data_nef_c30580_6o3s 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6O3S 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 12 CYS SG 1 33 CYS SG 1 16 CYS SG 1 29 CYS SG 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 PRO start . false 2 A 2 ARG middle . . 3 A 3 GLY middle . false 4 A 4 SER middle . . 5 A 5 PRO middle . false 6 A 6 ARG middle . . 7 A 7 THR middle . . 8 A 8 GLU middle . . 9 A 9 TYR middle . . 10 A 10 GLU middle . . 11 A 11 ALA middle . . 12 A 12 CYS middle -HG . 13 A 13 ARG middle . . 14 A 14 VAL middle . . 15 A 15 ARG middle . . 16 A 16 CYS middle -HG . 17 A 17 GLN middle . . 18 A 18 VAL middle . . 19 A 19 ALA middle . . 20 A 20 GLU middle . . 21 A 21 HIS middle . . 22 A 22 GLY middle . false 23 A 23 VAL middle . . 24 A 24 GLU middle . . 25 A 25 ARG middle . . 26 A 26 GLN middle . . 27 A 27 ARG middle . . 28 A 28 ARG middle . . 29 A 29 CYS middle -HG . 30 A 30 GLN middle . . 31 A 31 GLN middle . . 32 A 32 VAL middle . . 33 A 33 CYS middle -HG . 34 A 34 GLU middle . . 35 A 35 LYS middle . . 36 A 36 ARG middle . . 37 A 37 LEU middle . . 38 A 38 ARG middle . . 39 A 39 GLU middle . . 40 A 40 ARG middle . . 41 A 41 GLU middle . . 42 A 42 GLY middle . false 43 A 43 ARG middle . . 44 A 44 ARG middle . . 45 A 45 GLU middle . . 46 A 46 VAL middle . . 47 A 47 ASP end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 PRO HA H 1 4.397 0.000 A 1 PRO HBy H 1 2.457 0.000 A 1 PRO HBx H 1 2.022 0.000 A 1 PRO HDx H 1 3.378 0.000 A 1 PRO HDy H 1 3.378 0.000 A 1 PRO HGx H 1 2.051 0.000 A 1 PRO HGy H 1 2.051 0.000 A 1 PRO CA C 13 62.232 0.000 A 1 PRO CB C 13 32.356 0.000 A 2 ARG H H 1 8.800 0.000 A 2 ARG HA H 1 4.336 0.000 A 2 ARG HBy H 1 1.850 0.000 A 2 ARG HBx H 1 1.782 0.000 A 2 ARG HDx H 1 3.185 0.000 A 2 ARG HDy H 1 3.185 0.000 A 2 ARG HE H 1 7.263 0.007 A 2 ARG HGx H 1 1.671 0.000 A 2 ARG HGy H 1 1.671 0.000 A 2 ARG CA C 13 55.841 0.000 A 2 ARG CB C 13 30.757 0.000 A 2 ARG N N 15 120.953 0.000 A 3 GLY H H 1 8.592 0.000 A 3 GLY HAy H 1 4.070 0.000 A 3 GLY HAx H 1 3.917 0.000 A 3 GLY CA C 13 44.688 0.000 A 3 GLY N N 15 110.747 0.000 A 4 SER H H 1 8.482 0.000 A 4 SER HA H 1 4.829 0.000 A 4 SER HBy H 1 4.121 0.000 A 4 SER HBx H 1 3.960 0.000 A 4 SER CB C 13 63.286 0.000 A 4 SER N N 15 116.914 0.000 A 5 PRO HA H 1 4.328 0.000 A 5 PRO HBy H 1 2.246 0.000 A 5 PRO HBx H 1 1.926 0.000 A 5 PRO HDx H 1 3.903 0.000 A 5 PRO HDy H 1 3.903 0.000 A 5 PRO HGy H 1 2.151 0.000 A 5 PRO HGx H 1 1.960 0.000 A 5 PRO CA C 13 65.089 0.000 A 5 PRO CB C 13 31.995 0.000 A 6 ARG H H 1 8.475 0.001 A 6 ARG HA H 1 4.211 0.000 A 6 ARG HBy H 1 1.889 0.000 A 6 ARG HBx H 1 1.751 0.000 A 6 ARG HDx H 1 3.189 0.000 A 6 ARG HDy H 1 3.189 0.000 A 6 ARG HE H 1 7.441 0.000 A 6 ARG HGx H 1 1.667 0.000 A 6 ARG HGy H 1 1.667 0.000 A 6 ARG CA C 13 58.370 0.000 A 6 ARG CB C 13 29.869 0.000 A 6 ARG N N 15 118.165 0.000 A 7 THR H H 1 7.891 0.000 A 7 THR HA H 1 4.137 0.000 A 7 THR HB H 1 4.344 0.000 A 7 THR HG2% H 1 1.293 0.001 A 7 THR CA C 13 65.089 0.000 A 7 THR CB C 13 68.807 0.000 A 7 THR CG2 C 13 21.838 0.000 A 7 THR N N 15 113.757 0.000 A 8 GLU H H 1 8.390 0.000 A 8 GLU HA H 1 4.126 0.000 A 8 GLU HBy H 1 2.059 0.000 A 8 GLU HBx H 1 1.949 0.001 A 8 GLU HGx H 1 2.360 0.001 A 8 GLU HGy H 1 2.360 0.001 A 8 GLU CA C 13 59.002 0.000 A 8 GLU CB C 13 29.153 0.000 A 8 GLU N N 15 122.226 0.000 A 9 TYR H H 1 8.229 0.002 A 9 TYR HA H 1 4.621 0.000 A 9 TYR HBy H 1 3.206 0.007 A 9 TYR HBx H 1 3.140 0.005 A 9 TYR HDx H 1 7.030 0.000 A 9 TYR HDy H 1 7.030 0.000 A 9 TYR HEx H 1 6.643 0.002 A 9 TYR HEy H 1 6.643 0.002 A 9 TYR CA C 13 60.459 0.000 A 9 TYR CB C 13 38.784 0.000 A 9 TYR N N 15 121.633 0.000 A 10 GLU H H 1 8.382 0.000 A 10 GLU HA H 1 3.701 0.000 A 10 GLU HBx H 1 2.228 0.000 A 10 GLU HBy H 1 2.228 0.000 A 10 GLU HGx H 1 2.422 0.000 A 10 GLU HGy H 1 2.422 0.000 A 10 GLU CA C 13 60.178 0.000 A 10 GLU CB C 13 28.813 0.000 A 10 GLU N N 15 121.798 0.000 A 11 ALA H H 1 7.877 0.000 A 11 ALA HA H 1 4.090 0.006 A 11 ALA HB% H 1 1.446 0.000 A 11 ALA CA C 13 54.823 0.000 A 11 ALA CB C 13 17.738 0.000 A 11 ALA N N 15 115.834 0.000 A 12 CYS H H 1 8.125 0.004 A 12 CYS HA H 1 4.145 0.000 A 12 CYS HBy H 1 3.486 0.000 A 12 CYS HBx H 1 3.115 0.000 A 12 CYS CA C 13 58.124 0.000 A 12 CYS CB C 13 36.840 0.000 A 12 CYS N N 15 119.729 0.000 A 13 ARG H H 1 8.289 0.000 A 13 ARG HA H 1 3.633 0.000 A 13 ARG HBy H 1 1.702 0.000 A 13 ARG HBx H 1 1.579 0.000 A 13 ARG HDy H 1 3.021 0.001 A 13 ARG HDx H 1 2.792 0.000 A 13 ARG HE H 1 7.247 0.000 A 13 ARG HGy H 1 1.374 0.000 A 13 ARG HGx H 1 1.233 0.000 A 13 ARG CA C 13 60.126 0.000 A 13 ARG CB C 13 29.800 0.000 A 13 ARG CG C 13 27.301 0.000 A 13 ARG N N 15 120.097 0.000 A 14 VAL H H 1 7.876 0.003 A 14 VAL HA H 1 3.687 0.000 A 14 VAL HB H 1 2.027 0.000 A 14 VAL HGy% H 1 0.935 0.000 A 14 VAL CA C 13 66.201 0.000 A 14 VAL CB C 13 32.843 0.000 A 14 VAL CGy C 13 22.603 0.000 A 14 VAL CGx C 13 21.033 0.000 A 14 VAL N N 15 119.714 0.000 A 15 ARG H H 1 8.230 0.000 A 15 ARG HA H 1 3.845 0.000 A 15 ARG HBy H 1 1.712 0.000 A 15 ARG HBx H 1 1.589 0.000 A 15 ARG HDx H 1 3.184 0.000 A 15 ARG HDy H 1 3.184 0.000 A 15 ARG HGy H 1 2.078 0.000 A 15 ARG HGx H 1 1.950 0.000 A 15 ARG CA C 13 58.563 0.000 A 15 ARG CB C 13 29.858 0.000 A 15 ARG N N 15 119.570 0.000 A 16 CYS H H 1 7.985 0.000 A 16 CYS HA H 1 4.435 0.001 A 16 CYS HBy H 1 3.218 0.000 A 16 CYS HBx H 1 2.993 0.000 A 16 CYS CA C 13 53.980 0.000 A 16 CYS CB C 13 37.316 0.000 A 16 CYS N N 15 115.621 0.000 A 17 GLN H H 1 7.577 0.000 A 17 GLN HA H 1 4.030 0.000 A 17 GLN HBy H 1 2.319 0.001 A 17 GLN HBx H 1 2.181 0.001 A 17 GLN HGx H 1 2.452 0.001 A 17 GLN HGy H 1 2.452 0.001 A 17 GLN CA C 13 57.825 0.000 A 17 GLN CB C 13 28.149 0.000 A 17 GLN N N 15 116.690 0.000 A 18 VAL H H 1 7.695 0.000 A 18 VAL HA H 1 4.077 0.000 A 18 VAL HB H 1 2.111 0.000 A 18 VAL HGy% H 1 0.945 0.000 A 18 VAL CA C 13 63.444 0.000 A 18 VAL CB C 13 32.839 0.000 A 18 VAL CGy C 13 