data_nef_c30075_5jpx save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5JPX 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 7 CYS SG 2 1 ZN ZN 1 10 HIS NE2 2 1 ZN ZN 1 26 CYS SG 2 1 ZN ZN 1 29 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 86 GLY start . false 2 A 87 THR middle . . 3 A 88 GLN middle . . 4 A 89 GLY middle . false 5 A 90 GLU middle . . 6 A 91 ARG middle . . 7 A 92 CYS middle -HG . 8 A 93 ALA middle . . 9 A 94 VAL middle . . 10 A 95 HIS middle -HE2 . 11 A 96 GLY middle . false 12 A 97 GLU middle . . 13 A 98 ARG middle . . 14 A 99 LEU middle . . 15 A 100 HIS middle . . 16 A 101 LEU middle . . 17 A 102 PHE middle . . 18 A 103 CYS middle . . 19 A 104 GLU middle . . 20 A 105 LYS middle . . 21 A 106 ASP middle . . 22 A 107 GLY middle . false 23 A 108 LYS middle . . 24 A 109 ALA middle . . 25 A 110 LEU middle . . 26 A 111 CYS middle -HG . 27 A 112 TRP middle . . 28 A 113 VAL middle . . 29 A 114 CYS middle -HG . 30 A 115 ALA middle . . 31 A 116 GLN middle . . 32 A 117 SER middle . . 33 A 118 ARG middle . . 34 A 119 LYS middle . . 35 A 120 HIS middle . . 36 A 121 ARG middle . . 37 A 122 ASP middle . . 38 A 123 HIS middle . . 39 A 124 ALA middle . . 40 A 125 MET middle . . 41 A 126 VAL middle . . 42 A 127 PRO middle . false 43 A 128 LEU middle . . 44 A 129 GLU middle . . 45 A 130 GLU end . . 46 B 1 ZN . . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 86 GLY H1 H 1 8.421 0.04 A 86 GLY HAx H 1 4.022 0.04 A 86 GLY HAy H 1 4.022 0.04 A 86 GLY C C 13 174.435 0.40 A 86 GLY CA C 13 45.352 0.40 A 86 GLY N N 15 109.994 0.40 A 87 THR H H 1 8.152 0.04 A 87 THR HA H 1 4.367 0.04 A 87 THR HB H 1 4.271 0.04 A 87 THR HG2% H 1 1.194 0.04 A 87 THR C C 13 174.957 0.40 A 87 THR CA C 13 61.888 0.40 A 87 THR CB C 13 69.839 0.40 A 87 THR CG2 C 13 21.648 0.40 A 87 THR N N 15 113.323 0.40 A 88 GLN H H 1 8.563 0.04 A 88 GLN HA H 1 4.342 0.04 A 88 GLN HBx H 1 2.016 0.04 A 88 GLN HBy H 1 2.153 0.04 A 88 GLN HGx H 1 2.386 0.04 A 88 GLN HGy H 1 2.386 0.04 A 88 GLN C C 13 176.427 0.40 A 88 GLN CA C 13 56.325 0.40 A 88 GLN CB C 13 29.215 0.40 A 88 GLN CG C 13 33.886 0.40 A 88 GLN N N 15 122.337 0.40 A 89 GLY H H 1 8.398 0.04 A 89 GLY HAx H 1 3.909 0.04 A 89 GLY HAy H 1 4.018 0.04 A 89 GLY C C 13 173.841 0.40 A 89 GLY CA C 13 45.076 0.40 A 89 GLY N N 15 109.658 0.40 A 90 GLU H H 1 8.302 0.04 A 90 GLU HA H 1 4.318 0.04 A 90 GLU HBx H 1 1.990 0.04 A 90 GLU HBy H 1 2.034 0.04 A 90 GLU HGx H 1 2.248 0.04 A 90 GLU HGy H 1 2.317 0.04 A 90 GLU C C 13 176.238 0.40 A 90 GLU CA C 13 56.718 0.40 A 90 GLU CB C 13 30.970 0.40 A 90 GLU CG C 13 36.444 0.40 A 90 GLU N N 15 120.120 0.40 A 91 ARG H H 1 8.462 0.04 A 91 ARG HA H 1 4.576 0.04 A 91 ARG HBx H 1 1.390 0.04 A 91 ARG HBy H 1 1.569 0.04 A 91 ARG HDx H 1 3.036 0.04 A 91 ARG HDy H 1 3.072 0.04 A 91 ARG HGx H 1 1.563 0.04 A 91 ARG HGy H 1 1.563 0.04 A 91 ARG C C 13 175.150 0.40 A 91 ARG CA C 13 54.231 0.40 A 91 ARG CB C 13 32.864 0.40 A 91 ARG CD C 13 42.871 0.40 A 91 ARG CG C 13 27.721 0.40 A 91 ARG N N 15 120.260 0.40 A 92 CYS H H 1 9.014 0.04 A 92 CYS HA H 1 4.202 0.04 A 92 CYS HBx H 1 3.029 0.04 A 92 CYS HBy H 1 3.060 0.04 A 92 CYS C C 13 177.325 0.40 A 92 CYS CA C 13 59.498 0.40 A 92 CYS CB C 13 29.721 0.40 A 92 CYS N N 15 123.453 0.40 A 93 ALA H H 1 9.441 0.04 A 93 ALA HA H 1 4.121 0.04 A 93 ALA HB% H 1 1.482 0.04 A 93 ALA C C 13 177.984 0.40 A 93 ALA CA C 13 54.681 0.40 A 93 ALA CB C 13 18.906 0.40 A 93 ALA N N 15 135.100 0.40 A 94 VAL H H 1 8.168 0.04 A 94 VAL HA H 1 3.745 0.04 A 94 VAL HB H 1 1.128 0.04 A 94 VAL HGx% H 1 0.720 0.04 A 94 VAL HGy% H 1 0.307 0.04 A 94 VAL C C 13 177.912 0.40 A 94 VAL CA C 13 64.441 0.40 A 94 VAL CB C 13 33.206 0.40 A 94 VAL CGy C 13 20.972 0.40 A 94 VAL CGx C 13 20.188 0.40 A 94 VAL N N 15 118.031 0.40 A 95 HIS H H 1 8.652 0.04 A 95 HIS HA H 1 4.719 0.04 A 95 HIS HBx H 1 3.278 0.04 A 95 HIS HBy H 1 3.414 0.04 A 95 HIS HE1 H 1 8.025 0.04 A 95 HIS C C 13 176.767 0.40 A 95 HIS CA C 13 58.068 0.40 A 95 HIS CB C 13 33.081 0.40 A 95 HIS CE1 C 13 135.517 0.40 A 95 HIS N N 15 116.916 0.40 A 96 GLY H H 1 8.389 0.04 A 96 GLY HAx H 1 3.846 0.04 A 96 GLY HAy H 1 4.211 0.04 A 96 GLY C C 13 173.304 0.40 A 96 GLY CA C 13 46.032 0.40 A 96 GLY N N 15 107.364 0.40 A 97 GLU H H 1 6.117 0.04 A 97 GLU HA H 1 4.683 0.04 A 97 GLU HBx H 1 2.355 0.04 A 97 GLU HBy H 1 2.589 0.04 A 97 GLU HGx H 1 2.172 0.04 A 97 GLU HGy H 1 2.198 0.04 A 97 GLU C C 13 175.594 0.40 A 97 GLU CA C 13 54.279 0.40 A 97 GLU CB C 13 31.857 0.40 A 97 GLU CG C 13 35.406 0.40 A 97 GLU N N 15 116.776 0.40 A 98 ARG H H 1 9.294 0.04 A 98 ARG HA H 1 4.165 0.04 A 98 ARG HBx H 1 1.740 0.04 A 98 ARG HBy H 1 1.774 0.04 A 98 ARG HDx H 1 3.193 0.04 A 98 ARG HDy H 1 3.193 0.04 A 98 ARG HGx H 1 1.705 0.04 A 98 ARG HGy H 1 1.705 0.04 A 98 ARG C C 13 176.181 0.40 A 98 ARG CA C 13 57.287 0.40 A 98 ARG CB C 13 30.670 0.40 A 98 ARG CD C 13 43.222 0.40 A 98 ARG CG C 13 27.741 0.40 A 98 ARG N N 15 121.435 0.40 A 99 LEU H H 1 8.323 0.04 A 99 LEU HA H 1 4.139 0.04 A 99 LEU HBx H 1 1.068 0.04 A 99 LEU HBy H 1 1.725 0.04 A 99 LEU HDx% H 1 0.752 0.04 A 99 LEU HDy% H 1 0.682 0.04 A 99 LEU HG H 1 1.411 0.04 A 99 LEU C C 13 176.316 0.40 A 99 LEU CA C 13 54.903 0.40 A 99 LEU CB C 13 41.630 0.40 A 99 LEU CDy C 13 25.621 0.40 A 99 LEU CDx C 13 22.965 0.40 A 99 LEU CG C 13 26.491 0.40 A 99 LEU N N 15 123.080 0.40 A 100 HIS H H 1 8.320 0.04 A 100 HIS HA H 1 5.748 0.04 A 100 HIS HBx H 1 2.792 0.04 A 100 HIS HBy H 1 3.448 0.04 A 100 HIS HE1 H 1 8.059 0.04 A 100 HIS C C 13 174.055 0.40 A 100 HIS CA C 13 56.686 0.40 A 100 HIS CB C 13 34.261 0.40 A 100 HIS CE1 C 13 139.133 0.40 A 100 HIS N N 15 120.448 0.40 A 101 LEU H H 1 8.178 0.04 A 101 LEU HA H 1 5.009 0.04 A 101 LEU HBx H 1 1.121 0.04 A 101 LEU HBy H 1 1.264 0.04 A 101 LEU HDx% H 1 0.590 0.04 A 101 LEU HDy% H 1 0.592 0.04 A 101 LEU C C 13 174.227 0.40 A 101 LEU CA C 13 53.271 0.40 A 101 LEU CB C 13 47.841 0.40 A 101 LEU CDx C 13 23.030 0.40 A 101 LEU CDy C 13 26.437 0.40 A 101 LEU N N 15 122.877 0.40 A 102 PHE H H 1 9.607 0.04 A 102 PHE HA H 1 4.815 0.04 A 102 PHE HBx H 1 2.646 0.04 A 102 PHE HBy H 1 2.912 0.04 A 102 PHE HDx H 1 6.810 0.04 A 102 PHE HDy H 1 6.810 0.04 A 102 PHE HEx H 1 7.197 0.04 A 102 PHE HEy H 1 7.197 0.04 A 102 PHE HZ H 1 7.122 0.04 A 102 PHE C C 13 173.776 0.40 A 102 PHE CA C 13 57.004 0.40 A 102 PHE CB C 13 42.243 0.40 A 102 PHE CDx C 13 128.597 0.40 A 102 PHE CEx C 13 128.514 0.40 A 102 PHE CZ C 13 126.650 0.40 A 102 PHE N N 15 122.553 0.40 A 103 CYS H H 1 8.337 0.04 A 103 CYS HA H 1 4.669 0.04 A 103 CYS HBx H 1 2.530 0.04 A 103 CYS HBy H 1 2.902 0.04 A 103 CYS C C 13 175.637 0.40 A 103 CYS CA C 13 58.621 0.40 A 103 CYS CB C 13 28.703 0.40 A 103 CYS N N 15 128.073 0.40 A 104 GLU H H 1 9.120 0.04 A 104 GLU HA H 1 4.035 0.04 A 104 GLU HBx H 1 2.069 0.04 A 104 GLU HBy H 1 2.069 0.04 A 104 GLU HGx H 1 2.244 0.04 A 104 GLU HGy H 1 2.373 0.04 A 104 GLU C C 13 178.298 0.40 A 104 GLU CA C 13 59.043 0.40 A 104 GLU CB C 13 30.507 0.40 A 104 GLU CG C 13 37.462 0.40 A 104 GLU N N 15 129.386 0.40 A 105 LYS H H 1 7.932 0.04 A 105 LYS HA H 1 3.779 0.04 A 105 LYS HBx H 1 1.274 0.04 A 105 LYS HBy H 1 1.569 0.04 A 105 LYS HDx H 1 1.554 0.04 A 105 LYS HDy H 1 1.554 0.04 A 105 LYS HEx H 1 2.914 0.04 A 105 LYS HEy H 1 2.914 0.04 A 105 LYS HGx H 1 0.942 0.04 A 105 LYS HGy H 1 1.072 0.04 A 105 LYS C C 13 177.640 0.40 A 105 LYS CA C 13 58.388 0.40 A 105 LYS CB C 13 32.715 0.40 A 105 LYS CD C 13 28.832 0.40 A 105 LYS CE C 13 41.968 0.40 A 105 LYS CG C 13 24.786 