 A 78 MET HA A 78 MET HBx 1.0 1.762 3.474 40 40 A 77 GLY HAy A 77 GLY HAx 1.0 1.491 2.473 41 41 A 76 GLU HBy A 76 GLU HA 1.0 1.739 3.375 42 42 A 76 GLU HA A 76 GLU HBx 1.0 1.823 3.797 43 43 A 74 HIS HBy A 74 HIS HBx 1.0 1.589 2.785 44 44 A 74 HIS HBx A 74 HIS HA 1.0 1.757 3.455 45 45 A 74 HIS HBy A 74 HIS HA 1.0 1.918 4.466 46 46 A 73 GLN HA A 73 GLN HGy 1.0 1.756 3.448 47 47 A 73 GLN HA A 73 GLN HBy 1.0 1.716 3.270 48 48 A 73 GLN HA A 73 GLN HBx 1.0 1.706 3.228 49 49 A 71 CYS HBy A 71 CYS HBx 1.0 1.501 2.505 50 50 A 71 CYS HBy A 71 CYS HA 1.0 1.739 3.371 51 51 A 71 CYS HBx A 71 CYS HA 1.0 1.716 3.270 52 52 A 70 PHE HBy A 70 PHE HBx 1.0 1.582 2.760 53 53 A 70 PHE HBx A 70 PHE HA 1.0 1.890 4.234 54 54 A 69 SER HBy A 69 SER HBx 1.0 1.540 2.626 55 55 A 69 SER HBy A 59 ALA HB% 1.0 1.949 4.779 56 56 A 68 SER HA A 68 SER HBy 1.0 1.749 3.413 57 57 A 68 SER HA A 68 SER HBx 1.0 1.866 4.066 58 58 A 65 MET HA A 65 MET HGx 1.0 1.766 3.502 59 59 A 65 MET HA A 65 MET HBy 1.0 1.711 3.251 60 60 A 65 MET HA A 65 MET HBx 1.0 1.910 4.386 61 61 A 65 MET HBy A 65 MET HGy 1.0 1.906 4.364 62 62 A 65 MET HGx A 65 MET HBx 1.0 1.934 4.616 63 63 A 65 MET HBx A 65 MET HGy 1.0 1.767 3.507 64 64 A 65 MET HBy A 65 MET HBx 1.0 1.577 2.747 65 65 A 64 GLU HA A 64 GLU HGy 1.0 1.879 4.151 66 66 A 64 GLU HGy A 64 GLU HGx 1.0 1.380 2.166 67 67 A 62 PHE HBy A 62 PHE HBx 1.0 1.575 2.735 68 68 A 61 SER HBx A 61 SER HA 1.0 1.704 3.220 69 69 A 61 SER HBy A 61 SER HA 1.0 1.754 3.440 70 70 A 60 ALA HA A 60 ALA HB% 1.0 1.467 2.405 71 71 A 59 ALA HB% A 59 ALA HA 1.0 1.444 2.338 72 72 A 9 CYS HA A 29 VAL HGx% 1.0 1.710 3.244 73 73 A 16 GLY HAx A 16 GLY HAy 1.0 1.455 2.369 74 74 A 55 CYS HA A 55 CYS HBx 1.0 1.690 3.164 75 75 A 55 CYS HA A 55 CYS HBy 1.0 1.687 3.145 76 76 A 54 VAL HA A 54 VAL HB 1.0 1.839 3.891 77 77 A 54 VAL HB A 54 VAL HGx% 1.0 1.432 2.304 78 78 A 54 VAL HA A 54 VAL HGx% 1.0 1.607 2.845 79 79 A 55 CYS HBx A 54 VAL HGx% 1.0 1.888 4.214 80 80 A 54 VAL HB A 54 VAL HGy% 1.0 1.443 2.335 81 81 A 54 VAL HGx% A 54 VAL HGy% 1.0 1.304 1.976 82 82 A 54 VAL HA A 54 VAL HGy% 1.0 1.604 2.836 83 83 A 74 HIS HBx A 54 VAL HGy% 1.0 1.630 2.930 84 84 A 74 HIS HBy A 54 VAL HGy% 1.0 1.922 4.500 85 85 A 53 ASP HBx A 53 ASP HA 1.0 1.954 4.836 86 86 A 53 ASP HA A 53 ASP HBy 1.0 1.760 3.468 87 87 A 52 CYS HA A 52 CYS HBx 1.0 1.734 3.350 88 88 A 52 CYS HA A 52 CYS HBy 1.0 1.890 4.230 89 89 A 50 HIS HBx A 50 HIS HBy 1.0 1.603 2.835 90 90 A 50 HIS HBy A 50 HIS HA 1.0 1.753 3.435 91 91 A 50 HIS HBx A 50 HIS HA 1.0 1.929 4.563 92 92 A 50 HIS HA A 62 PHE HEy 1.0 1.907 4.363 93 92 A 50 HIS HA A 62 PHE HEx 1.0 1.907 4.363 94 93 A 49 TRP HA A 49 TRP HBy 1.0 1.846 3.936 95 94 A 49 TRP HA A 49 TRP HBx 1.0 1.917 4.457 96 95 A 49 TRP HBy A 49 TRP HBx 1.0 1.611 2.861 97 96 A 45 TRP HBy A 45 TRP HA 1.0 1.776 3.544 98 97 A 42 ALA HA A 42 ALA HB% 1.0 1.488 2.464 99 98 A 70 PHE HBy A 75 ARG HA 1.0 1.886 4.202 100 99 A 70 PHE HBx A 75 ARG HA 1.0 1.733 3.345 101 100 A 75 ARG HBy A 75 ARG HDy 1.0 1.744 3.390 102 101 A 75 ARG HDy A 75 ARG HBx 1.0 1.913 4.421 103 102 A 38 THR HA A 38 THR HG2% 1.0 1.652 3.010 104 103 A 38 THR HG2% A 38 THR HB 1.0 1.495 2.485 105 104 A 36 ASN HA A 36 ASN HBy 1.0 1.778 3.556 106 105 A 36 ASN HA A 36 ASN HBx 1.0 1.741 3.381 107 106 A 33 ASP HBx A 33 ASP HA 1.0 1.797 3.655 108 107 A 33 ASP HA A 33 ASP HBy 1.0 1.756 3.450 109 108 A 32 ALA HA A 32 ALA HB% 1.0 1.453 2.363 110 109 A 31 HIS HBy A 31 HIS HA 1.0 1.805 3.699 111 110 A 31 HIS HBy A 31 HIS HBx 1.0 1.568 2.716 112 111 A 30 TYR HA A 30 TYR HBy 1.0 1.893 4.259 113 112 A 30 TYR HA A 30 TYR HBx 1.0 1.790 3.618 114 113 A 30 TYR HBy A 30 TYR HBx 1.0 1.549 2.651 115 114 A 26 CYS HBy A 26 CYS HA 1.0 1.824 3.806 116 115 A 26 CYS HBy A 26 CYS HBx 1.0 1.548 2.648 117 116 A 25 GLY HAy A 25 GLY HAx 1.0 1.523 2.569 118 117 A 27 PRO HDy A 27 PRO HDx 1.0 1.508 2.524 119 118 A 27 PRO HDy A 27 PRO HBy 1.0 1.954 4.838 120 119 A 27 PRO HDy A 27 PRO HBx 1.0 1.962 4.932 121 120 A 81 ILE HG2% A 81 ILE HA 1.0 1.505 2.515 122 121 A 81 ILE HG2% A 81 ILE HB 1.0 1.423 2.281 123 122 A 81 ILE HG2% A 81 ILE HG1x 1.0 1.791 3.625 124 123 A 81 ILE HG2% A 81 ILE HG1y 1.0 1.607 2.845 125 124 A 81 ILE HB A 81 ILE HD1% 1.0 1.812 3.730 126 125 A 81 ILE HG1x A 81 ILE HD1% 1.0 1.463 2.389 127 126 A 81 ILE HG1y A 81 ILE HD1% 1.0 1.469 2.409 128 127 A 81 ILE HA A 81 ILE HD1% 1.0 1.587 2.777 129 128 A 88 LEU HA A 81 ILE HG2% 1.0 1.971 5.067 130 129 A 20 SER HA A 20 SER HBx 1.0 1.838 3.888 131 130 A 20 SER HA A 20 SER HBy 1.0 1.654 3.016 132 131 A 20 SER HBx A 29 VAL HGy% 1.0 1.954 4.836 133 132 A 19 VAL HB A 19 VAL HGy% 1.0 1.506 2.516 134 133 A 19 VAL HGy% A 19 VAL HA 1.0 1.680 3.118 135 134 A 19 VAL HB A 19 VAL HA 1.0 1.679 3.117 136 135 A 18 LEU HG A 18 LEU HDy% 1.0 1.411 2.249 137 136 A 18 LEU HDy% A 18 LEU HD11 1.0 1.439 2.323 138 137 A 18 LEU HDy% A 18 LEU HBx 1.0 1.577 2.743 139 138 A 18 LEU HDy% A 18 LEU HBy 1.0 1.834 3.860 140 139 A 18 LEU HDy% A 9 CYS HBx 1.0 1.498 2.494 141 140 A 18 LEU HDy% A 18 LEU HA 1.0 1.534 2.602 142 141 A 9 CYS HA A 18 LEU HDy% 1.0 1.723 3.297 143 142 A 30 TYR HA A 18 LEU HDy% 1.0 1.826 3.814 144 143 A 18 LEU HD11 A 18 LEU HA 1.0 1.988 5.388 145 144 A 18 LEU HG A 18 LEU HD11 1.0 1.472 2.418 146 145 A 18 LEU HG A 18 LEU HBx 1.0 1.729 3.327 147 146 A 18 LEU HG A 18 LEU HA 1.0 1.689 3.153 148 147 A 18 LEU HG A 7 ASP HA 1.0 1.888 6.000 149 148 A 18 LEU HG A 8 GLU HA 1.0 1.828 6.000 150 149 A 18 LEU HBx A 18 LEU HA 1.0 1.830 3.836 151 150 A 18 LEU HBy A 18 LEU HA 1.0 1.929 4.563 152 151 A 18 LEU HD11 A 18 LEU HBx 1.0 1.808 3.716 153 152 A 18 LEU HD11 A 18 LEU HBy 1.0 1.716 3.272 154 153 A 18 LEU HG A 18 LEU HBy 1.0 1.704 3.222 155 154 A 24 PRO HGy A 24 PRO HA 1.0 1.871 4.099 156 155 A 17 GLN HA A 17 GLN HGx 1.0 1.830 3.840 157 156 A 17 GLN HA A 17 GLN HGy 1.0 1.698 3.194 158 157 A 15 ALA HA A 15 ALA HB% 1.0 1.402 2.222 159 158 A 14 ASP HBx A 14 ASP HA 1.0 1.870 4.090 160 159 A 14 ASP HA A 14 ASP HBy 1.0 1.765 3.495 161 160 A 56 GLY HAx A 56 GLY HAy 1.0 1.455 2.367 162 161 A 12 CYS HA A 12 CYS HBy 1.0 1.813 3.741 163 162 A 12 CYS HA A 12 CYS HBx 1.0 1.752 3.434 164 163 A 12 CYS HBy A 12 CYS HBx 1.0 1.529 2.587 165 164 A 11 SER HA A 11 SER HBx 1.0 1.702 3.208 166 165 A 11 SER HA A 11 SER HBy 1.0 1.820 3.778 167 166 A 10 PHE HBx A 10 PHE HA 1.0 1.983 5.267 168 167 A 10 PHE HBx A 10 PHE HBy 1.0 1.689 3.157 169 168 A 9 CYS HA A 9 CYS HBy 1.0 1.862 4.040 170 169 A 8 GLU HA A 8 GLU HBy 1.0 1.808 3.716 171 170 A 8 GLU HA A 8 GLU HBx 1.0 1.664 3.058 172 171 A 4 GLU HA A 4 GLU HBy 1.0 1.784 3.584 173 172 A 3 MET HGx A 3 MET HA 1.0 1.979 5.199 174 173 A 3 MET HA A 3 MET HGy 1.0 1.878 4.144 175 174 A 2 ALA HA A 2 ALA HB% 1.0 1.519 2.557 176 175 A 84 LEU HBx A 84 LEU HA 1.0 1.659 3.039 177 176 A 84 LEU HA A 84 LEU HBy 1.0 1.749 3.419 178 177 A 84 LEU HA A 84 LEU HDy% 1.0 1.608 2.848 179 178 A 81 ILE HB A 81 ILE HG1x 1.0 1.721 3.287 180 179 A 81 ILE HB A 81 ILE HG1y 1.0 1.758 3.458 181 180 A 81 ILE HA A 81 ILE HB 1.0 1.810 3.720 182 181 A 81 ILE HA A 81 ILE HG1x 1.0 1.773 3.529 183 182 A 81 ILE HA A 81 ILE HG1y 1.0 1.919 4.465 184 183 A 28 LYS HA A 28 LYS HBx 1.0 1.898 4.294 185 184 A 28 LYS HA A 28 LYS HBy 1.0 1.892 4.252 186 185 A 28 LYS HBx A 28 LYS HBy 1.0 1.651 3.009 187 186 A 75 ARG HGy A 75 ARG HDx 1.0 1.811 3.727 188 187 A 87 ARG HDx A 87 ARG HA 1.0 1.998 5.744 189 188 A 87 ARG HDx A 87 ARG HBy 1.0 1.919 4.471 190 189 A 83 LYS HA A 83 LYS HBx 1.0 1.543 2.633 191 190 A 75 ARG HA A 75 ARG HDy 1.0 1.971 6.993 192 191 A 75 ARG HDx A 72 LYS HA 1.0 1.962 4.936 193 192 A 75 ARG HDy A 72 LYS HA 1.0 1.659 3.035 194 193 A 75 ARG HDy A 75 ARG HGx 1.0 1.915 4.429 195 194 A 72 LYS HA A 72 LYS HGy 1.0 1.844 3.926 196 195 A 72 LYS HA A 72 LYS HGx 1.0 1.683 3.135 197 196 A 29 VAL HA A 29 VAL HB 1.0 1.712 3.254 198 197 A 29 VAL HGx% A 29 VAL HGy% 1.0 1.349 2.087 199 198 A 29 VAL HGx% A 29 VAL HB 1.0 1.533 2.601 200 199 A 29 VAL HGx% A 18 LEU HBy 1.0 1.899 4.307 201 200 A 29 VAL HGx% A 18 LEU HBx 1.0 1.685 3.139 202 201 A 29 VAL HGy% A 29 VAL HB 1.0 1.404 2.228 203 202 A 29 VAL HGx% A 29 VAL HA 1.0 1.879 4.149 204 203 A 29 VAL HGx% A 7 ASP HA 1.0 1.845 3.933 205 204 A 29 VAL HGy% A 29 VAL HA 1.0 1.589 2.783 206 205 A 20 SER HA A 29 VAL HGy% 1.0 1.542 2.628 207 206 A 20 SER HBy A 29 VAL HGy% 1.0 1.550 2.656 208 207 A 39 LYS HA A 39 LYS HBy 1.0 1.596 2.806 209 208 A 39 LYS HA A 39 LYS HBx 1.0 1.775 3.539 210 209 A 21 CYS HA A 21 CYS HBy 1.0 1.776 3.548 211 210 A 21 CYS HA A 21 CYS HBx 1.0 1.909 4.385 212 211 A 37 LEU HA A 37 LEU HB2 1.0 1.727 3.317 213 212 A 32 ALA HB% A 37 LEU HDx% 1.0 1.601 2.827 214 213 A 37 LEU HDx% A 41 PRO HDy 1.0 1.892 4.248 215 214 A 32 ALA HA A 37 LEU HDx% 1.0 1.762 3.476 216 215 A 37 LEU HA A 37 LEU HDy% 1.0 1.486 2.458 217 216 A 48 PRO HGy A 35 LEU HDx% 1.0 1.924 6.000 218 217 A 30 TYR HBy A 35 LEU HDx% 1.0 1.790 3.620 219 218 A 32 ALA HA A 35 LEU HDx% 1.0 1.772 3.528 220 219 A 35 LEU HBy A 35 LEU HDy% 1.0 1.513 2.541 221 220 A 48 PRO HGy A 35 LEU HDy% 1.0 1.750 3.422 222 221 A 35 LEU HDy% A 35 LEU HA 1.0 1.660 3.040 223 222 A 34 CYS HBy A 34 CYS HA 1.0 1.874 4.116 224 223 A 34 CYS HA A 34 CYS HBx 1.0 1.906 4.356 225 224 A 67 PRO HA A 67 PRO HBx 1.0 1.969 5.031 226 225 A 67 PRO HA A 67 PRO HBy 1.0 1.807 3.705 227 226 A 49 TRP HBx A 67 PRO HA 1.0 1.972 6.000 228 227 A 48 PRO HA A 48 PRO HBy 1.0 1.876 4.130 229 228 A 48 PRO HBx A 48 PRO HDy 1.0 2.000 5.906 230 229 A 67 PRO HA A 67 PRO HGy 1.0 1.914 4.430 231 230 A 67 PRO HGy A 67 PRO HDy 1.0 1.944 4.712 232 231 A 41 PRO HA A 41 PRO HBy 1.0 1.729 3.327 233 232 A 41 PRO HA A 41 PRO HGy 1.0 1.999 5.775 234 233 A 41 PRO HBy A 41 PRO HDx 1.0 1.972 5.078 235 234 A 41 PRO HDy A 41 PRO HBy 1.0 1.985 5.329 236 235 A 41 PRO HDy A 41 PRO HBx 1.0 1.986 5.340 237 236 A 41 PRO HDy A 41 PRO HGx 1.0 1.869 4.083 238 237 A 41 PRO HDy A 41 PRO HGy 1.0 1.814 3.746 239 238 A 41 PRO HGy A 41 PRO HDx 1.0 1.981 5.241 240 239 A 41 PRO HDx A 41 PRO HGx 1.0 1.814 3.746 241 240 A 67 PRO HGx A 67 PRO HDx 1.0 1.918 4.454 242 241 A 67 PRO HA A 67 PRO HGx 1.0 1.991 6.541 243 242 A 67 PRO HDy A 67 PRO HDx 1.0 1.536 2.610 244 243 A 67 PRO HGy A 67 PRO HDx 1.0 1.812 3.736 245 244 A 67 PRO HDy A 67 PRO HGx 1.0 1.857 4.001 246 245 A 48 PRO HA A 48 PRO HBx 1.0 1.698 3.190 247 246 A 27 PRO HDy A 27 PRO HGy 1.0 1.936 4.642 248 247 A 27 PRO HGy A 27 PRO HGx 1.0 1.569 2.717 249 248 A 27 PRO HBy A 27 PRO HA 1.0 1.930 4.574 250 249 A 27 PRO HBx A 27 PRO HA 1.0 1.850 3.962 251 250 A 24 PRO HA A 24 PRO HBy 1.0 1.837 3.877 252 251 A 24 PRO HA A 24 PRO HBx 1.0 1.698 3.192 253 252 A 27 PRO HGx A 27 PRO HA 1.0 1.999 6.233 254 253 A 27 PRO HBx A 27 PRO HGy 1.0 1.825 3.809 255 254 A 48 PRO HBy A 48 PRO HBx 1.0 1.461 2.385 256 255 A 94 ASP HBy A 94 ASP HA 1.0 1.714 3.258 257 256 A 91 THR HA A 80 PHE HEy 1.0 1.993 5.521 258 256 A 91 THR HA A 80 PHE HEx 1.0 1.993 5.521 259 257 A 91 THR HG2% A 90 CYS HBy 1.0 1.964 7.110 260 258 A 45 TRP HA A 45 TRP HD1 1.0 1.918 4.462 261 259 A 49 TRP HH2 A 49 TRP HZ3 1.0 1.845 3.927 262 260 A 79 LEU HA A 80 PHE HDy 1.0 2.000 6.058 263 260 A 79 LEU HA A 80 PHE HDx 1.0 2.000 6.058 264 261 A 30 TYR HBy A 30 TYR HDy 1.0 1.970 5.058 