21.024 0.000 A 18 VAL CGx C 13 20.976 0.000 A 18 VAL N N 15 114.903 0.000 A 19 ALA H H 1 8.342 0.000 A 19 ALA HA H 1 4.322 0.000 A 19 ALA HB% H 1 1.441 0.000 A 19 ALA CA C 13 53.313 0.000 A 19 ALA CB C 13 20.304 0.000 A 19 ALA N N 15 120.843 0.000 A 20 GLU H H 1 7.296 0.000 A 20 GLU HA H 1 4.662 0.000 A 20 GLU HBy H 1 2.046 0.000 A 20 GLU HBx H 1 1.768 0.000 A 20 GLU HGy H 1 2.342 0.000 A 20 GLU HGx H 1 2.216 0.000 A 20 GLU CB C 13 29.833 0.000 A 20 GLU N N 15 116.497 0.000 A 21 HIS H H 1 8.724 0.001 A 21 HIS HA H 1 4.717 0.000 A 21 HIS HBy H 1 3.232 0.000 A 21 HIS HBx H 1 3.116 0.000 A 21 HIS CB C 13 29.509 0.000 A 21 HIS N N 15 119.394 0.000 A 22 GLY H H 1 8.469 0.000 A 22 GLY HAy H 1 4.401 0.000 A 22 GLY HAx H 1 3.811 0.000 A 22 GLY CA C 13 44.251 0.000 A 22 GLY N N 15 113.008 0.000 A 23 VAL H H 1 8.392 0.000 A 23 VAL HA H 1 3.753 0.000 A 23 VAL HB H 1 2.051 0.000 A 23 VAL HGy% H 1 0.976 0.003 A 23 VAL CA C 13 66.148 0.000 A 23 VAL CB C 13 31.753 0.000 A 23 VAL CGy C 13 21.536 0.000 A 23 VAL CGx C 13 21.394 0.000 A 23 VAL N N 15 122.710 0.000 A 24 GLU H H 1 8.588 0.000 A 24 GLU HA H 1 4.083 0.000 A 24 GLU HBx H 1 2.074 0.000 A 24 GLU HBy H 1 2.074 0.000 A 24 GLU HGx H 1 2.365 0.000 A 24 GLU HGy H 1 2.365 0.000 A 24 GLU CA C 13 59.300 0.000 A 24 GLU CB C 13 29.191 0.000 A 24 GLU N N 15 120.163 0.000 A 25 ARG H H 1 8.179 0.000 A 25 ARG HA H 1 3.947 0.000 A 25 ARG HBy H 1 1.927 0.000 A 25 ARG HBx H 1 1.873 0.000 A 25 ARG HDy H 1 3.375 0.000 A 25 ARG HDx H 1 3.318 0.000 A 25 ARG HE H 1 7.416 0.000 A 25 ARG HGy H 1 1.793 0.000 A 25 ARG HGx H 1 1.618 0.000 A 25 ARG CA C 13 59.300 0.000 A 25 ARG CB C 13 27.725 0.000 A 25 ARG N N 15 119.088 0.000 A 26 GLN H H 1 8.371 0.000 A 26 GLN HA H 1 3.701 0.000 A 26 GLN HBx H 1 2.226 0.000 A 26 GLN HBy H 1 2.226 0.000 A 26 GLN HGx H 1 2.421 0.000 A 26 GLN HGy H 1 2.421 0.000 A 26 GLN CA C 13 56.983 0.000 A 26 GLN CB C 13 27.774 0.000 A 26 GLN N N 15 120.206 0.000 A 27 ARG H H 1 8.486 0.000 A 27 ARG HA H 1 4.050 0.000 A 27 ARG HBy H 1 1.946 0.000 A 27 ARG HBx H 1 1.797 0.000 A 27 ARG HDx H 1 3.192 0.000 A 27 ARG HDy H 1 3.192 0.000 A 27 ARG HE H 1 7.360 0.001 A 27 ARG HGx H 1 1.614 0.000 A 27 ARG HGy H 1 1.614 0.000 A 27 ARG CA C 13 59.423 0.000 A 27 ARG CB C 13 29.744 0.000 A 27 ARG N N 15 120.250 0.000 A 28 ARG H H 1 7.970 0.000 A 28 ARG HA H 1 4.092 0.000 A 28 ARG HBy H 1 1.885 0.000 A 28 ARG HBx H 1 1.789 0.000 A 28 ARG HDx H 1 3.192 0.000 A 28 ARG HDy H 1 3.192 0.000 A 28 ARG HE H 1 7.372 0.000 A 28 ARG HGx H 1 1.663 0.000 A 28 ARG HGy H 1 1.663 0.000 A 28 ARG CA C 13 59.599 0.000 A 28 ARG CB C 13 30.710 0.000 A 28 ARG N N 15 119.500 0.000 A 29 CYS H H 1 7.774 0.002 A 29 CYS HA H 1 4.268 0.001 A 29 CYS HBy H 1 3.447 0.002 A 29 CYS HBx H 1 2.997 0.002 A 29 CYS CA C 13 56.772 0.000 A 29 CYS CB C 13 35.041 0.000 A 29 CYS N N 15 119.133 0.000 A 30 GLN H H 1 8.486 0.000 A 30 GLN HA H 1 3.750 0.000 A 30 GLN HBx H 1 2.259 0.000 A 30 GLN HBy H 1 2.259 0.000 A 30 GLN HGx H 1 2.561 0.000 A 30 GLN HGy H 1 2.561 0.000 A 30 GLN CA C 13 59.599 0.000 A 30 GLN CB C 13 27.579 0.000 A 30 GLN N N 15 120.602 0.000 A 31 GLN H H 1 8.186 0.000 A 31 GLN HA H 1 4.140 0.000 A 31 GLN HBy H 1 2.452 0.000 A 31 GLN HBx H 1 2.354 0.000 A 31 GLN HGx H 1 2.613 0.000 A 31 GLN HGy H 1 2.613 0.000 A 31 GLN CA C 13 58.984 0.000 A 31 GLN CB C 13 34.135 0.000 A 31 GLN CG C 13 34.105 0.000 A 31 GLN N N 15 121.226 0.000 A 32 VAL H H 1 7.855 0.000 A 32 VAL HA H 1 3.720 0.000 A 32 VAL HB H 1 2.420 0.000 A 32 VAL HGy% H 1 0.971 0.000 A 32 VAL CA C 13 66.956 0.000 A 32 VAL CB C 13 31.030 0.000 A 32 VAL CGy C 13 22.452 0.000 A 32 VAL CGx C 13 20.580 0.000 A 32 VAL N N 15 115.560 0.000 A 33 CYS H H 1 7.920 0.004 A 33 CYS HA H 1 4.406 0.000 A 33 CYS HBy H 1 3.288 0.000 A 33 CYS HBx H 1 3.203 0.000 A 33 CYS CA C 13 57.049 0.000 A 33 CYS CB C 13 36.364 0.000 A 33 CYS N N 15 117.438 0.000 A 34 GLU H H 1 8.386 0.004 A 34 GLU HA H 1 4.041 0.000 A 34 GLU HBx H 1 2.267 0.000 A 34 GLU HBy H 1 2.267 0.000 A 34 GLU HGx H 1 2.492 0.000 A 34 GLU HGy H 1 2.492 0.000 A 34 GLU CA C 13 59.177 0.000 A 34 GLU CB C 13 33.743 0.000 A 34 GLU N N 15 120.560 0.000 A 35 LYS H H 1 8.195 0.000 A 35 LYS HA H 1 4.004 0.000 A 35 LYS HBy H 1 1.995 0.000 A 35 LYS HBx H 1 1.689 0.000 A 35 LYS HGy H 1 1.564 0.000 A 35 LYS HGx H 1 1.421 0.000 A 35 LYS CA C 13 59.581 0.000 A 35 LYS CB C 13 29.372 0.000 A 35 LYS CG C 13 24.946 0.000 A 35 LYS N N 15 120.157 0.000 A 36 ARG H H 1 8.091 0.000 A 36 ARG HA H 1 4.229 0.000 A 36 ARG HBy H 1 1.961 0.000 A 36 ARG HBx H 1 1.835 0.000 A 36 ARG HDy H 1 3.257 0.000 A 36 ARG HDx H 1 3.177 0.000 A 36 ARG HE H 1 7.567 0.000 A 36 ARG HGx H 1 1.729 0.000 A 36 ARG HGy H 1 1.729 0.000 A 36 ARG CA C 13 57.439 0.000 A 36 ARG CB C 13 30.186 0.000 A 36 ARG N N 15 117.957 0.000 A 37 LEU H H 1 7.681 0.000 A 37 LEU HA H 1 4.277 0.000 A 37 LEU HBy H 1 1.821 0.002 A 37 LEU HBx H 1 1.498 0.004 A 37 LEU HDx% H 1 0.708 0.000 A 37 LEU HDy% H 1 0.327 0.000 A 37 LEU HG H 1 1.346 0.000 A 37 LEU CA C 13 56.175 0.000 A 37 LEU CDy C 13 24.125 0.000 A 37 LEU CG C 13 26.838 0.000 A 37 LEU N N 15 121.974 0.000 A 38 ARG H H 1 8.015 0.000 A 38 ARG HA H 1 4.039 0.000 A 38 ARG HBy H 1 1.892 0.000 A 38 ARG HBx H 1 1.751 0.000 A 38 ARG HDx H 1 3.154 0.000 A 38 ARG HDy H 1 3.154 0.000 A 38 ARG HE H 1 7.275 0.000 A 38 ARG HGx H 1 1.610 0.000 A 38 ARG HGy H 1 1.610 0.000 A 38 ARG CA C 13 58.580 0.000 A 38 ARG CB C 13 27.232 0.000 A 38 ARG N N 15 117.682 0.000 A 39 GLU H H 1 8.041 0.000 A 39 GLU HA H 1 4.137 0.000 A 39 GLU HBy H 1 2.562 0.000 A 39 GLU HBx H 1 2.393 0.000 A 39 GLU HGy H 1 2.206 0.000 A 39 GLU HGx H 1 2.121 0.000 A 39 GLU CA C 13 58.528 0.000 A 39 GLU CB C 13 34.828 0.000 A 39 GLU N N 15 118.858 0.000 A 40 ARG H H 1 7.869 0.000 A 40 ARG HA H 1 4.077 0.000 A 40 ARG HBy H 1 1.946 0.000 A 40 ARG HBx H 1 1.732 0.000 A 40 ARG HDx H 1 3.181 0.000 A 40 ARG HDy H 1 3.181 0.000 A 40 ARG HE H 1 7.231 0.000 A 40 ARG HGx