0.40 A 105 LYS N N 15 120.403 0.40 A 106 ASP H H 1 8.111 0.04 A 106 ASP HA H 1 4.741 0.04 A 106 ASP HBx H 1 2.630 0.04 A 106 ASP HBy H 1 2.833 0.04 A 106 ASP C C 13 175.966 0.40 A 106 ASP CA C 13 55.029 0.40 A 106 ASP CB C 13 42.826 0.40 A 106 ASP N N 15 115.224 0.40 A 107 GLY H H 1 8.138 0.04 A 107 GLY HAx H 1 3.687 0.04 A 107 GLY HAy H 1 3.827 0.04 A 107 GLY C C 13 174.077 0.40 A 107 GLY CA C 13 47.337 0.40 A 107 GLY N N 15 111.884 0.40 A 108 LYS H H 1 6.639 0.04 A 108 LYS HA H 1 4.555 0.04 A 108 LYS HBx H 1 1.413 0.04 A 108 LYS HBy H 1 1.602 0.04 A 108 LYS HDx H 1 1.681 0.04 A 108 LYS HDy H 1 1.681 0.04 A 108 LYS HEx H 1 3.037 0.04 A 108 LYS HEy H 1 3.037 0.04 A 108 LYS HGx H 1 1.311 0.04 A 108 LYS HGy H 1 1.371 0.04 A 108 LYS C C 13 173.962 0.40 A 108 LYS CA C 13 53.824 0.40 A 108 LYS CB C 13 36.311 0.40 A 108 LYS CD C 13 28.754 0.40 A 108 LYS CE C 13 42.248 0.40 A 108 LYS CG C 13 23.959 0.40 A 108 LYS N N 15 116.112 0.40 A 109 ALA H H 1 8.595 0.04 A 109 ALA HA H 1 5.056 0.04 A 109 ALA HB% H 1 1.514 0.04 A 109 ALA C C 13 176.023 0.40 A 109 ALA CA C 13 51.369 0.40 A 109 ALA CB C 13 20.734 0.40 A 109 ALA N N 15 125.688 0.40 A 110 LEU H H 1 9.228 0.04 A 110 LEU HA H 1 4.843 0.04 A 110 LEU HBx H 1 1.435 0.04 A 110 LEU HBy H 1 1.473 0.04 A 110 LEU HDx% H 1 0.240 0.04 A 110 LEU HDy% H 1 0.289 0.04 A 110 LEU HG H 1 1.386 0.04 A 110 LEU C C 13 176.767 0.40 A 110 LEU CA C 13 54.067 0.40 A 110 LEU CB C 13 46.090 0.40 A 110 LEU CDy C 13 26.535 0.40 A 110 LEU CDx C 13 21.963 0.40 A 110 LEU CG C 13 25.804 0.40 A 110 LEU N N 15 120.376 0.40 A 111 CYS H H 1 7.671 0.04 A 111 CYS HA H 1 5.097 0.04 A 111 CYS HBx H 1 2.888 0.04 A 111 CYS HBy H 1 3.183 0.04 A 111 CYS C C 13 176.538 0.40 A 111 CYS CA C 13 56.767 0.40 A 111 CYS CB C 13 34.254 0.40 A 111 CYS N N 15 118.719 0.40 A 112 TRP H H 1 9.418 0.04 A 112 TRP HA H 1 4.285 0.04 A 112 TRP HBx H 1 3.148 0.04 A 112 TRP HBy H 1 3.475 0.04 A 112 TRP HD1 H 1 7.546 0.04 A 112 TRP HE1 H 1 10.207 0.04 A 112 TRP HE3 H 1 7.272 0.04 A 112 TRP HH2 H 1 7.119 0.04 A 112 TRP HZ2 H 1 7.337 0.04 A 112 TRP HZ3 H 1 7.001 0.04 A 112 TRP C C 13 177.096 0.40 A 112 TRP CA C 13 60.376 0.40 A 112 TRP CB C 13 27.906 0.40 A 112 TRP CD1 C 13 135.599 0.40 A 112 TRP CE3 C 13 117.689 0.40 A 112 TRP CH2 C 13 121.899 0.40 A 112 TRP CZ2 C 13 111.794 0.40 A 112 TRP CZ3 C 13 119.202 0.40 A 112 TRP N N 15 119.546 0.40 A 112 TRP NE1 N 15 129.604 0.40 A 113 VAL H H 1 7.966 0.04 A 113 VAL HA H 1 3.019 0.04 A 113 VAL HB H 1 0.464 0.04 A 113 VAL HGx% H 1 0.091 0.04 A 113 VAL HGy% H 1 -0.407 0.04 A 113 VAL C C 13 180.416 0.40 A 113 VAL CA C 13 65.693 0.40 A 113 VAL CB C 13 30.949 0.40 A 113 VAL CGy C 13 20.756 0.40 A 113 VAL CGx C 13 19.535 0.40 A 113 VAL N N 15 125.174 0.40 A 114 CYS H H 1 8.094 0.04 A 114 CYS HA H 1 3.968 0.04 A 114 CYS HBx H 1 2.859 0.04 A 114 CYS HBy H 1 3.616 0.04 A 114 CYS C C 13 179.400 0.40 A 114 CYS CA C 13 64.636 0.40 A 114 CYS CB C 13 31.791 0.40 A 114 CYS N N 15 124.250 0.40 A 115 ALA H H 1 8.080 0.04 A 115 ALA HA H 1 3.798 0.04 A 115 ALA HB% H 1 1.363 0.04 A 115 ALA C C 13 177.053 0.40 A 115 ALA CA C 13 54.604 0.40 A 115 ALA CB C 13 19.007 0.40 A 115 ALA N N 15 118.964 0.40 A 116 GLN H H 1 7.180 0.04 A 116 GLN HA H 1 4.298 0.04 A 116 GLN HBx H 1 2.015 0.04 A 116 GLN HBy H 1 2.221 0.04 A 116 GLN HGx H 1 2.417 0.04 A 116 GLN HGy H 1 2.541 0.04 A 116 GLN C C 13 176.395 0.40 A 116 GLN CA C 13 55.369 0.40 A 116 GLN CB C 13 28.970 0.40 A 116 GLN CG C 13 33.601 0.40 A 116 GLN N N 15 113.166 0.40 A 117 SER H H 1 7.500 0.04 A 117 SER HA H 1 4.394 0.04 A 117 SER HBx H 1 4.123 0.04 A 117 SER HBy H 1 4.301 0.04 A 117 SER CA C 13 58.312 0.40 A 117 SER CB C 13 64.685 0.40 A 117 SER N N 15 115.613 0.40 A 118 ARG HBx H 1 1.677 0.04 A 118 ARG HBy H 1 1.797 0.04 A 118 ARG HDx H 1 3.094 0.04 A 118 ARG HDy H 1 3.154 0.04 A 118 ARG HGx H 1 1.583 0.04 A 118 ARG HGy H 1 1.583 0.04 A 118 ARG CB C 13 29.483 0.40 A 118 ARG CD C 13 43.520 0.40 A 118 ARG CG C 13 26.021 0.40 A 119 LYS HA H 1 4.027 0.04 A 119 LYS HBx H 1 1.102 0.04 A 119 LYS HBy H 1 1.706 0.04 A 119 LYS HDy H 1 1.351 0.04 A 119 LYS HDx H 1 1.065 0.04 A 119 LYS HEx H 1 2.815 0.04 A 119 LYS HEy H 1 2.815 0.04 A 119 LYS HGx H 1 0.694 0.04 A 119 LYS HGy H 1 1.015 0.04 A 119 LYS CA C 13 58.312 0.40 A 119 LYS CB C 13 32.618 0.40 A 119 LYS CD C 13 27.758 0.40 A 119 LYS CE C 13 42.086 0.40 A 119 LYS CG C 13 23.941 0.40 A 120 HIS HE1 H 1 7.958 0.04 A 120 HIS CE1 C 13 138.257 0.40 A 121 ARG HA H 1 3.893 0.04 A 121 ARG HBx H 1 1.855 0.04 A 121 ARG HBy H 1 1.855 0.04 A 121 ARG HDx H 1 3.191 0.04 A 121 ARG HDy H 1 3.191 0.04 A 121 ARG HGx H 1 1.673 0.04 A 121 ARG HGy H 1 1.673 0.04 A 121 ARG CA C 13 58.816 0.40 A 121 ARG CB C 13 29.528 0.40 A 121 ARG CD C 13 43.175 0.40 A 121 ARG CG C 13 27.362 0.40 A 122 ASP C C 13 176.066 0.40 A 123 HIS H H 1 8.137 0.04 A 123 HIS HE1 H 1 7.441 0.04 A 123 HIS C C 13 174.921 0.40 A 123 HIS CE1 C 13 136.086 0.40 A 123 HIS N N 15 120.425 0.40 A 124 ALA H H 1 8.675 0.04 A 124 ALA HA H 1 4.412 0.04 A 124 ALA HB% H 1 1.440 0.04 A 124 ALA C C 13 176.016 0.40 A 124 ALA CA C 13 52.767 0.40 A 124 ALA CB C 13 18.514 0.40 A 124 ALA N N 15 126.423 0.40 A 125 MET H H 1 8.342 0.04 A 125 MET HA H 1 5.529 0.04 A 125 MET HBx H 1 1.716 0.04 A 125 MET HBy H 1 1.967 0.04 A 125 MET HE% H 1 2.202 0.04 A 125 MET HGx H 1 2.438 0.04 A 125 MET HGy H 1 2.694 0.04 A 125 MET C C 13 176.080 0.40 A 125 MET CA C 13 54.133 0.40 A 125 MET CB C 13 37.130 0.40 A 125 MET CE C 13 18.775 0.40 A 125 MET CG C 13 32.116 0.40 A 125 MET N N 15 121.252 0.40 A 126 VAL H H 1 8.947 0.04 A 126 VAL HA H 1 4.945 0.04 A 126 VAL HB H 1 2.325 0.04 A 126 VAL HGx% H 1 1.011 0.04 A 126 VAL HGy% H 1 0.988 0.04 A 126 VAL CA C 13 58.117 0.40 A 126 VAL CB C 13 33.712 0.40 A 126 VAL CGx C 13 18.993 0.40 A 126 VAL CGy C 13 21.766 0.40 A 126 VAL N N 15 117.208 0.40 A 127 PRO HA H 1 4.597 0.04 A 127 PRO HBy H 1 2.406 0.04 A 127 PRO HBx H 1 1.858 0.04 A 127 PRO HDx H 1 3.693 0.04 A 127 PRO HDy H 1 3.845 0.04 A 127 PRO HGx H 1 1.957 0.04 A 127 PRO HGy H 1 2.139 0.04 A 127 PRO C C 13 176.882 0.40 A 127 PRO CA C 13 63.222 0.40 A 127 PRO CB C 13 32.172 0.40 A 127 PRO CD C 13 50.776 0.40 A 127 PRO CG C 13 27.911 0.40 A 128 LEU H H 1 7.769 0.04 A 128 LEU HA H 1 4.199 0.04 A 128 LEU HBx H 1 1.251 0.04 A 128 LEU HBy H 1 1.510 0.04 A 128 LEU HDx% H 1 0.804 0.04 A 128 LEU HDy% H 1 0.796 0.04 A 128 LEU HG H 1 1.352 0.04 A 128 LEU C C 13 176.789 0.40 A 128 LEU CA C 13 55.174 0.40 A 128 LEU CB C 13 42.805 0.40 A 128 LEU CDy C 13 24.914 0.40 A 128 LEU CDx C 13 24.777 0.40 A 128 LEU CG C 13 26.981 0.40 A 128 LEU N N 15 123.226 0.40 A 129 GLU H H 1 8.420 0.04 A 129 GLU HA H 1 4.344 0.04 A 129 GLU HBx H 1 1.846 0.04 A 129 GLU HBy H 1 2.026 0.04 A 129 GLU HGx H 1 2.199 0.04 A 129 GLU HGy H 1 2.199 0.04 A 129 GLU C C 13 175.179 0.40 A 129 GLU CA C 13 56.035 0.40 A 129 GLU CB C 13 30.841 0.40 A 129 GLU CG C 13 36.172 0.40 A 129 GLU N N 15 122.596 0.40 A 130 GLU H H 1 8.024 0.04 A 130 GLU HA H 1 4.100 0.04 A 130 GLU HBx H 1 1.865 0.04 A 130 GLU HBy H 1 2.021 0.04 A 130 GLU HGx H 1 2.175 0.04 A 130 GLU HGy H 1 2.175 0.04 A 130 GLU CA C 13 58.037 0.40 A 130 GLU CB C 13 31.362 0.40 A 130 GLU CG C 13 36.798 0.40 A 130 GLU N N 15 127.269 0.40 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 130 GLU H A 129 GLU HGx 1.0 1.8 6.0 2 1 A 129 GLU HGy A 130 GLU H 1.0 1.8 6.0 3 2 A 130 GLU H A 130 GLU HBy 1.0 1.8 5.0 4 3 A 130 GLU H A 130 GLU HBx 1.0 1.8 5.0 5 4 A 130 GLU H A 129 GLU HA 1.0 1.8 2.7 6 5 A 129 GLU H A 129 