265 261 A 30 TYR HBy A 30 TYR HDx 1.0 1.970 5.058 266 262 A 30 TYR HBx A 30 TYR HDy 1.0 1.982 5.264 267 262 A 30 TYR HBx A 30 TYR HDx 1.0 1.982 5.264 268 263 A 9 CYS HBx A 31 HIS HD2 1.0 1.958 4.872 269 264 A 50 HIS HA A 50 HIS HD2 1.0 1.975 6.919 270 265 A 50 HIS HBx A 51 GLN HGx 1.0 1.898 4.298 271 266 A 89 SER HBx A 93 HIS HD2 1.0 1.974 6.942 272 267 A 13 GLY HAx A 8 GLU HGy 1.0 1.905 4.347 273 268 A 56 GLY HAy A 51 GLN HBx 1.0 1.998 5.742 274 269 A 56 GLY HAx A 51 GLN HBx 1.0 1.922 4.502 275 270 A 66 CYS HA A 66 CYS HBy 1.0 1.858 4.012 276 271 A 80 PHE HA A 80 PHE HBx 1.0 1.751 3.425 277 272 A 14 ASP HBx A 31 HIS HE1 1.0 1.708 3.234 278 273 A 14 ASP HBy A 31 HIS HE1 1.0 1.942 4.694 279 274 A 66 CYS HBy A 93 HIS HE1 1.0 1.852 3.970 280 275 A 64 GLU HGx A 49 TRP HZ2 1.0 1.974 5.114 281 276 A 27 PRO HDx A 27 PRO HBx 1.0 1.839 3.891 282 277 A 89 SER HA A 88 LEU HBy 1.0 1.910 4.400 283 278 A 89 SER HBy A 82 SER HBx 1.0 1.890 4.230 284 279 A 88 LEU HA A 88 LEU HBy 1.0 1.730 3.332 285 280 A 88 LEU HBy A 64 GLU HGx 1.0 1.709 9.339 286 281 A 88 LEU HA A 88 LEU HG 1.0 1.762 3.478 287 282 A 64 GLU HGy A 88 LEU HG 1.0 1.970 5.058 288 283 A 61 SER HBx A 88 LEU HDy% 1.0 1.714 6.000 289 284 A 87 ARG HA A 87 ARG HBx 1.0 1.799 3.669 290 285 A 9 CYS HBy A 31 HIS HE1 1.0 1.845 3.929 291 286 A 64 GLU HGy A 87 ARG HDx 1.0 1.999 6.207 292 287 A 31 HIS HA A 18 LEU HA 1.0 1.844 3.924 293 288 A 41 PRO HDx A 40 ARG HGy 1.0 1.983 6.767 294 289 A 88 LEU HA A 81 ILE HA 1.0 1.643 2.979 295 290 A 86 GLY HAx A 81 ILE HD1% 1.0 1.984 5.310 296 291 A 80 PHE HDy A 82 SER HA 1.0 1.992 5.518 297 291 A 80 PHE HDx A 82 SER HA 1.0 1.992 5.518 298 292 A 90 CYS HA A 79 LEU HA 1.0 1.728 3.322 299 293 A 79 LEU HBy A 79 LEU HA 1.0 1.884 4.192 300 294 A 79 LEU HBx A 79 LEU HA 1.0 1.862 4.032 301 295 A 75 ARG HDy A 75 ARG HGy 1.0 1.765 3.491 302 296 A 90 CYS HA A 79 LEU HDx% 1.0 1.618 2.884 303 297 A 79 LEU HDy% A 79 LEU HA 1.0 1.995 5.585 304 298 A 79 LEU HDy% A 63 CYS HA 1.0 1.818 3.768 305 299 A 88 LEU HBy A 79 LEU HDy% 1.0 1.765 3.491 306 300 A 79 LEU HDy% A 75 ARG HBx 1.0 1.990 5.428 307 301 A 89 SER HA A 79 LEU HDx% 1.0 1.870 4.092 308 302 A 79 LEU HDx% A 70 PHE HDx 1.0 1.991 5.467 309 302 A 79 LEU HDx% A 70 PHE HDy 1.0 1.991 5.467 310 303 A 78 MET HA A 77 GLY HAy 1.0 1.975 5.133 311 304 A 91 THR HG2% A 78 MET HA 1.0 1.830 3.842 312 305 A 78 MET HA A 78 MET HBy 1.0 1.989 5.407 313 306 A 77 GLY HAx A 76 GLU HBy 1.0 1.956 4.862 314 307 A 76 GLU HA A 75 ARG HGx 1.0 1.885 4.195 315 308 A 75 ARG HA A 78 MET HBy 1.0 1.835 3.867 316 309 A 75 ARG HA A 75 ARG HGx 1.0 1.962 4.932 317 310 A 75 ARG HA A 75 ARG HGy 1.0 1.939 4.663 318 311 A 76 GLU HA A 75 ARG HGy 1.0 2.000 5.980 319 312 A 75 ARG HDy A 75 ARG HDx 1.0 1.302 1.972 320 313 A 60 ALA HB% A 75 ARG HDx 1.0 1.982 5.262 321 314 A 26 CYS HA A 26 CYS HBx 1.0 1.908 4.376 322 315 A 74 HIS HA A 73 GLN HA 1.0 1.967 5.001 323 316 A 52 CYS HBx A 52 CYS HBy 1.0 1.436 2.314 324 317 A 21 CYS HBy A 21 CYS HBx 1.0 1.572 2.728 325 318 A 70 PHE HBy A 70 PHE HA 1.0 1.822 3.792 326 319 A 70 PHE HA A 52 CYS HA 1.0 1.693 3.175 327 320 A 70 PHE HBy A 75 ARG HBy 1.0 1.968 5.020 328 321 A 79 LEU HDy% A 70 PHE HBy 1.0 1.952 7.282 329 322 A 69 SER HA A 62 PHE HDy 1.0 1.950 7.310 330 322 A 69 SER HA A 62 PHE HDx 1.0 1.950 7.310 331 323 A 69 SER HBy A 69 SER HA 1.0 1.748 3.414 332 324 A 69 SER HBx A 62 PHE HBy 1.0 2.000 5.840 333 325 A 69 SER HBy A 62 PHE HEy 1.0 1.995 6.429 334 325 A 69 SER HBy A 62 PHE HEx 1.0 1.995 6.429 335 326 A 90 CYS HBx A 68 SER HBx 1.0 1.946 4.746 336 327 A 68 SER HBx A 70 PHE HZ 1.0 1.997 5.665 337 328 A 68 SER HBx A 70 PHE HEy 1.0 1.982 6.792 338 328 A 68 SER HBx A 70 PHE HEx 1.0 1.982 6.792 339 329 A 50 HIS HBx A 51 GLN HGy 1.0 1.987 6.657 340 330 A 65 MET HA A 65 MET HGy 1.0 1.940 4.682 341 331 A 32 ALA HB% A 31 HIS HA 1.0 1.996 5.648 342 332 A 31 HIS HA A 19 VAL HGx% 1.0 1.862 4.036 343 333 A 88 LEU HBx A 64 GLU HGx 1.0 1.998 6.258 344 334 A 64 GLU HA A 64 GLU HGx 1.0 1.826 3.816 345 335 A 63 CYS HA A 64 GLU HGx 1.0 1.908 7.798 346 336 A 63 CYS HA A 64 GLU HGy 1.0 1.999 6.179 347 337 A 62 PHE HA A 62 PHE HBy 1.0 1.778 3.556 348 338 A 62 PHE HA A 62 PHE HBx 1.0 1.939 4.667 349 339 A 61 SER HA A 62 PHE HDy 1.0 1.985 5.333 350 339 A 61 SER HA A 62 PHE HDx 1.0 1.985 5.333 351 340 A 60 ALA HB% A 75 ARG HDy 1.0 1.774 3.536 352 341 A 60 ALA HB% A 72 LYS HA 1.0 1.841 3.909 353 342 A 60 ALA HB% A 59 ALA HA 1.0 1.997 5.715 354 343 A 71 CYS HA A 60 ALA HB% 1.0 1.846 3.934 355 344 A 71 CYS HBy A 59 ALA HA 1.0 1.986 5.328 356 345 A 71 CYS HA A 59 ALA HA 1.0 1.591 2.791 357 346 A 59 ALA HB% A 62 PHE HEx 1.0 1.748 3.412 358 346 A 59 ALA HB% A 62 PHE HEy 1.0 1.748 3.412 359 347 A 59 ALA HB% A 62 PHE HDy 1.0 1.967 5.003 360 347 A 59 ALA HB% A 62 PHE HDx 1.0 1.967 5.003 361 348 A 70 PHE HA A 59 ALA HB% 1.0 1.954 4.830 362 349 A 59 ALA HB% A 50 HIS HA 1.0 1.678 3.114 363 350 A 69 SER HBx A 59 ALA HB% 1.0 1.624 2.906 364 351 A 59 ALA HB% A 52 CYS HA 1.0 1.769 3.511 365 352 A 59 ALA HB% A 60 ALA HB% 1.0 1.976 5.142 366 353 A 59 ALA HB% A 50 HIS HBy 1.0 1.972 5.088 367 354 A 9 CYS HA A 30 TYR HA 1.0 1.704 3.220 368 355 A 59 ALA HB% A 58 GLU HA 1.0 1.999 6.181 369 356 A 55 CYS HA A 54 VAL HGx% 1.0 1.899 4.301 370 357 A 55 CYS HBx A 55 CYS HBy 1.0 1.488 2.466 371 358 A 74 HIS HBy A 54 VAL HB 1.0 1.877 4.139 372 359 A 29 VAL HGx% A 18 LEU HDy% 1.0 1.640 2.966 373 360 A 74 HIS HBy A 54 VAL HGx% 1.0 1.996 5.638 374 361 A 55 CYS HBy A 54 VAL HGx% 1.0 1.998 6.264 375 362 A 74 HIS HBx A 54 VAL HGx% 1.0 1.948 4.764 376 363 A 74 HIS HA A 54 VAL HGy% 1.0 2.000 5.964 377 364 A 54 VAL HGy% A 53 ASP HBx 1.0 1.851 3.965 378 365 A 51 GLN HGx A 51 GLN HA 1.0 1.693 3.171 379 366 A 51 GLN HGy A 51 GLN HA 1.0 1.974 5.112 380 367 A 58 GLU HA A 51 GLN HA 1.0 1.924 4.514 381 368 A 35 LEU HDy% A 48 PRO HDy 1.0 1.770 3.516 382 369 A 37 LEU HB2 A 37 LEU HDy% 1.0 1.756 3.450 383 370 A 37 LEU HA A 37 LEU HDx% 1.0 1.955 4.847 384 371 A 37 LEU HDx% A 37 LEU HG 1.0 1.529 2.587 385 372 A 30 TYR HBy A 35 LEU HDy% 1.0 1.834 3.864 386 373 A 35 LEU HDy% A 45 TRP HZ2 1.0 1.863 4.047 387 374 A 36 ASN HBy A 36 ASN HBx 1.0 1.361 2.115 388 375 A 35 LEU HDx% A 35 LEU HBy 1.0 1.565 2.701 389 376 A 32 ALA HB% A 19 VAL HGx% 1.0 1.581 2.759 390 377 A 31 HIS HA A 31 HIS HBx 1.0 1.902 4.324 391 378 A 30 TYR HA A 9 CYS HBx 1.0 1.835 3.869 392 379 A 20 SER HA A 29 VAL HA 1.0 1.730 3.328 393 380 A 19 VAL HB A 19 VAL HGx% 1.0 1.486 2.456 394 381 A 30 TYR HBy A 19 VAL HGx% 1.0 1.787 6.000 395 382 A 32 ALA HA A 19 VAL HGx% 1.0 1.694 3.174 396 383 A 19 VAL HA A 19 VAL HGx% 1.0 1.830 3.836 397 384 A 19 VAL HGy% A 45 TRP HE3 1.0 1.919 4.465 398 385 A 18 LEU HBx A 18 LEU HBy 1.0 1.499 2.495 399 386 A 18 LEU HBx A 29 VAL HB 1.0 1.961 4.923 400 387 A 18 LEU HBy A 29 VAL HB 1.0 1.982 5.258 401 388 A 18 LEU HDy% A 29 VAL HB 1.0 1.939 4.667 402 389 A 29 VAL HGy% A 18 LEU HDy% 1.0 1.931 4.585 403 390 A 18 LEU HDy% A 9 CYS HBy 1.0 1.967 4.999 404 391 A 31 HIS HA A 18 LEU HDy% 1.0 1.830 3.838 405 392 A 14 ASP HA A 31 HIS HE1 1.0 1.999 6.157 406 393 A 15 ALA HB% A 14 ASP HA 1.0 1.997 5.671 407 394 A 14 ASP HA A 8 GLU HGx 1.0 1.939 4.669 408 395 A 18 LEU HG A 15 ALA HA 1.0 1.827 3.817 409 396 A 18 LEU HDy% A 15 ALA HA 1.0 1.874 4.116 410 397 A 8 GLU HA A 15 ALA HA 1.0 1.687 3.147 411 398 A 8 GLU HA A 15 ALA HB% 1.0 1.740 3.374 412 399 A 16 GLY HAy A 15 ALA HB% 1.0 1.997 5.663 413 400 A 18 LEU HG A 15 ALA HB% 1.0 1.913 4.421 414 401 A 18 LEU HDy% A 15 ALA HB% 1.0 1.945 4.729 415 402 A 10 PHE HBy A 10 PHE HDy 1.0 1.994 5.576 416 402 A 10 PHE HBy A 10 PHE HDx 1.0 1.994 5.576 417 403 A 10 PHE HBx A 10 PHE HDy 1.0 1.987 5.377 418 403 A 10 PHE HBx A 10 PHE HDx 1.0 1.987 5.377 419 404 A 9 CYS HBx A 9 CYS HBy 1.0 1.439 2.323 420 405 A 30 TYR HA A 9 CYS HBy 1.0 1.996 6.364 421 406 A 15 ALA HA A 8 GLU HGx 1.0 1.964 4.966 422 407 A 29 VAL HGx% A 6 GLU HBy 1.0 1.988 6.632 423 408 A 85 ASP HA A 85 ASP HBx 1.0 1.820 3.780 424 409 A 67 PRO HA A 49 TRP HD1 1.0 1.826 3.816 425 410 A 57 LYS HA A 57 LYS HBx 1.0 1.735 3.351 426 411 A 41 PRO HDy A 41 PRO HA 1.0 1.994 5.588 427 412 A 41 PRO HDy A 37 LEU HDy% 1.0 1.976 5.142 428 413 A 37 LEU HDy% A 41 PRO HDx 1.0 1.816 3.758 429 414 A 37 LEU HDx% A 41 PRO HDx 1.0 1.822 3.792 430 415 A 41 PRO HDy A 40 ARG HA 1.0 1.663 3.055 431 416 A 41 PRO HDx A 40 ARG HA 1.0 1.725 3.309 432 417 A 28 LYS HA A 28 LYS HGy 1.0 1.983 5.273 433 418 A 28 LYS HA A 28 LYS HGx 1.0 1.850 3.960 434 419 A 27 PRO HDy A 27 PRO HGx 1.0 1.788 3.608 435 420 A 24 PRO HA A 24 PRO HGx 1.0 1.985 5.339 436 421 A 23 LYS HDx A 23 LYS HDy 1.0 1.410 2.244 437 422 A 68 SER HBy A 68 SER HBx 1.0 1.405 2.233 438 423 A 89 SER HBy A 93 HIS HD2 1.0 2.000 6.028 439 424 A 50 HIS HE1 A 26 CYS HBx 1.0 1.999 6.175 440 425 A 54 VAL HB A 74 HIS HD2 1.0 1.991 5.477 441 426 A 90 CYS HBy A 68 SER HBx 1.0 1.896 4.276 442 427 A 64 GLU HGy A 87 ARG HBx 1.0 1.982 5.254 443 428 A 28 LYS HBx A 49 TRP HZ3 1.0 1.950 4.782 444 429 A 28 LYS HBy A 49 TRP HZ3 1.0 1.969 7.031 445 430 A 32 ALA HB% A 37 LEU HB3 1.0 1.632 2.938 446 431 A 28 LYS HBx A 28 LYS HDy 1.0 1.983 5.275 447 432 A 28 LYS HBy A 28 LYS HDy 1.0 1.983 6.763 448 433 A 28 LYS HA A 28 LYS HDy 1.0 1.850 3.960 449 434 A 28 LYS HGy A 28 LYS HGx 1.0 1.675 3.103 450 435 A 28 LYS HDy A 28 LYS HDx 1.0 1.699 3.199 451 436 A 28 LYS HBx A 28 LYS HGy 1.0 1.905 4.353 452 437 A 45 TRP HA A 46 GLU H 1.0 1.671 3.081 453 438 A 46 GLU H A 46 GLU HA 1.0 1.946 4.730 454 439 A 50 HIS HBy A 51 GLN HE22 1.0 1.972 6.980 455 440 A 50 HIS HBx A 51 GLN HE22 1.0 1.998 6.290 456 441 A 51 GLN HGx A 51 GLN HE22 1.0 1.974 5.112 457 442 A 50 HIS HBx A 51 GLN HE21 1.0 1.914 4.426 458 443 A 51 GLN HGy A 51 GLN HE21 1.0 1.999 6.097 459 444 A 51 GLN HGx A 51 GLN HE21 1.0 1.796 3.652 460 445 A 51 GLN HA A 51 GLN HE22 1.0 1.999 6.147 461 446 A 51 GLN HE22 A 51 GLN HE21 1.0 1.319 2.013 462 447 A 45 TRP HA A 45 TRP H 1.0 1.624 2.908 463 448 A 45 TRP H A 45 TRP HBx 1.0 1.561 2.691 464 449 A 45 TRP H A 44 LYS HBy 1.0 1.871 4.097 465 450 A 49 TRP HBy A 49 TRP H 1.0 1.739 3.371 466 451 A 49 TRP HBx A 49 TRP H 1.0 1.905 4.353 467 452 A 66 CYS H A 65 MET H 1.0 1.651 3.007 468 453 A 94 ASP H A 93 HIS H 1.0 1.863 4.047 469 454 A 63 CYS HA A 66 CYS H 1.0 1.987 5.363 470 455 A 66 CYS HA A 66 CYS H 1.0 1.834 3.860 471 456 A 66 CYS HBy A 66 CYS H 1.0 1.946 4.746 472 457 A 66 CYS H A 66 CYS HBx 1.0 1.978 5.180 473 458 A 65 MET HA A 66 CYS H 1.0 1.962 4.936 474 459 A 65 MET HGy A 66 CYS H 1.0 1.968 7.046 475 460 A 65 MET HBy A 66 CYS H 1.0 1.986 6.692 476 461 A 65 MET HBx A 66 CYS H 1.0 1.981 5.237 477 462 A 62 PHE HDy A 49 TRP HE1 1.0 1.948 7.338 478 462 A 62 PHE HDx A 49 TRP HE1 1.0 1.948 7.338 479 463 A 67 PRO HA A 49 TRP HE1 1.0 1.990 5.442 480 464 A 62 PHE HBy A 49 TRP HE1 1.0 1.904 4.350 481 465 A 62 PHE HBx A 49 TRP HE1 1.0 1.981 6.811 482 466 A 21 CYS HBx A 23 LYS H 1.0 1.910 4.392 483 467 A 23 LYS H A 22 LYS HA 1.0 1.870 4.092 484 468 A 50 HIS HD2 A 47 CYS H 1.0 1.947 4.743 485 469 A 50 HIS HBy A 47 CYS H 1.0 1.992 6.528 486 470 A 47 CYS H A 47 CYS HBy 1.0 1.842 3.910 487 471 A 23 LYS H A 22 LYS H 1.0 1.815 3.753 488 472 A 21 CYS HA A 22 LYS H 1.0 1.794 