H 1 1.443 0.000 A 40 ARG HGy H 1 1.443 0.000 A 40 ARG CA C 13 59.177 0.000 A 40 ARG CB C 13 29.432 0.000 A 40 ARG N N 15 125.701 0.000 A 41 GLU H H 1 8.226 0.003 A 41 GLU HA H 1 4.264 0.000 A 41 GLU HBy H 1 2.105 0.000 A 41 GLU HBx H 1 2.035 0.000 A 41 GLU HGy H 1 2.524 0.004 A 41 GLU HGx H 1 2.348 0.000 A 41 GLU CA C 13 59.792 0.000 A 41 GLU CB C 13 29.131 0.000 A 41 GLU N N 15 118.078 0.000 A 42 GLY H H 1 8.081 0.009 A 42 GLY HAx H 1 3.958 0.003 A 42 GLY HAy H 1 3.958 0.003 A 42 GLY CA C 13 45.550 0.000 A 42 GLY N N 15 119.179 0.000 A 43 ARG H H 1 8.004 0.000 A 43 ARG HA H 1 4.348 0.000 A 43 ARG HBy H 1 1.881 0.000 A 43 ARG HBx H 1 1.740 0.000 A 43 ARG HDx H 1 3.185 0.000 A 43 ARG HDy H 1 3.185 0.000 A 43 ARG HE H 1 7.229 0.000 A 43 ARG HGx H 1 1.633 0.000 A 43 ARG HGy H 1 1.633 0.000 A 43 ARG CA C 13 56.631 0.000 A 43 ARG CB C 13 30.698 0.000 A 43 ARG N N 15 119.836 0.000 A 44 ARG H H 1 8.364 0.000 A 44 ARG HA H 1 4.279 0.000 A 44 ARG HBy H 1 1.835 0.000 A 44 ARG HBx H 1 1.763 0.000 A 44 ARG HDx H 1 3.185 0.000 A 44 ARG HDy H 1 3.185 0.000 A 44 ARG HE H 1 7.210 0.000 A 44 ARG HGx H 1 1.610 0.000 A 44 ARG HGy H 1 1.610 0.000 A 44 ARG CA C 13 57.790 0.000 A 44 ARG CB C 13 30.306 0.000 A 44 ARG N N 15 121.589 0.000 A 45 GLU H H 1 8.434 0.001 A 45 GLU HA H 1 4.364 0.000 A 45 GLU HBy H 1 2.068 0.000 A 45 GLU HBx H 1 1.954 0.000 A 45 GLU HGx H 1 2.374 0.000 A 45 GLU HGy H 1 2.374 0.000 A 45 GLU CA C 13 55.841 0.000 A 45 GLU CB C 13 29.884 0.000 A 45 GLU N N 15 122.335 0.000 A 46 VAL H H 1 8.161 0.003 A 46 VAL HA H 1 4.137 0.000 A 46 VAL HB H 1 2.079 0.000 A 46 VAL HGy% H 1 0.898 0.000 A 46 VAL CA C 13 62.057 0.000 A 46 VAL CB C 13 32.808 0.000 A 46 VAL CGy C 13 24.796 0.000 A 46 VAL CGx C 13 20.075 0.000 A 46 VAL N N 15 120.569 0.000 A 47 ASP H H 1 8.153 0.000 A 47 ASP HA H 1 4.497 0.000 A 47 ASP HBy H 1 2.820 0.000 A 47 ASP HBx H 1 2.741 0.000 A 47 ASP CA C 13 53.963 0.000 A 47 ASP CB C 13 40.087 0.000 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 . 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 7 THR H A 7 THR HB 1.0 1.8 3.68 2 2 A 7 THR H A 7 THR HG2% 1.0 1.8 3.47 3 3 A 6 ARG H A 6 ARG HGx 1.0 1.8 4.55 4 3 A 6 ARG H A 6 ARG HGy 1.0 1.8 4.55 5 4 A 6 ARG HA A 6 ARG HDx 1.0 1.8 4.59 6 4 A 6 ARG HA A 6 ARG HDy 1.0 1.8 4.59 7 5 A 36 ARG HA A 36 ARG HDx 1.0 1.8 5.00 8 6 A 6 ARG HA A 6 ARG HGx 1.0 1.8 4.09 9 6 A 6 ARG HGy A 6 ARG HA 1.0 1.8 4.09 10 7 A 6 ARG HDy A 6 ARG HBy 1.0 1.8 4.19 11 7 A 6 ARG HBy A 6 ARG HDx 1.0 1.8 4.19 12 8 A 7 THR HG2% A 7 THR HA 1.0 1.8 3.27 13 9 A 7 THR HG2% A 8 GLU H 1.0 1.8 4.37 14 10 A 8 GLU H A 8 GLU HBx 1.0 1.8 3.60 15 11 A 8 GLU H A 8 GLU HBy 1.0 1.8 3.60 16 12 A 23 VAL H A 23 VAL HB 1.0 1.8 3.86 17 13 A 8 GLU H A 8 GLU HGx 1.0 1.8 4.03 18 13 A 8 GLU H A 8 GLU HGy 1.0 1.8 4.03 19 14 A 7 THR HG2% A 9 TYR H 1.0 1.8 5.50 20 15 A 9 TYR H A 9 TYR HBy 1.0 1.8 3.71 21 16 A 9 TYR H A 9 TYR HBx 1.0 1.8 3.71 22 17 A 9 TYR HA A 9 TYR HD% 1.0 1.8 3.82 23 18 A 9 TYR HA A 9 TYR HE% 1.0 1.8 5.45 24 19 A 9 TYR HA A 12 CYS HBx 1.0 1.8 4.52 25 20 A 9 TYR HA A 12 CYS H 1.0 1.8 4.84 26 21 A 12 CYS H A 12 CYS HBy 1.0 1.8 3.42 27 22 A 12 CYS H A 12 CYS HBx 1.0 1.8 3.42 28 23 A 13 ARG H A 12 CYS HBx 1.0 1.8 4.25 29 24 A 13 ARG H A 12 CYS HBy 1.0 1.8 4.25 30 25 A 13 ARG H A 13 ARG HBx 1.0 1.8 3.71 31 26 A 13 ARG H A 13 ARG HBy 1.0 1.8 3.71 32 27 A 13 ARG H A 13 ARG HDy 1.0 1.8 5.50 33 28 A 13 ARG H A 13 ARG HDx 1.0 1.8 5.50 34 29 A 12 CYS H A 11 ALA HB% 1.0 1.8 3.49 35 30 A 11 ALA HB% A 11 ALA H 1.0 1.8 3.24 36 31 A 8 GLU H A 9 TYR H 1.0 1.8 4.11 37 32 A 9 TYR H A 10 GLU H 1.0 1.8 4.26 38 33 A 7 THR H A 8 GLU H 1.0 1.8 3.43 39 34 A 11 ALA H A 10 GLU H 1.0 1.8 3.79 40 35 A 7 THR H A 6 ARG H 1.0 1.8 3.75 41 36 A 9 TYR H A 9 TYR HD% 1.0 1.8 3.68 42 37 A 9 TYR HD% A 10 GLU H 1.0 1.8 4.09 43 38 A 14 VAL H A 14 VAL HGy% 1.0 1.8 3.80 44 39 A 14 VAL H A 14 VAL HG11 1.0 1.8 3.80 45 40 A 14 VAL H A 14 VAL HB 1.0 1.8 3.11 46 41 A 13 ARG H A 14 VAL H 1.0 1.8 3.48 47 42 A 12 CYS H A 13 ARG H 1.0 1.8 3.78 48 43 A 12 CYS H A 11 ALA H 1.0 1.8 3.42 49 44 A 19 ALA H A 18 VAL HG11 1.0 1.8 4.63 50 45 A 19 ALA H A 18 VAL HGy% 1.0 1.8 4.63 51 46 A 18 VAL H A 18 VAL HG11 1.0 1.8 4.32 52 47 A 18 VAL H A 18 VAL HGy% 1.0 1.8 4.32 53 48 A 18 VAL H A 18 VAL HB 1.0 1.8 3.45 54 49 A 19 ALA H A 18 VAL HB 1.0 1.8 4.19 55 50 A 19 ALA H A 19 ALA HB% 1.0 1.8 3.03 56 51 A 18 VAL HA A 18 VAL HG11 1.0 1.8 3.36 57 52 A 18 VAL HA A 18 VAL HGy% 1.0 1.8 3.36 58 53 A 14 VAL HA A 14 VAL HG11 1.0 1.8 3.29 59 54 A 14 VAL HA A 14 VAL HGy% 1.0 1.8 3.29 60 55 A 19 ALA H A 18 VAL H 1.0 1.8 3.28 61 56 A 19 ALA H A 20 GLU H 1.0 1.8 3.42 62 57 A 14 VAL H A 13 ARG HBy 1.0 1.8 4.62 63 58 A 14 VAL H A 13 ARG HBx 1.0 1.8 4.62 64 59 A 21 HIS H A 21 HIS HBy 1.0 1.8 3.75 65 60 A 21 HIS H A 21 HIS HBx 1.0 1.8 3.75 66 61 A 21 HIS H A 20 GLU HGy 1.0 1.8 5.50 67 62 A 23 VAL H A 23 VAL HG11 1.0 1.8 3.90 68 63 A 23 VAL H A 23 VAL HGy% 1.0 1.8 3.90 69 64 A 24 GLU H A 23 VAL HGy% 1.0 1.8 4.18 70 65 A 24 GLU H A 23 VAL HG11 1.0 1.8 4.18 71 66 A 23 VAL HB A 24 GLU H 1.0 1.8 3.08 72 67 A 23 VAL HA A 23 VAL HG11 1.0 1.8 3.58 73 68 A 23 VAL HA A 23 VAL HGy% 1.0 1.8 3.58 74 69 A 23 VAL H A 24 GLU H 1.0 1.8 3.83 75 70 A 24 GLU H A 24 GLU HBx 1.0 1.8 3.35 76 70 A 24 GLU H A 24 GLU HBy 1.0 1.8 3.35 77 71 A 24 GLU H A 24 GLU HGx 1.0 1.8 3.92 78 71 A 24 GLU H A 24 GLU HGy 1.0 1.8 3.92 79 72 A 24 GLU HA A 24 GLU HGx 1.0 1.8 4.05 80 72 A 24 GLU HGy A 24 GLU HA 1.0 1.8 4.05 81 73 A 32 VAL HA A 32 VAL HGy% 1.0 1.8 3.41 82 74 A 33 CYS H A 32 VAL HGy% 1.0 1.8 5.50 83 75 A 33 CYS H A 32 VAL HG11 1.0 1.8 5.50 84 76 A 32 VAL HA A 32 VAL HG11 1.0 1.8 3.41 85 77 A 33 CYS H A 32 VAL HB 1.0 1.8 4.04 86 78 A 33 CYS H A 33 CYS HBy 1.0 1.8 4.15 87 79 A 33 CYS H A 33 CYS HBx 1.0 1.8 4.15 88 80 A 34 GLU H A 33 CYS HBx 1.0 1.8 4.45 89 81 A 34 GLU H A 33 CYS HBy 1.0 1.8 4.45 90 82 A 23 VAL H A 22 GLY HAy 1.0 1.8 3.30 91 83 A 32 VAL HB A 32 VAL H 1.0 1.8 