GLU HBx 1.0 1.8 5.0 7 6 A 129 GLU H A 129 GLU HBy 1.0 1.8 5.0 8 7 A 129 GLU H A 129 GLU HGx 1.0 1.8 5.0 9 7 A 129 GLU HGy A 129 GLU H 1.0 1.8 5.0 10 8 A 130 GLU H A 129 GLU H 1.0 1.8 5.0 11 9 A 129 GLU H A 128 LEU H 1.0 1.8 5.0 12 10 A 129 GLU H A 128 LEU HA 1.0 1.8 3.5 13 11 A 129 GLU H A 128 LEU HBy 1.0 1.8 5.0 14 12 A 129 GLU H A 128 LEU HBx 1.0 1.8 5.0 15 13 A 129 GLU H A 128 LEU HDy% 1.0 1.8 5.0 16 14 A 128 LEU H A 128 LEU HBy 1.0 1.8 5.0 17 15 A 128 LEU H A 128 LEU HBx 1.0 1.8 3.5 18 16 A 128 LEU H A 127 PRO HBy 1.0 1.8 5.0 19 17 A 128 LEU H A 127 PRO HBx 1.0 1.8 5.0 20 18 A 128 LEU H A 127 PRO HA 1.0 1.8 3.5 21 19 A 128 LEU H A 101 LEU HA 1.0 1.8 3.5 22 20 A 128 LEU H A 127 PRO HGx 1.0 1.8 5.0 23 21 A 125 MET HA A 126 VAL H 1.0 1.8 3.5 24 22 A 126 VAL H A 102 PHE HBy 1.0 1.8 5.0 25 23 A 126 VAL H A 125 MET HBx 1.0 1.8 5.0 26 24 A 126 VAL H A 126 VAL HGy% 1.0 1.8 3.5 27 25 A 126 VAL H A 102 PHE H 1.0 1.8 5.0 28 26 A 126 VAL H A 104 GLU H 1.0 1.8 5.0 29 27 A 126 VAL H A 125 MET HBy 1.0 1.8 5.0 30 28 A 128 LEU H A 128 LEU HDy% 1.0 1.8 5.0 31 29 A 128 LEU H A 128 LEU HDx% 1.0 1.8 5.0 32 30 A 125 MET H A 125 MET HBy 1.0 1.8 5.0 33 31 A 125 MET H A 125 MET HBx 1.0 1.8 5.0 34 32 A 125 MET H A 124 ALA HB% 1.0 1.8 5.0 35 33 A 125 MET H A 124 ALA HA 1.0 1.8 2.7 36 34 A 126 VAL H A 125 MET H 1.0 1.8 5.0 37 35 A 125 MET H A 125 MET HGy 1.0 1.8 5.0 38 36 A 125 MET H A 125 MET HGx 1.0 1.8 5.0 39 37 A 124 ALA HB% A 124 ALA H 1.0 1.8 3.5 40 38 A 124 ALA H A 123 HIS H 1.0 1.8 5.0 41 39 A 123 HIS H A 125 MET HE% 1.0 1.8 5.0 42 40 A 125 MET H A 123 HIS H 1.0 1.8 5.0 43 41 A 117 SER H A 116 GLN HBx 1.0 1.8 5.0 44 42 A 117 SER H A 116 GLN HBy 1.0 1.8 5.0 45 43 A 125 MET HE% A 117 SER H 1.0 1.8 6.0 46 44 A 117 SER H A 116 GLN H 1.0 1.8 3.5 47 45 A 116 GLN H A 116 GLN HBx 1.0 1.8 5.0 48 46 A 116 GLN H A 115 ALA HB% 1.0 1.8 5.0 49 47 A 116 GLN H A 116 GLN HBy 1.0 1.8 5.0 50 48 A 116 GLN H A 116 GLN HGx 1.0 1.8 5.0 51 49 A 116 GLN H A 116 GLN HGy 1.0 1.8 5.0 52 50 A 116 GLN H A 113 VAL HA 1.0 1.8 5.0 53 51 A 115 ALA HB% A 115 ALA H 1.0 1.8 3.5 54 52 A 115 ALA H A 114 CYS HBx 1.0 1.8 5.0 55 53 A 115 ALA H A 114 CYS HBy 1.0 1.8 5.0 56 54 A 115 ALA H A 111 CYS H 1.0 1.8 5.0 57 55 A 116 GLN H A 115 ALA H 1.0 1.8 3.5 58 56 A 115 ALA H A 112 TRP HA 1.0 1.8 5.0 59 57 A 115 ALA H A 110 LEU HDx% 1.0 1.8 5.0 60 58 A 113 VAL HB A 114 CYS H 1.0 1.8 3.5 61 59 A 114 CYS H A 113 VAL HGx% 1.0 1.8 5.0 62 60 A 111 CYS H A 114 CYS H 1.0 1.8 5.0 63 61 A 114 CYS H A 114 CYS HBy 1.0 1.8 5.0 64 62 A 114 CYS H A 114 CYS HBx 1.0 1.8 5.0 65 63 A 114 CYS H A 110 LEU HBx 1.0 1.8 6.0 66 64 A 114 CYS H A 110 LEU HBy 1.0 1.8 6.0 67 65 A 113 VAL HB A 113 VAL H 1.0 1.8 3.5 68 66 A 113 VAL HGx% A 113 VAL H 1.0 1.8 5.0 69 67 A 113 VAL H A 112 TRP H 1.0 1.8 5.0 70 68 A 114 CYS H A 113 VAL H 1.0 1.8 3.5 71 69 A 112 TRP H A 100 HIS HBx 1.0 1.8 5.0 72 70 A 112 TRP H A 112 TRP HBy 1.0 1.8 3.5 73 71 A 112 TRP H A 112 TRP HBx 1.0 1.8 3.5 74 72 A 111 CYS H A 112 TRP H 1.0 1.8 5.0 75 73 A 111 CYS H A 114 CYS HBy 1.0 1.8 5.0 76 74 A 111 CYS H A 92 CYS HBx 1.0 1.8 5.0 77 75 A 111 CYS H A 114 CYS HBx 1.0 1.8 5.0 78 76 A 111 CYS H A 110 LEU HBy 1.0 1.8 5.0 79 77 A 111 CYS H A 99 LEU HDx% 1.0 1.8 5.0 80 78 A 111 CYS H A 110 LEU HDy% 1.0 1.8 5.0 81 79 A 110 LEU HBx A 110 LEU H 1.0 1.8 3.5 82 80 A 110 LEU H A 109 ALA HA 1.0 1.8 3.5 83 81 A 110 LEU HDy% A 110 LEU H 1.0 1.8 5.0 84 82 A 128 LEU HDx% A 110 LEU H 1.0 1.8 5.0 85 83 A 110 LEU H A 103 CYS H 1.0 1.8 5.0 86 84 A 110 LEU H A 110 LEU HG 1.0 1.8 3.5 87 85 A 109 ALA H A 109 ALA HB% 1.0 1.8 3.5 88 86 A 109 ALA H A 108 LYS HA 1.0 1.8 3.5 89 87 A 109 ALA H A 108 LYS HEx 1.0 1.8 5.0 90 87 A 109 ALA H A 108 LYS HEy 1.0 1.8 5.0 91 88 A 109 ALA H A 108 LYS HBx 1.0 1.8 5.0 92 89 A 109 ALA H A 108 LYS HGy 1.0 1.8 5.0 93 90 A 109 ALA H A 108 LYS HBy 1.0 1.8 5.0 94 91 A 108 LYS H A 108 LYS HBx 1.0 1.8 5.0 95 92 A 108 LYS H A 108 LYS HBy 1.0 1.8 5.0 96 93 A 103 CYS H A 108 LYS H 1.0 1.8 5.0 97 94 A 108 LYS H A 107 GLY H 1.0 1.8 3.5 98 95 A 108 LYS H A 103 CYS HBx 1.0 1.8 5.0 99 96 A 108 LYS H A 103 CYS HBy 1.0 1.8 5.0 100 97 A 107 GLY H A 107 GLY HAx 1.0 1.8 3.5 101 98 A 107 GLY H A 106 ASP HBx 1.0 1.8 5.0 102 99 A 107 GLY H A 103 CYS HBx 1.0 1.8 5.0 103 100 A 107 GLY H A 106 ASP HBy 1.0 1.8 5.0 104 101 A 103 CYS H A 107 GLY H 1.0 1.8 5.0 105 102 A 107 GLY H A 104 GLU HA 1.0 1.8 5.0 106 103 A 106 ASP HBy A 106 ASP H 1.0 1.8 5.0 107 104 A 106 ASP HBx A 106 ASP H 1.0 1.8 3.5 108 105 A 106 ASP H A 105 LYS HGx 1.0 1.8 3.5 109 106 A 104 GLU HA A 106 ASP H 1.0 1.8 5.0 110 107 A 105 LYS HGx A 105 LYS H 1.0 1.8 3.5 111 108 A 106 ASP H A 105 LYS H 1.0 1.8 3.5 112 109 A 104 GLU H A 105 LYS H 1.0 1.8 3.5 113 110 A 105 LYS H A 103 CYS HA 1.0 1.8 5.0 114 111 A 105 LYS H A 104 GLU HBx 1.0 1.8 3.5 115 111 A 105 LYS H A 104 GLU HBy 1.0 1.8 3.5 116 112 A 104 GLU H A 104 GLU HBx 1.0 1.8 3.5 117 112 A 104 GLU H A 104 GLU HBy 1.0 1.8 3.5 118 113 A 104 GLU H A 103 CYS HA 1.0 1.8 3.5 119 114 A 104 GLU H A 104 GLU HGy 1.0 1.8 5.0 120 115 A 104 GLU H A 105 LYS HGx 1.0 1.8 5.0 121 116 A 104 GLU H A 124 ALA HB% 1.0 1.8 5.0 122 117 A 104 GLU H A 104 GLU HGx 1.0 1.8 5.0 123 118 A 125 MET HA A 104 GLU H 1.0 1.8 3.5 124 119 A 103 CYS H A 103 CYS HBx 1.0 1.8 3.5 125 120 A 102 PHE HBy A 103 CYS H 1.0 1.8 5.0 126 121 A 103 CYS H A 110 LEU HG 1.0 1.8 5.0 127 122 A 110 LEU HDy% A 103 CYS H 1.0 1.8 5.0 128 123 A 109 ALA HA A 103 CYS H 1.0 1.8 5.0 129 124 A 103 CYS H A 102 PHE HA 1.0 1.8 3.5 130 125 A 103 CYS H A 103 CYS HBy 1.0 1.8 3.5 131 126 A 102 PHE HBy A 102 PHE H 1.0 1.8 3.5 132 127 A 102 PHE H A 102 PHE HBx 1.0 1.8 3.5 133 128 A 101 LEU HA A 102 PHE H 1.0 1.8 3.5 134 129 A 102 PHE H A 101 LEU HBy 1.0 1.8 5.0 135 130 A 102 PHE H A 128 LEU HG 1.0 1.8 5.0 136 131 A 102 PHE H A 101 LEU HDx% 1.0 1.8 5.0 137 132 A 102 PHE H A 101 LEU HDy% 1.0 1.8 5.0 138 133 A 125 MET HA A 102 PHE H 1.0 1.8 5.0 139 134 A 127 PRO HA A 102 PHE H 1.0 1.8 5.0 140 135 A 126 VAL HGy% A 102 PHE H 1.0 1.8 5.0 141 136 A 128 LEU HBx A 101 LEU H 1.0 1.8 3.5 142 137 A 110 LEU H A 101 LEU H 1.0 1.8 5.0 143 138 A 128 LEU H A 101 LEU H 1.0 1.8 5.0 144 139 A 102 PHE HBx A 101 LEU H 1.0 1.8 5.0 145 140 A 101 LEU H A 101 LEU HDx% 1.0 1.8 5.0 146 141 A 101 LEU H A 101 LEU HDy% 1.0 1.8 5.0 147 142 A 128 LEU HDx% A 101 LEU H 1.0 1.8 5.0 148 143 A 101 LEU HBy A 101 LEU H 1.0 1.8 3.5 149 144 A 100 HIS H A 111 CYS HBx 1.0 1.8 5.0 150 145 A 100 HIS H A 111 CYS HBy 1.0 1.8 5.0 151 146 A 100 HIS H A 111 CYS HA 1.0 1.8 5.0 152 147 A 100 HIS H A 99 LEU HBy 1.0 1.8 5.0 153 148 A 90 GLU H A 91 ARG H 1.0 1.8 5.0 154 149 A 90 GLU H A 91 ARG HA 1.0 1.8 6.0 155 150 A 101 LEU HA A 100 HIS H 1.0 1.8 6.0 156 151 A 100 HIS H A 99 LEU HA 1.0 1.8 3.5 157 152 A 99 LEU HDx% A 100 HIS H 1.0 1.8 5.0 158 153 A 101 LEU H A 100 HIS H 1.0 1.8 5.0 159 154 A 98 ARG HA A 99 LEU H 1.0 1.8 2.7 160 155 A 99 LEU H A 98 ARG HGx 1.0 1.8 3.5 161 155 A 99 LEU H A 98 ARG HGy 1.0 1.8 3.5 162 156 A 99 LEU HBy A 99 LEU H 1.0 1.8 3.5 163 157 A 99 LEU H A 99 LEU HG 1.0 1.8 3.5 164 158 A 99 LEU H A 91 ARG HGx 1.0 1.8 5.0 165 158 A 99 LEU H A 91 ARG HGy 1.0 1.8 5.0 166 159 A 99 LEU H A 99 LEU HBx 1.0 1.8 5.0 167 160 A 99 LEU H A 99 LEU HDy% 1.0 1.8 5.0 168 161 A 91 ARG HA A 99 LEU H 1.0 1.8 3.5 169 162 A 99 LEU H A 98 ARG HDx 1.0 1.8 5.0 170 162 A 99 LEU H A 98 ARG HDy 1.0 1.8 5.0 171 163 A 99 LEU H A 92 CYS H 1.0 1.8 5.0 172 164 A 97 GLU H A 98 ARG H 1.0 1.8 5.0 173 165 A 98 ARG H A 97 GLU HA 1.0 1.8 3.5 174 166 A 98 ARG H A 97 GLU HBy 1.0 1.8 