3.642 489 473 A 21 CYS HBy A 22 LYS H 1.0 1.945 7.387 490 474 A 21 CYS HBx A 22 LYS H 1.0 1.993 6.489 491 475 A 21 CYS HBy A 21 CYS H 1.0 1.699 3.197 492 476 A 21 CYS HBx A 21 CYS H 1.0 1.853 3.979 493 477 A 21 CYS HA A 21 CYS H 1.0 1.885 4.193 494 478 A 20 SER HA A 21 CYS H 1.0 1.655 3.021 495 479 A 46 GLU HA A 47 CYS H 1.0 1.781 3.571 496 480 A 93 HIS HA A 94 ASP H 1.0 1.769 3.513 497 481 A 94 ASP HA A 94 ASP H 1.0 1.853 3.979 498 482 A 93 HIS HBy A 94 ASP H 1.0 1.995 5.611 499 483 A 93 HIS HBx A 94 ASP H 1.0 1.997 5.703 500 484 A 94 ASP H A 94 ASP HBx 1.0 1.758 3.458 501 485 A 93 HIS HA A 93 HIS H 1.0 1.857 4.005 502 486 A 92 GLU HA A 93 HIS H 1.0 1.877 4.141 503 487 A 93 HIS HBy A 93 HIS H 1.0 1.999 6.131 504 488 A 93 HIS HBx A 93 HIS H 1.0 1.806 3.702 505 489 A 92 GLU HGy A 93 HIS H 1.0 1.942 7.414 506 490 A 92 GLU HBx A 93 HIS H 1.0 1.999 6.197 507 491 A 92 GLU HBy A 93 HIS H 1.0 1.993 5.539 508 492 A 93 HIS H A 92 GLU H 1.0 1.809 3.717 509 493 A 92 GLU HA A 92 GLU H 1.0 1.811 3.727 510 494 A 92 GLU HBx A 92 GLU H 1.0 1.934 4.612 511 495 A 92 GLU HBy A 92 GLU H 1.0 1.761 3.473 512 496 A 90 CYS HBy A 92 GLU H 1.0 1.991 6.533 513 497 A 90 CYS HA A 92 GLU H 1.0 1.981 6.795 514 498 A 90 CYS HA A 91 THR H 1.0 1.790 3.620 515 499 A 91 THR HA A 91 THR H 1.0 1.848 3.948 516 500 A 90 CYS HBy A 91 THR H 1.0 1.981 5.245 517 501 A 90 CYS HBx A 91 THR H 1.0 1.784 3.584 518 502 A 91 THR HG2% A 91 THR H 1.0 1.765 3.493 519 503 A 79 LEU HDx% A 91 THR H 1.0 1.943 7.417 520 504 A 79 LEU HDx% A 90 CYS H 1.0 1.899 4.307 521 505 A 90 CYS HBx A 90 CYS H 1.0 1.989 5.429 522 506 A 89 SER HA A 90 CYS H 1.0 1.703 3.215 523 507 A 90 CYS HA A 90 CYS H 1.0 1.904 4.350 524 508 A 63 CYS HA A 90 CYS H 1.0 1.958 4.876 525 509 A 90 CYS HBy A 90 CYS H 1.0 1.884 4.190 526 510 A 89 SER HBx A 90 CYS H 1.0 1.999 6.157 527 511 A 93 HIS HD2 A 90 CYS H 1.0 1.922 4.502 528 512 A 91 THR H A 90 CYS H 1.0 1.947 7.353 529 513 A 89 SER HA A 89 SER H 1.0 1.931 4.583 530 514 A 79 LEU HA A 89 SER H 1.0 1.995 6.397 531 515 A 88 LEU HA A 89 SER H 1.0 1.606 2.842 532 516 A 81 ILE HA A 89 SER H 1.0 1.968 5.026 533 517 A 88 LEU HBy A 89 SER H 1.0 1.955 4.839 534 518 A 88 LEU HG A 89 SER H 1.0 1.999 6.179 535 519 A 81 ILE HD1% A 89 SER H 1.0 1.979 5.199 536 520 A 81 ILE HD1% A 88 LEU H 1.0 1.910 4.394 537 521 A 88 LEU HBy A 88 LEU H 1.0 1.888 4.222 538 522 A 64 GLU HGy A 88 LEU H 1.0 1.845 3.925 539 523 A 87 ARG HDx A 88 LEU H 1.0 1.936 7.498 540 524 A 64 GLU HGx A 88 LEU H 1.0 2.000 5.946 541 525 A 87 ARG HA A 88 LEU H 1.0 1.592 2.794 542 526 A 82 SER H A 87 ARG H 1.0 1.901 4.319 543 527 A 85 ASP H A 87 ARG H 1.0 1.977 5.151 544 528 A 85 ASP HA A 87 ARG H 1.0 1.999 5.915 545 529 A 82 SER HBy A 87 ARG H 1.0 1.674 3.094 546 530 A 86 GLY HAx A 87 ARG H 1.0 1.932 4.600 547 531 A 87 ARG HDy A 87 ARG H 1.0 2.000 6.118 548 532 A 85 ASP HBy A 87 ARG H 1.0 1.959 7.187 549 533 A 87 ARG HBy A 87 ARG H 1.0 1.622 2.900 550 534 A 81 ILE HG2% A 86 GLY H 1.0 1.988 5.380 551 535 A 85 ASP HA A 86 GLY H 1.0 1.915 4.429 552 536 A 86 GLY HAy A 86 GLY H 1.0 1.575 2.737 553 537 A 86 GLY HAx A 86 GLY H 1.0 1.769 3.513 554 538 A 82 SER H A 86 GLY H 1.0 1.999 5.855 555 539 A 87 ARG HDy A 86 GLY H 1.0 1.918 7.706 556 540 A 85 ASP H A 84 LEU HDx% 1.0 1.989 6.609 557 541 A 83 LYS HBx A 85 ASP H 1.0 1.959 7.185 558 542 A 84 LEU HBy A 85 ASP H 1.0 1.620 2.892 559 543 A 85 ASP HBy A 85 ASP H 1.0 1.997 5.695 560 544 A 85 ASP HBx A 85 ASP H 1.0 1.869 4.081 561 545 A 86 GLY HAx A 85 ASP H 1.0 1.881 8.075 562 546 A 85 ASP H A 82 SER HBy 1.0 1.827 3.823 563 547 A 85 ASP HA A 85 ASP H 1.0 1.760 3.472 564 548 A 85 ASP H A 84 LEU H 1.0 1.733 3.343 565 549 A 85 ASP H A 86 GLY H 1.0 1.554 2.670 566 550 A 84 LEU HBy A 84 LEU H 1.0 1.544 2.636 567 551 A 84 LEU H A 83 LYS H 1.0 1.771 3.521 568 552 A 83 LYS H A 83 LYS HGx 1.0 1.764 3.488 569 553 A 83 LYS H A 83 LYS HBy 1.0 1.657 3.029 570 554 A 82 SER HA A 83 LYS H 1.0 1.623 2.905 571 555 A 83 LYS HA A 83 LYS H 1.0 1.854 3.982 572 556 A 83 LYS H A 82 SER H 1.0 1.993 6.455 573 557 A 83 LYS H A 86 GLY H 1.0 1.986 6.704 574 558 A 81 ILE HG2% A 82 SER H 1.0 1.754 3.440 575 559 A 64 GLU HGx A 64 GLU H 1.0 1.974 5.104 576 560 A 64 GLU HGy A 64 GLU H 1.0 1.698 3.190 577 561 A 64 GLU H A 64 GLU HBx 1.0 1.771 3.519 578 562 A 64 GLU HA A 64 GLU H 1.0 1.836 3.878 579 563 A 89 SER HA A 64 GLU H 1.0 1.924 4.516 580 564 A 81 ILE HG1y A 82 SER H 1.0 1.977 6.879 581 565 A 86 GLY HAy A 82 SER H 1.0 1.539 6.000 582 566 A 82 SER HA A 82 SER H 1.0 1.766 3.498 583 567 A 64 GLU H A 90 CYS H 1.0 1.987 6.667 584 568 A 80 PHE H A 81 ILE H 1.0 2.000 6.052 585 569 A 81 ILE HA A 81 ILE H 1.0 1.855 3.991 586 570 A 80 PHE HA A 81 ILE H 1.0 1.671 3.087 587 571 A 80 PHE HBx A 81 ILE H 1.0 1.794 3.638 588 572 A 81 ILE HB A 81 ILE H 1.0 1.674 3.096 589 573 A 81 ILE HG1x A 81 ILE H 1.0 1.756 3.454 590 574 A 81 ILE HG1y A 81 ILE H 1.0 1.996 5.666 591 575 A 80 PHE HDx A 80 PHE H 1.0 1.985 5.335 592 575 A 80 PHE HDy A 80 PHE H 1.0 1.985 5.335 593 576 A 79 LEU HA A 80 PHE H 1.0 1.673 3.091 594 577 A 80 PHE HA A 80 PHE H 1.0 1.870 4.096 595 578 A 80 PHE HBy A 80 PHE H 1.0 1.921 4.489 596 579 A 79 LEU HBx A 80 PHE H 1.0 2.000 6.074 597 580 A 79 LEU HBy A 80 PHE H 1.0 1.984 5.314 598 581 A 79 LEU HDx% A 80 PHE H 1.0 1.887 4.211 599 582 A 79 LEU HBx A 79 LEU H 1.0 1.769 3.513 600 583 A 78 MET HBx A 79 LEU H 1.0 1.986 5.364 601 584 A 79 LEU HA A 79 LEU H 1.0 1.883 4.179 602 585 A 78 MET HA A 79 LEU H 1.0 2.000 6.040 603 586 A 77 GLY H A 79 LEU H 1.0 1.941 7.437 604 587 A 78 MET HA A 78 MET H 1.0 1.905 4.353 605 588 A 77 GLY HAy A 78 MET H 1.0 1.939 4.663 606 589 A 78 MET H A 78 MET HGx 1.0 1.827 3.817 607 590 A 91 THR HG2% A 78 MET H 1.0 1.995 6.429 608 591 A 78 MET HBy A 78 MET H 1.0 1.823 3.795 609 592 A 78 MET H A 79 LEU H 1.0 1.704 3.220 610 593 A 77 GLY H A 78 MET H 1.0 1.896 4.282 611 594 A 76 GLU HA A 77 GLY H 1.0 1.666 3.066 612 595 A 31 HIS HBy A 33 ASP H 1.0 1.688 3.150 613 596 A 32 ALA HB% A 33 ASP H 1.0 1.713 3.257 614 597 A 33 ASP H A 34 CYS H 1.0 1.784 3.586 615 598 A 25 GLY H A 26 CYS H 1.0 1.882 4.174 616 599 A 33 ASP H A 32 ALA H 1.0 1.785 3.595 617 600 A 76 GLU HA A 76 GLU H 1.0 1.812 3.736 618 601 A 75 ARG HA A 76 GLU H 1.0 1.947 4.755 619 602 A 76 GLU HBx A 76 GLU H 1.0 1.593 2.797 620 603 A 75 ARG HGx A 76 GLU H 1.0 1.882 4.174 621 604 A 75 ARG HDy A 75 ARG H 1.0 1.989 6.593 622 605 A 75 ARG HA A 75 ARG H 1.0 1.812 3.734 623 606 A 76 GLU HA A 75 ARG H 1.0 1.916 7.730 624 607 A 74 HIS HA A 75 ARG H 1.0 1.934 4.612 625 608 A 76 GLU H A 75 ARG H 1.0 1.725 3.311 626 609 A 74 HIS HA A 74 HIS H 1.0 1.896 4.276 627 610 A 73 GLN HA A 74 HIS H 1.0 1.961 4.921 628 611 A 74 HIS HBx A 74 HIS H 1.0 1.985 5.327 629 612 A 74 HIS HBy A 74 HIS H 1.0 1.752 3.428 630 613 A 71 CYS HBy A 74 HIS H 1.0 2.000 5.994 631 614 A 71 CYS H A 74 HIS H 1.0 1.995 5.627 632 615 A 73 GLN HGx A 74 HIS H 1.0 1.948 7.338 633 616 A 72 LYS HGx A 74 HIS H 1.0 1.927 7.603 634 617 A 73 GLN HGy A 73 GLN H 1.0 1.980 5.212 635 618 A 73 GLN HBy A 73 GLN H 1.0 1.613 2.869 636 619 A 71 CYS HBy A 73 GLN H 1.0 1.946 4.732 637 620 A 72 LYS HA A 73 GLN H 1.0 1.861 4.029 638 621 A 73 GLN HA A 73 GLN H 1.0 1.782 3.574 639 622 A 71 CYS HA A 73 GLN H 1.0 1.974 5.118 640 623 A 73 GLN H A 74 HIS H 1.0 1.712 3.252 641 624 A 72 LYS H A 73 GLN H 1.0 1.793 3.637 642 625 A 71 CYS HA A 72 LYS H 1.0 1.614 2.872 643 626 A 71 CYS HBx A 72 LYS H 1.0 1.952 4.808 644 627 A 71 CYS HBy A 72 LYS H 1.0 1.721 3.291 645 628 A 72 LYS HB3 A 72 LYS H 1.0 1.668 3.072 646 629 A 72 LYS HGy A 72 LYS H 1.0 1.625 2.909 647 630 A 70 PHE HA A 71 CYS H 1.0 1.692 3.168 648 631 A 71 CYS HA A 71 CYS H 1.0 1.893 4.253 649 632 A 52 CYS HA A 71 CYS H 1.0 1.981 5.233 650 633 A 52 CYS HBx A 71 CYS H 1.0 1.739 3.369 651 634 A 70 PHE HBx A 71 CYS H 1.0 1.992 5.508 652 635 A 70 PHE HBy A 71 CYS H 1.0 1.918 4.460 653 636 A 71 CYS H A 55 CYS H 1.0 1.999 5.817 654 637 A 71 CYS H A 70 PHE H 1.0 1.998 6.262 655 638 A 70 PHE HBy A 70 PHE H 1.0 1.996 5.626 656 639 A 69 SER HBy A 70 PHE H 1.0 1.996 5.642 657 640 A 61 SER HBx A 70 PHE H 1.0 1.984 5.292 658 641 A 69 SER HA A 70 PHE H 1.0 1.727 3.317 659 642 A 71 CYS HA A 70 PHE H 1.0 1.998 6.216 660 643 A 70 PHE HA A 70 PHE H 1.0 1.930 4.580 661 644 A 62 PHE HDx A 70 PHE H 1.0 1.953 7.269 662 644 A 62 PHE HDy A 70 PHE H 1.0 1.953 7.269 663 645 A 61 SER H A 70 PHE H 1.0 1.883 4.187 664 646 A 62 PHE HEx A 70 PHE H 1.0 1.970 6.000 665 646 A 62 PHE HEy A 70 PHE H 1.0 1.970 6.000 666 647 A 63 CYS H A 70 PHE H 1.0 1.951 7.299 667 648 A 61 SER HG A 70 PHE H 1.0 1.974 5.120 668 649 A 59 ALA HB% A 70 PHE H 1.0 1.844 3.920 669 650 A 49 TRP HD1 A 69 SER H 1.0 1.988 5.394 670 651 A 69 SER H A 53 ASP H 1.0 1.947 4.745 671 652 A 68 SER HA A 69 SER H 1.0 1.607 2.849 672 653 A 69 SER HA A 69 SER H 1.0 1.869 4.083 673 654 A 68 SER HBy A 69 SER H 1.0 1.956 4.854 674 655 A 68 SER HBx A 69 SER H 1.0 2.000 6.056 675 656 A 53 ASP HBy A 69 SER H 1.0 1.980 5.206 676 657 A 53 ASP HBx A 69 SER H 1.0 1.994 6.474 677 658 A 69 SER HBy A 69 SER H 1.0 1.996 5.620 678 659 A 68 SER HA A 68 SER H 1.0 1.867 4.069 679 660 A 67 PRO HA A 68 SER H 1.0 1.936 4.628 680 661 A 68 SER HG A 68 SER H 1.0 1.976 5.160 681 662 A 68 SER HBy A 68 SER H 1.0 1.945 4.727 682 663 A 68 SER HBx A 68 SER H 1.0 1.795 3.645 683 664 A 67 PRO HGy A 68 SER H 1.0 1.999 6.149 684 665 A 69 SER H A 68 SER H 1.0 1.964 7.118 685 666 A 66 CYS H A 68 SER H 1.0 1.989 5.435 686 667 A 65 MET H A 64 GLU H 1.0 1.793 3.635 687 668 A 64 GLU HA A 65 MET H 1.0 1.940 4.668 688 669 A 65 MET HA A 65 MET H 1.0 1.888 4.220 689 670 A 63 CYS HA A 65 MET H 1.0 1.960 4.906 690 671 A 65 MET H A 66 CYS HBx 1.0 1.931 7.565 691 672 A 65 MET HGy A 65 MET H 1.0 1.855 3.987 692 673 A 65 MET HBy A 65 MET H 1.0 1.996 5.650 693 674 A 65 MET HBx A 65 MET H 1.0 1.796 3.650 694 675 A 79 LEU HDy% A 63 CYS H 1.0 1.881 4.171 695 676 A 69 SER HBy A 63 CYS H 1.0 1.999 5.879 696 677 A 62 PHE HBx A 63 CYS H 1.0 1.979 6.829 697 678 A 49 TRP HD1 A 63 CYS H 1.0 1.986 6.696 698 679 A 49 TRP HE1 A 63 CYS H 1.0 1.984 5.294 699 680 A 88 LEU HDx% A 62 PHE H 1.0 1.812 3.736 700 681 A 62 PHE HBx A 62 PHE H 1.0 1.829 3.837 701 682 A 61 SER HBx A 62 PHE H 1.0 1.855 3.991 702 683 A 61 SER HA A 62 PHE H 1.0 1.679 3.117 703 684 A 62 PHE HA A 62 PHE H 1.0 1.857 4.001 704 685 A 62 PHE HEy A 62 PHE H 1.0 1.995 6.385 705 685 A 62 PHE HEx A 62 PHE H 1.0 1.995 6.385 706 686 A 62 PHE HDy A 62 PHE H 1.0 1.934 4.614 707 686 A 62 PHE HDx A 62 PHE H 1.0 1.934 4.614 708 687 A 63 CYS H A 62 PHE H 1.0 1.990 6.576 709 688 A 61 SER H A 60 ALA H 1.0 1.559 2.685 710 689 A 71 CYS HA A 61 SER H 1.0 1.999 5.797 711 690 A 61 SER HBx A 61 SER H 1.0 1.970 5.054 712 691 A 59 ALA HA A 61 SER H 1.0 2.000 5.972 713 692 A 61 SER HBy A 61 SER H 1.0 1.783 3.585 714 693 A 75 ARG HDy A 61 SER H 1.0 1.952 4.804 715 694 A 59 ALA HB% A 61 SER H 1.0 1.920 4.486 716 695 A 60 ALA HB% A 61 SER H 1.0 1.817 3.765 717 696 A 59 ALA HA A 60 ALA H 1.0 1.642 2.976 718 697 A 59 ALA HB% A 60 ALA H 1.0 1.876 4.132 719 698 A 60 ALA HB% A 60 ALA H 1.0 1.682 3.126 720 699 A 75 ARG HDy A 60 ALA H 1.0 1.950 4.778 721 700 A 60 ALA H A 59 ALA H 1.0 1.994 