3.43 92 84 A 37 LEU H A 37 LEU HG 1.0 1.8 4.93 93 85 A 37 LEU H A 37 LEU HBx 1.0 1.8 4.01 94 86 A 37 LEU H A 36 ARG HBx 1.0 1.8 3.89 95 87 A 37 LEU H A 37 LEU HBy 1.0 1.8 4.01 96 88 A 37 LEU H A 37 LEU HDx% 1.0 1.8 5.50 97 89 A 37 LEU H A 37 LEU HDy% 1.0 1.8 5.50 98 90 A 37 LEU HA A 37 LEU HDx% 1.0 1.8 4.03 99 91 A 37 LEU HA A 37 LEU HDy% 1.0 1.8 4.03 100 92 A 37 LEU HBy A 37 LEU HDx% 1.0 1.8 3.73 101 93 A 37 LEU HDy% A 37 LEU HBy 1.0 1.8 3.73 102 94 A 37 LEU HBx A 37 LEU HDx% 1.0 1.8 3.73 103 95 A 37 LEU HDy% A 37 LEU HBx 1.0 1.8 3.73 104 96 A 38 ARG H A 38 ARG HBy 1.0 1.8 3.81 105 97 A 38 ARG H A 38 ARG HGx 1.0 1.8 4.52 106 97 A 38 ARG H A 38 ARG HGy 1.0 1.8 4.52 107 98 A 38 ARG H A 38 ARG HDx 1.0 1.8 5.50 108 98 A 38 ARG H A 38 ARG HDy 1.0 1.8 5.50 109 99 A 37 LEU H A 38 ARG H 1.0 1.8 3.67 110 100 A 36 ARG H A 36 ARG HBy 1.0 1.8 2.65 111 101 A 36 ARG HBx A 36 ARG H 1.0 1.8 3.66 112 102 A 36 ARG H A 36 ARG HGx 1.0 1.8 3.55 113 102 A 36 ARG H A 36 ARG HGy 1.0 1.8 3.55 114 103 A 37 LEU H A 36 ARG H 1.0 1.8 3.69 115 104 A 46 VAL H A 46 VAL HG11 1.0 1.8 4.88 116 105 A 46 VAL H A 46 VAL HGy% 1.0 1.8 4.88 117 106 A 25 ARG H A 24 GLU HBx 1.0 1.8 4.09 118 106 A 24 GLU HBy A 25 ARG H 1.0 1.8 4.09 119 107 A 25 ARG H A 25 ARG HBx 1.0 1.8 3.92 120 108 A 25 ARG H A 25 ARG HBy 1.0 1.8 3.92 121 109 A 25 ARG H A 25 ARG HDx 1.0 1.8 5.50 122 110 A 25 ARG HA A 25 ARG HDy 1.0 1.8 5.50 123 111 A 25 ARG HA A 25 ARG HGx 1.0 1.8 3.90 124 112 A 24 GLU H A 25 ARG H 1.0 1.8 3.37 125 113 A 10 GLU H A 10 GLU HBx 1.0 1.8 3.84 126 113 A 10 GLU H A 10 GLU HBy 1.0 1.8 3.84 127 114 A 26 GLN H A 26 GLN HBx 1.0 1.8 4.11 128 114 A 26 GLN H A 26 GLN HBy 1.0 1.8 4.11 129 115 A 10 GLU H A 10 GLU HGx 1.0 1.8 4.49 130 115 A 10 GLU H A 10 GLU HGy 1.0 1.8 4.49 131 116 A 26 GLN H A 26 GLN HGx 1.0 1.8 4.72 132 116 A 26 GLN H A 26 GLN HGy 1.0 1.8 4.72 133 117 A 44 ARG H A 42 GLY HAx 1.0 1.8 5.07 134 117 A 42 GLY HAy A 44 ARG H 1.0 1.8 5.07 135 118 A 25 ARG H A 26 GLN H 1.0 1.8 3.30 136 119 A 26 GLN H A 27 ARG H 1.0 1.8 3.73 137 120 A 27 ARG H A 27 ARG HGx 1.0 1.8 4.46 138 120 A 27 ARG H A 27 ARG HGy 1.0 1.8 4.46 139 121 A 27 ARG H A 27 ARG HBx 1.0 1.8 4.06 140 122 A 27 ARG H A 27 ARG HBy 1.0 1.8 4.06 141 123 A 27 ARG H A 27 ARG HA 1.0 1.8 2.94 142 124 A 27 ARG HA A 27 ARG HDx 1.0 1.8 5.50 143 124 A 27 ARG HA A 27 ARG HDy 1.0 1.8 5.50 144 125 A 6 ARG H A 6 ARG HDx 1.0 1.8 5.31 145 125 A 6 ARG H A 6 ARG HDy 1.0 1.8 5.31 146 126 A 27 ARG H A 27 ARG HDx 1.0 1.8 5.50 147 126 A 27 ARG H A 27 ARG HDy 1.0 1.8 5.50 148 127 A 28 ARG H A 27 ARG HDx 1.0 1.8 5.50 149 127 A 27 ARG HDy A 28 ARG H 1.0 1.8 5.50 150 128 A 28 ARG H A 28 ARG HDx 1.0 1.8 5.50 151 128 A 28 ARG H A 28 ARG HDy 1.0 1.8 5.50 152 129 A 28 ARG H A 28 ARG HGx 1.0 1.8 4.81 153 129 A 28 ARG H A 28 ARG HGy 1.0 1.8 4.81 154 130 A 28 ARG HA A 28 ARG HGx 1.0 1.8 4.18 155 130 A 28 ARG HGy A 28 ARG HA 1.0 1.8 4.18 156 131 A 27 ARG H A 28 ARG H 1.0 1.8 3.75 157 132 A 29 CYS H A 29 CYS HBy 1.0 1.8 3.51 158 133 A 29 CYS H A 29 CYS HBx 1.0 1.8 3.51 159 134 A 30 GLN H A 29 CYS HBx 1.0 1.8 4.10 160 135 A 30 GLN H A 29 CYS HBy 1.0 1.8 4.10 161 136 A 30 GLN H A 30 GLN HBx 1.0 1.8 3.56 162 136 A 30 GLN H A 30 GLN HBy 1.0 1.8 3.56 163 137 A 30 GLN H A 30 GLN HGx 1.0 1.8 4.20 164 137 A 30 GLN H A 30 GLN HGy 1.0 1.8 4.20 165 138 A 28 ARG H A 29 CYS H 1.0 1.8 3.73 166 139 A 29 CYS H A 30 GLN H 1.0 1.8 3.66 167 140 A 31 GLN H A 31 GLN HGx 1.0 1.8 4.78 168 140 A 31 GLN H A 31 GLN HGy 1.0 1.8 4.78 169 141 A 31 GLN H A 31 GLN HBy 1.0 1.8 4.06 170 142 A 31 GLN H A 31 GLN HBx 1.0 1.8 4.06 171 143 A 30 GLN H A 31 GLN H 1.0 1.8 3.39 172 144 A 37 LEU H A 36 ARG HBy 1.0 1.8 3.74 173 145 A 32 VAL H A 31 GLN H 1.0 1.8 3.83 174 146 A 23 VAL H A 22 GLY . 1.0 1.8 3.30 175 147 A 21 HIS H A 22 GLY H 1.0 1.8 4.59 176 148 A 20 GLU H A 21 HIS H 1.0 1.8 5.50 177 149 A 45 GLU H A 45 GLU HGx 1.0 1.8 5.50 178 149 A 45 GLU H A 45 GLU HGy 1.0 1.8 5.50 179 150 A 46 VAL H A 45 GLU HA 1.0 1.8 3.26 180 151 A 44 ARG H A 44 ARG HBy 1.0 1.8 3.75 181 152 A 44 ARG H A 44 ARG HBx 1.0 1.8 3.75 182 153 A 44 ARG H A 44 ARG HGx 1.0 1.8 4.04 183 153 A 44 ARG H A 44 ARG HGy 1.0 1.8 4.04 184 154 A 44 ARG HA A 44 ARG HDx 1.0 1.8 5.50 185 154 A 44 ARG HA A 44 ARG HDy 1.0 1.8 5.50 186 155 A 44 ARG HA A 44 ARG HGx 1.0 1.8 3.97 187 155 A 44 ARG HGy A 44 ARG HA 1.0 1.8 3.97 188 156 A 6 ARG HDy A 6 ARG HBx 1.0 1.8 4.19 189 156 A 6 ARG HBx A 6 ARG HDx 1.0 1.8 4.19 190 157 A 45 GLU H A 44 ARG HBy 1.0 1.8 5.50 191 158 A 45 GLU H A 44 ARG HGx 1.0 1.8 5.50 192 158 A 45 GLU H A 44 ARG HGy 1.0 1.8 5.50 193 159 A 45 GLU H A 44 ARG HBx 1.0 1.8 5.50 194 160 A 16 CYS HBx A 17 GLN H 1.0 1.8 5.31 195 161 A 17 GLN H A 16 CYS HBy 1.0 1.8 5.31 196 162 A 17 GLN H A 17 GLN HGx 1.0 1.8 5.03 197 162 A 17 GLN H A 17 GLN HGy 1.0 1.8 5.03 198 163 A 17 GLN HA A 17 GLN HGx 1.0 1.8 3.59 199 163 A 17 GLN HGy A 17 GLN HA 1.0 1.8 3.59 200 164 A 17 GLN H A 16 CYS H 1.0 1.8 3.99 201 165 A 18 VAL H A 17 GLN H 1.0 1.8 3.60 202 166 A 14 VAL HA A 17 GLN H 1.0 1.8 5.50 203 167 A 2 ARG H A 2 ARG HDx 1.0 1.8 5.50 204 167 A 2 ARG H A 2 ARG HDy 1.0 1.8 5.50 205 168 A 2 ARG H A 2 ARG HGx 1.0 1.8 5.11 206 168 A 2 ARG H A 2 ARG HGy 1.0 1.8 5.11 207 169 A 2 ARG HA A 3 GLY H 1.0 1.8 3.20 208 170 A 19 ALA HB% A 20 GLU H 1.0 1.8 4.28 209 171 A 42 GLY H A 42 GLY HAx 1.0 1.8 2.94 210 171 A 42 GLY HAy A 42 GLY H 1.0 1.8 2.94 211 172 A 9 TYR H A 8 GLU HGx 1.0 1.8 5.45 212 172 A 8 GLU HGy A 9 TYR H 1.0 1.8 5.45 213 173 A 14 VAL HB A 15 ARG H 1.0 1.8 3.73 214 174 A 41 GLU HA A 41 GLU HGy 1.0 1.8 4.07 215 175 A 41 GLU HA A 41 GLU HGx 1.0 1.8 4.07 216 176 A 42 GLY H A 41 GLU H 1.0 1.8 3.26 217 177 A 43 ARG H A 42 GLY HAx 1.0 1.8 3.23 218 177 A 42 GLY HAy A 43 ARG H 1.0 1.8 3.23 219 178 A 43 ARG H A 43 ARG HDx 1.0 1.8 4.93 220 178 A 43 ARG H A 43 ARG HDy 1.0 1.8 4.93 221 179 A 38 ARG H A 38 ARG HBx 1.0 1.8 3.81 222 180 A 43 ARG H A 43 ARG HGx 1.0 1.8 4.14 223 180 A 43 ARG H A 43 ARG HGy 