5.0 175 167 A 98 ARG H A 97 GLU HGx 1.0 1.8 6.0 176 168 A 98 ARG H A 97 GLU HGy 1.0 1.8 6.0 177 169 A 98 ARG H A 97 GLU HBx 1.0 1.8 5.0 178 170 A 98 ARG H A 91 ARG HGx 1.0 1.8 5.0 179 170 A 91 ARG HGy A 98 ARG H 1.0 1.8 5.0 180 171 A 97 GLU H A 95 HIS HBx 1.0 1.8 3.5 181 172 A 97 GLU H A 92 CYS HBy 1.0 1.8 5.0 182 173 A 92 CYS HBx A 97 GLU H 1.0 1.8 5.0 183 174 A 97 GLU H A 97 GLU HBy 1.0 1.8 5.0 184 175 A 97 GLU H A 97 GLU HBx 1.0 1.8 5.0 185 176 A 97 GLU H A 97 GLU HGx 1.0 1.8 5.0 186 177 A 97 GLU H A 97 GLU HGy 1.0 1.8 5.0 187 178 A 97 GLU H A 91 ARG HBy 1.0 1.8 5.0 188 179 A 97 GLU H A 96 GLY H 1.0 1.8 3.5 189 180 A 92 CYS H A 97 GLU H 1.0 1.8 5.0 190 181 A 96 GLY H A 96 GLY HAx 1.0 1.8 3.5 191 182 A 96 GLY H A 95 HIS H 1.0 1.8 3.5 192 183 A 92 CYS H A 96 GLY H 1.0 1.8 5.0 193 184 A 96 GLY H A 95 HIS HBy 1.0 1.8 5.0 194 185 A 95 HIS HBx A 96 GLY H 1.0 1.8 5.0 195 186 A 92 CYS HBy A 96 GLY H 1.0 1.8 3.5 196 187 A 95 HIS H A 93 ALA HA 1.0 1.8 5.0 197 188 A 95 HIS HBx A 95 HIS H 1.0 1.8 3.5 198 189 A 95 HIS H A 95 HIS HBy 1.0 1.8 5.0 199 190 A 92 CYS HBy A 95 HIS H 1.0 1.8 5.0 200 191 A 95 HIS H A 94 VAL HB 1.0 1.8 3.5 201 192 A 95 HIS H A 94 VAL HGy% 1.0 1.8 5.0 202 193 A 95 HIS H A 94 VAL HGx% 1.0 1.8 5.0 203 194 A 94 VAL HGx% A 94 VAL H 1.0 1.8 5.0 204 195 A 94 VAL HGy% A 94 VAL H 1.0 1.8 3.5 205 196 A 94 VAL HB A 94 VAL H 1.0 1.8 3.5 206 197 A 94 VAL H A 93 ALA HB% 1.0 1.8 3.5 207 198 A 92 CYS HBy A 94 VAL H 1.0 1.8 5.0 208 199 A 96 GLY H A 94 VAL H 1.0 1.8 5.0 209 200 A 95 HIS H A 94 VAL H 1.0 1.8 3.5 210 201 A 91 ARG HA A 92 CYS H 1.0 1.8 3.5 211 202 A 92 CYS HBx A 92 CYS H 1.0 1.8 2.7 212 203 A 92 CYS H A 91 ARG HBx 1.0 1.8 5.0 213 204 A 92 CYS H A 91 ARG HGx 1.0 1.8 5.0 214 204 A 91 ARG HGy A 92 CYS H 1.0 1.8 5.0 215 205 A 92 CYS H A 91 ARG HBy 1.0 1.8 3.5 216 206 A 99 LEU HDy% A 92 CYS H 1.0 1.8 5.0 217 207 A 91 ARG H A 90 GLU HA 1.0 1.8 3.5 218 208 A 91 ARG H A 90 GLU HBx 1.0 1.8 6.0 219 209 A 91 ARG H A 90 GLU HBy 1.0 1.8 6.0 220 210 A 91 ARG H A 91 ARG HBx 1.0 1.8 3.5 221 211 A 91 ARG H A 91 ARG HGx 1.0 1.8 5.0 222 211 A 91 ARG H A 91 ARG HGy 1.0 1.8 5.0 223 212 A 91 ARG H A 99 LEU HG 1.0 1.8 5.0 224 213 A 90 GLU H A 90 GLU HGy 1.0 1.8 5.0 225 214 A 89 GLY H A 88 GLN HGx 1.0 1.8 5.0 226 214 A 88 GLN HGy A 89 GLY H 1.0 1.8 5.0 227 215 A 89 GLY H A 88 GLN HBx 1.0 1.8 6.0 228 216 A 113 VAL H A 112 TRP HD1 1.0 1.8 6.0 229 217 A 116 GLN H A 113 VAL H 1.0 1.8 6.0 230 218 A 125 MET HE% A 115 ALA H 1.0 1.8 5.0 231 219 A 115 ALA H A 101 LEU HDx% 1.0 1.8 6.0 232 220 A 115 ALA H A 101 LEU HDy% 1.0 1.8 6.0 233 221 A 126 VAL H A 102 PHE HBx 1.0 1.8 6.0 234 222 A 125 MET H A 126 VAL HGx% 1.0 1.8 5.0 235 223 A 99 LEU HDx% A 101 LEU H 1.0 1.8 5.0 236 224 A 100 HIS HBx A 100 HIS H 1.0 1.8 5.0 237 225 A 95 HIS HBx A 94 VAL H 1.0 1.8 6.0 238 226 A 96 GLY H A 94 VAL HB 1.0 1.8 5.0 239 227 A 97 GLU H A 95 HIS H 1.0 1.8 5.0 240 228 A 102 PHE H A 103 CYS H 1.0 1.8 5.0 241 229 A 103 CYS H A 107 GLY HAx 1.0 1.8 5.0 242 230 A 104 GLU H A 103 CYS H 1.0 1.8 5.0 243 231 A 104 GLU H A 125 MET H 1.0 1.8 6.0 244 232 A 107 GLY H A 105 LYS HGy 1.0 1.8 5.0 245 233 A 99 LEU HDx% A 109 ALA H 1.0 1.8 5.0 246 234 A 111 CYS H A 99 LEU HA 1.0 1.8 6.0 247 235 A 116 GLN H A 114 CYS H 1.0 1.8 5.0 248 236 A 117 SER H A 115 ALA H 1.0 1.8 5.0 249 237 A 117 SER H A 113 VAL HA 1.0 1.8 5.0 250 238 A 117 SER H A 115 ALA HB% 1.0 1.8 5.0 251 239 A 128 LEU H A 102 PHE H 1.0 1.8 5.0 252 240 A 128 LEU H A 100 HIS HBx 1.0 1.8 6.0 253 241 A 87 THR HB A 88 GLN H 1.0 1.8 5.0 254 242 A 87 THR H A 87 THR HG2% 1.0 1.8 5.0 255 243 A 89 GLY H A 88 GLN HBy 1.0 1.8 6.0 256 244 A 88 GLN H A 88 GLN HGx 1.0 1.8 5.0 257 244 A 88 GLN HGy A 88 GLN H 1.0 1.8 5.0 258 245 A 89 GLY H A 88 GLN H 1.0 1.8 5.0 259 246 A 90 GLU H A 90 GLU HGx 1.0 1.8 5.0 260 247 A 91 ARG HA A 98 ARG H 1.0 1.8 5.0 261 248 A 90 GLU H A 91 ARG HGx 1.0 1.8 6.0 262 248 A 90 GLU H A 91 ARG HGy 1.0 1.8 6.0 263 249 A 91 ARG H A 92 CYS H 1.0 1.8 5.0 264 250 A 94 VAL H A 92 CYS HA 1.0 1.8 5.0 265 251 A 96 GLY H A 93 ALA HA 1.0 1.8 5.0 266 252 A 96 GLY H A 93 ALA HB% 1.0 1.8 6.0 267 253 A 94 VAL H A 93 ALA H 1.0 1.8 6.0 268 254 A 96 GLY H A 93 ALA H 1.0 1.8 6.0 269 255 A 96 GLY H A 94 VAL HA 1.0 1.8 5.0 270 256 A 97 GLU H A 95 HIS HBy 1.0 1.8 5.0 271 257 A 95 HIS H A 95 HIS HE1 1.0 1.8 6.0 272 258 A 95 HIS H A 92 CYS HA 1.0 1.8 5.0 273 259 A 95 HIS H A 96 GLY HAy 1.0 1.8 6.0 274 260 A 96 GLY HAx A 95 HIS H 1.0 1.8 5.0 275 261 A 91 ARG H A 92 CYS HA 1.0 1.8 6.0 276 262 A 91 ARG H A 98 ARG HA 1.0 1.8 6.0 277 263 A 98 ARG H A 98 ARG HDx 1.0 1.8 5.0 278 263 A 98 ARG HDy A 98 ARG H 1.0 1.8 5.0 279 264 A 98 ARG HA A 92 CYS H 1.0 1.8 5.0 280 265 A 99 LEU HA A 92 CYS H 1.0 1.8 5.0 281 266 A 112 TRP H A 99 LEU HA 1.0 1.8 6.0 282 267 A 99 LEU HBy A 92 CYS H 1.0 1.8 6.0 283 268 A 111 CYS H A 99 LEU HBy 1.0 1.8 6.0 284 269 A 99 LEU HBx A 92 CYS H 1.0 1.8 5.0 285 270 A 110 LEU H A 99 LEU HBx 1.0 1.8 6.0 286 271 A 90 GLU H A 99 LEU HDy% 1.0 1.8 6.0 287 272 A 100 HIS H A 99 LEU HDy% 1.0 1.8 6.0 288 273 A 128 LEU HDx% A 100 HIS H 1.0 1.8 6.0 289 274 A 109 ALA H A 99 LEU HDy% 1.0 1.8 6.0 290 275 A 128 LEU HDx% A 109 ALA H 1.0 1.8 6.0 291 276 A 111 CYS H A 99 LEU HDy% 1.0 1.8 5.0 292 277 A 99 LEU HDx% A 91 ARG H 1.0 1.8 6.0 293 278 A 99 LEU H A 98 ARG H 1.0 1.8 5.0 294 279 A 128 LEU H A 100 HIS HA 1.0 1.8 5.0 295 280 A 101 LEU H A 100 HIS HBy 1.0 1.8 6.0 296 281 A 128 LEU H A 100 HIS HBy 1.0 1.8 6.0 297 282 A 100 HIS HBx A 99 LEU H 1.0 1.8 6.0 298 283 A 100 HIS HBx A 101 LEU H 1.0 1.8 6.0 299 284 A 112 TRP H A 100 HIS H 1.0 1.8 6.0 300 285 A 102 PHE H A 101 LEU HBx 1.0 1.8 6.0 301 286 A 128 LEU HBx A 102 PHE H 1.0 1.8 6.0 302 287 A 110 LEU H A 101 LEU HBx 1.0 1.8 5.0 303 288 A 101 LEU HBy A 100 HIS H 1.0 1.8 5.0 304 289 A 110 LEU H A 101 LEU HBy 1.0 1.8 5.0 305 290 A 111 CYS H A 101 LEU HBy 1.0 1.8 6.0 306 291 A 112 TRP H A 101 LEU HBy 1.0 1.8 6.0 307 292 A 126 VAL H A 101 LEU HDx% 1.0 1.8 6.0 308 293 A 126 VAL H A 101 LEU HDy% 1.0 1.8 6.0 309 294 A 102 PHE H A 101 LEU H 1.0 1.8 5.0 310 295 A 102 PHE HA A 101 LEU H 1.0 1.8 6.0 311 296 A 101 LEU H A 110 LEU HA 1.0 1.8 6.0 312 297 A 126 VAL H A 102 PHE HA 1.0 1.8 6.0 313 298 A 128 LEU H A 102 PHE HBy 1.0 1.8 6.0 314 299 A 102 PHE H A 102 PHE HD% 1.0 1.8 5.0 315 300 A 103 CYS H A 102 PHE HD% 1.0 1.8 6.0 316 301 A 103 CYS H A 102 PHE HE% 1.0 1.8 6.0 317 302 A 102 PHE H A 103 CYS HA 1.0 1.8 6.0 318 303 A 126 VAL H A 103 CYS HA 1.0 1.8 5.0 319 304 A 104 GLU H A 103 CYS HBx 1.0 1.8 5.0 320 305 A 103 CYS HBx A 105 LYS H 1.0 1.8 6.0 321 306 A 105 LYS H A 105 LYS HEx 1.0 1.8 6.0 322 306 A 105 LYS H A 105 LYS HEy 1.0 1.8 6.0 323 307 A 104 GLU H A 103 CYS HBy 1.0 1.8 5.0 324 308 A 103 CYS HBy A 105 LYS H 1.0 1.8 5.0 325 309 A 103 CYS HBy A 106 ASP H 1.0 1.8 5.0 326 310 A 107 GLY H A 103 CYS HBy 1.0 1.8 5.0 327 311 A 107 GLY H A 104 GLU HBx 1.0 1.8 6.0 328 311 A 107 GLY H A 104 GLU HBy 1.0 1.8 6.0 329 312 A 124 ALA H A 104 GLU HBx 1.0 1.8 6.0 330 312 A 124 ALA H A 104 GLU HBy 1.0 1.8 6.0 331 313 A 104 GLU H A 107 GLY H 1.0 1.8 5.0 332 314 A 106 ASP H A 105 LYS HBx 1.0 1.8 5.0 333 315 A 106 ASP H A 105 LYS HDx 1.0 1.8 6.0 334 315 A 106 ASP H A 105 LYS HDy 1.0 1.8 6.0 335 316 A 107 GLY H A 105 LYS HBx 1.0 1.8 6.0 336 317 A 104 GLU H A 105 LYS HBy 1.0 1.8 6.0 337 318 A 105 LYS H A 105 LYS HDx 1.0 1.8 6.0 338 318 A 105 LYS H A 105 LYS HDy 1.0 1.8 6.0 339 319 A 105 LYS H A 105 LYS HGy 1.0 1.8 5.0 340 320 A 108 LYS H A 106 ASP HA 1.0 1.8 6.0 341 321 A 108 LYS H A 106 ASP HBy 1.0 1.8 