6.438 722 701 A 75 ARG HDx A 60 ALA H 1.0 1.959 7.175 723 702 A 51 GLN HA A 59 ALA H 1.0 1.816 3.758 724 703 A 58 GLU HA A 59 ALA H 1.0 1.553 2.667 725 704 A 59 ALA HA A 59 ALA H 1.0 1.800 3.668 726 705 A 51 GLN HGx A 59 ALA H 1.0 1.970 6.000 727 706 A 59 ALA HB% A 59 ALA H 1.0 1.638 2.956 728 707 A 59 ALA H A 58 GLU H 1.0 2.000 5.974 729 708 A 57 LYS HA A 58 GLU H 1.0 1.692 3.168 730 709 A 58 GLU HA A 58 GLU H 1.0 1.723 3.297 731 710 A 58 GLU H A 58 GLU HGx 1.0 1.998 5.730 732 711 A 58 GLU H A 57 LYS HBy 1.0 1.706 3.224 733 712 A 57 LYS HA A 57 LYS H 1.0 1.770 3.514 734 713 A 56 GLY HAy A 57 LYS H 1.0 1.950 4.782 735 714 A 52 CYS HBx A 57 LYS H 1.0 1.961 4.927 736 715 A 52 CYS HBy A 57 LYS H 1.0 1.780 3.564 737 716 A 57 LYS H A 52 CYS H 1.0 1.993 5.541 738 717 A 55 CYS HA A 56 GLY H 1.0 1.971 5.061 739 718 A 51 GLN HA A 56 GLY H 1.0 1.882 8.052 740 719 A 56 GLY HAx A 56 GLY H 1.0 1.689 3.159 741 720 A 56 GLY HAy A 56 GLY H 1.0 1.813 3.741 742 721 A 52 CYS HBx A 56 GLY H 1.0 1.999 5.759 743 722 A 52 CYS HBy A 56 GLY H 1.0 1.771 3.521 744 723 A 54 VAL HGx% A 56 GLY H 1.0 1.923 7.651 745 724 A 55 CYS H A 56 GLY H 1.0 1.683 3.131 746 725 A 52 CYS H A 56 GLY H 1.0 2.000 5.888 747 726 A 55 CYS HA A 55 CYS H 1.0 1.879 4.153 748 727 A 56 GLY HAx A 55 CYS H 1.0 1.894 7.942 749 728 A 56 GLY HAy A 55 CYS H 1.0 1.984 6.734 750 729 A 52 CYS HBx A 55 CYS H 1.0 1.992 5.506 751 730 A 55 CYS H A 57 LYS H 1.0 1.990 5.458 752 731 A 54 VAL HB A 55 CYS H 1.0 1.648 2.994 753 732 A 54 VAL HGx% A 55 CYS H 1.0 1.925 4.525 754 733 A 54 VAL HGy% A 55 CYS H 1.0 1.998 5.780 755 734 A 54 VAL HB A 54 VAL H 1.0 1.695 3.179 756 735 A 54 VAL HGy% A 54 VAL H 1.0 1.748 3.412 757 736 A 54 VAL HGx% A 54 VAL H 1.0 1.987 5.371 758 737 A 53 ASP HA A 54 VAL H 1.0 1.959 4.897 759 738 A 54 VAL HA A 54 VAL H 1.0 1.850 3.962 760 739 A 52 CYS HBx A 54 VAL H 1.0 1.997 5.719 761 740 A 55 CYS HBx A 54 VAL H 1.0 2.000 5.978 762 741 A 53 ASP HBx A 54 VAL H 1.0 1.967 5.005 763 742 A 55 CYS H A 54 VAL H 1.0 1.741 3.377 764 743 A 53 ASP H A 54 VAL H 1.0 1.846 3.938 765 744 A 70 PHE HA A 53 ASP H 1.0 1.907 4.363 766 745 A 71 CYS H A 53 ASP H 1.0 1.972 6.972 767 746 A 52 CYS HA A 53 ASP H 1.0 1.622 2.902 768 747 A 52 CYS HBx A 53 ASP H 1.0 1.984 6.730 769 748 A 70 PHE HBx A 53 ASP H 1.0 1.924 7.640 770 749 A 53 ASP HBy A 53 ASP H 1.0 1.844 3.922 771 750 A 53 ASP HBx A 53 ASP H 1.0 1.833 3.855 772 751 A 54 VAL HB A 53 ASP H 1.0 1.955 7.247 773 752 A 54 VAL HGy% A 53 ASP H 1.0 2.000 5.954 774 753 A 59 ALA HB% A 53 ASP H 1.0 1.984 6.748 775 754 A 51 GLN HA A 52 CYS H 1.0 1.619 2.889 776 755 A 52 CYS HA A 52 CYS H 1.0 1.839 3.887 777 756 A 52 CYS HBx A 52 CYS H 1.0 1.741 3.381 778 757 A 52 CYS HBy A 52 CYS H 1.0 1.698 3.192 779 758 A 51 GLN HGy A 52 CYS H 1.0 1.937 7.473 780 759 A 51 GLN HGx A 52 CYS H 1.0 1.999 5.875 781 760 A 51 GLN HBx A 52 CYS H 1.0 1.923 4.503 782 761 A 59 ALA HB% A 52 CYS H 1.0 1.967 5.001 783 762 A 59 ALA H A 52 CYS H 1.0 1.976 5.152 784 763 A 51 GLN HA A 51 GLN H 1.0 1.832 3.848 785 764 A 51 GLN HGy A 51 GLN H 1.0 1.979 6.847 786 765 A 50 HIS HBx A 51 GLN H 1.0 1.999 5.873 787 766 A 51 GLN HGx A 51 GLN H 1.0 1.777 3.553 788 767 A 51 GLN HBy A 51 GLN H 1.0 1.929 4.567 789 768 A 59 ALA HB% A 51 GLN H 1.0 1.948 4.762 790 769 A 50 HIS HD2 A 51 GLN H 1.0 1.953 7.279 791 770 A 18 LEU HA A 19 VAL H 1.0 1.609 2.853 792 771 A 19 VAL HB A 19 VAL H 1.0 1.871 4.093 793 772 A 29 VAL HB A 19 VAL H 1.0 2.000 6.020 794 773 A 18 LEU HBy A 19 VAL H 1.0 1.995 5.611 795 774 A 18 LEU HBx A 19 VAL H 1.0 1.801 3.675 796 775 A 19 VAL HGx% A 19 VAL H 1.0 1.641 2.969 797 776 A 18 LEU HG A 19 VAL H 1.0 1.990 6.562 798 777 A 18 LEU HDy% A 19 VAL H 1.0 1.973 5.099 799 778 A 50 HIS HA A 50 HIS H 1.0 1.899 4.299 800 779 A 50 HIS HBy A 50 HIS H 1.0 2.000 5.930 801 780 A 50 HIS HBx A 50 HIS H 1.0 1.797 3.653 802 781 A 49 TRP HBx A 50 HIS H 1.0 1.952 4.806 803 782 A 51 GLN HGx A 50 HIS H 1.0 1.984 5.300 804 783 A 51 GLN HBy A 50 HIS H 1.0 1.919 7.695 805 784 A 49 TRP H A 50 HIS H 1.0 1.845 3.925 806 785 A 50 HIS HD2 A 50 HIS H 1.0 1.926 4.536 807 786 A 49 TRP HA A 50 HIS H 1.0 1.999 5.799 808 787 A 59 ALA HB% A 50 HIS H 1.0 1.993 6.463 809 788 A 47 CYS H A 47 CYS HBx 1.0 2.000 5.896 810 789 A 21 CYS HBx A 47 CYS H 1.0 1.994 6.428 811 790 A 21 CYS HA A 47 CYS H 1.0 1.997 5.731 812 791 A 45 TRP HD1 A 46 GLU H 1.0 1.959 4.895 813 792 A 45 TRP H A 44 LYS HGx 1.0 1.979 6.847 814 793 A 42 ALA HB% A 43 GLY H 1.0 1.973 5.091 815 794 A 42 ALA HA A 43 GLY H 1.0 1.761 3.473 816 795 A 42 ALA HA A 42 ALA H 1.0 1.840 3.898 817 796 A 41 PRO HA A 42 ALA H 1.0 1.621 2.897 818 797 A 45 TRP HBy A 42 ALA H 1.0 1.960 7.178 819 798 A 42 ALA HB% A 42 ALA H 1.0 1.647 2.989 820 799 A 39 LYS HBy A 39 LYS H 1.0 1.875 4.123 821 800 A 39 LYS HA A 39 LYS H 1.0 1.797 3.653 822 801 A 39 LYS H A 38 THR H 1.0 1.858 4.014 823 802 A 37 LEU HA A 38 THR H 1.0 1.779 3.559 824 803 A 38 THR HG2% A 38 THR H 1.0 1.957 4.865 825 804 A 37 LEU HA A 37 LEU H 1.0 1.668 3.072 826 805 A 37 LEU HB3 A 37 LEU H 1.0 1.611 2.861 827 806 A 36 ASN HBx A 37 LEU H 1.0 1.994 5.566 828 807 A 32 ALA HA A 37 LEU H 1.0 1.994 5.576 829 808 A 37 LEU H A 35 LEU H 1.0 1.987 5.379 830 809 A 35 LEU HDx% A 36 ASN H 1.0 1.988 6.640 831 810 A 36 ASN HBy A 36 ASN H 1.0 1.930 4.576 832 811 A 36 ASN HBx A 36 ASN H 1.0 1.982 5.244 833 812 A 36 ASN HA A 36 ASN H 1.0 1.587 2.777 834 813 A 35 LEU H A 36 ASN H 1.0 1.752 3.428 835 814 A 35 LEU HDx% A 35 LEU H 1.0 1.974 5.114 836 815 A 35 LEU H A 35 LEU HBx 1.0 1.653 3.013 837 816 A 35 LEU HA A 35 LEU H 1.0 1.831 3.847 838 817 A 32 ALA HA A 35 LEU H 1.0 1.949 4.765 839 818 A 34 CYS HBx A 35 LEU H 1.0 1.956 4.846 840 819 A 33 ASP HA A 34 CYS H 1.0 1.952 4.806 841 820 A 34 CYS HA A 34 CYS H 1.0 1.860 4.026 842 821 A 31 HIS HBx A 34 CYS H 1.0 1.680 3.118 843 822 A 35 LEU HBy A 34 CYS H 1.0 1.942 7.412 844 823 A 35 LEU HDx% A 34 CYS H 1.0 1.987 6.667 845 824 A 31 HIS H A 34 CYS H 1.0 1.991 6.545 846 825 A 36 ASN H A 34 CYS H 1.0 1.997 6.311 847 826 A 33 ASP HA A 33 ASP H 1.0 1.802 3.682 848 827 A 31 HIS HA A 32 ALA H 1.0 1.588 2.780 849 828 A 32 ALA HA A 32 ALA H 1.0 1.713 3.257 850 829 A 33 ASP HBx A 32 ALA H 1.0 1.937 7.481 851 830 A 32 ALA HB% A 32 ALA H 1.0 1.558 2.680 852 831 A 19 VAL HGx% A 32 ALA H 1.0 1.826 3.816 853 832 A 32 ALA H A 34 CYS H 1.0 1.976 6.918 854 833 A 31 HIS H A 32 ALA H 1.0 1.979 6.857 855 834 A 30 TYR HA A 31 HIS H 1.0 1.697 3.191 856 835 A 31 HIS HA A 31 HIS H 1.0 1.863 4.041 857 836 A 9 CYS HA A 31 HIS H 1.0 2.000 5.950 858 837 A 31 HIS HBx A 31 HIS H 1.0 1.780 3.566 859 838 A 31 HIS HBy A 31 HIS H 1.0 1.988 5.396 860 839 A 30 TYR HBy A 31 HIS H 1.0 1.861 4.031 861 840 A 9 CYS HBx A 31 HIS H 1.0 1.858 4.006 862 841 A 18 LEU HDy% A 31 HIS H 1.0 1.913 4.417 863 842 A 30 TYR HBx A 31 HIS H 1.0 1.974 5.112 864 843 A 33 ASP H A 31 HIS H 1.0 2.000 6.090 865 844 A 19 VAL H A 30 TYR H 1.0 1.808 3.714 866 845 A 30 TYR HDy A 30 TYR H 1.0 1.962 4.946 867 845 A 30 TYR HDx A 30 TYR H 1.0 1.962 4.946 868 846 A 30 TYR HA A 30 TYR H 1.0 1.917 4.457 869 847 A 29 VAL HA A 30 TYR H 1.0 1.703 3.215 870 848 A 30 TYR HBy A 30 TYR H 1.0 1.925 4.533 871 849 A 30 TYR HBx A 30 TYR H 1.0 1.933 4.599 872 850 A 29 VAL HB A 30 TYR H 1.0 1.938 4.652 873 851 A 18 LEU HBy A 30 TYR H 1.0 1.990 6.578 874 852 A 18 LEU HBx A 30 TYR H 1.0 1.855 3.995 875 853 A 29 VAL HGy% A 30 TYR H 1.0 1.807 3.705 876 854 A 18 LEU HDy% A 30 TYR H 1.0 1.977 5.171 877 855 A 29 VAL HA A 29 VAL H 1.0 1.942 4.698 878 856 A 28 LYS HA A 29 VAL H 1.0 1.754 3.438 879 857 A 28 LYS HBx A 29 VAL H 1.0 1.987 6.655 880 858 A 28 LYS HBy A 29 VAL H 1.0 1.927 4.537 881 859 A 29 VAL HGy% A 29 VAL H 1.0 1.981 5.237 882 860 A 29 VAL HGx% A 29 VAL H 1.0 1.750 3.420 883 861 A 28 LYS HBx A 28 LYS H 1.0 1.748 3.410 884 862 A 27 PRO HGx A 28 LYS H 1.0 1.987 5.383 885 863 A 28 LYS HGy A 28 LYS H 1.0 1.930 7.564 886 864 A 28 LYS HDy A 28 LYS H 1.0 1.980 5.214 887 865 A 27 PRO HDy A 28 LYS H 1.0 1.817 3.763 888 866 A 28 LYS HA A 28 LYS H 1.0 1.889 4.223 889 867 A 26 CYS HBx A 28 LYS H 1.0 1.965 4.981 890 868 A 49 TRP HZ3 A 28 LYS H 1.0 1.990 6.588 891 869 A 26 CYS HBy A 28 LYS H 1.0 1.982 6.786 892 870 A 26 CYS HA A 26 CYS H 1.0 1.862 4.036 893 871 A 26 CYS HBx A 26 CYS H 1.0 1.828 3.824 894 872 A 21 CYS HBy A 26 CYS H 1.0 1.648 9.708 895 873 A 26 CYS HBy A 26 CYS H 1.0 1.744 3.396 896 874 A 23 LYS H A 23 LYS HA 1.0 1.826 3.810 897 875 A 21 CYS HBy A 23 LYS H 1.0 1.966 7.082 898 876 A 19 VAL HA A 20 SER H 1.0 1.570 2.722 899 877 A 20 SER HA A 20 SER H 1.0 1.871 4.097 900 878 A 19 VAL HB A 20 SER H 1.0 1.982 5.254 901 879 A 19 VAL H A 20 SER H 1.0 1.995 6.429 902 880 A 18 LEU HA A 18 LEU H 1.0 1.830 3.840 903 881 A 17 GLN HA A 18 LEU H 1.0 1.571 2.725 904 882 A 17 GLN HGy A 18 LEU H 1.0 1.999 6.167 905 883 A 18 LEU HBy A 18 LEU H 1.0 1.710 3.244 906 884 A 18 LEU HD11 A 18 LEU H 1.0 1.885 4.197 907 885 A 18 LEU HG A 18 LEU H 1.0 1.838 3.884 908 886 A 18 LEU HDy% A 18 LEU H 1.0 2.000 6.020 909 887 A 19 VAL H A 18 LEU H 1.0 1.987 6.667 910 888 A 17 GLN H A 18 LEU H 1.0 1.978 5.186 911 889 A 31 HIS HD2 A 17 GLN H 1.0 1.920 4.480 912 890 A 16 GLY HAx A 17 GLN H 1.0 1.802 3.676 913 891 A 16 GLY HAy A 17 GLN H 1.0 1.765 3.493 914 892 A 18 LEU HDy% A 17 GLN H 1.0 1.996 6.400 915 893 A 8 GLU HA A 16 GLY H 1.0 1.999 6.231 916 894 A 16 GLY HAy A 16 GLY H 1.0 1.786 3.598 917 895 A 15 ALA HB% A 16 GLY H 1.0 1.644 2.980 918 896 A 18 LEU HD11 A 16 GLY H 1.0 1.913 4.421 919 897 A 18 LEU HG A 16 GLY H 1.0 1.824 3.804 920 898 A 18 LEU HDy% A 16 GLY H 1.0 1.997 5.667 921 899 A 14 ASP HBy A 15 ALA H 1.0 1.763 3.481 922 900 A 15 ALA HB% A 15 ALA H 1.0 1.579 2.749 923 901 A 14 ASP HA A 15 ALA H 1.0 1.609 2.853 924 902 A 15 ALA HA A 15 ALA H 1.0 1.770 3.518 925 903 A 31 HIS HE1 A 15 ALA H 1.0 1.983 6.741 926 904 A 14 ASP HA A 14 ASP H 1.0 1.831 3.845 927 905 A 14 ASP HBx A 14 ASP H 1.0 1.673 3.089 928 906 A 14 ASP H A 13 GLY HAy 1.0 1.944 4.716 929 907 A 9 CYS HBy A 14 ASP H 1.0 1.768 3.508 930 908 A 13 GLY HAx A 14 ASP H 1.0 1.924 4.520 931 909 A 31 HIS HE1 A 14 ASP H 1.0 1.906 4.358 932 910 A 13 GLY HAx A 13 GLY H 1.0 1.704 3.220 933 911 A 13 GLY HAy A 13 GLY H 1.0 1.830 3.838 934 912 A 9 CYS HBy A 13 GLY H 1.0 1.772 3.528 935 913 A 12 CYS HBx A 13 GLY H 1.0 1.981 6.789 936 914 A 12 CYS HA A 13 GLY H 1.0 1.996 5.614 937 915 A 9 CYS HBx A 13 GLY H 1.0 1.975 6.935 938 916 A 10 PHE HA A 13 GLY H 1.0 1.997 5.699 939 917 A 12 CYS HA A 12 CYS H 1.0 1.891 4.243 940 918 A 9 CYS HBx A 12 CYS H 1.0 1.997 6.345 941 919 A 12 CYS HBx A 12 CYS H 1.0 1.974 5.110 942 920 A 12 CYS HBy A 12 CYS H 1.0 1.770 3.520 943 921 A 10 PHE HA A 12 CYS H 1.0 1.999 6.097 944 922 A 12 CYS H A 11 SER H 1.0 1.705 3.223 945 923 A 30 TYR HDy A 11 SER H 1.0 2.000 5.938 946 923 A 30 TYR HDx A 11 SER H 1.0 2.000 5.938 947 924 A 30 TYR HA A 11 SER H 1.0 1.999 5.851 948 925 A 10 PHE HA A 11 SER H 1.0 1.969 5.041 949 926 A 11 SER HBy A 11 SER H 1.0 1.750 3.422 950 927 A 9 CYS HBy A 11 SER H 1.0 1.945 4.737 951 928 A 10 PHE HBy A 11 SER H 1.0 1.993 6.469 952 929 A 30 TYR HA A 10 PHE H 1.0 1.958 4.880 953 930 A 10 PHE HA A 10 PHE H 1.0 1.902 4.328 954 931 A 9 CYS HA A 10 