1.0 1.8 4.14 224 181 A 2 ARG HA A 2 ARG HDx 1.0 1.8 5.23 225 181 A 2 ARG HDy A 2 ARG HA 1.0 1.8 5.23 226 182 A 43 ARG HA A 43 ARG HDx 1.0 1.8 5.50 227 182 A 43 ARG HDy A 43 ARG HA 1.0 1.8 5.50 228 183 A 43 ARG HA A 43 ARG HGx 1.0 1.8 3.74 229 183 A 43 ARG HGy A 43 ARG HA 1.0 1.8 3.74 230 184 A 44 ARG H A 43 ARG H 1.0 1.8 3.82 231 185 A 34 GLU H A 34 GLU HGx 1.0 1.8 4.10 232 185 A 34 GLU H A 34 GLU HGy 1.0 1.8 4.10 233 186 A 34 GLU H A 34 GLU HBx 1.0 1.8 3.87 234 186 A 34 GLU H A 34 GLU HBy 1.0 1.8 3.87 235 187 A 34 GLU HA A 34 GLU HGx 1.0 1.8 4.25 236 187 A 34 GLU HGy A 34 GLU HA 1.0 1.8 4.25 237 188 A 35 LYS H A 35 LYS HEx 1.0 1.8 5.50 238 188 A 35 LYS H A 35 LYS HEy 1.0 1.8 5.50 239 189 A 35 LYS HA A 35 LYS HEx 1.0 1.8 5.50 240 189 A 35 LYS HEy A 35 LYS HA 1.0 1.8 5.50 241 190 A 33 CYS H A 34 GLU H 1.0 1.8 4.20 242 191 A 7 THR H A 6 ARG HDx 1.0 1.8 5.50 243 191 A 7 THR H A 6 ARG HDy 1.0 1.8 5.50 244 192 A 40 ARG H A 40 ARG HDx 1.0 1.8 5.50 245 192 A 40 ARG H A 40 ARG HDy 1.0 1.8 5.50 246 193 A 28 ARG HA A 28 ARG HDx 1.0 1.8 4.54 247 193 A 28 ARG HDy A 28 ARG HA 1.0 1.8 4.54 248 194 A 40 ARG HA A 40 ARG HDx 1.0 1.8 4.76 249 194 A 40 ARG HDy A 40 ARG HA 1.0 1.8 4.76 250 195 A 39 GLU H A 39 GLU HGy 1.0 1.8 3.79 251 196 A 39 GLU HA A 39 GLU HGy 1.0 1.8 4.02 252 197 A 39 GLU HA A 39 GLU HGx 1.0 1.8 4.02 253 198 A 39 GLU H A 39 GLU HGx 1.0 1.8 3.79 254 199 A 42 GLY H A 39 GLU HBx 1.0 1.8 5.50 255 200 A 42 GLY H A 39 GLU HBy 1.0 1.8 5.50 256 201 A 14 VAL H A 15 ARG H 1.0 1.8 3.65 257 202 A 41 GLU H A 40 ARG H 1.0 1.8 4.02 258 203 A 15 ARG H A 15 ARG HDx 1.0 1.8 5.50 259 203 A 15 ARG H A 15 ARG HDy 1.0 1.8 5.50 260 204 A 41 GLU H A 40 ARG HDx 1.0 1.8 5.50 261 204 A 41 GLU H A 40 ARG HDy 1.0 1.8 5.50 262 205 A 36 ARG H A 36 ARG HDy 1.0 1.8 5.21 263 206 A 36 ARG HA A 36 ARG HDy 1.0 1.8 5.00 264 207 A 38 ARG HA A 38 ARG HDx 1.0 1.8 4.67 265 207 A 38 ARG HDy A 38 ARG HA 1.0 1.8 4.67 266 208 A 38 ARG HDy A 38 ARG HBy 1.0 1.8 3.86 267 208 A 38 ARG HBy A 38 ARG HDx 1.0 1.8 3.86 268 209 A 38 ARG HDy A 38 ARG HBx 1.0 1.8 3.86 269 209 A 38 ARG HBx A 38 ARG HDx 1.0 1.8 3.86 270 210 A 6 ARG H A 5 PRO HDx 1.0 1.8 4.33 271 210 A 6 ARG H A 5 PRO HDy 1.0 1.8 4.33 272 211 A 6 ARG H A 5 PRO HGy 1.0 1.8 4.25 273 212 A 6 ARG H A 5 PRO HGx 1.0 1.8 4.25 274 213 A 2 ARG H A 1 PRO HGx 1.0 1.8 5.50 275 213 A 2 ARG H A 1 PRO HGy 1.0 1.8 5.50 276 214 A 10 GLU H A 9 TYR HBx 1.0 1.8 5.50 277 215 A 10 GLU H A 9 TYR HBy 1.0 1.8 5.50 278 216 A 36 ARG HBy A 36 ARG HE 1.0 1.8 3.86 279 217 A 36 ARG HBx A 36 ARG HE 1.0 1.8 4.77 280 218 A 36 ARG H A 36 ARG HDx 1.0 1.8 5.21 281 219 A 9 TYR HD% A 37 LEU HDy% 1.0 1.8 4.14 282 220 A 9 TYR HD% A 37 LEU HDx% 1.0 1.8 4.14 283 221 A 9 TYR HD% A 37 LEU HG 1.0 1.8 5.26 284 222 A 9 TYR HE% A 37 LEU HG 1.0 1.8 5.06 285 223 A 9 TYR HE% A 37 LEU HBx 1.0 1.8 5.14 286 224 A 9 TYR HE% A 37 LEU HBy 1.0 1.8 5.14 287 225 A 13 ARG HE A 13 ARG HBy 1.0 1.8 5.13 288 226 A 13 ARG HE A 13 ARG HBx 1.0 1.8 5.13 289 227 A 25 ARG HE A 25 ARG HBx 1.0 1.8 5.31 290 228 A 25 ARG HE A 25 ARG HBy 1.0 1.8 5.31 291 229 A 25 ARG HA A 25 ARG HDx 1.0 1.8 5.50 292 230 A 25 ARG H A 25 ARG HDy 1.0 1.8 5.50 293 231 A 25 ARG HA A 25 ARG HGy 1.0 1.8 3.90 294 232 A 27 ARG HE A 27 ARG HBy 1.0 1.8 5.09 295 233 A 27 ARG HE A 27 ARG HBx 1.0 1.8 5.09 296 234 A 44 ARG HE A 44 ARG HBx 1.0 1.8 5.50 297 235 A 44 ARG HE A 44 ARG HBy 1.0 1.8 5.50 298 236 A 43 ARG HE A 43 ARG HBx 1.0 1.8 5.50 299 237 A 2 ARG HE A 2 ARG HBy 1.0 1.8 5.50 300 238 A 2 ARG HE A 2 ARG HBx 1.0 1.8 5.50 301 239 A 43 ARG HE A 43 ARG HBy 1.0 1.8 5.50 302 240 A 13 ARG HE A 13 ARG HA 1.0 1.8 5.50 303 241 A 38 ARG HA A 38 ARG HE 1.0 1.8 5.50 304 242 A 40 ARG HA A 40 ARG HE 1.0 1.8 5.50 305 243 A 2 ARG HA A 2 ARG HE 1.0 1.8 5.50 306 244 A 43 ARG HA A 43 ARG HE 1.0 1.8 5.50 307 245 A 44 ARG HA A 44 ARG HE 1.0 1.8 5.50 308 246 A 27 ARG HA A 27 ARG HE 1.0 1.8 5.44 309 247 A 28 ARG HA A 28 ARG HE 1.0 1.8 5.50 310 248 A 3 GLY H A 2 ARG HE 1.0 1.8 5.50 311 249 A 9 TYR HD% A 34 GLU HA 1.0 1.8 3.81 312 250 A 9 TYR HE% A 34 GLU HA 1.0 1.8 3.75 313 251 A 38 ARG H A 37 LEU HDx% 1.0 1.8 5.50 314 252 A 38 ARG H A 37 LEU HDy% 1.0 1.8 5.50 315 253 A 37 LEU HG A 38 ARG H 1.0 1.8 5.50 316 254 A 9 TYR H A 37 LEU HDx% 1.0 1.8 5.50 317 255 A 9 TYR H A 37 LEU HDy% 1.0 1.8 5.50 318 256 A 21 HIS H A 20 GLU HGx 1.0 1.8 5.50 319 257 A 36 ARG H A 35 LYS H 1.0 1.8 3.85 320 258 A 9 TYR HBy A 37 LEU HDx% 1.0 1.8 5.46 321 259 A 9 TYR HBx A 37 LEU HDx% 1.0 1.8 5.46 322 260 A 37 LEU HDy% A 9 TYR HBy 1.0 1.8 5.46 323 261 A 37 LEU HDy% A 9 TYR HBx 1.0 1.8 5.46 324 262 A 34 GLU HA A 37 LEU HDx% 1.0 1.8 5.50 325 263 A 38 ARG HA A 37 LEU HDx% 1.0 1.8 5.50 326 264 A 34 GLU HA A 37 LEU HDy% 1.0 1.8 5.50 327 265 A 38 ARG HA A 37 LEU HDy% 1.0 1.8 5.50 328 266 A 6 ARG HA A 9 TYR HD% 1.0 1.8 4.34 329 267 A 9 TYR HD% A 33 CYS HA 1.0 1.8 5.01 330 268 A 9 TYR HE% A 10 GLU HGx 1.0 1.8 5.10 331 268 A 9 TYR HE% A 10 GLU HGy 1.0 1.8 5.10 332 269 A 9 TYR HE% A 10 GLU HBx 1.0 1.8 4.46 333 269 A 9 TYR HE% A 10 GLU HBy 1.0 1.8 4.46 334 270 A 9 TYR HD% A 6 ARG HGx 1.0 1.8 5.50 335 270 A 6 ARG HGy A 9 TYR HD% 1.0 1.8 5.50 336 271 A 11 ALA HB% A 10 GLU HBx 1.0 1.8 4.47 337 271 A 11 ALA HB% A 10 GLU HBy 1.0 1.8 4.47 338 272 A 9 TYR HA A 12 CYS HBy 1.0 1.8 4.52 339 273 A 4 SER HA A 5 PRO HDx 1.0 1.8 2.98 340 273 A 5 PRO HDy A 4 SER HA 1.0 1.8 2.98 341 274 A 7 THR HG2% A 6 ARG H 1.0 1.8 4.89 342 275 A 41 GLU H A 40 ARG HGx 1.0 1.8 5.50 343 275 A 41 GLU H A 40 ARG HGy 1.0 1.8 5.50 344 276 A 25 ARG H A 26 GLN HBx 1.0 1.8 4.69 345 276 A 25 ARG H A 26 GLN HBy 1.0 1.8 4.69 346 277 A 3 GLY H A 2 ARG HGx 1.0 1.8 5.08 347 277 A 2 ARG HGy A 3 GLY H 1.0 1.8 5.08 348 278 A 42 GLY H A 39 GLU HA 1.0 1.8 3.48 349 279 A 19 ALA HB% A 16 CYS HA 1.0 1.8 4.38 350 280 A 19 ALA H A 16 CYS HA 1.0 1.8 5.37 351 281 A 14 VAL HA A 17 GLN HBy 1.0 1.8 5.19 352 282 A 14 VAL HA A 17 GLN HGx 1.0 1.8 4.07 353 282 A 14 VAL HA A 17 GLN HGy 1.0 1.8 