5.0 342 322 A 108 LYS H A 106 ASP HBx 1.0 1.8 5.0 343 323 A 104 GLU H A 106 ASP H 1.0 1.8 6.0 344 324 A 108 LYS H A 108 LYS HDx 1.0 1.8 5.0 345 324 A 108 LYS H A 108 LYS HDy 1.0 1.8 5.0 346 325 A 109 ALA H A 108 LYS HGx 1.0 1.8 5.0 347 326 A 109 ALA HB% A 101 LEU H 1.0 1.8 5.0 348 327 A 128 LEU HBy A 101 LEU H 1.0 1.8 6.0 349 328 A 109 ALA H A 108 LYS H 1.0 1.8 5.0 350 329 A 111 CYS H A 110 LEU HA 1.0 1.8 3.5 351 330 A 115 ALA H A 110 LEU HBx 1.0 1.8 5.0 352 331 A 110 LEU HDx% A 103 CYS H 1.0 1.8 6.0 353 332 A 111 CYS H A 110 LEU HBx 1.0 1.8 5.0 354 333 A 110 LEU H A 109 ALA H 1.0 1.8 5.0 355 334 A 113 VAL H A 111 CYS HA 1.0 1.8 6.0 356 335 A 114 CYS H A 111 CYS HA 1.0 1.8 6.0 357 336 A 111 CYS H A 110 LEU H 1.0 1.8 6.0 358 337 A 112 TRP HA A 112 TRP HE1 1.0 1.8 6.0 359 338 A 112 TRP HE1 A 116 GLN HA 1.0 1.8 6.0 360 339 A 112 TRP H A 112 TRP HD1 1.0 1.8 6.0 361 340 A 115 ALA H A 112 TRP HD1 1.0 1.8 6.0 362 341 A 113 VAL H A 112 TRP HE3 1.0 1.8 6.0 363 342 A 115 ALA H A 112 TRP H 1.0 1.8 6.0 364 343 A 113 VAL HA A 115 ALA H 1.0 1.8 5.0 365 344 A 116 GLN H A 113 VAL HGx% 1.0 1.8 6.0 366 345 A 112 TRP H A 113 VAL HGy% 1.0 1.8 6.0 367 346 A 114 CYS H A 113 VAL HGy% 1.0 1.8 5.0 368 347 A 117 SER H A 114 CYS HA 1.0 1.8 5.0 369 348 A 117 SER H A 115 ALA HA 1.0 1.8 5.0 370 349 A 115 ALA HB% A 112 TRP H 1.0 1.8 6.0 371 350 A 114 CYS H A 112 TRP H 1.0 1.8 6.0 372 351 A 116 GLN H A 117 SER HA 1.0 1.8 6.0 373 352 A 125 MET H A 124 ALA H 1.0 1.8 5.0 374 353 A 125 MET H A 126 VAL HA 1.0 1.8 6.0 375 354 A 127 PRO HA A 101 LEU H 1.0 1.8 6.0 376 355 A 129 GLU H A 127 PRO HBy 1.0 1.8 5.0 377 356 A 126 VAL H A 127 PRO HDy 1.0 1.8 6.0 378 357 A 126 VAL H A 127 PRO HDx 1.0 1.8 6.0 379 358 A 128 LEU H A 127 PRO HGy 1.0 1.8 6.0 380 359 A 130 GLU HA A 130 GLU HGx 1.0 1.8 5.0 381 359 A 130 GLU HA A 130 GLU HGy 1.0 1.8 5.0 382 360 A 130 GLU H A 130 GLU HGx 1.0 1.8 5.0 383 360 A 130 GLU H A 130 GLU HGy 1.0 1.8 5.0 384 361 A 126 VAL HA A 127 PRO HDx 1.0 1.8 3.5 385 362 A 126 VAL HA A 127 PRO HDy 1.0 1.8 3.5 386 363 A 127 PRO HA A 101 LEU HA 1.0 1.8 3.5 387 364 A 125 MET HA A 126 VAL HGx% 1.0 1.8 5.0 388 365 A 125 MET HA A 126 VAL HGy% 1.0 1.8 5.0 389 366 A 125 MET HA A 103 CYS HA 1.0 1.8 5.0 390 367 A 119 LYS HA A 119 LYS HDx 1.0 1.8 5.0 391 368 A 110 LEU HDx% A 115 ALA HA 1.0 1.8 5.0 392 369 A 110 LEU HBy A 114 CYS HA 1.0 1.8 6.0 393 370 A 113 VAL HA A 116 GLN HGx 1.0 1.8 6.0 394 371 A 113 VAL HA A 116 GLN HGy 1.0 1.8 6.0 395 372 A 113 VAL HA A 112 TRP HE3 1.0 1.8 6.0 396 373 A 111 CYS HA A 101 LEU HBx 1.0 1.8 5.0 397 374 A 109 ALA HA A 102 PHE HA 1.0 1.8 3.5 398 375 A 109 ALA HA A 102 PHE HD% 1.0 1.8 5.0 399 376 A 108 LYS HA A 102 PHE HE% 1.0 1.8 5.0 400 377 A 99 LEU HBy A 91 ARG HA 1.0 1.8 5.0 401 378 A 102 PHE HZ A 107 GLY HAy 1.0 1.8 5.0 402 379 A 107 GLY HAx A 102 PHE HZ 1.0 1.8 5.0 403 380 A 104 GLU HA A 102 PHE HD% 1.0 1.8 5.0 404 381 A 99 LEU HDx% A 100 HIS HA 1.0 1.8 5.0 405 382 A 100 HIS HBx A 99 LEU HA 1.0 1.8 5.0 406 383 A 92 CYS HBx A 99 LEU HA 1.0 1.8 5.0 407 384 A 99 LEU HA A 100 HIS HA 1.0 1.8 5.0 408 385 A 99 LEU HDx% A 99 LEU HA 1.0 1.8 5.0 409 386 A 91 ARG HA A 98 ARG HA 1.0 1.8 3.5 410 387 A 98 ARG HA A 91 ARG HDx 1.0 1.8 6.0 411 388 A 98 ARG HA A 91 ARG HDy 1.0 1.8 6.0 412 389 A 98 ARG HA A 91 ARG HGx 1.0 1.8 5.0 413 389 A 98 ARG HA A 91 ARG HGy 1.0 1.8 5.0 414 390 A 98 ARG HA A 91 ARG HBy 1.0 1.8 5.0 415 391 A 93 ALA HB% A 94 VAL HA 1.0 1.8 5.0 416 392 A 99 LEU HDy% A 92 CYS HA 1.0 1.8 3.5 417 393 A 92 CYS HBx A 91 ARG HA 1.0 1.8 5.0 418 394 A 108 LYS HA A 106 ASP HBy 1.0 1.8 6.0 419 395 A 99 LEU HDy% A 90 GLU HA 1.0 1.8 5.0 420 396 A 128 LEU HA A 102 PHE HBy 1.0 1.8 5.0 421 397 A 128 LEU HDy% A 102 PHE HD% 1.0 1.8 5.0 422 398 A 128 LEU HDy% A 102 PHE HBx 1.0 1.8 5.0 423 399 A 128 LEU HBx A 128 LEU HDx% 1.0 1.8 3.5 424 400 A 128 LEU HDx% A 101 LEU HBy 1.0 1.8 5.0 425 401 A 126 VAL HGx% A 127 PRO HDx 1.0 1.8 5.0 426 402 A 126 VAL HGx% A 127 PRO HDy 1.0 1.8 5.0 427 403 A 127 PRO HGx A 126 VAL HB 1.0 1.8 5.0 428 404 A 126 VAL HGx% A 102 PHE HD% 1.0 1.8 5.0 429 405 A 125 MET HE% A 125 MET HBx 1.0 1.8 5.0 430 406 A 125 MET HE% A 125 MET HBy 1.0 1.8 5.0 431 407 A 125 MET HE% A 125 MET HGy 1.0 1.8 5.0 432 408 A 125 MET HE% A 115 ALA HA 1.0 1.8 3.5 433 409 A 125 MET HE% A 103 CYS HA 1.0 1.8 6.0 434 410 A 124 ALA HB% A 126 VAL HGx% 1.0 1.8 6.0 435 411 A 113 VAL HGx% A 114 CYS HA 1.0 1.8 5.0 436 412 A 94 VAL HGy% A 93 ALA HB% 1.0 1.8 5.0 437 413 A 87 THR HG2% A 87 THR HA 1.0 1.8 3.5 438 414 A 129 GLU HA A 129 GLU HGx 1.0 1.8 5.0 439 414 A 129 GLU HGy A 129 GLU HA 1.0 1.8 5.0 440 415 A 88 GLN HA A 88 GLN HGx 1.0 1.8 5.0 441 415 A 88 GLN HGy A 88 GLN HA 1.0 1.8 5.0 442 416 A 91 ARG HA A 91 ARG HGx 1.0 1.8 5.0 443 416 A 91 ARG HA A 91 ARG HGy 1.0 1.8 5.0 444 417 A 94 VAL HGy% A 94 VAL HA 1.0 1.8 3.5 445 418 A 94 VAL HGx% A 94 VAL HA 1.0 1.8 3.5 446 419 A 98 ARG HA A 98 ARG HDx 1.0 1.8 5.0 447 419 A 98 ARG HA A 98 ARG HDy 1.0 1.8 5.0 448 420 A 105 LYS HGx A 105 LYS HA 1.0 1.8 5.0 449 421 A 113 VAL HA A 113 VAL HGx% 1.0 1.8 3.5 450 422 A 113 VAL HA A 113 VAL HGy% 1.0 1.8 5.0 451 423 A 119 LYS HA A 119 LYS HDy 1.0 1.8 5.0 452 424 A 119 LYS HA A 119 LYS HGx 1.0 1.8 5.0 453 425 A 121 ARG HA A 121 ARG HGx 1.0 1.8 5.0 454 425 A 121 ARG HA A 121 ARG HGy 1.0 1.8 5.0 455 426 A 121 ARG HA A 121 ARG HDx 1.0 1.8 5.0 456 426 A 121 ARG HA A 121 ARG HDy 1.0 1.8 5.0 457 427 A 128 LEU HDy% A 102 PHE HBy 1.0 1.8 5.0 458 428 A 128 LEU HDx% A 109 ALA HA 1.0 1.8 5.0 459 429 A 128 LEU H A 128 LEU HG 1.0 1.8 5.0 460 430 A 126 VAL HB A 127 PRO HDy 1.0 1.8 5.0 461 431 A 126 VAL HB A 127 PRO HDx 1.0 1.8 5.0 462 432 A 102 PHE HBy A 126 VAL HGx% 1.0 1.8 5.0 463 433 A 125 MET HE% A 115 ALA HB% 1.0 1.8 3.5 464 434 A 125 MET HE% A 101 LEU HDx% 1.0 1.8 5.0 465 435 A 125 MET HE% A 101 LEU HDy% 1.0 1.8 5.0 466 436 A 125 MET HE% A 110 LEU HDx% 1.0 1.8 3.5 467 437 A 125 MET HA A 125 MET HE% 1.0 1.8 5.0 468 438 A 125 MET HE% A 101 LEU HBy 1.0 1.8 5.0 469 439 A 124 ALA HB% A 104 GLU HBx 1.0 1.8 5.0 470 439 A 124 ALA HB% A 104 GLU HBy 1.0 1.8 5.0 471 440 A 121 ARG HBx A 121 ARG HDx 1.0 1.8 5.0 472 440 A 121 ARG HBy A 121 ARG HDx 1.0 1.8 5.0 473 440 A 121 ARG HDy A 121 ARG HBx 1.0 1.8 5.0 474 440 A 121 ARG HDy A 121 ARG HBy 1.0 1.8 5.0 475 441 A 121 ARG HBy A 121 ARG HGx 1.0 1.8 3.5 476 441 A 121 ARG HBx A 121 ARG HGx 1.0 1.8 3.5 477 441 A 121 ARG HGy A 121 ARG HBx 1.0 1.8 3.5 478 441 A 121 ARG HGy A 121 ARG HBy 1.0 1.8 3.5 479 442 A 115 ALA HB% A 110 LEU HDx% 1.0 1.8 5.0 480 443 A 110 LEU HBy A 114 CYS HBy 1.0 1.8 5.0 481 444 A 110 LEU HBy A 114 CYS HBx 1.0 1.8 5.0 482 445 A 110 LEU HDx% A 114 CYS HBx 1.0 1.8 5.0 483 446 A 113 VAL H A 113 VAL HGy% 1.0 1.8 5.0 484 447 A 109 ALA HB% A 99 LEU HBx 1.0 1.8 5.0 485 448 A 128 LEU HDx% A 109 ALA HB% 1.0 1.8 3.5 486 449 A 109 ALA HB% A 102 PHE HD% 1.0 1.8 5.0 487 450 A 110 LEU H A 109 ALA HB% 1.0 1.8 5.0 488 451 A 108 LYS HA A 108 LYS HDx 1.0 1.8 5.0 489 451 A 108 LYS HA A 108 LYS HDy 1.0 1.8 5.0 490 452 A 126 VAL HGx% A 104 GLU HGy 1.0 1.8 5.0 491 453 A 126 VAL HGy% A 104 GLU HGy 1.0 1.8 6.0 492 454 A 126 VAL HGx% A 104 GLU HGx 1.0 1.8 5.0 493 455 A 126 VAL HGy% A 104 GLU HGx 1.0 1.8 6.0 494 456 A 110 LEU HDx% A 103 CYS HBx 1.0 1.8 5.0 495 457 A 110 LEU HDx% A 103 CYS HBy 1.0 1.8 5.0 496 458 A 126 VAL HGy% A 102 PHE HBx 1.0 1.8 5.0 497 459 A 101 LEU HBy A 101 LEU HDy% 1.0 1.8 5.0 498 460 A 101 LEU HBy A 101 LEU HDx% 1.0 1.8 5.0 499 461 A 101 LEU HBx A 101 LEU HDx% 1.0 1.8 5.0 500 462 A 127 PRO HBy A 100 HIS HBy 1.0 1.8 