PHE H 1.0 1.658 3.034 955 932 A 10 PHE HBx A 10 PHE H 1.0 1.805 3.697 956 933 A 10 PHE HBy A 10 PHE H 1.0 1.871 4.095 957 934 A 9 CYS HBx A 10 PHE H 1.0 1.973 6.957 958 935 A 29 VAL HGx% A 10 PHE H 1.0 1.978 5.178 959 936 A 18 LEU HDy% A 10 PHE H 1.0 1.942 7.422 960 937 A 15 ALA HB% A 9 CYS H 1.0 1.936 4.630 961 938 A 18 LEU HG A 9 CYS H 1.0 1.956 6.000 962 939 A 18 LEU HDy% A 9 CYS H 1.0 1.857 4.003 963 940 A 9 CYS HBx A 9 CYS H 1.0 1.683 3.129 964 941 A 15 ALA HA A 9 CYS H 1.0 1.854 3.984 965 942 A 8 GLU HA A 9 CYS H 1.0 1.579 2.751 966 943 A 13 GLY HAy A 9 CYS H 1.0 1.935 7.505 967 944 A 9 CYS HBy A 9 CYS H 1.0 1.664 3.058 968 945 A 12 CYS HBx A 9 CYS H 1.0 1.759 9.017 969 946 A 31 HIS HE1 A 9 CYS H 1.0 1.999 5.827 970 947 A 10 PHE H A 9 CYS H 1.0 1.996 6.364 971 948 A 8 GLU H A 7 ASP H 1.0 1.772 3.526 972 949 A 7 ASP HA A 8 GLU H 1.0 1.752 3.430 973 950 A 8 GLU HA A 8 GLU H 1.0 1.765 3.493 974 951 A 8 GLU HBy A 8 GLU H 1.0 1.785 3.593 975 952 A 29 VAL HGx% A 8 GLU H 1.0 1.751 3.427 976 953 A 7 ASP HA A 7 ASP H 1.0 1.824 3.806 977 954 A 7 ASP H A 6 GLU HA 1.0 1.670 3.080 978 955 A 7 ASP H A 6 GLU H 1.0 1.958 7.194 979 956 A 6 GLU H A 5 ARG HA 1.0 1.629 2.927 980 957 A 6 GLU HBy A 6 GLU H 1.0 1.668 3.070 981 958 A 29 VAL HGy% A 6 GLU H 1.0 1.986 5.348 982 959 A 29 VAL HGx% A 6 GLU H 1.0 2.000 6.118 983 960 A 5 ARG H A 5 ARG HBy 1.0 1.627 2.917 984 961 A 2 ALA HB% A 3 MET H 1.0 2.000 6.056 985 962 A 73 GLN HGx A 73 GLN HE21 1.0 1.983 5.279 986 963 A 73 GLN HGx A 73 GLN HE22 1.0 1.960 7.164 987 964 A 45 TRP HD1 A 45 TRP HE1 1.0 1.617 2.881 988 965 A 45 TRP HA A 45 TRP HE1 1.0 1.988 6.638 989 966 A 49 TRP HD1 A 68 SER H 1.0 1.999 5.837 990 967 A 49 TRP HE3 A 28 LYS H 1.0 1.968 7.050 991 968 A 28 LYS HGx A 28 LYS H 1.0 1.861 8.243 992 969 A 10 PHE HBy A 29 VAL H 1.0 1.993 5.547 993 970 A 10 PHE HBx A 29 VAL H 1.0 1.996 6.370 994 971 A 45 TRP HBy A 45 TRP HE3 1.0 2.000 5.962 995 972 A 45 TRP HE3 A 45 TRP HBx 1.0 1.747 3.405 996 973 A 35 LEU HDx% A 45 TRP HZ2 1.0 1.781 3.575 997 974 A 45 TRP HBy A 45 TRP HD1 1.0 1.767 3.501 998 975 A 45 TRP HD1 A 45 TRP HBx 1.0 1.967 5.003 999 976 A 31 HIS HBx A 31 HIS HD2 1.0 1.978 5.178 1000 977 A 31 HIS HBy A 31 HIS HD2 1.0 1.754 3.444 1001 978 A 9 CYS HBx A 31 HIS HE1 1.0 1.770 3.514 1002 979 A 18 LEU HDy% A 31 HIS HD2 1.0 1.715 3.267 1003 980 A 18 LEU HDy% A 31 HIS HE1 1.0 1.961 4.929 1004 981 A 49 TRP HBy A 49 TRP HE3 1.0 1.960 4.910 1005 982 A 80 PHE HEy A 80 PHE HBx 1.0 1.986 5.356 1006 982 A 80 PHE HEx A 80 PHE HBx 1.0 1.986 5.356 1007 983 A 80 PHE HDy A 80 PHE HBx 1.0 1.880 4.158 1008 983 A 80 PHE HDx A 80 PHE HBx 1.0 1.880 4.158 1009 984 A 80 PHE HBy A 80 PHE HDy 1.0 1.889 4.225 1010 984 A 80 PHE HBy A 80 PHE HDx 1.0 1.889 4.225 1011 985 A 80 PHE HBy A 80 PHE HEy 1.0 1.999 6.209 1012 985 A 80 PHE HBy A 80 PHE HEx 1.0 1.999 6.209 1013 986 A 10 PHE HBy A 30 TYR HDy 1.0 1.998 5.764 1014 986 A 10 PHE HBy A 30 TYR HDx 1.0 1.998 5.764 1015 987 A 49 TRP HBx A 49 TRP HE3 1.0 1.814 3.742 1016 988 A 45 TRP HZ3 A 45 TRP HH2 1.0 1.763 3.483 1017 989 A 45 TRP HZ2 A 45 TRP HH2 1.0 1.755 3.445 1018 990 A 49 TRP HZ3 A 49 TRP HE3 1.0 1.772 3.524 1019 991 A 49 TRP HH2 A 49 TRP HZ2 1.0 1.754 3.442 1020 992 A 50 HIS HE1 A 49 TRP HE3 1.0 1.910 4.392 1021 993 A 49 TRP HA A 49 TRP HD1 1.0 1.685 3.141 1022 994 A 64 GLU HA A 49 TRP HZ2 1.0 1.780 3.568 1023 995 A 45 TRP HA A 45 TRP HE3 1.0 1.955 4.853 1024 996 A 69 SER HBx A 49 TRP HD1 1.0 2.000 6.044 1025 997 A 55 CYS HA A 74 HIS HE1 1.0 2.000 5.964 1026 998 A 50 HIS HD2 A 46 GLU HA 1.0 1.992 5.476 1027 999 A 50 HIS HBy A 50 HIS HD2 1.0 1.970 5.042 1028 1000 A 55 CYS HBy A 74 HIS HE1 1.0 1.970 5.042 1029 1001 A 50 HIS HBx A 50 HIS HD2 1.0 1.828 3.824 1030 1002 A 55 CYS HBx A 74 HIS HE1 1.0 1.384 2.176 1031 1003 A 49 TRP HBx A 50 HIS HD2 1.0 1.999 5.789 1032 1004 A 54 VAL HB A 74 HIS HE1 1.0 1.920 4.476 1033 1005 A 93 HIS HBx A 93 HIS HE1 1.0 1.936 6.000 1034 1006 A 93 HIS HE1 A 66 CYS HBx 1.0 1.888 4.220 1035 1007 A 69 SER HBy A 49 TRP HD1 1.0 1.936 4.624 1036 1008 A 49 TRP HBy A 49 TRP HD1 1.0 1.975 5.129 1037 1009 A 62 PHE HBy A 49 TRP HZ2 1.0 1.930 4.568 1038 1010 A 64 GLU HGy A 49 TRP HZ2 1.0 1.999 5.833 1039 1011 A 62 PHE HBx A 49 TRP HZ2 1.0 1.962 4.930 1040 1012 A 35 LEU HDx% A 45 TRP HH2 1.0 1.802 3.680 1041 1013 A 62 PHE HBx A 62 PHE HDy 1.0 1.921 4.489 1042 1013 A 62 PHE HBx A 62 PHE HDx 1.0 1.921 4.489 1043 1014 A 69 SER HBy A 62 PHE HDy 1.0 1.990 5.442 1044 1014 A 69 SER HBy A 62 PHE HDx 1.0 1.990 5.442 1045 1015 A 62 PHE HBy A 62 PHE HDy 1.0 1.932 4.590 1046 1015 A 62 PHE HBy A 62 PHE HDx 1.0 1.932 4.590 1047 1016 A 74 HIS HBx A 74 HIS HD2 1.0 1.881 4.167 1048 1017 A 74 HIS HBy A 74 HIS HD2 1.0 1.986 5.348 1049 1018 A 93 HIS HBx A 93 HIS HD2 1.0 1.783 3.581 1050 1019 A 48 PRO HDy A 45 TRP HZ2 1.0 1.937 4.639 1051 1020 A 10 PHE HBx A 30 TYR HDy 1.0 1.937 4.637 1052 1020 A 10 PHE HBx A 30 TYR HDx 1.0 1.937 4.637 1053 1021 A 50 HIS HA A 62 PHE HDy 1.0 1.990 5.446 1054 1021 A 50 HIS HA A 62 PHE HDx 1.0 1.990 5.446 1055 1022 A 69 SER HBx A 62 PHE HDy 1.0 1.960 4.906 1056 1022 A 69 SER HBx A 62 PHE HDx 1.0 1.960 4.906 1057 1023 A 60 ALA HA A 62 PHE HEy 1.0 1.892 4.252 1058 1023 A 60 ALA HA A 62 PHE HEx 1.0 1.892 4.252 1059 1024 A 62 PHE HA A 62 PHE HEy 1.0 1.990 6.564 1060 1024 A 62 PHE HA A 62 PHE HEx 1.0 1.990 6.564 1061 1025 A 21 CYS HA A 45 TRP HZ3 1.0 1.866 4.064 1062 1026 A 27 PRO HDy A 49 TRP HZ3 1.0 1.911 4.399 1063 1027 A 61 SER HA A 62 PHE HEy 1.0 2.000 5.976 1064 1027 A 61 SER HA A 62 PHE HEx 1.0 2.000 5.976 1065 1028 A 74 HIS HA A 74 HIS HD2 1.0 1.598 2.814 1066 1029 A 31 HIS HA A 31 HIS HD2 1.0 1.729 3.327 1067 1030 A 18 LEU HA A 31 HIS HD2 1.0 1.904 4.344 1068 1031 A 80 PHE HA A 80 PHE HDy 1.0 1.998 5.748 1069 1031 A 80 PHE HA A 80 PHE HDx 1.0 1.998 5.748 1070 1032 A 10 PHE HA A 10 PHE HDy 1.0 1.866 4.064 1071 1032 A 10 PHE HA A 10 PHE HDx 1.0 1.866 4.064 1072 1033 A 78 MET HA A 80 PHE HDy 1.0 2.000 6.040 1073 1033 A 78 MET HA A 80 PHE HDx 1.0 2.000 6.040 1074 1034 A 80 PHE HEy A 82 SER HA 1.0 1.991 5.473 1075 1034 A 80 PHE HEx A 82 SER HA 1.0 1.991 5.473 1076 1035 A 91 THR HA A 80 PHE HDy 1.0 2.000 6.052 1077 1035 A 91 THR HA A 80 PHE HDx 1.0 2.000 6.052 1078 1036 A 65 MET HA A 93 HIS HD2 1.0 1.975 6.935 1079 1037 A 9 CYS HA A 31 HIS HE1 1.0 1.963 7.119 1080 1038 A 89 SER HA A 63 CYS HA 1.0 1.819 3.775 1081 1039 A 19 VAL HGy% A 45 TRP HZ3 1.0 1.910 4.400 1082 1040 A 91 THR HG2% A 80 PHE HEx 1.0 1.900 4.312 1083 1040 A 91 THR HG2% A 80 PHE HEy 1.0 1.900 4.312 1084 1041 A 73 GLN HBx A 74 HIS HD2 1.0 1.982 5.258 1085 1042 A 65 MET HBx A 93 HIS HD2 1.0 1.907 4.373 1086 1043 A 54 VAL HGy% A 74 HIS HD2 1.0 1.949 4.783 1087 1044 A 65 MET HBy A 93 HIS HE1 1.0 1.963 4.957 1088 1045 A 65 MET HBx A 93 HIS HE1 1.0 1.935 4.627 1089 1046 A 49 TRP HZ3 A 49 TRP HZ2 1.0 1.995 6.399 1090 1047 A 45 TRP HE3 A 45 TRP HZ3 1.0 1.766 3.500 1091 1048 A 89 SER HA A 93 HIS HD2 1.0 1.978 5.180 1092 1049 A 50 HIS HE1 A 26 CYS HA 1.0 1.981 5.241 1093 1050 A 49 TRP HH2 A 28 LYS HEy 1.0 1.952 4.814 1094 1051 A 49 TRP HZ3 A 28 LYS HEy 1.0 1.997 5.675 1095 1052 A 91 THR HG2% A 90 CYS HA 1.0 1.992 5.504 1096 1053 A 62 PHE HEy A 62 PHE HDx 1.0 1.878 4.142 1097 1053 A 62 PHE HEy A 62 PHE HDy 1.0 1.878 4.142 1098 1053 A 62 PHE HEx A 62 PHE HDy 1.0 1.878 4.142 1099 1053 A 62 PHE HEx A 62 PHE HDx 1.0 1.878 4.142 1100 1054 A 49 TRP HZ2 A 10 PHE HEy 1.0 2.000 6.078 1101 1054 A 49 TRP HZ2 A 10 PHE HEx 1.0 2.000 6.078 1102 1055 A 49 TRP HZ2 A 62 PHE HDy 1.0 1.962 7.136 1103 1055 A 49 TRP HZ2 A 62 PHE HDx 1.0 1.962 7.136 1104 1056 A 35 LEU HDx% A 45 TRP HZ3 1.0 2.000 5.882 1105 1057 A 45 TRP HE3 A 45 TRP HH2 1.0 1.927 7.597 1106 1058 A 50 HIS HE1 A 49 TRP HZ3 1.0 1.995 6.391 1107 1059 A 48 PRO HDy A 45 TRP HZ3 1.0 1.888 8.012 1108 1060 A 48 PRO HDy A 45 TRP HH2 1.0 1.994 5.602 1109 1061 A 50 HIS HBy A 62 PHE HEy 1.0 1.984 6.738 1110 1061 A 50 HIS HBy A 62 PHE HEx 1.0 1.984 6.738 1111 1062 A 45 TRP HBx A 45 TRP HZ3 1.0 1.921 7.675 1112 1063 A 21 CYS HBy A 45 TRP HZ3 1.0 2.000 5.866 1113 1064 A 10 PHE HBx A 30 TYR HEy 1.0 1.989 6.621 1114 1064 A 10 PHE HBx A 30 TYR HEx 1.0 1.989 6.621 1115 1065 A 50 HIS HE1 A 21 CYS HBx 1.0 1.999 5.783 1116 1066 A 50 HIS HE1 A 49 TRP HBx 1.0 1.999 6.145 1117 1067 A 74 HIS HD2 A 74 HIS HE1 1.0 1.967 7.055 1118 1068 A 73 GLN HBx A 74 HIS HE1 1.0 1.999 6.155 1119 1069 A 54 VAL HGx% A 74 HIS HD2 1.0 1.813 3.741 1120 1070 A 54 VAL HGx% A 74 HIS HE1 1.0 1.753 3.435 1121 1071 A 73 GLN HA A 74 HIS HD2 1.0 1.952 7.280 1122 1072 A 17 GLN HGx A 31 HIS HD2 1.0 1.999 6.079 1123 1073 A 65 MET HGx A 93 HIS HE1 1.0 1.832 8.488 1124 1074 A 92 GLU HBy A 93 HIS HE1 1.0 1.992 5.494 1125 1075 A 65 MET HBy A 93 HIS HD2 1.0 1.997 6.331 1126 1076 A 92 GLU HBx A 93 HIS HE1 1.0 1.976 6.898 1127 1077 A 18 LEU HG A 31 HIS HD2 1.0 1.983 5.275 1128 1078 A 18 LEU HG A 31 HIS HE1 1.0 1.973 6.963 1129 1079 A 93 HIS HBy A 93 HIS HD2 1.0 1.889 4.227 1130 1080 A 17 GLN HA A 31 HIS HD2 1.0 2.000 6.066 1131 1081 A 9 CYS HA A 31 HIS HD2 1.0 1.925 7.631 1132 1082 A 15 ALA HA A 31 HIS HE1 1.0 2.000 5.940 1133 1083 A 30 TYR HA A 31 HIS HE1 1.0 1.898 7.908 1134 1084 A 90 CYS HA A 93 HIS HD2 1.0 1.923 7.641 1135 1085 A 20 SER HBx A 29 VAL HA 1.0 1.780 8.874 1136 1086 A 20 SER HBy A 29 VAL HA 1.0 2.000 5.916 1137 1087 A 18 LEU HBy A 29 VAL HA 1.0 1.944 7.386 1138 1088 A 18 LEU HBx A 29 VAL HA 1.0 1.996 6.338 1139 1089 A 18 LEU HG A 29 VAL HA 1.0 1.928 7.590 1140 1090 A 29 VAL HGx% A 30 TYR HA 1.0 1.977 5.169 1141 1091 A 49 TRP HA A 67 PRO HA 1.0 1.981 6.809 1142 1092 A 18 LEU HDy% A 29 VAL HA 1.0 1.951 7.301 1143 1093 A 45 TRP HA A 45 TRP HH2 1.0 1.925 7.623 1144 1094 A 62 PHE HBy A 62 PHE HEy 1.0 1.953 7.273 1145 1094 A 62 PHE HBy A 62 PHE HEx 1.0 1.953 7.273 1146 1095 A 10 PHE HDy A 10 PHE HEx 1.0 1.936 7.500 1147 1095 A 10 PHE HDx A 10 PHE HEy 1.0 1.936 7.500 1148 1095 A 10 PHE HDx A 10 PHE HEx 1.0 1.936 7.500 1149 1095 A 10 PHE HDy A 10 PHE HEy 1.0 1.936 7.500 1150 1096 A 67 PRO HA A 10 PHE HEy 1.0 1.993 6.473 1151 1096 A 67 PRO HA A 10 PHE HEx 1.0 1.993 6.473 1152 1097 A 65 MET HA A 10 PHE HEy 1.0 1.840 8.422 1153 1097 A 65 MET HA A 10 PHE HEx 1.0 1.840 8.422 1154 1098 A 28 LYS HBy A 10 PHE HDy 1.0 1.863 8.233 1155 1098 A 28 LYS HBy A 10 PHE HDx 1.0 1.863 8.233 1156 1099 A 67 PRO HBy A 30 TYR HEy 1.0 1.987 5.359 1157 1099 A 67 PRO HBy A 30 TYR HEx 1.0 1.987 5.359 1158 1100 A 28 LYS HBx A 30 TYR HDy 1.0 1.816 8.608 1159 1100 A 28 LYS HBx A 30 TYR HDx 1.0 1.816 8.608 1160 1101 A 28 LYS HBx A 30 TYR HEy 1.0 1.775 8.905 1161 1101 A 28 LYS HBx A 30 TYR HEx 1.0 1.775 8.905 1162 1102 A 64 GLU HA A 10 PHE HEy 1.0 1.985 6.723 1163 1102 A 64 GLU HA A 10 PHE HEx 1.0 1.985 6.723 1164 1103 A 90 CYS HA A 80 PHE HDy 1.0 1.990 6.552 1165 1103 A 90 CYS HA A 80 PHE HDx 1.0 1.990 6.552 1166 1104 A 91 THR HA A 80 PHE HZ 1.0 1.982 5.260 1167 1105 A 28 LYS HDx A 49 TRP HE3 1.0 1.999 6.167 1168 1106 A 35 LEU HDy% A 45 TRP HH2 1.0 1.966 4.994 1169 1107 A 18 LEU HDy% A 8 GLU HA 1.0 1.967 5.007 1170 1108 A 41 PRO HBx A 45 TRP HE3 1.0 1.514 10.434 1171 1109 A 49 TRP HZ3 A 28 LYS HDy 1.0 1.704 9.372 1172 1110 A 28 LYS HDy A 49 TRP HE3 1.0 1.843 