4.07 354 283 A 14 VAL HA A 17 GLN HBx 1.0 1.8 5.19 355 284 A 14 VAL H A 15 ARG HA 1.0 1.8 5.42 356 285 A 9 TYR HE% A 10 GLU H 1.0 1.8 4.71 357 286 A 9 TYR HE% A 34 GLU H 1.0 1.8 5.15 358 287 A 2 ARG HBx A 2 ARG HDx 1.0 1.8 3.58 359 287 A 2 ARG HBy A 2 ARG HDx 1.0 1.8 3.58 360 287 A 2 ARG HDy A 2 ARG HBx 1.0 1.8 3.58 361 287 A 2 ARG HDy A 2 ARG HBy 1.0 1.8 3.58 362 288 A 4 SER H A 4 SER HBy 1.0 1.8 3.54 363 288 A 4 SER H A 4 SER HBx 1.0 1.8 3.54 364 289 A 6 ARG H A 4 SER HBy 1.0 1.8 3.70 365 289 A 6 ARG H A 4 SER HBx 1.0 1.8 3.70 366 290 A 6 ARG H A 5 PRO HBy 1.0 1.8 3.49 367 290 A 6 ARG H A 5 PRO HBx 1.0 1.8 3.49 368 291 A 5 PRO HBx A 37 LEU HDx% 1.0 1.8 3.71 369 291 A 5 PRO HBy A 37 LEU HDx% 1.0 1.8 3.71 370 291 A 37 LEU HDy% A 5 PRO HBy 1.0 1.8 3.71 371 291 A 5 PRO HBx A 37 LEU HDy% 1.0 1.8 3.71 372 292 A 6 ARG H A 5 PRO HGx 1.0 1.8 3.61 373 292 A 6 ARG H A 5 PRO HGy 1.0 1.8 3.61 374 293 A 5 PRO HGy A 37 LEU HDx% 1.0 1.8 4.31 375 293 A 37 LEU HDy% A 5 PRO HGx 1.0 1.8 4.31 376 293 A 37 LEU HDy% A 5 PRO HGy 1.0 1.8 4.31 377 293 A 5 PRO HGx A 37 LEU HDx% 1.0 1.8 4.31 378 294 A 6 ARG H A 6 ARG HBx 1.0 1.8 3.05 379 294 A 6 ARG H A 6 ARG HBy 1.0 1.8 3.05 380 295 A 6 ARG H A 37 LEU HDx% 1.0 1.8 4.70 381 295 A 6 ARG H A 37 LEU HDy% 1.0 1.8 4.70 382 296 A 6 ARG HA A 37 LEU HDx% 1.0 1.8 4.01 383 296 A 6 ARG HA A 37 LEU HDy% 1.0 1.8 4.01 384 297 A 6 ARG HBx A 6 ARG HDx 1.0 1.8 3.65 385 297 A 6 ARG HDy A 6 ARG HBx 1.0 1.8 3.65 386 297 A 6 ARG HDy A 6 ARG HBy 1.0 1.8 3.65 387 297 A 6 ARG HBy A 6 ARG HDx 1.0 1.8 3.65 388 298 A 6 ARG HE A 6 ARG HBx 1.0 1.8 4.60 389 298 A 6 ARG HBy A 6 ARG HE 1.0 1.8 4.60 390 299 A 7 THR H A 6 ARG HBx 1.0 1.8 3.51 391 299 A 7 THR H A 6 ARG HBy 1.0 1.8 3.51 392 300 A 9 TYR H A 8 GLU HBy 1.0 1.8 3.28 393 300 A 9 TYR H A 8 GLU HBx 1.0 1.8 3.28 394 301 A 9 TYR HD% A 8 GLU HBy 1.0 1.8 5.34 395 301 A 9 TYR HD% A 8 GLU HBx 1.0 1.8 5.34 396 302 A 8 GLU HBx A 37 LEU HDx% 1.0 1.8 4.84 397 302 A 8 GLU HBy A 37 LEU HDx% 1.0 1.8 4.84 398 302 A 37 LEU HDy% A 8 GLU HBy 1.0 1.8 4.84 399 302 A 37 LEU HDy% A 8 GLU HBx 1.0 1.8 4.84 400 303 A 8 GLU HGy A 37 LEU HDx% 1.0 1.8 5.25 401 303 A 8 GLU HGx A 37 LEU HDx% 1.0 1.8 5.25 402 303 A 37 LEU HDy% A 8 GLU HGx 1.0 1.8 5.25 403 303 A 8 GLU HGy A 37 LEU HDy% 1.0 1.8 5.25 404 304 A 9 TYR H A 9 TYR HBx 1.0 1.8 2.95 405 304 A 9 TYR H A 9 TYR HBy 1.0 1.8 2.95 406 305 A 9 TYR H A 37 LEU HDx% 1.0 1.8 4.36 407 305 A 9 TYR H A 37 LEU HDy% 1.0 1.8 4.36 408 306 A 9 TYR HA A 12 CYS HBx 1.0 1.8 3.78 409 306 A 9 TYR HA A 12 CYS HBy 1.0 1.8 3.78 410 307 A 9 TYR HA A 37 LEU HDx% 1.0 1.8 4.69 411 307 A 9 TYR HA A 37 LEU HDy% 1.0 1.8 4.69 412 308 A 34 GLU HA A 9 TYR HBx 1.0 1.8 5.34 413 308 A 34 GLU HA A 9 TYR HBy 1.0 1.8 5.34 414 309 A 37 LEU HA A 9 TYR HBx 1.0 1.8 5.34 415 309 A 37 LEU HA A 9 TYR HBy 1.0 1.8 5.34 416 310 A 9 TYR HBx A 37 LEU HDx% 1.0 1.8 3.22 417 310 A 37 LEU HDy% A 9 TYR HBx 1.0 1.8 3.22 418 310 A 37 LEU HDy% A 9 TYR HBy 1.0 1.8 3.22 419 310 A 9 TYR HBy A 37 LEU HDx% 1.0 1.8 3.22 420 311 A 9 TYR HD% A 13 ARG HDx 1.0 1.8 4.80 421 311 A 9 TYR HD% A 13 ARG HDy 1.0 1.8 4.80 422 312 A 9 TYR HD% A 33 CYS HBx 1.0 1.8 4.36 423 312 A 9 TYR HD% A 33 CYS HBy 1.0 1.8 4.36 424 313 A 9 TYR HD% A 37 LEU HBx 1.0 1.8 3.32 425 313 A 9 TYR HD% A 37 LEU HBy 1.0 1.8 3.32 426 314 A 9 TYR HE% A 13 ARG HDx 1.0 1.8 3.85 427 314 A 9 TYR HE% A 13 ARG HDy 1.0 1.8 3.85 428 315 A 9 TYR HE% A 33 CYS HBx 1.0 1.8 4.48 429 315 A 9 TYR HE% A 33 CYS HBy 1.0 1.8 4.48 430 316 A 9 TYR HE% A 37 LEU HBx 1.0 1.8 4.39 431 316 A 9 TYR HE% A 37 LEU HBy 1.0 1.8 4.39 432 317 A 9 TYR HE% A 37 LEU HDx% 1.0 1.8 4.71 433 317 A 9 TYR HE% A 37 LEU HDy% 1.0 1.8 4.71 434 318 A 12 CYS H A 12 CYS HBx 1.0 1.8 2.94 435 318 A 12 CYS H A 12 CYS HBy 1.0 1.8 2.94 436 319 A 13 ARG H A 12 CYS HBx 1.0 1.8 3.47 437 319 A 13 ARG H A 12 CYS HBy 1.0 1.8 3.47 438 320 A 13 ARG H A 13 ARG HBx 1.0 1.8 3.14 439 320 A 13 ARG H A 13 ARG HBy 1.0 1.8 3.14 440 321 A 13 ARG H A 13 ARG HGy 1.0 1.8 3.81 441 321 A 13 ARG H A 13 ARG HGx 1.0 1.8 3.81 442 322 A 13 ARG HA A 13 ARG HDx 1.0 1.8 4.26 443 322 A 13 ARG HA A 13 ARG HDy 1.0 1.8 4.26 444 323 A 14 VAL H A 14 VAL HGy% 1.0 1.8 3.03 445 323 A 14 VAL H A 14 VAL HG11 1.0 1.8 3.03 446 324 A 14 VAL HA A 14 VAL HGy% 1.0 1.8 2.79 447 324 A 14 VAL HA A 14 VAL HG11 1.0 1.8 2.79 448 325 A 14 VAL HA A 17 GLN HBx 1.0 1.8 4.37 449 325 A 14 VAL HA A 17 GLN HBy 1.0 1.8 4.37 450 326 A 15 ARG HA A 15 ARG HGy 1.0 1.8 3.26 451 326 A 15 ARG HA A 15 ARG HGx 1.0 1.8 3.26 452 327 A 15 ARG HBy A 15 ARG HDx 1.0 1.8 3.58 453 327 A 15 ARG HBx A 15 ARG HDx 1.0 1.8 3.58 454 327 A 15 ARG HDy A 15 ARG HBy 1.0 1.8 3.58 455 327 A 15 ARG HDy A 15 ARG HBx 1.0 1.8 3.58 456 328 A 17 GLN H A 17 GLN HBx 1.0 1.8 3.39 457 328 A 17 GLN H A 17 GLN HBy 1.0 1.8 3.39 458 329 A 18 VAL H A 18 VAL HGy% 1.0 1.8 3.67 459 329 A 18 VAL H A 18 VAL HG11 1.0 1.8 3.67 460 330 A 18 VAL HA A 18 VAL HGy% 1.0 1.8 2.65 461 330 A 18 VAL HA A 18 VAL HG11 1.0 1.8 2.65 462 331 A 19 ALA HB% A 18 VAL HGy% 1.0 1.8 4.38 463 331 A 19 ALA HB% A 18 VAL HG11 1.0 1.8 4.38 464 332 A 20 GLU H A 18 VAL HGy% 1.0 1.8 5.12 465 332 A 20 GLU H A 18 VAL HG11 1.0 1.8 5.12 466 333 A 19 ALA HB% A 20 GLU HGx 1.0 1.8 3.90 467 333 A 19 ALA HB% A 20 GLU HGy 1.0 1.8 3.90 468 334 A 20 GLU H A 20 GLU HGx 1.0 1.8 4.26 469 334 A 20 GLU H A 20 GLU HGy 1.0 1.8 4.26 470 335 A 21 HIS H A 20 GLU HBy 1.0 1.8 3.43 471 335 A 21 HIS H A 20 GLU HBx 1.0 1.8 3.43 472 336 A 22 GLY H A 20 GLU HBy 1.0 1.8 5.12 473 336 A 22 GLY H A 20 GLU HBx 1.0 1.8 5.12 474 337 A 20 GLU HGy A 29 CYS HBx 1.0 1.8 4.30 475 337 A 20 GLU HGx A 29 CYS HBx 1.0 1.8 4.30 476 337 A 29 CYS HBy A 20 GLU HGx 1.0 1.8 4.30 477 337 A 20 GLU HGy A 29 CYS HBy 1.0 1.8 4.30 478 338 A 21 HIS H A 21 HIS HBx 1.0 1.8 3.13 479 338 A 21 HIS H A 21 HIS HBy 1.0 1.8 3.13 480 339 A 23 VAL H A 23 VAL HGy% 1.0 1.8 3.33 481 339 A 23 VAL H A 23 VAL HG11 1.0 1.8 3.33 482 340 A 23 VAL HA A 23 VAL HGy% 1.0 1.8 3.05 483 