6.0 501 463 A 112 TRP H A 100 HIS HBy 1.0 1.8 6.0 502 464 A 95 HIS HBx A 92 CYS HBy 1.0 1.8 5.0 503 465 A 91 ARG HBy A 91 ARG HGx 1.0 1.8 3.5 504 465 A 91 ARG HGy A 91 ARG HBy 1.0 1.8 3.5 505 466 A 91 ARG HGy A 98 ARG HGx 1.0 1.8 3.5 506 466 A 91 ARG HGx A 98 ARG HGx 1.0 1.8 3.5 507 466 A 98 ARG HGy A 91 ARG HGx 1.0 1.8 3.5 508 466 A 98 ARG HGy A 91 ARG HGy 1.0 1.8 3.5 509 467 A 91 ARG HGx A 98 ARG HDx 1.0 1.8 5.0 510 467 A 91 ARG HGy A 98 ARG HDx 1.0 1.8 5.0 511 467 A 98 ARG HDy A 91 ARG HGx 1.0 1.8 5.0 512 467 A 91 ARG HGy A 98 ARG HDy 1.0 1.8 5.0 513 468 A 99 LEU HDy% A 90 GLU HBx 1.0 1.8 5.0 514 469 A 92 CYS HBy A 94 VAL HGy% 1.0 1.8 5.0 515 470 A 99 LEU HBx A 99 LEU HDy% 1.0 1.8 5.0 516 471 A 109 ALA HB% A 99 LEU HDy% 1.0 1.8 5.0 517 472 A 99 LEU HBy A 99 LEU HDy% 1.0 1.8 5.0 518 473 A 99 LEU HDy% A 90 GLU HBy 1.0 1.8 5.0 519 474 A 99 LEU HDx% A 99 LEU HBx 1.0 1.8 5.0 520 475 A 99 LEU HDx% A 109 ALA HB% 1.0 1.8 3.5 521 476 A 99 LEU HDx% A 99 LEU HBy 1.0 1.8 5.0 522 477 A 100 HIS HBx A 99 LEU HDx% 1.0 1.8 5.0 523 478 A 99 LEU HDx% A 110 LEU HA 1.0 1.8 5.0 524 479 A 99 LEU HDx% A 92 CYS H 1.0 1.8 5.0 525 480 A 110 LEU HDx% A 110 LEU HBy 1.0 1.8 5.0 526 481 A 110 LEU HDx% A 110 LEU HBx 1.0 1.8 5.0 527 482 A 110 LEU HDy% A 103 CYS HBx 1.0 1.8 5.0 528 483 A 110 LEU HDy% A 114 CYS HBx 1.0 1.8 6.0 529 484 A 110 LEU HDy% A 110 LEU HA 1.0 1.8 5.0 530 485 A 115 ALA HB% A 112 TRP HA 1.0 1.8 3.5 531 486 A 126 VAL H A 126 VAL HGx% 1.0 1.8 5.0 532 487 A 91 ARG HBy A 92 CYS HA 1.0 1.8 6.0 533 488 A 99 LEU HG A 92 CYS HA 1.0 1.8 6.0 534 489 A 101 LEU HBx A 101 LEU HDy% 1.0 1.8 5.0 535 490 A 125 MET HE% A 103 CYS H 1.0 1.8 6.0 536 491 A 125 MET H A 125 MET HE% 1.0 1.8 6.0 537 492 A 87 THR HA A 86 GLY HAx 1.0 1.8 5.0 538 492 A 87 THR HA A 86 GLY HAy 1.0 1.8 5.0 539 493 A 91 ARG HA A 90 GLU HA 1.0 1.8 5.0 540 494 A 90 GLU HA A 91 ARG HGx 1.0 1.8 5.0 541 494 A 91 ARG HGy A 90 GLU HA 1.0 1.8 5.0 542 495 A 99 LEU HG A 90 GLU HBx 1.0 1.8 6.0 543 496 A 99 LEU HG A 90 GLU HBy 1.0 1.8 6.0 544 497 A 91 ARG HA A 99 LEU HBx 1.0 1.8 5.0 545 498 A 91 ARG HA A 99 LEU HDy% 1.0 1.8 5.0 546 499 A 99 LEU HDx% A 91 ARG HA 1.0 1.8 5.0 547 500 A 96 GLY HAx A 91 ARG HBx 1.0 1.8 5.0 548 501 A 91 ARG HBy A 96 GLY HAx 1.0 1.8 5.0 549 502 A 93 ALA HA A 92 CYS HA 1.0 1.8 5.0 550 503 A 92 CYS HBx A 111 CYS HBy 1.0 1.8 5.0 551 504 A 92 CYS HBy A 95 HIS HBy 1.0 1.8 5.0 552 505 A 92 CYS HBx A 111 CYS HBx 1.0 1.8 5.0 553 506 A 93 ALA HA A 94 VAL HA 1.0 1.8 5.0 554 507 A 99 LEU HA A 98 ARG HA 1.0 1.8 6.0 555 508 A 96 GLY HAx A 93 ALA HA 1.0 1.8 5.0 556 509 A 95 HIS HBx A 97 GLU HGx 1.0 1.8 6.0 557 510 A 95 HIS HBx A 97 GLU HGy 1.0 1.8 6.0 558 511 A 95 HIS HBy A 97 GLU HGx 1.0 1.8 6.0 559 512 A 95 HIS HBy A 97 GLU HGy 1.0 1.8 6.0 560 513 A 98 ARG H A 98 ARG HGx 1.0 1.8 5.0 561 513 A 98 ARG HGy A 98 ARG H 1.0 1.8 5.0 562 514 A 98 ARG HA A 98 ARG HGx 1.0 1.8 5.0 563 514 A 98 ARG HA A 98 ARG HGy 1.0 1.8 5.0 564 515 A 111 CYS HA A 99 LEU HA 1.0 1.8 5.0 565 516 A 111 CYS HA A 99 LEU HBy 1.0 1.8 5.0 566 517 A 100 HIS H A 99 LEU HBx 1.0 1.8 5.0 567 518 A 111 CYS HA A 99 LEU HBx 1.0 1.8 5.0 568 519 A 99 LEU HG A 100 HIS HA 1.0 1.8 5.0 569 520 A 109 ALA HB% A 99 LEU HG 1.0 1.8 5.0 570 521 A 101 LEU HA A 102 PHE HBx 1.0 1.8 5.0 571 522 A 110 LEU HBx A 101 LEU HBx 1.0 1.8 5.0 572 523 A 110 LEU HDx% A 101 LEU HBx 1.0 1.8 6.0 573 524 A 115 ALA HB% A 101 LEU HBx 1.0 1.8 5.0 574 525 A 110 LEU HBx A 101 LEU HBy 1.0 1.8 5.0 575 526 A 101 LEU HBy A 111 CYS HA 1.0 1.8 5.0 576 527 A 110 LEU HG A 101 LEU HBy 1.0 1.8 5.0 577 528 A 110 LEU HDx% A 101 LEU HDx% 1.0 1.8 5.0 578 529 A 110 LEU HDx% A 101 LEU HDy% 1.0 1.8 5.0 579 530 A 102 PHE HD% A 104 GLU HGy 1.0 1.8 6.0 580 531 A 102 PHE HD% A 104 GLU HGx 1.0 1.8 6.0 581 532 A 107 GLY HAx A 102 PHE HE% 1.0 1.8 5.0 582 533 A 104 GLU HA A 102 PHE HZ 1.0 1.8 6.0 583 534 A 103 CYS HA A 102 PHE HA 1.0 1.8 5.0 584 535 A 109 ALA HB% A 102 PHE HA 1.0 1.8 5.0 585 536 A 109 ALA HB% A 110 LEU HA 1.0 1.8 6.0 586 537 A 128 LEU HDy% A 102 PHE HA 1.0 1.8 5.0 587 538 A 128 LEU HDx% A 102 PHE HA 1.0 1.8 5.0 588 539 A 128 LEU HA A 102 PHE HBx 1.0 1.8 5.0 589 540 A 102 PHE HBy A 126 VAL HGy% 1.0 1.8 5.0 590 541 A 103 CYS HA A 104 GLU HBx 1.0 1.8 5.0 591 541 A 103 CYS HA A 104 GLU HBy 1.0 1.8 5.0 592 542 A 103 CYS HBx A 102 PHE HA 1.0 1.8 5.0 593 543 A 103 CYS HBx A 106 ASP HBy 1.0 1.8 3.5 594 544 A 103 CYS HBx A 106 ASP HBx 1.0 1.8 5.0 595 545 A 103 CYS HBy A 106 ASP HBx 1.0 1.8 5.0 596 546 A 103 CYS HBy A 107 GLY HAx 1.0 1.8 5.0 597 547 A 107 GLY HAx A 104 GLU HA 1.0 1.8 5.0 598 548 A 106 ASP HA A 105 LYS HA 1.0 1.8 5.0 599 549 A 107 GLY H A 105 LYS HA 1.0 1.8 5.0 600 550 A 105 LYS HBx A 106 ASP HA 1.0 1.8 5.0 601 551 A 108 LYS HA A 107 GLY HAy 1.0 1.8 5.0 602 552 A 108 LYS HA A 107 GLY HAx 1.0 1.8 5.0 603 553 A 109 ALA HA A 108 LYS HA 1.0 1.8 5.0 604 554 A 109 ALA HB% A 108 LYS HA 1.0 1.8 5.0 605 555 A 109 ALA HA A 110 LEU HG 1.0 1.8 5.0 606 556 A 109 ALA HB% A 128 LEU HG 1.0 1.8 6.0 607 557 A 110 LEU HA A 114 CYS HBy 1.0 1.8 6.0 608 558 A 110 LEU HA A 114 CYS HBx 1.0 1.8 6.0 609 559 A 110 LEU HBx A 111 CYS HA 1.0 1.8 6.0 610 560 A 110 LEU HBy A 111 CYS HA 1.0 1.8 6.0 611 561 A 110 LEU HDy% A 114 CYS HBy 1.0 1.8 6.0 612 562 A 110 LEU HDx% A 114 CYS HBy 1.0 1.8 5.0 613 563 A 112 TRP HA A 111 CYS HA 1.0 1.8 5.0 614 564 A 113 VAL HA A 112 TRP HA 1.0 1.8 5.0 615 565 A 114 CYS HA A 115 ALA HA 1.0 1.8 5.0 616 566 A 114 CYS HA A 117 SER HBy 1.0 1.8 5.0 617 567 A 114 CYS HA A 117 SER HBx 1.0 1.8 5.0 618 568 A 115 ALA HA A 114 CYS HBy 1.0 1.8 6.0 619 569 A 115 ALA HA A 114 CYS HBx 1.0 1.8 6.0 620 570 A 119 LYS HA A 119 LYS HGy 1.0 1.8 5.0 621 571 A 125 MET HA A 124 ALA HA 1.0 1.8 5.0 622 572 A 125 MET HA A 126 VAL HA 1.0 1.8 5.0 623 573 A 125 MET HE% A 125 MET HGx 1.0 1.8 5.0 624 574 A 127 PRO HGx A 126 VAL HA 1.0 1.8 5.0 625 575 A 126 VAL HA A 127 PRO HGy 1.0 1.8 6.0 626 576 A 127 PRO HA A 126 VAL HGy% 1.0 1.8 5.0 627 577 A 126 VAL HGy% A 127 PRO HGy 1.0 1.8 6.0 628 578 A 129 GLU HA A 128 LEU HA 1.0 1.8 5.0 629 579 A 129 GLU HA A 130 GLU HA 1.0 1.8 5.0 630 580 A 126 VAL HGx% A 126 VAL HA 1.0 1.8 3.5 631 581 A 126 VAL HGy% A 126 VAL HA 1.0 1.8 5.0 632 582 A 128 LEU HA A 128 LEU HDy% 1.0 1.8 3.5 633 583 A 128 LEU HA A 128 LEU HG 1.0 1.8 5.0 634 584 A 128 LEU HBy A 128 LEU HDy% 1.0 1.8 5.0 635 585 A 128 LEU HBy A 128 LEU HDx% 1.0 1.8 5.0 636 586 A 126 VAL HGy% A 102 PHE HD% 1.0 1.8 5.0 637 587 A 104 GLU HA A 102 PHE HE% 1.0 1.8 5.0 638 588 A 94 VAL HB A 95 HIS HE1 1.0 1.8 5.0 639 589 A 94 VAL HGy% A 95 HIS HE1 1.0 1.8 5.0 640 590 A 113 VAL HB A 95 HIS HE1 1.0 1.8 5.0 641 591 A 94 VAL HGx% A 95 HIS HE1 1.0 1.8 5.0 642 592 A 113 VAL HGx% A 95 HIS HE1 1.0 1.8 5.0 643 593 A 112 TRP HA A 112 TRP HD1 1.0 1.8 3.5 644 594 A 115 ALA HB% A 112 TRP HD1 1.0 1.8 5.0 645 595 A 120 HIS HE1 A 119 LYS HEx 1.0 1.8 5.0 646 595 A 119 LYS HEy A 120 HIS HE1 1.0 1.8 5.0 647 596 A 88 GLN HA A 89 GLY HAx 1.0 1.8 5.0 648 596 A 88 GLN HA A 89 GLY HAy 1.0 1.8 5.0 649 597 A 90 GLU HA A 90 GLU HGx 1.0 1.8 5.0 650 597 A 90 GLU HA A 90 GLU HGy 1.0 1.8 5.0 651 598 A 91 ARG H A 90 GLU HBy 1.0 1.8 5.0 652 598 A 91 ARG H A 90 GLU HBx 1.0 1.8 5.0 653 599 A 99 LEU HG A 90 GLU HBy 1.0 1.8 5.0 654 599 A 99 LEU HG A 90 GLU HBx 1.0 1.8 5.0 655 600 A 99 LEU HDy% A 90 GLU HBy 1.0 1.8 5.0 656 600 A 99 LEU HDy% A 90 GLU HBx 1.0 1.8 5.0 657 601 A 91 ARG HGx A 98 ARG HBx 1.0 1.8 5.0 658 601 A 91 ARG HGy A 98 ARG HBx 1.0 1.8 5.0 659 601 A 98 ARG HBy A 91 ARG HGx 1.0 1.8 5.0 660 601 A 91 ARG HGy A 