8.401 1173 1111 A 91 THR HG2% A 80 PHE HDx 1.0 1.879 4.151 1174 1111 A 91 THR HG2% A 80 PHE HDy 1.0 1.879 4.151 1175 1112 A 67 PRO HGy A 30 TYR HEy 1.0 1.904 4.342 1176 1112 A 67 PRO HGy A 30 TYR HEx 1.0 1.904 4.342 1177 1113 A 10 PHE HDy A 28 LYS HGx 1.0 1.959 7.185 1178 1113 A 10 PHE HDx A 28 LYS HGx 1.0 1.959 7.185 1179 1114 A 67 PRO HGx A 30 TYR HDy 1.0 1.985 6.699 1180 1114 A 67 PRO HGx A 30 TYR HDx 1.0 1.985 6.699 1181 1115 A 67 PRO HGy A 30 TYR HDy 1.0 2.000 5.898 1182 1115 A 67 PRO HGy A 30 TYR HDx 1.0 2.000 5.898 1183 1116 A 67 PRO HGx A 30 TYR HEy 1.0 1.998 5.790 1184 1116 A 67 PRO HGx A 30 TYR HEx 1.0 1.998 5.790 1185 1117 A 49 TRP HZ3 A 28 LYS HDx 1.0 1.993 5.519 1186 1118 A 28 LYS HGx A 28 LYS HDx 1.0 1.964 7.100 1187 1119 A 10 PHE HEy A 28 LYS HEx 1.0 1.985 6.723 1188 1119 A 10 PHE HEx A 28 LYS HEx 1.0 1.985 6.723 1189 1120 A 49 TRP HZ3 A 28 LYS HEx 1.0 1.742 9.128 1190 1121 A 49 TRP HH2 A 28 LYS HEx 1.0 1.896 7.930 1191 1122 A 10 PHE HDy A 28 LYS HDy 1.0 1.798 8.748 1192 1122 A 10 PHE HDx A 28 LYS HDy 1.0 1.798 8.748 1193 1123 A 71 CYS HBy A 70 PHE HA 1.0 1.810 8.656 1194 1124 A 91 THR HG2% A 80 PHE HZ 1.0 1.943 4.701 1195 1125 A 64 GLU HA A 49 TRP HH2 1.0 1.999 6.201 1196 1126 A 66 CYS HA A 10 PHE HZ 1.0 1.999 6.085 1197 1127 A 30 TYR HA A 18 LEU HG 1.0 1.987 6.651 1198 1128 A 28 LYS HEy A 10 PHE HEy 1.0 1.897 7.923 1199 1128 A 28 LYS HEy A 10 PHE HEx 1.0 1.897 7.923 1200 1129 A 49 TRP HD1 A 30 TYR HEy 1.0 1.957 7.215 1201 1129 A 49 TRP HD1 A 30 TYR HEx 1.0 1.957 7.215 1202 1130 A 92 GLU HBx A 92 GLU HGy 1.0 1.774 3.538 1203 1130 A 92 GLU HBx A 92 GLU HGx 1.0 1.774 3.538 1204 1131 A 89 SER HBx A 87 ARG HBy 1.0 1.950 6.000 1205 1131 A 89 SER HBx A 88 LEU HBy 1.0 1.950 6.000 1206 1132 A 82 SER HA A 82 SER HBy 1.0 1.592 2.798 1207 1132 A 82 SER HBx A 82 SER HA 1.0 1.592 2.798 1208 1133 A 79 LEU HBx A 79 LEU HA 1.0 1.760 3.470 1209 1133 A 79 LEU HA A 79 LEU HG 1.0 1.760 3.470 1210 1134 A 78 MET HBx A 78 MET HGy 1.0 1.839 3.891 1211 1134 A 78 MET HBx A 78 MET HGx 1.0 1.839 3.891 1212 1135 A 78 MET HBy A 78 MET HGx 1.0 1.784 3.590 1213 1135 A 78 MET HBy A 78 MET HGy 1.0 1.784 3.590 1214 1136 A 76 GLU HA A 76 GLU HGy 1.0 1.658 3.036 1215 1136 A 76 GLU HA A 76 GLU HGx 1.0 1.658 3.036 1216 1137 A 73 GLN HGy A 73 GLN HBx 1.0 1.792 3.628 1217 1137 A 73 GLN HBx A 73 GLN HGx 1.0 1.792 3.628 1218 1138 A 67 PRO HDx A 66 CYS HA 1.0 1.688 3.154 1219 1138 A 66 CYS HA A 66 CYS HBx 1.0 1.688 3.154 1220 1139 A 64 GLU HGy A 64 GLU HBx 1.0 1.788 3.610 1221 1139 A 64 GLU HGy A 64 GLU HBy 1.0 1.788 3.610 1222 1140 A 64 GLU HGx A 64 GLU HBx 1.0 1.820 3.780 1223 1140 A 64 GLU HGx A 64 GLU HBy 1.0 1.820 3.780 1224 1141 A 63 CYS HA A 63 CYS HBx 1.0 1.647 2.991 1225 1141 A 63 CYS HA A 63 CYS HBy 1.0 1.647 2.991 1226 1142 A 58 GLU HA A 58 GLU HGx 1.0 1.742 3.386 1227 1142 A 58 GLU HA A 58 GLU HGy 1.0 1.742 3.386 1228 1143 A 42 ALA HB% A 43 GLY HA2 1.0 1.972 5.090 1229 1143 A 42 ALA HB% A 43 GLY HA3 1.0 1.972 5.090 1230 1144 A 75 ARG HA A 75 ARG HBx 1.0 1.633 2.939 1231 1144 A 75 ARG HA A 75 ARG HBy 1.0 1.633 2.939 1232 1145 A 79 LEU HBx A 75 ARG HA 1.0 1.933 4.603 1233 1145 A 75 ARG HA A 75 ARG HGx 1.0 1.933 4.603 1234 1146 A 38 THR HG2% A 38 THR HB 1.0 1.431 2.303 1235 1146 A 38 THR HA A 38 THR HG2% 1.0 1.431 2.303 1236 1147 A 23 LYS HB2 A 24 PRO HD3 1.0 1.946 4.744 1237 1147 A 24 PRO HD2 A 23 LYS HB2 1.0 1.946 4.744 1238 1148 A 19 VAL HB A 19 VAL HGx% 1.0 1.503 2.511 1239 1148 A 19 VAL HB A 19 VAL HGy% 1.0 1.503 2.511 1240 1149 A 17 GLN HA A 17 GLN HGx 1.0 1.701 3.205 1241 1149 A 17 GLN HA A 17 GLN HGy 1.0 1.701 3.205 1242 1150 A 17 GLN HA A 17 GLN HBy 1.0 1.555 2.669 1243 1150 A 17 GLN HA A 17 GLN HBx 1.0 1.555 2.669 1244 1151 A 17 GLN HGx A 17 GLN HBy 1.0 1.527 2.583 1245 1151 A 17 GLN HGx A 17 GLN HBx 1.0 1.527 2.583 1246 1151 A 17 GLN HGy A 17 GLN HBx 1.0 1.527 2.583 1247 1152 A 14 ASP HBx A 14 ASP HA 1.0 1.707 3.233 1248 1152 A 14 ASP HA A 14 ASP HBy 1.0 1.707 3.233 1249 1153 A 13 GLY HAx A 13 GLY HAy 1.0 1.434 2.312 1250 1153 A 56 GLY HAx A 56 GLY HAy 1.0 1.434 2.312 1251 1154 A 8 GLU HA A 8 GLU HGy 1.0 1.739 3.373 1252 1154 A 8 GLU HA A 8 GLU HGx 1.0 1.739 3.373 1253 1155 A 8 GLU HBy A 8 GLU HGx 1.0 1.661 3.043 1254 1155 A 8 GLU HBy A 8 GLU HGy 1.0 1.661 3.043 1255 1156 A 8 GLU HBx A 8 GLU HGy 1.0 1.716 3.270 1256 1156 A 8 GLU HBx A 8 GLU HGx 1.0 1.716 3.270 1257 1157 A 7 ASP HA A 7 ASP HB3 1.0 1.632 2.936 1258 1157 A 7 ASP HA A 7 ASP HB2 1.0 1.632 2.936 1259 1158 A 4 GLU HA A 4 GLU HGy 1.0 1.668 3.074 1260 1158 A 4 GLU HA A 4 GLU HGx 1.0 1.668 3.074 1261 1159 A 4 GLU HBy A 4 GLU HGx 1.0 1.489 2.469 1262 1159 A 4 GLU HBy A 4 GLU HGy 1.0 1.489 2.469 1263 1160 A 4 GLU HBx A 4 GLU HGy 1.0 1.552 2.662 1264 1160 A 4 GLU HBx A 4 GLU HGx 1.0 1.552 2.662 1265 1161 A 3 MET HA A 3 MET HBy 1.0 1.579 2.753 1266 1161 A 3 MET HA A 3 MET HBx 1.0 1.579 2.753 1267 1162 A 3 MET HA A 3 MET HBy 1.0 1.704 3.218 1268 1162 A 57 LYS HA A 57 LYS HBy 1.0 1.704 3.218 1269 1163 A 84 LEU HBy A 84 LEU HDx% 1.0 1.652 3.012 1270 1163 A 84 LEU HBy A 84 LEU HDy% 1.0 1.652 3.012 1271 1164 A 81 ILE HG2% A 81 ILE HA 1.0 1.529 2.587 1272 1164 A 81 ILE HA A 81 ILE HD1% 1.0 1.529 2.587 1273 1165 A 81 ILE HG1y A 81 ILE HD1% 1.0 1.491 2.475 1274 1165 A 81 ILE HG2% A 81 ILE HG1y 1.0 1.491 2.475 1275 1166 A 87 ARG HDx A 87 ARG HGy 1.0 1.607 2.847 1276 1166 A 87 ARG HDx A 87 ARG HGx 1.0 1.607 2.847 1277 1167 A 83 LYS HA A 83 LYS HGx 1.0 1.666 3.064 1278 1167 A 83 LYS HA A 83 LYS HGy 1.0 1.666 3.064 1279 1168 A 83 LYS HGx A 83 LYS HE3 1.0 1.821 3.783 1280 1168 A 83 LYS HGy A 83 LYS HE2 1.0 1.821 3.783 1281 1168 A 83 LYS HGx A 83 LYS HE2 1.0 1.821 3.783 1282 1169 A 83 LYS HA A 83 LYS HD2 1.0 1.996 5.646 1283 1169 A 83 LYS HA A 83 LYS HD3 1.0 1.996 5.646 1284 1170 A 75 ARG HBy A 75 ARG HDy 1.0 1.642 2.972 1285 1170 A 75 ARG HDy A 75 ARG HBx 1.0 1.642 2.972 1286 1171 A 72 LYS HA A 72 LYS HB2 1.0 1.543 2.635 1287 1171 A 72 LYS HA A 72 LYS HB3 1.0 1.543 2.635 1288 1172 A 72 LYS HB2 A 72 LYS HE3 1.0 2.000 6.138 1289 1172 A 72 LYS HB3 A 72 LYS HE2 1.0 2.000 6.138 1290 1172 A 72 LYS HB3 A 72 LYS HE3 1.0 2.000 6.138 1291 1172 A 72 LYS HB2 A 72 LYS HE2 1.0 2.000 6.138 1292 1173 A 72 LYS HGx A 72 LYS HB2 1.0 1.699 3.195 1293 1173 A 72 LYS HGx A 72 LYS HB3 1.0 1.699 3.195 1294 1174 A 72 LYS HGy A 72 LYS HB3 1.0 1.575 2.739 1295 1174 A 72 LYS HGy A 72 LYS HB2 1.0 1.575 2.739 1296 1175 A 72 LYS HA A 72 LYS HD2 1.0 1.999 5.811 1297 1175 A 72 LYS HA A 72 LYS HD3 1.0 1.999 5.811 1298 1176 A 72 LYS HGy A 72 LYS HE2 1.0 1.590 2.790 1299 1176 A 72 LYS HGy A 72 LYS HE3 1.0 1.590 2.790 1300 1177 A 72 LYS HGx A 72 LYS HE2 1.0 1.645 2.985 1301 1177 A 72 LYS HGx A 72 LYS HE3 1.0 1.645 2.985 1302 1178 A 72 LYS HE3 A 72 LYS HD3 1.0 1.442 2.332 1303 1178 A 72 LYS HE3 A 72 LYS HD2 1.0 1.442 2.332 1304 1178 A 72 LYS HE2 A 72 LYS HD3 1.0 1.442 2.332 1305 1179 A 72 LYS HA A 72 LYS HE3 1.0 2.000 6.044 1306 1179 A 72 LYS HA A 72 LYS HE2 1.0 2.000 6.044 1307 1180 A 29 VAL HGx% A 7 ASP HB2 1.0 1.997 5.729 1308 1180 A 29 VAL HGx% A 7 ASP HB3 1.0 1.997 5.729 1309 1181 A 57 LYS HBy A 57 LYS HE2 1.0 1.997 5.693 1310 1181 A 57 LYS HBy A 57 LYS HE3 1.0 1.997 5.693 1311 1182 A 57 LYS HE2 A 57 LYS HD2 1.0 1.607 2.847 1312 1182 A 57 LYS HE3 A 57 LYS HD2 1.0 1.607 2.847 1313 1182 A 57 LYS HE3 A 57 LYS HD3 1.0 1.607 2.847 1314 1182 A 57 LYS HE2 A 57 LYS HD3 1.0 1.607 2.847 1315 1183 A 57 LYS HA A 57 LYS HD2 1.0 1.990 5.458 1316 1183 A 57 LYS HA A 57 LYS HD3 1.0 1.990 5.458 1317 1184 A 44 LYS HBy A 44 LYS HA 1.0 1.636 2.952 1318 1184 A 5 ARG HA A 5 ARG HBy 1.0 1.636 2.952 1319 1184 A 5 ARG HA A 5 ARG HBx 1.0 1.636 2.952 1320 1185 A 5 ARG HBx A 5 ARG HD3 1.0 1.694 3.178 1321 1185 A 5 ARG HBy A 5 ARG HD2 1.0 1.694 3.178 1322 1185 A 5 ARG HBy A 5 ARG HD3 1.0 1.694 3.178 1323 1186 A 44 LYS HGx A 44 LYS HE3 1.0 1.944 4.716 1324 1186 A 44 LYS HGx A 44 LYS HE2 1.0 1.944 4.716 1325 1187 A 39 LYS HA A 39 LYS HGy 1.0 1.764 3.490 1326 1187 A 39 LYS HA A 39 LYS HGx 1.0 1.764 3.490 1327 1188 A 39 LYS HBx A 39 LYS HGy 1.0 1.768 3.510 1328 1188 A 39 LYS HBx A 39 LYS HGx 1.0 1.768 3.510 1329 1189 A 39 LYS HBy A 39 LYS HGy 1.0 1.726 3.314 1330 1189 A 39 LYS HBy A 39 LYS HGx 1.0 1.726 3.314 1331 1190 A 37 LEU HA A 37 LEU HB3 1.0 1.640 2.966 1332 1190 A 37 LEU HA A 37 LEU HB2 1.0 1.640 2.966 1333 1191 A 37 LEU HDx% A 37 LEU HDy% 1.0 1.368 2.134 1334 1191 A 37 LEU HDx% A 19 VAL HGx% 1.0 1.368 2.134 1335 1192 A 37 LEU HDx% A 37 LEU HG 1.0 1.455 2.367 1336 1192 A 37 LEU HDx% A 37 LEU HB3 1.0 1.455 2.367 1337 1192 A 37 LEU HB2 A 37 LEU HDx% 1.0 1.455 2.367 1338 1193 A 37 LEU HDy% A 37 LEU HG 1.0 1.412 2.250 1339 1193 A 37 LEU HB2 A 37 LEU HDy% 1.0 1.412 2.250 1340 1194 A 34 CYS HA A 34 CYS HBx 1.0 1.741 3.379 1341 1194 A 34 CYS HBy A 34 CYS HA 1.0 1.741 3.379 1342 1195 A 5 ARG HA A 5 ARG HGx 1.0 1.784 3.586 1343 1195 A 5 ARG HA A 5 ARG HGy 1.0 1.784 3.586 1344 1196 A 5 ARG HA A 5 ARG HD3 1.0 1.965 4.975 1345 1196 A 5 ARG HA A 5 ARG HD2 1.0 1.965 4.975 1346 1197 A 48 PRO HDx A 48 PRO HGx 1.0 1.863 4.043 1347 1197 A 48 PRO HGy A 48 PRO HDx 1.0 1.863 4.043 1348 1198 A 24 PRO HGy A 24 PRO HD3 1.0 1.825 3.811 1349 1198 A 24 PRO HGy A 24 PRO HD2 1.0 1.825 3.811 1350 1199 A 24 PRO HGx A 24 PRO HD3 1.0 1.798 3.660 1351 1199 A 24 PRO HGx A 24 PRO HD2 1.0 1.798 3.660 1352 1200 A 4 GLU HA A 4 GLU HGy 1.0 1.810 3.720 1353 1200 A 92 GLU HA A 92 GLU HGy 1.0 1.810 3.720 1354 1200 A 4 GLU HA A 4 GLU HGx 1.0 1.810 3.720 1355 1201 A 74 HIS HBx A 70 PHE HBy 1.0 1.928 4.550 1356 1201 A 70 PHE HBy A 75 ARG HA 1.0 1.928 4.550 1357 1202 A 8 GLU HGx A 13 GLY HAy 1.0 1.996 6.364 1358 1202 A 8 GLU HGy A 13 GLY HAy 1.0 1.996 6.364 1359 1203 A 23 LYS HA A 24 PRO HD3 1.0 1.722 3.294 1360 1203 A 23 LYS HA A 24 PRO HD2 1.0 1.722 3.294 1361 1204 A 23 LYS HA A 23 LYS HB3 1.0 1.809 3.715 1362 1204 A 23 LYS HA A 23 LYS HB2 1.0 1.809 3.715 1363 1205 A 23 LYS HA A 23 LYS HGx 1.0 1.936 4.638 1364 1205 A 23 LYS HDx A 23 LYS HA 1.0 1.936 4.638 1365 1206 A 23 LYS HDx A 23 LYS HEx 1.0 1.833 3.855 1366 1206 A 23 LYS HDx A 23 LYS HEy 1.0 1.833 3.855 1367 1207 A 89 SER HBy A 87 ARG HBy 1.0 1.892 6.000 1368 1207 A 89 SER HBy A 88 LEU HBy 1.0 1.892 6.000 1369 1208 A 61 SER HBx A 75 ARG HBx 1.0 1.997 6.293 1370 1208 A 61 SER HBx A 75 ARG HBy 1.0 1.997 6.293 1371 1209 A 78 MET HA A 78 MET HGx 1.0 1.973 5.097 1372 1209 A 78 MET HA A 78 MET HGy 1.0 1.973 5.097 1373 1210 A 77 GLY HAy A 76 GLU HGx 1.0 1.995 6.377 1374 1210 A 75 ARG HA A 76 GLU HGy 1.0 1.995 6.377 1375 1210 A 75 ARG HA A 76 GLU HGx 1.0 1.995 6.377 1376 1211 A 20 SER HBx A 5 ARG HBy 1.0 1.999 6.099 1377 1211 A 20 SER HBx A 5 ARG HBx 1.0 1.999 6.099 1378 1212 A 68 SER HBy A 63 CYS HBy 1.0 1.992 5.500 1379 1212 A 63 CYS HBx A 68 SER HBy 1.0 1.992 5.500 1380 1213 A 63 CYS HBx A 68 SER HBx 1.0 1.870 4.088 1381 1213 A 68 SER HBx A 63 CYS HBy 1.0 1.870 4.088 1382 1214 A 64 GLU HA A 64 GLU HBy 1.0 1.917 4.451 1383 1214 A 64 GLU HA A 64 GLU HBx 1.0 1.917 4.451 1384 1215 A 61 SER HBx A 63 CYS HA 1.0 1.985 5.333 1385 1215 A 63 CYS HA A 68 SER HBx 1.0 1.985 5.333 1386 1216 A 61 SER HBy A 75 ARG HBy 1.0 1.974 5.112 1387 1216 A 61 SER HBy A 75 ARG HBx 1.0 1.974 5.112 1388 