340 A 23 VAL HA A 23 VAL HG11 1.0 1.8 3.05 484 341 A 25 ARG H A 25 ARG HGx 1.0 1.8 3.07 485 341 A 25 ARG H A 25 ARG HGy 1.0 1.8 3.07 486 342 A 25 ARG HA A 25 ARG HDx 1.0 1.8 4.76 487 342 A 25 ARG HA A 25 ARG HDy 1.0 1.8 4.76 488 343 A 25 ARG HBy A 25 ARG HDx 1.0 1.8 3.32 489 343 A 25 ARG HBx A 25 ARG HDx 1.0 1.8 3.32 490 343 A 25 ARG HDy A 25 ARG HBx 1.0 1.8 3.32 491 343 A 25 ARG HDy A 25 ARG HBy 1.0 1.8 3.32 492 344 A 25 ARG HE A 25 ARG HBx 1.0 1.8 4.48 493 344 A 25 ARG HE A 25 ARG HBy 1.0 1.8 4.48 494 345 A 27 ARG H A 27 ARG HBx 1.0 1.8 3.43 495 345 A 27 ARG H A 27 ARG HBy 1.0 1.8 3.43 496 346 A 27 ARG HBx A 27 ARG HDx 1.0 1.8 3.59 497 346 A 27 ARG HBy A 27 ARG HDx 1.0 1.8 3.59 498 346 A 27 ARG HDy A 27 ARG HBx 1.0 1.8 3.59 499 346 A 27 ARG HDy A 27 ARG HBy 1.0 1.8 3.59 500 347 A 27 ARG HE A 27 ARG HBx 1.0 1.8 4.37 501 347 A 27 ARG HE A 27 ARG HBy 1.0 1.8 4.37 502 348 A 28 ARG H A 27 ARG HBx 1.0 1.8 4.26 503 348 A 28 ARG H A 27 ARG HBy 1.0 1.8 4.26 504 349 A 28 ARG H A 28 ARG HBy 1.0 1.8 3.06 505 349 A 28 ARG H A 28 ARG HBx 1.0 1.8 3.06 506 350 A 28 ARG HE A 28 ARG HBy 1.0 1.8 4.06 507 350 A 28 ARG HE A 28 ARG HBx 1.0 1.8 4.06 508 351 A 29 CYS H A 28 ARG HBy 1.0 1.8 3.55 509 351 A 29 CYS H A 28 ARG HBx 1.0 1.8 3.55 510 352 A 29 CYS H A 29 CYS HBx 1.0 1.8 3.06 511 352 A 29 CYS H A 29 CYS HBy 1.0 1.8 3.06 512 353 A 30 GLN H A 29 CYS HBx 1.0 1.8 3.30 513 353 A 30 GLN H A 29 CYS HBy 1.0 1.8 3.30 514 354 A 31 GLN H A 31 GLN HBx 1.0 1.8 3.31 515 354 A 31 GLN H A 31 GLN HBy 1.0 1.8 3.31 516 355 A 32 VAL H A 31 GLN HBx 1.0 1.8 4.06 517 355 A 32 VAL H A 31 GLN HBy 1.0 1.8 4.06 518 356 A 32 VAL H A 32 VAL HGy% 1.0 1.8 3.75 519 356 A 32 VAL H A 32 VAL HG11 1.0 1.8 3.75 520 357 A 32 VAL HA A 32 VAL HGy% 1.0 1.8 2.83 521 357 A 32 VAL HA A 32 VAL HG11 1.0 1.8 2.83 522 358 A 33 CYS H A 32 VAL HGy% 1.0 1.8 4.46 523 358 A 33 CYS H A 32 VAL HG11 1.0 1.8 4.46 524 359 A 33 CYS H A 33 CYS HBx 1.0 1.8 3.58 525 359 A 33 CYS H A 33 CYS HBy 1.0 1.8 3.58 526 360 A 34 GLU H A 33 CYS HBx 1.0 1.8 3.62 527 360 A 34 GLU H A 33 CYS HBy 1.0 1.8 3.62 528 361 A 35 LYS H A 35 LYS HBy 1.0 1.8 3.02 529 361 A 35 LYS H A 35 LYS HBx 1.0 1.8 3.02 530 362 A 35 LYS H A 35 LYS HGy 1.0 1.8 4.25 531 362 A 35 LYS H A 35 LYS HGx 1.0 1.8 4.25 532 363 A 35 LYS HBy A 35 LYS HEx 1.0 1.8 3.39 533 363 A 35 LYS HBx A 35 LYS HEx 1.0 1.8 3.39 534 363 A 35 LYS HEy A 35 LYS HBy 1.0 1.8 3.39 535 363 A 35 LYS HEy A 35 LYS HBx 1.0 1.8 3.39 536 364 A 36 ARG H A 36 ARG HDx 1.0 1.8 4.49 537 364 A 36 ARG H A 36 ARG HDy 1.0 1.8 4.49 538 365 A 36 ARG HA A 36 ARG HDx 1.0 1.8 4.17 539 365 A 36 ARG HA A 36 ARG HDy 1.0 1.8 4.17 540 366 A 37 LEU H A 37 LEU HBx 1.0 1.8 3.32 541 366 A 37 LEU H A 37 LEU HBy 1.0 1.8 3.32 542 367 A 37 LEU H A 37 LEU HDx% 1.0 1.8 4.47 543 367 A 37 LEU H A 37 LEU HDy% 1.0 1.8 4.47 544 368 A 37 LEU HA A 37 LEU HDx% 1.0 1.8 3.06 545 368 A 37 LEU HA A 37 LEU HDy% 1.0 1.8 3.06 546 369 A 37 LEU HBy A 37 LEU HDx% 1.0 1.8 2.76 547 369 A 37 LEU HBx A 37 LEU HDx% 1.0 1.8 2.76 548 369 A 37 LEU HDy% A 37 LEU HBx 1.0 1.8 2.76 549 369 A 37 LEU HDy% A 37 LEU HBy 1.0 1.8 2.76 550 370 A 38 ARG H A 37 LEU HBx 1.0 1.8 3.56 551 370 A 38 ARG H A 37 LEU HBy 1.0 1.8 3.56 552 371 A 38 ARG H A 37 LEU HDx% 1.0 1.8 4.76 553 371 A 38 ARG H A 37 LEU HDy% 1.0 1.8 4.76 554 372 A 38 ARG HBx A 38 ARG HDx 1.0 1.8 3.28 555 372 A 38 ARG HBy A 38 ARG HDx 1.0 1.8 3.28 556 372 A 38 ARG HDy A 38 ARG HBx 1.0 1.8 3.28 557 372 A 38 ARG HDy A 38 ARG HBy 1.0 1.8 3.28 558 373 A 38 ARG HE A 38 ARG HBx 1.0 1.8 5.34 559 373 A 38 ARG HE A 38 ARG HBy 1.0 1.8 5.34 560 374 A 39 GLU H A 39 GLU HBy 1.0 1.8 3.52 561 374 A 39 GLU H A 39 GLU HBx 1.0 1.8 3.52 562 375 A 39 GLU H A 39 GLU HGx 1.0 1.8 3.16 563 375 A 39 GLU H A 39 GLU HGy 1.0 1.8 3.16 564 376 A 39 GLU HA A 39 GLU HGx 1.0 1.8 3.31 565 376 A 39 GLU HA A 39 GLU HGy 1.0 1.8 3.31 566 377 A 40 ARG H A 40 ARG HBy 1.0 1.8 3.09 567 377 A 40 ARG H A 40 ARG HBx 1.0 1.8 3.09 568 378 A 40 ARG HE A 40 ARG HBy 1.0 1.8 4.50 569 378 A 40 ARG HE A 40 ARG HBx 1.0 1.8 4.50 570 379 A 41 GLU H A 41 GLU HBy 1.0 1.8 3.32 571 379 A 41 GLU H A 41 GLU HBx 1.0 1.8 3.32 572 380 A 41 GLU H A 41 GLU HGx 1.0 1.8 2.99 573 380 A 41 GLU H A 41 GLU HGy 1.0 1.8 2.99 574 381 A 41 GLU HA A 41 GLU HGx 1.0 1.8 3.57 575 381 A 41 GLU HA A 41 GLU HGy 1.0 1.8 3.57 576 382 A 42 GLY H A 41 GLU HBy 1.0 1.8 3.98 577 382 A 42 GLY H A 41 GLU HBx 1.0 1.8 3.98 578 383 A 43 ARG H A 43 ARG HBx 1.0 1.8 3.66 579 383 A 43 ARG H A 43 ARG HBy 1.0 1.8 3.66 580 384 A 44 ARG H A 44 ARG HBx 1.0 1.8 3.15 581 384 A 44 ARG H A 44 ARG HBy 1.0 1.8 3.15 582 385 A 44 ARG HBx A 44 ARG HDx 1.0 1.8 3.62 583 385 A 44 ARG HBy A 44 ARG HDx 1.0 1.8 3.62 584 385 A 44 ARG HDy A 44 ARG HBx 1.0 1.8 3.62 585 385 A 44 ARG HDy A 44 ARG HBy 1.0 1.8 3.62 586 386 A 46 VAL H A 46 VAL HGy% 1.0 1.8 4.06 587 386 A 46 VAL H A 46 VAL HG11 1.0 1.8 4.06 588 387 A 47 ASP H A 46 VAL HGy% 1.0 1.8 4.56 589 387 A 46 VAL HG11 A 47 ASP H 1.0 1.8 4.56 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 10 GLU H A 6 ARG O 1.0 0.0 2.3 2 2 A 6 ARG O A 10 GLU N 1.0 0.0 3.3 3 3 A 11 ALA H A 7 THR O 1.0 0.0 2.3 4 4 A 7 THR O A 11 ALA N 1.0 0.0 3.3 5 5 A 12 CYS H A 8 GLU O 1.0 0.0 2.3 6 6 A 8 GLU O A 12 CYS N 1.0 0.0 3.3 7 7 A 14 VAL H A 10 GLU O 1.0 0.0 2.3 8 8 A 10 GLU O A 14 VAL N 1.0 0.0 3.3 9 9 A 16 CYS H A 12 CYS O 1.0 0.0 2.3 10 10 A 12 CYS O A 16 CYS N 1.0 0.0 3.3 11 11 A 17 GLN H A 13 ARG O 1.0 0.0 2.3 12 12 A 13 ARG O A 17 GLN N 1.0 0.0 3.3 13 13 A 18 VAL H A 14 VAL O 1.0 0.0 2.3 14 14 A 14 VAL O A 18 VAL N 1.0 0.0 3.3 15 15 A 20 GLU H A 16 CYS O 1.0 0.0 2.3 16 16 A 16 CYS O A 20 GLU N 1.0 0.0 3.3 17 17 A 26 GLN H A 22 GLY O 1.0 0.0 2.3 18 18 A 22 GLY O A 26 GLN N 1.0 0.0 3.3 19 19 A 29 CYS H A 25 ARG O 1.0 0.0 2.3 20 20 A 25 ARG O A 29 CYS N 1.0 0.0 3.3 21 21 A 30 GLN H A 26 GLN O 1.0 0.0 2.3 22 22 A 26 GLN O A 30 GLN N 1.0 0.0 3.3 23 23 A 32 VAL H A 28 ARG O 1.0 0.0 2.3 24 24 A 28 ARG O A 32 VAL N 1.0 0.0 