98 ARG HBy 1.0 1.8 5.0 661 602 A 98 ARG HA A 91 ARG HDx 1.0 1.8 5.0 662 602 A 98 ARG HA A 91 ARG HDy 1.0 1.8 5.0 663 603 A 92 CYS H A 111 CYS HBy 1.0 1.8 5.0 664 603 A 92 CYS H A 111 CYS HBx 1.0 1.8 5.0 665 604 A 95 HIS HBx A 97 GLU HBy 1.0 1.8 5.0 666 604 A 95 HIS HBx A 97 GLU HBx 1.0 1.8 5.0 667 605 A 95 HIS HBx A 97 GLU HGx 1.0 1.8 5.0 668 605 A 95 HIS HBx A 97 GLU HGy 1.0 1.8 5.0 669 606 A 95 HIS HBy A 97 GLU HBy 1.0 1.8 5.0 670 606 A 95 HIS HBy A 97 GLU HBx 1.0 1.8 5.0 671 607 A 95 HIS HBy A 97 GLU HGx 1.0 1.8 5.0 672 607 A 95 HIS HBy A 97 GLU HGy 1.0 1.8 5.0 673 608 A 96 GLY H A 97 GLU HGx 1.0 1.8 5.0 674 608 A 96 GLY H A 97 GLU HGy 1.0 1.8 5.0 675 609 A 97 GLU H A 97 GLU HBy 1.0 1.8 3.5 676 609 A 97 GLU H A 97 GLU HBx 1.0 1.8 3.5 677 610 A 97 GLU H A 97 GLU HGx 1.0 1.8 3.5 678 610 A 97 GLU H A 97 GLU HGy 1.0 1.8 3.5 679 611 A 98 ARG H A 97 GLU HBy 1.0 1.8 3.5 680 611 A 98 ARG H A 97 GLU HBx 1.0 1.8 3.5 681 612 A 98 ARG H A 97 GLU HGx 1.0 1.8 5.0 682 612 A 98 ARG H A 97 GLU HGy 1.0 1.8 5.0 683 613 A 113 VAL HGy% A 97 GLU HGx 1.0 1.8 5.0 684 613 A 113 VAL HGy% A 97 GLU HGy 1.0 1.8 5.0 685 614 A 98 ARG H A 98 ARG HBx 1.0 1.8 3.5 686 614 A 98 ARG H A 98 ARG HBy 1.0 1.8 3.5 687 615 A 99 LEU H A 111 CYS HBy 1.0 1.8 6.0 688 615 A 99 LEU H A 111 CYS HBx 1.0 1.8 6.0 689 616 A 99 LEU HA A 111 CYS HBy 1.0 1.8 5.0 690 616 A 99 LEU HA A 111 CYS HBx 1.0 1.8 5.0 691 617 A 100 HIS H A 101 LEU HDy% 1.0 1.8 6.0 692 617 A 100 HIS H A 101 LEU HDx% 1.0 1.8 6.0 693 618 A 100 HIS H A 111 CYS HBy 1.0 1.8 5.0 694 618 A 100 HIS H A 111 CYS HBx 1.0 1.8 5.0 695 619 A 101 LEU H A 101 LEU HDy% 1.0 1.8 5.0 696 619 A 101 LEU H A 101 LEU HDx% 1.0 1.8 5.0 697 620 A 101 LEU HA A 101 LEU HDy% 1.0 1.8 3.5 698 620 A 101 LEU HA A 101 LEU HDx% 1.0 1.8 3.5 699 621 A 102 PHE H A 101 LEU HDy% 1.0 1.8 5.0 700 621 A 102 PHE H A 101 LEU HDx% 1.0 1.8 5.0 701 622 A 102 PHE HA A 101 LEU HDy% 1.0 1.8 3.5 702 622 A 102 PHE HA A 101 LEU HDx% 1.0 1.8 3.5 703 623 A 103 CYS H A 101 LEU HDy% 1.0 1.8 5.0 704 623 A 103 CYS H A 101 LEU HDx% 1.0 1.8 5.0 705 624 A 103 CYS HA A 101 LEU HDy% 1.0 1.8 5.0 706 624 A 103 CYS HA A 101 LEU HDx% 1.0 1.8 5.0 707 625 A 110 LEU H A 101 LEU HDy% 1.0 1.8 5.0 708 625 A 110 LEU H A 101 LEU HDx% 1.0 1.8 5.0 709 626 A 110 LEU HBx A 101 LEU HDy% 1.0 1.8 5.0 710 626 A 110 LEU HBx A 101 LEU HDx% 1.0 1.8 5.0 711 627 A 110 LEU HG A 101 LEU HDy% 1.0 1.8 5.0 712 627 A 110 LEU HG A 101 LEU HDx% 1.0 1.8 5.0 713 628 A 110 LEU HDx% A 101 LEU HDy% 1.0 1.8 5.0 714 628 A 110 LEU HDx% A 101 LEU HDx% 1.0 1.8 5.0 715 629 A 112 TRP HA A 101 LEU HDy% 1.0 1.8 5.0 716 629 A 112 TRP HA A 101 LEU HDx% 1.0 1.8 5.0 717 630 A 115 ALA HB% A 101 LEU HDy% 1.0 1.8 3.5 718 630 A 115 ALA HB% A 101 LEU HDx% 1.0 1.8 3.5 719 631 A 125 MET H A 101 LEU HDy% 1.0 1.8 6.0 720 631 A 125 MET H A 101 LEU HDx% 1.0 1.8 6.0 721 632 A 101 LEU HDy% A 125 MET HBx 1.0 1.8 5.0 722 632 A 101 LEU HDx% A 125 MET HBx 1.0 1.8 5.0 723 632 A 125 MET HBy A 101 LEU HDy% 1.0 1.8 5.0 724 632 A 101 LEU HDx% A 125 MET HBy 1.0 1.8 5.0 725 633 A 101 LEU HDx% A 125 MET HGy 1.0 1.8 5.0 726 633 A 101 LEU HDy% A 125 MET HGy 1.0 1.8 5.0 727 633 A 125 MET HGx A 101 LEU HDy% 1.0 1.8 5.0 728 633 A 101 LEU HDx% A 125 MET HGx 1.0 1.8 5.0 729 634 A 125 MET HE% A 101 LEU HDy% 1.0 1.8 5.0 730 634 A 125 MET HE% A 101 LEU HDx% 1.0 1.8 5.0 731 635 A 126 VAL H A 101 LEU HDy% 1.0 1.8 5.0 732 635 A 126 VAL H A 101 LEU HDx% 1.0 1.8 5.0 733 636 A 126 VAL HA A 101 LEU HDy% 1.0 1.8 5.0 734 636 A 126 VAL HA A 101 LEU HDx% 1.0 1.8 5.0 735 637 A 126 VAL HGy% A 101 LEU HDy% 1.0 1.8 5.0 736 637 A 126 VAL HGy% A 101 LEU HDx% 1.0 1.8 5.0 737 638 A 127 PRO HA A 101 LEU HDy% 1.0 1.8 3.5 738 638 A 127 PRO HA A 101 LEU HDx% 1.0 1.8 3.5 739 639 A 101 LEU HDy% A 127 PRO HDy 1.0 1.8 5.0 740 639 A 101 LEU HDx% A 127 PRO HDy 1.0 1.8 5.0 741 639 A 127 PRO HDx A 101 LEU HDy% 1.0 1.8 5.0 742 639 A 101 LEU HDx% A 127 PRO HDx 1.0 1.8 5.0 743 640 A 128 LEU H A 101 LEU HDy% 1.0 1.8 5.0 744 640 A 128 LEU H A 101 LEU HDx% 1.0 1.8 5.0 745 641 A 102 PHE HD% A 104 GLU HGx 1.0 1.8 5.0 746 641 A 102 PHE HD% A 104 GLU HGy 1.0 1.8 5.0 747 642 A 103 CYS HA A 125 MET HGy 1.0 1.8 5.0 748 642 A 103 CYS HA A 125 MET HGx 1.0 1.8 5.0 749 643 A 103 CYS HBy A 108 LYS HBx 1.0 1.8 5.0 750 643 A 103 CYS HBy A 108 LYS HBy 1.0 1.8 5.0 751 644 A 104 GLU H A 104 GLU HGx 1.0 1.8 3.5 752 644 A 104 GLU H A 104 GLU HGy 1.0 1.8 3.5 753 645 A 104 GLU HA A 104 GLU HGx 1.0 1.8 3.5 754 645 A 104 GLU HA A 104 GLU HGy 1.0 1.8 3.5 755 646 A 105 LYS H A 104 GLU HGx 1.0 1.8 5.0 756 646 A 105 LYS H A 104 GLU HGy 1.0 1.8 5.0 757 647 A 124 ALA HB% A 104 GLU HGx 1.0 1.8 5.0 758 647 A 124 ALA HB% A 104 GLU HGy 1.0 1.8 5.0 759 648 A 125 MET HA A 104 GLU HGx 1.0 1.8 5.0 760 648 A 125 MET HA A 104 GLU HGy 1.0 1.8 5.0 761 649 A 126 VAL H A 104 GLU HGx 1.0 1.8 5.0 762 649 A 126 VAL H A 104 GLU HGy 1.0 1.8 5.0 763 650 A 126 VAL HGy% A 104 GLU HGx 1.0 1.8 5.0 764 650 A 126 VAL HGy% A 104 GLU HGy 1.0 1.8 5.0 765 651 A 107 GLY H A 108 LYS HBx 1.0 1.8 5.0 766 651 A 107 GLY H A 108 LYS HBy 1.0 1.8 5.0 767 652 A 108 LYS H A 108 LYS HBx 1.0 1.8 3.5 768 652 A 108 LYS H A 108 LYS HBy 1.0 1.8 3.5 769 653 A 108 LYS H A 108 LYS HGy 1.0 1.8 5.0 770 653 A 108 LYS H A 108 LYS HGx 1.0 1.8 5.0 771 654 A 108 LYS HA A 108 LYS HGy 1.0 1.8 5.0 772 654 A 108 LYS HA A 108 LYS HGx 1.0 1.8 5.0 773 655 A 108 LYS HBy A 108 LYS HDx 1.0 1.8 3.5 774 655 A 108 LYS HBx A 108 LYS HDx 1.0 1.8 3.5 775 655 A 108 LYS HDy A 108 LYS HBx 1.0 1.8 3.5 776 655 A 108 LYS HDy A 108 LYS HBy 1.0 1.8 3.5 777 656 A 109 ALA H A 108 LYS HBx 1.0 1.8 3.5 778 656 A 109 ALA H A 108 LYS HBy 1.0 1.8 3.5 779 657 A 109 ALA HB% A 108 LYS HBx 1.0 1.8 5.0 780 657 A 109 ALA HB% A 108 LYS HBy 1.0 1.8 5.0 781 658 A 110 LEU HDy% A 108 LYS HBx 1.0 1.8 5.0 782 658 A 110 LEU HDy% A 108 LYS HBy 1.0 1.8 5.0 783 659 A 109 ALA H A 108 LYS HGy 1.0 1.8 5.0 784 659 A 109 ALA H A 108 LYS HGx 1.0 1.8 5.0 785 660 A 110 LEU HA A 114 CYS HBy 1.0 1.8 5.0 786 660 A 110 LEU HA A 114 CYS HBx 1.0 1.8 5.0 787 661 A 110 LEU HBx A 114 CYS HBy 1.0 1.8 5.0 788 661 A 110 LEU HBx A 114 CYS HBx 1.0 1.8 5.0 789 662 A 110 LEU HBy A 114 CYS HBy 1.0 1.8 5.0 790 662 A 110 LEU HBy A 114 CYS HBx 1.0 1.8 5.0 791 663 A 110 LEU HDx% A 114 CYS HBy 1.0 1.8 5.0 792 663 A 110 LEU HDx% A 114 CYS HBx 1.0 1.8 5.0 793 664 A 110 LEU HDx% A 125 MET HGy 1.0 1.8 6.0 794 664 A 110 LEU HDx% A 125 MET HGx 1.0 1.8 6.0 795 665 A 110 LEU HDy% A 114 CYS HBy 1.0 1.8 5.0 796 665 A 110 LEU HDy% A 114 CYS HBx 1.0 1.8 5.0 797 666 A 111 CYS H A 114 CYS HBy 1.0 1.8 3.5 798 666 A 111 CYS H A 114 CYS HBx 1.0 1.8 3.5 799 667 A 113 VAL H A 111 CYS HBy 1.0 1.8 5.0 800 667 A 113 VAL H A 111 CYS HBx 1.0 1.8 5.0 801 668 A 112 TRP H A 112 TRP HBx 1.0 1.8 3.5 802 668 A 112 TRP H A 112 TRP HBy 1.0 1.8 3.5 803 669 A 112 TRP HD1 A 112 TRP HBx 1.0 1.8 3.5 804 669 A 112 TRP HD1 A 112 TRP HBy 1.0 1.8 3.5 805 670 A 113 VAL H A 112 TRP HBx 1.0 1.8 5.0 806 670 A 113 VAL H A 112 TRP HBy 1.0 1.8 5.0 807 671 A 114 CYS H A 112 TRP HBx 1.0 1.8 5.0 808 671 A 114 CYS H A 112 TRP HBy 1.0 1.8 5.0 809 672 A 112 TRP HE1 A 116 GLN HBy 1.0 1.8 6.0 810 672 A 112 TRP HE1 A 116 GLN HBx 1.0 1.8 6.0 811 673 A 112 TRP HE1 A 116 GLN HGx 1.0 1.8 5.0 812 673 A 112 TRP HE1 A 116 GLN HGy 1.0 1.8 5.0 813 674 A 113 VAL H A 116 GLN HGx 1.0 1.8 6.0 814 674 A 113 VAL H A 116 GLN HGy 1.0 1.8 6.0 815 675 A 113 VAL HA A 116 GLN HBy 1.0 1.8 5.0 816 675 A 113 VAL HA A 116 GLN HBx 1.0 1.8 5.0 817 676 A 113 VAL HA A 116 GLN HGx 1.0 1.8 5.0 818 676 A 113 VAL HA A 116 