1217 A 61 SER HBy A 75 ARG HGx 1.0 1.993 6.497 1389 1217 A 61 SER HBy A 79 LEU HBx 1.0 1.993 6.497 1390 1218 A 60 ALA HA A 62 PHE HEx 1.0 1.927 4.547 1391 1218 A 60 ALA HA A 62 PHE HZ 1.0 1.927 4.547 1392 1218 A 60 ALA HA A 62 PHE HEy 1.0 1.927 4.547 1393 1219 A 71 CYS HBy A 59 ALA HB% 1.0 1.997 5.703 1394 1219 A 59 ALA HB% A 52 CYS HBy 1.0 1.997 5.703 1395 1220 A 59 ALA HB% A 58 GLU HGy 1.0 1.971 5.067 1396 1220 A 59 ALA HB% A 58 GLU HGx 1.0 1.971 5.067 1397 1221 A 54 VAL HGy% A 53 ASP HBy 1.0 1.994 5.588 1398 1221 A 54 VAL HGy% A 52 CYS HBy 1.0 1.994 5.588 1399 1221 A 55 CYS HBx A 54 VAL HGy% 1.0 1.994 5.588 1400 1222 A 23 LYS HEx A 23 LYS HGy 1.0 1.736 3.358 1401 1222 A 23 LYS HEy A 23 LYS HGy 1.0 1.736 3.358 1402 1223 A 23 LYS HGx A 23 LYS HEx 1.0 1.602 2.830 1403 1223 A 23 LYS HDx A 23 LYS HEx 1.0 1.602 2.830 1404 1223 A 23 LYS HDx A 23 LYS HEy 1.0 1.602 2.830 1405 1224 A 23 LYS HDy A 23 LYS HEy 1.0 1.673 3.095 1406 1224 A 23 LYS HDy A 23 LYS HEx 1.0 1.673 3.095 1407 1225 A 51 GLN HBx A 51 GLN HA 1.0 1.660 3.044 1408 1225 A 51 GLN HA A 51 GLN HBy 1.0 1.660 3.044 1409 1226 A 44 LYS HBy A 43 GLY HA2 1.0 1.930 7.576 1410 1226 A 44 LYS HBy A 43 GLY HA3 1.0 1.930 7.576 1411 1227 A 43 GLY HA3 A 44 LYS HDy 1.0 1.985 6.699 1412 1227 A 43 GLY HA3 A 44 LYS HDx 1.0 1.985 6.699 1413 1227 A 43 GLY HA2 A 44 LYS HDy 1.0 1.985 6.699 1414 1227 A 43 GLY HA2 A 44 LYS HDx 1.0 1.985 6.699 1415 1228 A 72 LYS HGx A 72 LYS HD2 1.0 1.595 2.803 1416 1228 A 72 LYS HGx A 72 LYS HD3 1.0 1.595 2.803 1417 1229 A 40 ARG HGy A 40 ARG HD2 1.0 1.637 2.955 1418 1229 A 40 ARG HGy A 40 ARG HD3 1.0 1.637 2.955 1419 1230 A 40 ARG HD3 A 40 ARG HGx 1.0 1.701 3.207 1420 1230 A 40 ARG HD2 A 40 ARG HGx 1.0 1.701 3.207 1421 1231 A 20 SER HBx A 5 ARG HD2 1.0 1.848 3.948 1422 1231 A 20 SER HBx A 5 ARG HD3 1.0 1.848 3.948 1423 1232 A 20 SER HBy A 5 ARG HD2 1.0 1.859 4.019 1424 1232 A 20 SER HBy A 5 ARG HD3 1.0 1.859 4.019 1425 1233 A 37 LEU HDx% A 37 LEU HB3 1.0 1.672 3.090 1426 1233 A 37 LEU HB2 A 37 LEU HDx% 1.0 1.672 3.090 1427 1234 A 37 LEU HDx% A 35 LEU HBx 1.0 1.881 4.173 1428 1234 A 35 LEU HDy% A 35 LEU HBx 1.0 1.881 4.173 1429 1235 A 8 GLU HA A 8 GLU HBy 1.0 1.798 3.664 1430 1235 A 41 PRO HA A 41 PRO HBy 1.0 1.798 3.664 1431 1236 A 15 ALA HB% A 7 ASP HB2 1.0 1.909 4.387 1432 1236 A 15 ALA HB% A 7 ASP HB3 1.0 1.909 4.387 1433 1237 A 83 LYS HE3 A 83 LYS HD2 1.0 1.468 2.408 1434 1237 A 83 LYS HE2 A 83 LYS HD2 1.0 1.468 2.408 1435 1237 A 83 LYS HE2 A 83 LYS HD3 1.0 1.468 2.408 1436 1237 A 83 LYS HE3 A 83 LYS HD3 1.0 1.468 2.408 1437 1238 A 83 LYS HA A 83 LYS HE2 1.0 1.990 6.588 1438 1238 A 83 LYS HA A 83 LYS HE3 1.0 1.990 6.588 1439 1239 A 39 LYS HGy A 39 LYS HE2 1.0 1.843 3.913 1440 1239 A 39 LYS HGx A 39 LYS HE3 1.0 1.843 3.913 1441 1239 A 39 LYS HGx A 39 LYS HE2 1.0 1.843 3.913 1442 1240 A 23 LYS HDy A 23 LYS HB2 1.0 1.886 4.202 1443 1240 A 23 LYS HDy A 23 LYS HB3 1.0 1.886 4.202 1444 1241 A 23 LYS HDx A 23 LYS HB2 1.0 1.791 3.621 1445 1241 A 23 LYS HDx A 23 LYS HB3 1.0 1.791 3.621 1446 1242 A 40 ARG HA A 40 ARG HD3 1.0 1.997 6.269 1447 1242 A 40 ARG HA A 40 ARG HD2 1.0 1.997 6.269 1448 1243 A 19 VAL HGy% A 45 TRP HH2 1.0 1.941 4.681 1449 1243 A 19 VAL HGx% A 45 TRP HH2 1.0 1.941 4.681 1450 1244 A 91 THR HG2% A 93 HIS HD2 1.0 1.984 6.748 1451 1244 A 92 GLU HBx A 93 HIS HD2 1.0 1.984 6.748 1452 1245 A 45 TRP HBy A 46 GLU H 1.0 1.999 5.891 1453 1245 A 46 GLU H A 45 TRP HBx 1.0 1.999 5.891 1454 1246 A 46 GLU H A 44 LYS HBy 1.0 1.904 6.000 1455 1246 A 46 GLU H A 44 LYS HDy 1.0 1.904 6.000 1456 1247 A 51 GLN HBx A 51 GLN HE22 1.0 2.000 5.920 1457 1247 A 51 GLN HE22 A 51 GLN HBy 1.0 2.000 5.920 1458 1248 A 51 GLN HBx A 51 GLN HE21 1.0 1.992 5.508 1459 1248 A 51 GLN HE21 A 51 GLN HBy 1.0 1.992 5.508 1460 1249 A 49 TRP HZ2 A 49 TRP HE1 1.0 1.859 4.019 1461 1249 A 49 TRP HD1 A 49 TRP HE1 1.0 1.859 4.019 1462 1250 A 69 SER HBx A 49 TRP HE1 1.0 1.994 6.422 1463 1250 A 63 CYS HA A 49 TRP HE1 1.0 1.994 6.422 1464 1251 A 23 LYS H A 24 PRO HD3 1.0 1.972 6.974 1465 1251 A 23 LYS H A 24 PRO HD2 1.0 1.972 6.974 1466 1252 A 47 CYS H A 48 PRO HDx 1.0 1.999 5.855 1467 1252 A 21 CYS HBy A 47 CYS H 1.0 1.999 5.855 1468 1253 A 23 LYS H A 23 LYS HB3 1.0 1.795 3.647 1469 1253 A 23 LYS H A 23 LYS HB2 1.0 1.795 3.647 1470 1254 A 92 GLU HGy A 92 GLU H 1.0 1.775 3.539 1471 1254 A 92 GLU HGx A 92 GLU H 1.0 1.775 3.539 1472 1255 A 89 SER HBy A 89 SER H 1.0 1.866 4.064 1473 1255 A 89 SER HBx A 89 SER H 1.0 1.866 4.064 1474 1256 A 88 LEU HG A 88 LEU H 1.0 1.600 2.820 1475 1256 A 88 LEU HBx A 88 LEU H 1.0 1.600 2.820 1476 1257 A 87 ARG HBx A 87 ARG H 1.0 1.687 3.151 1477 1257 A 87 ARG HGy A 87 ARG H 1.0 1.687 3.151 1478 1258 A 81 ILE HG2% A 87 ARG H 1.0 1.978 5.180 1479 1258 A 81 ILE HD1% A 87 ARG H 1.0 1.978 5.180 1480 1259 A 87 ARG HGy A 86 GLY H 1.0 2.000 5.910 1481 1259 A 84 LEU HBy A 86 GLY H 1.0 2.000 5.910 1482 1260 A 84 LEU HDx% A 84 LEU H 1.0 1.956 4.852 1483 1260 A 84 LEU HDy% A 84 LEU H 1.0 1.956 4.852 1484 1261 A 83 LYS HBx A 84 LEU H 1.0 1.862 4.034 1485 1261 A 84 LEU H A 83 LYS HBy 1.0 1.862 4.034 1486 1262 A 84 LEU HA A 84 LEU H 1.0 1.692 3.170 1487 1262 A 83 LYS HA A 84 LEU H 1.0 1.692 3.170 1488 1263 A 88 LEU HG A 82 SER H 1.0 1.996 5.634 1489 1263 A 88 LEU HG A 64 GLU H 1.0 1.996 5.634 1490 1264 A 81 ILE HD1% A 81 ILE H 1.0 1.955 4.851 1491 1264 A 81 ILE HG2% A 81 ILE H 1.0 1.955 4.851 1492 1265 A 78 MET HGy A 79 LEU H 1.0 1.959 7.177 1493 1265 A 78 MET HGx A 79 LEU H 1.0 1.959 7.177 1494 1266 A 33 ASP HBy A 33 ASP H 1.0 1.714 3.260 1495 1266 A 33 ASP HBx A 33 ASP H 1.0 1.714 3.260 1496 1267 A 76 GLU H A 76 GLU HGx 1.0 1.883 4.187 1497 1267 A 76 GLU H A 76 GLU HGy 1.0 1.883 4.187 1498 1268 A 70 PHE HBx A 75 ARG H 1.0 1.993 5.537 1499 1268 A 75 ARG HDx A 75 ARG H 1.0 1.993 5.537 1500 1269 A 75 ARG H A 76 GLU HGx 1.0 1.994 6.428 1501 1269 A 75 ARG H A 76 GLU HGy 1.0 1.994 6.428 1502 1270 A 75 ARG HBy A 75 ARG H 1.0 1.563 2.697 1503 1270 A 75 ARG HGy A 75 ARG H 1.0 1.563 2.697 1504 1271 A 71 CYS HBy A 71 CYS H 1.0 1.932 4.594 1505 1271 A 52 CYS HBy A 71 CYS H 1.0 1.932 4.594 1506 1272 A 75 ARG HBy A 70 PHE H 1.0 1.999 5.799 1507 1272 A 75 ARG HBx A 70 PHE H 1.0 1.999 5.799 1508 1273 A 66 CYS HA A 68 SER H 1.0 1.951 4.793 1509 1273 A 67 PRO HDy A 68 SER H 1.0 1.951 4.793 1510 1274 A 67 PRO HDx A 68 SER H 1.0 1.946 4.740 1511 1274 A 66 CYS HBx A 68 SER H 1.0 1.946 4.740 1512 1275 A 63 CYS HBx A 63 CYS H 1.0 1.810 3.720 1513 1275 A 63 CYS H A 63 CYS HBy 1.0 1.810 3.720 1514 1276 A 63 CYS H A 62 PHE H 1.0 1.995 6.415 1515 1276 A 63 CYS H A 70 PHE H 1.0 1.995 6.415 1516 1277 A 61 SER HBy A 62 PHE H 1.0 1.996 5.648 1517 1277 A 62 PHE HBy A 62 PHE H 1.0 1.996 5.648 1518 1278 A 75 ARG HBy A 61 SER H 1.0 1.998 5.790 1519 1278 A 75 ARG HBx A 61 SER H 1.0 1.998 5.790 1520 1279 A 59 ALA H A 58 GLU HGy 1.0 1.935 4.625 1521 1279 A 59 ALA H A 58 GLU HGx 1.0 1.935 4.625 1522 1280 A 51 GLN HBx A 56 GLY H 1.0 2.000 6.010 1523 1280 A 56 GLY H A 51 GLN HBy 1.0 2.000 6.010 1524 1281 A 52 CYS HBy A 55 CYS H 1.0 1.814 3.746 1525 1281 A 55 CYS HBx A 55 CYS H 1.0 1.814 3.746 1526 1282 A 45 TRP H A 43 GLY HA3 1.0 1.992 6.486 1527 1282 A 45 TRP H A 43 GLY HA2 1.0 1.992 6.486 1528 1283 A 43 GLY H A 43 GLY HA3 1.0 1.780 3.568 1529 1283 A 43 GLY H A 43 GLY HA2 1.0 1.780 3.568 1530 1284 A 39 LYS H A 39 LYS HGx 1.0 1.892 4.244 1531 1284 A 39 LYS H A 39 LYS HGy 1.0 1.892 4.244 1532 1285 A 37 LEU HB3 A 38 THR H 1.0 1.999 5.825 1533 1285 A 37 LEU HB2 A 38 THR H 1.0 1.999 5.825 1534 1286 A 37 LEU HDx% A 37 LEU H 1.0 1.998 5.718 1535 1286 A 35 LEU HDx% A 37 LEU H 1.0 1.998 5.718 1536 1287 A 35 LEU HBy A 36 ASN H 1.0 1.955 4.849 1537 1287 A 37 LEU HB3 A 36 ASN H 1.0 1.955 4.849 1538 1287 A 37 LEU HG A 36 ASN H 1.0 1.955 4.849 1539 1288 A 34 CYS HBy A 34 CYS H 1.0 1.748 3.414 1540 1288 A 34 CYS HBx A 34 CYS H 1.0 1.748 3.414 1541 1289 A 33 ASP HBy A 34 CYS H 1.0 1.914 4.428 1542 1289 A 33 ASP HBx A 34 CYS H 1.0 1.914 4.428 1543 1290 A 25 GLY HAx A 25 GLY H 1.0 1.679 3.117 1544 1290 A 24 PRO HA A 25 GLY H 1.0 1.679 3.117 1545 1291 A 31 HIS HD2 A 32 ALA H 1.0 1.996 6.354 1546 1291 A 32 ALA H A 34 CYS H 1.0 1.996 6.354 1547 1292 A 31 HIS H A 34 CYS H 1.0 1.998 5.710 1548 1292 A 31 HIS HE1 A 31 HIS H 1.0 1.998 5.710 1549 1293 A 34 CYS HBx A 31 HIS H 1.0 1.877 6.000 1550 1293 A 12 CYS HBy A 31 HIS H 1.0 1.877 6.000 1551 1294 A 28 LYS HBy A 28 LYS H 1.0 1.932 4.592 1552 1294 A 28 LYS HDx A 28 LYS H 1.0 1.932 4.592 1553 1295 A 25 GLY HAx A 26 CYS H 1.0 1.853 3.975 1554 1295 A 24 PRO HA A 26 CYS H 1.0 1.853 3.975 1555 1296 A 20 SER HBy A 20 SER H 1.0 1.766 3.496 1556 1296 A 20 SER HBx A 20 SER H 1.0 1.766 3.496 1557 1297 A 5 ARG HD2 A 20 SER H 1.0 1.993 6.459 1558 1297 A 5 ARG HD3 A 20 SER H 1.0 1.993 6.459 1559 1298 A 5 ARG HGy A 20 SER H 1.0 1.952 7.284 1560 1298 A 5 ARG HBx A 20 SER H 1.0 1.952 7.284 1561 1298 A 5 ARG HGx A 20 SER H 1.0 1.952 7.284 1562 1299 A 29 VAL HGy% A 20 SER H 1.0 1.804 3.690 1563 1299 A 19 VAL HGy% A 20 SER H 1.0 1.804 3.690 1564 1300 A 17 GLN HBx A 18 LEU H 1.0 2.000 5.946 1565 1300 A 17 GLN HBy A 18 LEU H 1.0 2.000 5.946 1566 1301 A 17 GLN HGy A 17 GLN H 1.0 1.999 6.117 1567 1301 A 17 GLN HGx A 17 GLN H 1.0 1.999 6.117 1568 1302 A 17 GLN H A 17 GLN HBx 1.0 1.709 3.243 1569 1302 A 17 GLN H A 17 GLN HBy 1.0 1.709 3.243 1570 1303 A 16 GLY HAx A 16 GLY H 1.0 1.666 3.064 1571 1303 A 15 ALA HA A 16 GLY H 1.0 1.666 3.064 1572 1304 A 8 GLU HGx A 16 GLY H 1.0 1.902 7.864 1573 1304 A 8 GLU HGy A 16 GLY H 1.0 1.902 7.864 1574 1305 A 11 SER HBx A 12 CYS H 1.0 1.790 3.616 1575 1305 A 11 SER HBy A 12 CYS H 1.0 1.790 3.616 1576 1306 A 10 PHE HDx A 10 PHE H 1.0 1.987 6.657 1577 1306 A 10 PHE HDy A 10 PHE H 1.0 1.987 6.657 1578 1306 A 30 TYR HDy A 10 PHE H 1.0 1.987 6.657 1579 1306 A 30 TYR HDx A 10 PHE H 1.0 1.987 6.657 1580 1307 A 8 GLU H A 7 ASP HB3 1.0 1.978 5.188 1581 1307 A 8 GLU H A 7 ASP HB2 1.0 1.978 5.188 1582 1308 A 8 GLU HGy A 8 GLU H 1.0 1.935 4.629 1583 1308 A 8 GLU HGx A 8 GLU H 1.0 1.935 4.629 1584 1309 A 7 ASP H A 7 ASP HB2 1.0 1.784 3.588 1585 1309 A 7 ASP H A 7 ASP HB3 1.0 1.784 3.588 1586 1310 A 5 ARG HA A 5 ARG H 1.0 1.587 2.777 1587 1310 A 4 GLU HA A 5 ARG H 1.0 1.587 2.777 1588 1311 A 5 ARG H A 5 ARG HD3 1.0 1.888 7.998 1589 1311 A 5 ARG H A 5 ARG HD2 1.0 1.888 7.998 1590 1312 A 2 ALA HA A 3 MET H 1.0 1.771 3.523 1591 1312 A 3 MET HA A 3 MET H 1.0 1.771 3.523 1592 1313 A 3 MET HGy A 3 MET H 1.0 1.965 7.095 1593 1313 A 3 MET HGx A 3 MET H 1.0 1.965 7.095 1594 1314 A 31 HIS HD2 A 31 HIS HE2 1.0 1.879 4.151 1595 1314 A 31 HIS HE1 A 31 HIS HE2 1.0 1.879 4.151 1596 1315 A 79 LEU HDy% A 79 LEU H 1.0 1.983 5.273 1597 1315 A 79 LEU HDx% A 79 LEU H 1.0 1.983 5.273 1598 1316 A 31 HIS HD2 A 17 GLN HBy 1.0 1.897 4.281 1599 1316 A 9 CYS HBx A 31 HIS HD2 1.0 1.897 4.281 1600 1317 A 93 HIS HBy A 93 HIS HE1 1.0 1.967 7.059 1601 1317 A 66 CYS HA A 93 HIS HE1 1.0 1.967 7.059 1602 1318 A 50 HIS HE1 A 23 LYS HB3 1.0 1.990 5.432 1603 1318 A 50 HIS HE1 A 23 LYS HB2 1.0 1.990 5.432 1604 1319 A 62 PHE HBx A 62 PHE HEx 1.0 1.998 5.760 1605 1319 A 62 PHE HBx A 62 PHE HEy 1.0 1.998 5.760 1606 1319 A 10 PHE HBy A 30 TYR HEy 1.0 1.998 5.760 1607 