3.3 25 25 A 33 CYS H A 29 CYS O 1.0 0.0 2.3 26 26 A 29 CYS O A 33 CYS N 1.0 0.0 3.3 27 27 A 36 ARG H A 32 VAL O 1.0 0.0 2.3 28 28 A 32 VAL O A 36 ARG N 1.0 0.0 3.3 29 29 A 37 LEU H A 33 CYS O 1.0 0.0 2.3 30 30 A 33 CYS O A 37 LEU N 1.0 0.0 3.3 31 31 A 38 ARG H A 34 GLU O 1.0 0.0 2.3 32 32 A 34 GLU O A 38 ARG N 1.0 0.0 3.3 33 33 A 39 GLU H A 35 LYS O 1.0 0.0 2.3 34 34 A 35 LYS O A 39 GLU N 1.0 0.0 3.3 35 35 A 40 ARG H A 36 ARG O 1.0 0.0 2.3 36 36 A 36 ARG O A 40 ARG N 1.0 0.0 3.3 37 37 A 41 GLU H A 37 LEU O 1.0 0.0 2.3 38 38 A 37 LEU O A 41 GLU N 1.0 0.0 3.3 39 39 A 42 GLY H A 38 ARG O 1.0 0.0 2.3 40 40 A 38 ARG O A 42 GLY N 1.0 0.0 3.3 41 41 A 43 ARG H A 39 GLU O 1.0 0.0 2.3 42 42 A 39 GLU O A 43 ARG N 1.0 0.0 3.3 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 6 ARG N A 6 ARG CA A 6 ARG C A 7 THR N 1.0 -58.7 -18.7 PSI 2 2 A 6 ARG C A 7 THR N A 7 THR CA A 7 THR C 1.0 -87.3 -47.3 PHI 3 3 A 7 THR N A 7 THR CA A 7 THR C A 8 GLU N 1.0 -61.0 -21.0 PSI 4 4 A 7 THR C A 8 GLU N A 8 GLU CA A 8 GLU C 1.0 -85.0 -45.0 PHI 5 5 A 8 GLU N A 8 GLU CA A 8 GLU C A 9 TYR N 1.0 -61.3 -21.3 PSI 6 6 A 8 GLU C A 9 TYR N A 9 TYR CA A 9 TYR C 1.0 -83.7 -43.7 PHI 7 7 A 9 TYR N A 9 TYR CA A 9 TYR C A 10 GLU N 1.0 -64.6 -24.6 PSI 8 8 A 9 TYR C A 10 GLU N A 10 GLU CA A 10 GLU C 1.0 -83.7 -43.7 PHI 9 9 A 10 GLU N A 10 GLU CA A 10 GLU C A 11 ALA N 1.0 -60.5 -20.5 PSI 10 10 A 10 GLU C A 11 ALA N A 11 ALA CA A 11 ALA C 1.0 -85.4 -45.4 PHI 11 11 A 11 ALA N A 11 ALA CA A 11 ALA C A 12 CYS N 1.0 -58.6 -18.6 PSI 12 12 A 11 ALA C A 12 CYS N A 12 CYS CA A 12 CYS C 1.0 -86.2 -46.2 PHI 13 13 A 12 CYS N A 12 CYS CA A 12 CYS C A 13 ARG N 1.0 -59.6 -19.6 PSI 14 14 A 12 CYS C A 13 ARG N A 13 ARG CA A 13 ARG C 1.0 -82.1 -42.1 PHI 15 15 A 13 ARG N A 13 ARG CA A 13 ARG C A 14 VAL N 1.0 -63.9 -23.9 PSI 16 16 A 13 ARG C A 14 VAL N A 14 VAL CA A 14 VAL C 1.0 -87.2 -47.2 PHI 17 17 A 14 VAL N A 14 VAL CA A 14 VAL C A 15 ARG N 1.0 -63.8 -23.8 PSI 18 18 A 14 VAL C A 15 ARG N A 15 ARG CA A 15 ARG C 1.0 -83.8 -43.8 PHI 19 19 A 15 ARG N A 15 ARG CA A 15 ARG C A 16 CYS N 1.0 -54.5 -14.5 PSI 20 20 A 15 ARG C A 16 CYS N A 16 CYS CA A 16 CYS C 1.0 -89.9 -49.9 PHI 21 21 A 16 CYS N A 16 CYS CA A 16 CYS C A 17 GLN N 1.0 -60.2 2.4 PSI 22 22 A 17 GLN C A 18 VAL N A 18 VAL CA A 18 VAL C 1.0 -100.4 -59.6 PHI 23 23 A 18 VAL C A 19 ALA N A 19 ALA CA A 19 ALA C 1.0 -84.8 -44.8 PHI 24 24 A 19 ALA N A 19 ALA CA A 19 ALA C A 20 GLU N 1.0 -60.0 -20.0 PSI 25 25 A 19 ALA C A 20 GLU N A 20 GLU CA A 20 GLU C 1.0 -93.4 -53.4 PHI 26 26 A 20 GLU N A 20 GLU CA A 20 GLU C A 21 HIS N 1.0 -60.0 -20.0 PSI 27 27 A 22 GLY C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -79.9 -39.9 PHI 28 28 A 20 GLU C A 21 HIS N A 21 HIS CA A 21 HIS C 1.0 40.0 80.0 PHI 29 29 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 GLU N 1.0 -62.9 -22.9 PSI 30 30 A 23 VAL C A 24 GLU N A 24 GLU CA A 24 GLU C 1.0 -83.6 -43.6 PHI 31 31 A 24 GLU N A 24 GLU CA A 24 GLU C A 25 ARG N 1.0 -63.6 -23.6 PSI 32 32 A 24 GLU C A 25 ARG N A 25 ARG CA A 25 ARG C 1.0 -87.3 -47.3 PHI 33 33 A 25 ARG C A 26 GLN N A 26 GLN CA A 26 GLN C 1.0 -85.7 -45.7 PHI 34 34 A 26 GLN N A 26 GLN CA A 26 GLN C A 27 ARG N 1.0 -60.1 -20.1 PSI 35 35 A 26 GLN C A 27 ARG N A 27 ARG CA A 27 ARG C 1.0 -85.7 -45.7 PHI 36 36 A 27 ARG N A 27 ARG CA A 27 ARG C A 28 ARG N 1.0 -58.4 -18.4 PSI 37 37 A 27 ARG C A 28 ARG N A 28 ARG CA A 28 ARG C 1.0 -84.9 -44.9 PHI 38 38 A 28 ARG N A 28 ARG CA A 28 ARG C A 29 CYS N 1.0 -62.9 -22.9 PSI 39 39 A 28 ARG C A 29 CYS N A 29 CYS CA A 29 CYS C 1.0 -84.5 -44.5 PHI 40 40 A 29 CYS N A 29 CYS CA A 29 CYS C A 30 GLN N 1.0 -58.9 -18.9 PSI 41 41 A 29 CYS C A 30 GLN N A 30 GLN CA A 30 GLN C 1.0 -85.8 -45.8 PHI 42 42 A 30 GLN N A 30 GLN CA A 30 GLN C A 31 GLN N 1.0 -56.9 -16.9 PSI 43 43 A 30 GLN C A 31 GLN N A 31 GLN CA A 31 GLN C 1.0 -86.4 -46.4 PHI 44 44 A 31 GLN N A 31 GLN CA A 31 GLN C A 32 VAL N 1.0 -63.2 -23.2 PSI 45 45 A 31 GLN C A 32 VAL N A 32 VAL CA A 32 VAL C 1.0 -82.3 -42.3 PHI 46 46 A 32 VAL N A 32 VAL CA A 32 VAL C A 33 CYS N 1.0 -64.9 -24.9 PSI 47 47 A 32 VAL C A 33 CYS N A 33 CYS CA A 33 CYS C 1.0 -84.8 -44.8 PHI 48 48 A 33 CYS N A 33 CYS CA A 33 CYS C A 34 GLU N 1.0 -57.6 -17.6 PSI 49 49 A 33 CYS C A 34 GLU N A 34 GLU CA A 34 GLU C 1.0 -84.1 -44.1 PHI 50 50 A 34 GLU N A 34 GLU CA A 34 GLU C A 35 LYS N 1.0 -62.0 -22.0 PSI 51 51 A 34 GLU C A 35 LYS N A 35 LYS CA A 35 LYS C 1.0 -86.4 -46.4 PHI 52 52 A 35 LYS N A 35 LYS CA A 35 LYS C A 36 ARG N 1.0 -57.9 -17.9 PSI 53 53 A 35 LYS C A 36 ARG N A 36 ARG CA A 36 ARG C 1.0 -88.9 -48.9 PHI 54 54 A 36 ARG N A 36 ARG CA A 36 ARG C A 37 LEU N 1.0 -57.7 -17.7 PSI 55 55 A 36 ARG C A 37 LEU N A 37 LEU CA A 37 LEU C 1.0 -87.8 -47.8 PHI 56 56 A 37 LEU N A 37 LEU CA A 37 LEU C A 38 ARG N 1.0 -59.2 -19.2 PSI 57 57 A 37 LEU C A 38 ARG N A 38 ARG CA A 38 ARG C 1.0 -86.5 -46.5 PHI 58 58 A 38 ARG N A 38 ARG CA A 38 ARG C A 39 GLU N 1.0 -55.5 -15.5 PSI 59 59 A 38 ARG C A 39 GLU N A 39 GLU CA A 39 GLU C 1.0 -86.5 -46.5 PHI 60 60 A 39 GLU N A 39 GLU CA A 39 GLU C A 40 ARG N 1.0 -59.2 -19.2 PSI 61 61 A 39 GLU C A 40 ARG N A 40 ARG CA A 40 ARG C 1.0 -84.3 -44.3 PHI 62 62 A 40 ARG N A 40 ARG CA A 40 ARG C A 41 GLU N 1.0 -60.8 -20.8 PSI 63 63 A 40 ARG C A 41 GLU N A 41 GLU CA A 41 GLU C 1.0 -85.3 -45.3 PHI 64 64 A 41 GLU N A 41 GLU CA A 41 GLU C A 42 GLY N 1.0 -58.7 -18.7 PSI 65 65 A 41 GLU C A 42 GLY N A 42 GLY CA A 42 GLY C 1.0 -86.8 -46.8 PHI 66 66 A 42 GLY N A 42 GLY CA A 42 GLY C A 43 ARG N 1.0 -53.8 -13.8 PSI 67 67 A 42 GLY C A 43 ARG N A 43 ARG CA A 43 ARG C 1.0 -100.9 -49.1 PHI 68 68 A 43 ARG N A 43 ARG CA A 43 ARG C A 44 ARG N 1.0 -54.2 -3.4 PSI 69 69 A 12 CYS N A 12 CYS CA A 12 CYS CB A 12 CYS SG 1.0 150.0 210.0 CHI1 70 70 A 16 CYS N A 16 CYS CA A 16 CYS CB A 16 CYS SG 1.0 -90.0 -30.0 CHI1 71 71 A 29 CYS N A 29 CYS CA A 29 CYS CB A 29 CYS SG 1.0 -90.0 -30.0 CHI1 72 72 A 33 CYS N A 33 CYS CA A 33 CYS CB A 33 CYS SG 1.0 -90.0 -30.0 CHI1 stop_ save_