GLN HGy 1.0 1.8 5.0 819 677 A 114 CYS H A 114 CYS HBy 1.0 1.8 3.5 820 677 A 114 CYS H A 114 CYS HBx 1.0 1.8 3.5 821 678 A 114 CYS HA A 117 SER HBx 1.0 1.8 5.0 822 678 A 114 CYS HA A 117 SER HBy 1.0 1.8 5.0 823 679 A 115 ALA H A 114 CYS HBy 1.0 1.8 3.5 824 679 A 115 ALA H A 114 CYS HBx 1.0 1.8 3.5 825 680 A 116 GLN H A 114 CYS HBy 1.0 1.8 6.0 826 680 A 116 GLN H A 114 CYS HBx 1.0 1.8 6.0 827 681 A 115 ALA HB% A 116 GLN HBy 1.0 1.8 6.0 828 681 A 115 ALA HB% A 116 GLN HBx 1.0 1.8 6.0 829 682 A 115 ALA HB% A 116 GLN HGx 1.0 1.8 5.0 830 682 A 115 ALA HB% A 116 GLN HGy 1.0 1.8 5.0 831 683 A 115 ALA HB% A 125 MET HBx 1.0 1.8 5.0 832 683 A 115 ALA HB% A 125 MET HBy 1.0 1.8 5.0 833 684 A 116 GLN H A 116 GLN HBy 1.0 1.8 3.5 834 684 A 116 GLN H A 116 GLN HBx 1.0 1.8 3.5 835 685 A 116 GLN H A 116 GLN HGx 1.0 1.8 3.5 836 685 A 116 GLN H A 116 GLN HGy 1.0 1.8 3.5 837 686 A 116 GLN H A 117 SER HBx 1.0 1.8 5.0 838 686 A 116 GLN H A 117 SER HBy 1.0 1.8 5.0 839 687 A 116 GLN HA A 116 GLN HGx 1.0 1.8 5.0 840 687 A 116 GLN HA A 116 GLN HGy 1.0 1.8 5.0 841 688 A 117 SER H A 116 GLN HBy 1.0 1.8 5.0 842 688 A 117 SER H A 116 GLN HBx 1.0 1.8 5.0 843 689 A 117 SER H A 117 SER HBx 1.0 1.8 3.5 844 689 A 117 SER H A 117 SER HBy 1.0 1.8 3.5 845 690 A 119 LYS HA A 119 LYS HGy 1.0 1.8 3.5 846 690 A 119 LYS HA A 119 LYS HGx 1.0 1.8 3.5 847 691 A 119 LYS HA A 119 LYS HDx 1.0 1.8 3.5 848 691 A 119 LYS HA A 119 LYS HDy 1.0 1.8 3.5 849 692 A 120 HIS HE1 A 119 LYS HBx 1.0 1.8 5.0 850 692 A 120 HIS HE1 A 119 LYS HBy 1.0 1.8 5.0 851 693 A 120 HIS HE1 A 119 LYS HDx 1.0 1.8 5.0 852 693 A 120 HIS HE1 A 119 LYS HDy 1.0 1.8 5.0 853 694 A 123 HIS H A 125 MET HGy 1.0 1.8 5.0 854 694 A 123 HIS H A 125 MET HGx 1.0 1.8 5.0 855 695 A 124 ALA HB% A 125 MET HGy 1.0 1.8 6.0 856 695 A 124 ALA HB% A 125 MET HGx 1.0 1.8 6.0 857 696 A 125 MET H A 125 MET HBx 1.0 1.8 3.5 858 696 A 125 MET H A 125 MET HBy 1.0 1.8 3.5 859 697 A 125 MET H A 125 MET HGy 1.0 1.8 3.5 860 697 A 125 MET H A 125 MET HGx 1.0 1.8 3.5 861 698 A 125 MET HA A 125 MET HGy 1.0 1.8 5.0 862 698 A 125 MET HA A 125 MET HGx 1.0 1.8 5.0 863 699 A 125 MET HE% A 125 MET HBx 1.0 1.8 3.5 864 699 A 125 MET HE% A 125 MET HBy 1.0 1.8 3.5 865 700 A 126 VAL H A 125 MET HBx 1.0 1.8 5.0 866 700 A 126 VAL H A 125 MET HBy 1.0 1.8 5.0 867 701 A 126 VAL HA A 125 MET HBx 1.0 1.8 6.0 868 701 A 126 VAL HA A 125 MET HBy 1.0 1.8 6.0 869 702 A 126 VAL HGy% A 125 MET HBx 1.0 1.8 6.0 870 702 A 126 VAL HGy% A 125 MET HBy 1.0 1.8 6.0 871 703 A 125 MET HE% A 125 MET HGy 1.0 1.8 3.5 872 703 A 125 MET HE% A 125 MET HGx 1.0 1.8 3.5 873 704 A 126 VAL H A 127 PRO HDy 1.0 1.8 5.0 874 704 A 126 VAL H A 127 PRO HDx 1.0 1.8 5.0 875 705 A 126 VAL HA A 127 PRO HDy 1.0 1.8 3.5 876 705 A 126 VAL HA A 127 PRO HDx 1.0 1.8 3.5 877 706 A 126 VAL HB A 127 PRO HDy 1.0 1.8 3.5 878 706 A 126 VAL HB A 127 PRO HDx 1.0 1.8 3.5 879 707 A 126 VAL HGy% A 127 PRO HDy 1.0 1.8 5.0 880 707 A 126 VAL HGy% A 127 PRO HDx 1.0 1.8 5.0 881 708 A 129 GLU H A 129 GLU HBy 1.0 1.8 3.5 882 708 A 129 GLU H A 129 GLU HBx 1.0 1.8 3.5 883 709 A 130 GLU H A 130 GLU HBy 1.0 1.8 3.5 884 709 A 130 GLU H A 130 GLU HBx 1.0 1.8 3.5 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 90 GLU C A 91 ARG N A 91 ARG CA A 91 ARG C 1.0 -169.6 -74.8 PHI 2 2 A 91 ARG N A 91 ARG CA A 91 ARG C A 92 CYS N 1.0 109.2 170.4 PSI 3 3 A 91 ARG C A 92 CYS N A 92 CYS CA A 92 CYS C 1.0 -102.8 -36.0 PHI 4 4 A 92 CYS N A 92 CYS CA A 92 CYS C A 93 ALA N 1.0 103.5 143.3 PSI 5 5 A 92 CYS C A 93 ALA N A 93 ALA CA A 93 ALA C 1.0 -74.0 -44.0 PHI 6 6 A 93 ALA N A 93 ALA CA A 93 ALA C A 94 VAL N 1.0 -62.9 10.1 PSI 7 7 A 93 ALA C A 94 VAL N A 94 VAL CA A 94 VAL C 1.0 -103.0 -35.4 PHI 8 8 A 94 VAL N A 94 VAL CA A 94 VAL C A 95 HIS N 1.0 -66.6 -1.0 PSI 9 9 A 94 VAL C A 95 HIS N A 95 HIS CA A 95 HIS C 1.0 -107.3 -62.9 PHI 10 10 A 95 HIS N A 95 HIS CA A 95 HIS C A 96 GLY N 1.0 -36.6 4.2 PSI 11 11 A 95 HIS C A 96 GLY N A 96 GLY CA A 96 GLY C 1.0 44.4 100.2 PHI 12 12 A 96 GLY N A 96 GLY CA A 96 GLY C A 97 GLU N 1.0 -9.5 73.5 PSI 13 13 A 96 GLY C A 97 GLU N A 97 GLU CA A 97 GLU C 1.0 -167.0 -58.6 PHI 14 14 A 97 GLU N A 97 GLU CA A 97 GLU C A 98 ARG N 1.0 118.8 186.4 PSI 15 15 A 98 ARG C A 99 LEU N A 99 LEU CA A 99 LEU C 1.0 -213.0 62.6 PHI 16 16 A 99 LEU N A 99 LEU CA A 99 LEU C A 100 HIS N 1.0 58.3 184.9 PSI 17 17 A 99 LEU C A 100 HIS N A 100 HIS CA A 100 HIS C 1.0 -184.9 -74.5 PHI 18 18 A 100 HIS N A 100 HIS CA A 100 HIS C A 101 LEU N 1.0 101.5 183.3 PSI 19 19 A 100 HIS C A 101 LEU N A 101 LEU CA A 101 LEU C 1.0 -165.4 -106.0 PHI 20 20 A 101 LEU N A 101 LEU CA A 101 LEU C A 102 PHE N 1.0 113.3 175.1 PSI 21 21 A 101 LEU C A 102 PHE N A 102 PHE CA A 102 PHE C 1.0 -179.0 -78.6 PHI 22 22 A 102 PHE N A 102 PHE CA A 102 PHE C A 103 CYS N 1.0 101.5 159.1 PSI 23 23 A 102 PHE C A 103 CYS N A 103 CYS CA A 103 CYS C 1.0 -125.8 -51.2 PHI 24 24 A 103 CYS N A 103 CYS CA A 103 CYS C A 104 GLU N 1.0 73.5 146.9 PSI 25 25 A 103 CYS C A 104 GLU N A 104 GLU CA A 104 GLU C 1.0 -75.9 -45.9 PHI 26 26 A 104 GLU N A 104 GLU CA A 104 GLU C A 105 LYS N 1.0 -56.2 -6.0 PSI 27 27 A 104 GLU C A 105 LYS N A 105 LYS CA A 105 LYS C 1.0 -90.3 -47.7 PHI 28 28 A 105 LYS N A 105 LYS CA A 105 LYS C A 106 ASP N 1.0 -61.6 9.2 PSI 29 29 A 105 LYS C A 106 ASP N A 106 ASP CA A 106 ASP C 1.0 -136.0 -64.6 PHI 30 30 A 106 ASP N A 106 ASP CA A 106 ASP C A 107 GLY N 1.0 -30.9 29.9 PSI 31 31 A 106 ASP C A 107 GLY N A 107 GLY CA A 107 GLY C 1.0 39.9 106.7 PHI 32 32 A 107 GLY N A 107 GLY CA A 107 GLY C A 108 LYS N 1.0 -24.4 84.0 PSI 33 33 A 107 GLY C A 108 LYS N A 108 LYS CA A 108 LYS C 1.0 -164.6 -87.0 PHI 34 34 A 108 LYS N A 108 LYS CA A 108 LYS C A 109 ALA N 1.0 122.1 194.1 PSI 35 35 A 108 LYS C A 109 ALA N A 109 ALA CA A 109 ALA C 1.0 -165.8 -58.4 PHI 36 36 A 109 ALA N A 109 ALA CA A 109 ALA C A 110 LEU N 1.0 102.5 164.3 PSI 37 37 A 109 ALA C A 110 LEU N A 110 LEU CA A 110 LEU C 1.0 -156.6 -70.0 PHI 38 38 A 110 LEU N A 110 LEU CA A 110 LEU C A 111 CYS N 1.0 105.8 181.6 PSI 39 39 A 110 LEU C A 111 CYS N A 111 CYS CA A 111 CYS C 1.0 -164.6 -98.2 PHI 40 40 A 111 CYS N A 111 CYS CA A 111 CYS C A 112 TRP N 1.0 132.6 187.8 PSI 41 41 A 112 TRP C A 113 VAL N A 113 VAL CA A 113 VAL C 1.0 -78.6 -48.0 PHI 42 42 A 113 VAL N A 113 VAL CA A 113 VAL C A 114 CYS N 1.0 -67.3 -24.7 PSI 43 43 A 113 VAL C A 114 CYS N A 114 CYS CA A 114 CYS C 1.0 -78.6 -47.0 PHI 44 44 A 114 CYS N A 114 CYS CA A 114 CYS C A 115 ALA N 1.0 -70.0 -12.6 PSI 45 45 A 114 CYS C A 115 ALA N A 115 ALA CA A 115 ALA C 1.0 -87.7 -51.5 PHI 46 46 A 115 ALA N A 115 ALA CA A 115 ALA C A 116 GLN N 1.0 -66.0 21.2 PSI 47 47 A 115 ALA C A 116 GLN N A 116 GLN CA A 116 GLN C 1.0 -121.6 -76.0 PHI 48 48 A 116 GLN N A 116 GLN CA A 116 GLN C A 117 SER N 1.0 -42.5 36.7 PSI 49 49 A 116 GLN C A 117 SER N A 117 SER CA A 117 SER C 1.0 -163.0 -12.6 PHI 50 50 A 117 SER N A 117 SER CA A 117 SER C A 118 ARG N 1.0 96.0 191.8 PSI 51 51 A 123 HIS C A 124 ALA N A 124 ALA CA A 124 ALA C 1.0 -252.0 65.8 PHI 52 52 A 124 ALA N A 124 ALA CA A 124 ALA C A 125 MET N 1.0 61.8 193.8 PSI 53 53 A 124 ALA C A 125 MET N A 125 MET CA A 125 MET C 1.0 -172.1 -67.9 PHI 54 54 A 125 MET N A 125 MET CA A 125 MET C A 126 VAL N 1.0 109.8 192.6 PSI 55 55 A 125 MET C A 126 VAL N A 126 VAL CA A 126 VAL C 1.0 -169.9 -80.7 PHI 56 56 A 126 VAL N A 126 VAL CA A 126 VAL C A 127 PRO N 1.0 59.7 210.1 PSI 57 57 A 127 PRO C A 128 LEU N A 128 LEU CA A 128 LEU C 1.0 -157.4 -43.8 PHI 58 58 A 128 LEU N A 128 LEU CA A 128 LEU C A 129 GLU N 1.0 86.3 172.9 PSI stop_ save_