1319 A 10 PHE HBy A 30 TYR HEx 1.0 1.998 5.760 1608 1320 A 19 VAL HGy% A 45 TRP HZ2 1.0 1.967 4.995 1609 1320 A 19 VAL HGx% A 45 TRP HZ2 1.0 1.967 4.995 1610 1321 A 60 ALA HB% A 62 PHE HEx 1.0 1.960 7.166 1611 1321 A 60 ALA HB% A 62 PHE HEy 1.0 1.960 7.166 1612 1321 A 60 ALA HB% A 62 PHE HZ 1.0 1.960 7.166 1613 1322 A 21 CYS HBy A 45 TRP HH2 1.0 1.999 6.147 1614 1322 A 45 TRP HH2 A 48 PRO HDx 1.0 1.999 6.147 1615 1323 A 50 HIS HE1 A 21 CYS HBy 1.0 1.951 7.305 1616 1323 A 50 HIS HE1 A 49 TRP HBy 1.0 1.951 7.305 1617 1324 A 50 HIS HD2 A 23 LYS HGy 1.0 2.000 6.140 1618 1324 A 50 HIS HD2 A 23 LYS HB3 1.0 2.000 6.140 1619 1324 A 50 HIS HD2 A 23 LYS HB2 1.0 2.000 6.140 1620 1325 A 50 HIS HD2 A 23 LYS HGx 1.0 1.975 6.909 1621 1325 A 50 HIS HD2 A 23 LYS HDx 1.0 1.975 6.909 1622 1326 A 73 GLN HGy A 74 HIS HE1 1.0 1.899 7.897 1623 1326 A 73 GLN HGx A 74 HIS HE1 1.0 1.899 7.897 1624 1327 A 74 HIS HD2 A 78 MET HGx 1.0 1.988 6.622 1625 1327 A 74 HIS HD2 A 78 MET HGy 1.0 1.988 6.622 1626 1327 A 76 GLU HBx A 74 HIS HD2 1.0 1.988 6.622 1627 1328 A 92 GLU HGx A 93 HIS HE1 1.0 1.921 7.671 1628 1328 A 65 MET HGy A 93 HIS HE1 1.0 1.921 7.671 1629 1329 A 20 SER HA A 19 VAL HGy% 1.0 1.916 4.446 1630 1329 A 20 SER HA A 19 VAL HGx% 1.0 1.916 4.446 1631 1330 A 45 TRP HE3 A 47 CYS HA 1.0 2.000 5.968 1632 1330 A 45 TRP HE3 A 46 GLU HA 1.0 2.000 5.968 1633 1331 A 59 ALA HA A 58 GLU HGx 1.0 1.989 6.593 1634 1331 A 59 ALA HA A 58 GLU HGy 1.0 1.989 6.593 1635 1332 A 10 PHE HZ A 64 GLU HBy 1.0 1.997 5.707 1636 1332 A 64 GLU HBx A 10 PHE HZ 1.0 1.997 5.707 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 53 ASP H A 69 SER O 1.0 1.73 2.7 2 2 A 63 CYS H A 68 SER O 1.0 1.73 2.7 3 3 A 66 CYS H A 63 CYS O 1.0 1.73 2.7 4 4 A 52 CYS H A 57 LYS O 1.0 1.73 2.7 5 5 A 19 VAL H A 30 TYR O 1.0 1.73 2.7 6 6 A 30 TYR H A 19 VAL O 1.0 1.73 2.7 7 7 A 59 ALA H A 50 HIS O 1.0 1.73 2.7 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 7 ASP C A 8 GLU N A 8 GLU CA A 8 GLU C 1.0 -169.0 -61.0 PHI 2 2 A 8 GLU C A 9 CYS N A 9 CYS CA A 9 CYS C 1.0 -135.0 -87.0 PHI 3 3 A 9 CYS C A 10 PHE N A 10 PHE CA A 10 PHE C 1.0 -97.0 -67.0 PHI 4 4 A 10 PHE C A 11 SER N A 11 SER CA A 11 SER C 1.0 -76.5 -49.5 PHI 5 5 A 11 SER C A 12 CYS N A 12 CYS CA A 12 CYS C 1.0 -132.0 -90.0 PHI 6 6 A 13 GLY C A 14 ASP N A 14 ASP CA A 14 ASP C 1.0 -131.0 -65.0 PHI 7 7 A 14 ASP C A 15 ALA N A 15 ALA CA A 15 ALA C 1.0 -152.0 -62.0 PHI 8 8 A 17 GLN C A 18 LEU N A 18 LEU CA A 18 LEU C 1.0 -123.5 -84.5 PHI 9 9 A 18 LEU C A 19 VAL N A 19 VAL CA A 19 VAL C 1.0 -139.0 -103.0 PHI 10 10 A 19 VAL C A 20 SER N A 20 SER CA A 20 SER C 1.0 -155.0 -71.0 PHI 11 11 A 20 SER C A 21 CYS N A 21 CYS CA A 21 CYS C 1.0 -149.0 -53.0 PHI 12 12 A 22 LYS C A 23 LYS N A 23 LYS CA A 23 LYS C 1.0 -116.5 -53.5 PHI 13 13 A 23 LYS C A 24 PRO N A 24 PRO CA A 24 PRO C 1.0 -84.5 -45.5 PHI 14 14 A 25 GLY C A 26 CYS N A 26 CYS CA A 26 CYS C 1.0 -162.5 -81.5 PHI 15 15 A 27 PRO C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 -106.5 -79.5 PHI 16 16 A 28 LYS C A 29 VAL N A 29 VAL CA A 29 VAL C 1.0 -146.0 -122.0 PHI 17 17 A 29 VAL C A 30 TYR N A 30 TYR CA A 30 TYR C 1.0 -168.5 -99.5 PHI 18 18 A 31 HIS C A 32 ALA N A 32 ALA CA A 32 ALA C 1.0 -74.0 -50.0 PHI 19 19 A 32 ALA C A 33 ASP N A 33 ASP CA A 33 ASP C 1.0 -65.5 -56.5 PHI 20 20 A 33 ASP C A 34 CYS N A 34 CYS CA A 34 CYS C 1.0 -85.0 -55.0 PHI 21 21 A 34 CYS C A 35 LEU N A 35 LEU CA A 35 LEU C 1.0 -115.5 -82.5 PHI 22 22 A 35 LEU C A 36 ASN N A 36 ASN CA A 36 ASN C 1.0 39.5 72.5 PHI 23 23 A 37 LEU C A 38 THR N A 38 THR CA A 38 THR C 1.0 -127.0 -67.0 PHI 24 24 A 38 THR C A 39 LYS N A 39 LYS CA A 39 LYS C 1.0 -186.5 -57.5 PHI 25 25 A 39 LYS C A 40 ARG N A 40 ARG CA A 40 ARG C 1.0 -99.5 -42.5 PHI 26 26 A 40 ARG C A 41 PRO N A 41 PRO CA A 41 PRO C 1.0 -81.0 -51.0 PHI 27 27 A 41 PRO C A 42 ALA N A 42 ALA CA A 42 ALA C 1.0 -136.0 -58.0 PHI 28 28 A 43 GLY C A 44 LYS N A 44 LYS CA A 44 LYS C 1.0 -137.5 -50.5 PHI 29 29 A 44 LYS C A 45 TRP N A 45 TRP CA A 45 TRP C 1.0 -112.5 -49.5 PHI 30 30 A 47 CYS C A 48 PRO N A 48 PRO CA A 48 PRO C 1.0 -72.5 -51.5 PHI 31 31 A 48 PRO C A 49 TRP N A 49 TRP CA A 49 TRP C 1.0 -114.5 -51.5 PHI 32 32 A 49 TRP C A 50 HIS N A 50 HIS CA A 50 HIS C 1.0 -121.0 -67.0 PHI 33 33 A 50 HIS C A 51 GLN N A 51 GLN CA A 51 GLN C 1.0 -167.5 -62.5 PHI 34 34 A 51 GLN C A 52 CYS N A 52 CYS CA A 52 CYS C 1.0 -89.5 -50.5 PHI 35 35 A 52 CYS C A 53 ASP N A 53 ASP CA A 53 ASP C 1.0 -71.0 -47.0 PHI 36 36 A 53 ASP C A 54 VAL N A 54 VAL CA A 54 VAL C 1.0 -113.5 -44.5 PHI 37 37 A 54 VAL C A 55 CYS N A 55 CYS CA A 55 CYS C 1.0 -135.0 -93.0 PHI 38 38 A 60 ALA C A 61 SER N A 61 SER CA A 61 SER C 1.0 -162.0 -84.0 PHI 39 39 A 69 SER C A 70 PHE N A 70 PHE CA A 70 PHE C 1.0 -143.5 -110.5 PHI 40 40 A 70 PHE C A 71 CYS N A 71 CYS CA A 71 CYS C 1.0 -102.5 -63.5 PHI 41 41 A 71 CYS C A 72 LYS N A 72 LYS CA A 72 LYS C 1.0 -72.0 -42.0 PHI 42 42 A 72 LYS C A 73 GLN N A 73 GLN CA A 73 GLN C 1.0 -84.0 -60.0 PHI 43 43 A 74 HIS C A 75 ARG N A 75 ARG CA A 75 ARG C 1.0 -115.5 -76.5 PHI 44 44 A 75 ARG C A 76 GLU N A 76 GLU CA A 76 GLU C 1.0 -66.5 -45.5 PHI 45 45 A 76 GLU C A 77 GLY N A 77 GLY CA A 77 GLY C 1.0 58.0 106.0 PHI 46 46 A 78 MET C A 79 LEU N A 79 LEU CA A 79 LEU C 1.0 -157.0 -109.0 PHI 47 47 A 79 LEU C A 80 PHE N A 80 PHE CA A 80 PHE C 1.0 -148.0 -112.0 PHI 48 48 A 80 PHE C A 81 ILE N A 81 ILE CA A 81 ILE C 1.0 -127.5 -64.5 PHI 49 49 A 81 ILE C A 82 SER N A 82 SER CA A 82 SER C 1.0 -122.5 -35.5 PHI 50 50 A 82 SER C A 83 LYS N A 83 LYS CA A 83 LYS C 1.0 -72.5 -51.5 PHI 51 51 A 83 LYS C A 84 LEU N A 84 LEU CA A 84 LEU C 1.0 -85.0 -61.0 PHI 52 52 A 84 LEU C A 85 ASP N A 85 ASP CA A 85 ASP C 1.0 -135.5 -72.5 PHI 53 53 A 86 GLY C A 87 ARG N A 87 ARG CA A 87 ARG C 1.0 -93.0 -57.0 PHI 54 54 A 87 ARG C A 88 LEU N A 88 LEU CA A 88 LEU C 1.0 -113.0 -65.0 PHI 55 55 A 88 LEU C A 89 SER N A 89 SER CA A 89 SER C 1.0 -140.0 -110.0 PHI 56 56 A 91 THR C A 92 GLU N A 92 GLU CA A 92 GLU C 1.0 -114.5 -63.5 PHI 57 57 A 92 GLU C A 93 HIS N A 93 HIS CA A 93 HIS C 1.0 -165.5 -54.5 PHI 58 58 A 8 GLU N A 8 GLU CA A 8 GLU C A 9 CYS N 1.0 105.0 171.0 PSI 59 59 A 9 CYS N A 9 CYS CA A 9 CYS C A 10 PHE N 1.0 110.0 140.0 PSI 60 60 A 10 PHE N A 10 PHE CA A 10 PHE C A 11 SER N 1.0 -60.0 0.0 PSI 61 61 A 11 SER N A 11 SER CA A 11 SER C A 12 CYS N 1.0 -46.0 -16.0 PSI 62 62 A 12 CYS N A 12 CYS CA A 12 CYS C A 13 GLY N 1.0 -27.0 9.0 PSI 63 63 A 14 ASP N A 14 ASP CA A 14 ASP C A 15 ALA N 1.0 116.5 179.5 PSI 64 64 A 15 ALA N A 15 ALA CA A 15 ALA C A 16 GLY N 1.0 110.5 155.5 PSI 65 65 A 18 LEU N A 18 LEU CA A 18 LEU C A 19 VAL N 1.0 119.5 152.5 PSI 66 66 A 19 VAL N A 19 VAL CA A 19 VAL C A 20 SER N 1.0 129.5 168.5 PSI 67 67 A 20 SER N A 20 SER CA A 20 SER C A 21 CYS N 1.0 105.5 162.5 PSI 68 68 A 21 CYS N A 21 CYS CA A 21 CYS C A 22 LYS N 1.0 113.5 158.5 PSI 69 69 A 23 LYS N A 23 LYS CA A 23 LYS C A 24 PRO N 1.0 108.5 165.5 PSI 70 70 A 24 PRO N A 24 PRO CA A 24 PRO C A 25 GLY N 1.0 131.0 161.0 PSI 71 71 A 26 CYS N A 26 CYS CA A 26 CYS C A 27 PRO N 1.0 106.5 157.5 PSI 72 72 A 28 LYS N A 28 LYS CA A 28 LYS C A 29 VAL N 1.0 120.0 160.0 PSI 73 73 A 29 VAL N A 29 VAL CA A 29 VAL C A 30 TYR N 1.0 141.0 189.0 PSI 74 74 A 30 TYR N A 30 TYR CA A 30 TYR C A 31 HIS N 1.0 145.5 166.5 PSI 75 75 A 32 ALA N A 32 ALA CA A 32 ALA C A 33 ASP N 1.0 -53.5 -32.5 PSI 76 76 A 33 ASP N A 33 ASP CA A 33 ASP C A 34 CYS N 1.0 -52.5 -25.5 PSI 77 77 A 34 CYS N A 34 CYS CA A 34 CYS C A 35 LEU N 1.0 -56.5 -11.5 PSI 78 78 A 35 LEU N A 35 LEU CA A 35 LEU C A 36 ASN N 1.0 -6.0 18.0 PSI 79 79 A 36 ASN N A 36 ASN CA A 36 ASN C A 37 LEU N 1.0 31.5 52.5 PSI 80 80 A 38 THR N A 38 THR CA A 38 THR C A 39 LYS N 1.0 -48.5 26.5 PSI 81 81 A 39 LYS N A 39 LYS CA A 39 LYS C A 40 ARG N 1.0 109.0 175.0 PSI 82 82 A 40 ARG N A 40 ARG CA A 40 ARG C A 41 PRO N 1.0 114.5 159.5 PSI 83 83 A 41 PRO N A 41 PRO CA A 41 PRO C A 42 ALA N 1.0 133.5 166.5 PSI 84 84 A 42 ALA N A 42 ALA CA A 42 ALA C A 43 GLY N 1.0 104.0 158.0 PSI 85 85 A 44 LYS N A 44 LYS CA A 44 LYS C A 45 TRP N 1.0 109.5 166.5 PSI 86 86 A 45 TRP N A 45 TRP CA A 45 TRP C A 46 GLU N 1.0 110.0 140.0 PSI 87 87 A 48 PRO N A 48 PRO CA A 48 PRO C A 49 TRP N 1.0 -5.0 35.0 PSI 88 88 A 49 TRP N A 49 TRP CA A 49 TRP C A 50 HIS N 1.0 -54.5 14.5 PSI 89 89 A 50 HIS N A 50 HIS CA A 50 HIS C A 51 GLN N 1.0 -32.0 28.0 PSI 90 90 A 51 GLN N A 51 GLN CA A 51 GLN C A 52 CYS N 1.0 74.5 173.5 PSI 91 91 A 52 CYS N A 52 CYS CA A 52 CYS C A 53 ASP N 1.0 113.5 134.5 PSI 92 92 A 53 ASP N A 53 ASP CA A 53 ASP C A 54 VAL N 1.0 -51.0 -3.0 PSI 93 93 A 54 VAL N A 54 VAL CA A 54 VAL C A 55 CYS N 1.0 -59.0 -17.0 PSI 94 94 A 55 CYS N A 55 CYS CA A 55 CYS C A 56 GLY N 1.0 -31.5 1.5 PSI 95 95 A 61 SER N A 61 SER CA A 61 SER C A 62 PHE N 1.0 119.5 164.5 PSI 96 96 A 70 PHE N A 70 PHE CA A 70 PHE C A 71 CYS N 1.0 146.0 164.0 PSI 97 97 A 71 CYS N A 71 CYS CA A 71 CYS C A 72 LYS N 1.0 152.0 188.0 PSI 98 98 A 72 LYS N A 72 LYS CA A 72 LYS C A 73 GLN N 1.0 -52.5 -25.5 PSI 99 99 A 73 GLN N A 73 GLN CA A 73 GLN C A 74 HIS N 1.0 -51.5 -12.5 PSI 100 100 A 75 ARG N A 75 ARG CA A 75 ARG C A 76 GLU N 1.0 -32.0 22.0 PSI 101 101 A 76 GLU N A 76 GLU CA A 76 GLU C A 77 GLY N 1.0 124.5 139.5 PSI 102 102 A 77 GLY N A 77 GLY CA A 77 GLY C A 78 MET N 1.0 -28.0 32.0 PSI 103 103 A 79 LEU N A 79 LEU CA A 79 LEU C A 80 PHE N 1.0 144.0 168.0 PSI 104 104 A 80 PHE N A 80 PHE CA A 80 PHE C A 81 ILE N 1.0 126.5 165.5 PSI 105 105 A 81 ILE N A 81 ILE CA A 81 ILE C A 82 SER N 1.0 103.5 148.5 PSI 106 106 A 82 SER N A 82 SER CA A 82 SER C A 83 LYS N 1.0 100.0 154.0 PSI 107 107 A 83 LYS N A 83 LYS CA A 83 LYS C A 84 LEU N 1.0 -46.0 -4.0 PSI 108 108 A 84 LEU N A 84 LEU CA A 84 LEU C A 85 ASP N 1.0 -55.5 -4.5 PSI 109 109 A 85 ASP N A 85 ASP CA A 85 ASP C A 86 GLY N 1.0 -25.5 31.5 PSI 110 110 A 87 ARG N A 87 ARG CA A 87 ARG C A 88 LEU N 1.0 123.0 153.0 PSI 111 111 A 88 LEU N A 88 LEU CA A 88 LEU C A 89 SER N 1.0 107.5 152.5 PSI 112 112 A 89 SER N A 89 SER CA A 89 SER C A 90 CYS N 1.0 116.0 134.0 PSI 113 113 A 92 GLU N A 92 GLU CA A 92 GLU C A 93 HIS N 1.0 -40.5 28.5 PSI 114 114 A 93 HIS N A 93 HIS CA A 93 HIS C A 94 ASP N 1.0 51.5 168.5 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_3 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_3 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 18 LEU H A 18 LEU N 1.0 . . . 2 2 A 20 SER H A 20 SER N 1.0 . . . 3 3 A 21 CYS H A 21 CYS N 1.0 . . . 4 4 A 26 CYS H A 26 CYS N 1.0 . . . 5 5 A 28 LYS H A 28 LYS N 1.0 . . . 6 6 A 29 VAL H A 29 VAL N 1.0 . . . 7 7 A 32 ALA H A 32 ALA N 1.0 . . . 8 8 A 34 CYS H A 34 CYS N 1.0 . . . 9 9 A 51 GLN H A 51 GLN N 1.0 . . . 10 10 A 68 SER H A 68 SER N 1.0 . . . 11 11 A 70 PHE H A 70 PHE N 1.0 . . . 12 12 A 72 LYS H A 72 LYS N 1.0 . . . 13 13 A 73 GLN H A 73 GLN N 1.0 . . . 14 14 A 74 HIS H A 74 HIS N 1.0 . . . 15 15 A 79 LEU H A 79 LEU N 1.0 . . . 16 16 A 80 PHE H A 80 PHE N 1.0 . . . 17 17 A 81 ILE H A 81 ILE N 1.0 . . . 18 18 A 82 SER H A 82 SER N 1.0 . . . 19 19 A 86 GLY H A 86 GLY N 1.0 . . . 20 20 A 87 ARG H A 87 ARG N 1.0 . . . 21 21 A 88 LEU H A 88 LEU N 1.0 . . . 22 22 A 89 SER H A 89 SER N 1.0 . . . 23 23 A 90 CYS H A 90 CYS N 1.0 . . . stop_ save_