data_nef_c17430_2l8x save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 3 CYS SG 1 20 CYS SG 2 3 CYS SG 2 20 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 ARG start . . 2 A 2 TRP middle . . 3 A 3 CYS middle -HG . 4 A 4 VAL middle . . 5 A 5 TYR middle . . 6 A 6 ALA middle . . 7 A 7 TYR middle . . 8 A 8 VAL middle . . 9 A 9 ARG middle . . 10 A 10 ILE middle . . 11 A 11 ARG middle . . 12 A 12 GLY middle . false 13 A 13 VAL middle . . 14 A 14 LEU middle . . 15 A 15 VAL middle . . 16 A 16 ARG middle . . 17 A 17 TYR middle . . 18 A 18 ARG middle . . 19 A 19 ARG middle . . 20 A 20 CYS middle -HG . 21 A 21 TRP end . . 22 B 31 ARG start . . 23 B 32 TRP middle . . 24 B 33 CYS middle -HG . 25 B 34 VAL middle . . 26 B 35 TYR middle . . 27 B 36 ALA middle . . 28 B 37 TYR middle . . 29 B 38 VAL middle . . 30 B 39 ARG middle . . 31 B 40 ILE middle . . 32 B 41 ARG middle . . 33 B 42 GLY middle . false 34 B 43 VAL middle . . 35 B 44 LEU middle . . 36 B 45 VAL middle . . 37 B 46 ARG middle . . 38 B 47 TYR middle . . 39 B 48 ARG middle . . 40 B 49 ARG middle . . 41 B 50 CYS middle -HG . 42 B 51 TRP end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 ARG HA H 1 4.461 0.020 A 1 ARG HB2 H 1 2.028 0.020 A 1 ARG HB3 H 1 2.028 0.020 A 1 ARG HD2 H 1 3.273 0.020 A 1 ARG HD3 H 1 3.273 0.020 A 1 ARG HE H 1 7.458 0.020 A 1 ARG HG2 H 1 1.786 0.020 A 1 ARG HG3 H 1 1.786 0.020 A 1 ARG C C 13 172.121 0.3 A 1 ARG CA C 13 55.630 0.3 A 1 ARG CB C 13 31.485 0.3 A 1 ARG CD C 13 43.596 0.3 A 1 ARG CG C 13 26.494 0.3 A 1 ARG NE N 15 84.655 0.3 A 2 TRP H H 1 9.388 0.020 A 2 TRP HA H 1 5.289 0.020 A 2 TRP HBy H 1 2.984 0.020 A 2 TRP HBx H 1 2.748 0.020 A 2 TRP HD1 H 1 7.297 0.020 A 2 TRP HE1 H 1 10.266 0.020 A 2 TRP HE3 H 1 7.501 0.020 A 2 TRP HH2 H 1 7.138 0.020 A 2 TRP HZ2 H 1 7.542 0.020 A 2 TRP HZ3 H 1 7.085 0.020 A 2 TRP C C 13 175.437 0.3 A 2 TRP CA C 13 56.922 0.3 A 2 TRP CB C 13 31.441 0.3 A 2 TRP CD1 C 13 126.281 0.3 A 2 TRP CE3 C 13 120.594 0.3 A 2 TRP CH2 C 13 124.076 0.3 A 2 TRP CZ2 C 13 114.573 0.3 A 2 TRP CZ3 C 13 122.074 0.3 A 2 TRP N N 15 127.405 0.3 A 2 TRP NE1 N 15 129.464 0.3 A 3 CYS H H 1 8.316 0.020 A 3 CYS HA H 1 5.778 0.020 A 3 CYS HBy H 1 2.433 0.020 A 3 CYS HBx H 1 2.379 0.020 A 3 CYS C C 13 172.685 0.3 A 3 CYS CA C 13 55.809 0.3 A 3 CYS CB C 13 49.000 0.3 A 3 CYS N N 15 119.199 0.3 A 4 VAL H H 1 9.143 0.020 A 4 VAL HA H 1 5.495 0.020 A 4 VAL HB H 1 2.192 0.020 A 4 VAL HG1% H 1 1.190 0.020 A 4 VAL HG2% H 1 1.190 0.020 A 4 VAL C C 13 172.841 0.3 A 4 VAL CA C 13 59.431 0.3 A 4 VAL CB C 13 35.543 0.3 A 4 VAL CG1 C 13 21.191 0.3 A 4 VAL N N 15 118.724 0.3 A 5 TYR H H 1 8.683 0.020 A 5 TYR HA H 1 5.420 0.020 A 5 TYR HBy H 1 3.262 0.020 A 5 TYR HBx H 1 3.161 0.020 A 5 TYR HD1 H 1 7.178 0.020 A 5 TYR HD2 H 1 7.178 0.020 A 5 TYR HE1 H 1 6.738 0.020 A 5 TYR HE2 H 1 6.738 0.020 A 5 TYR C C 13 174.209 0.3 A 5 TYR CA C 13 56.773 0.3 A 5 TYR CB C 13 42.109 0.3 A 5 TYR CD1 C 13 132.707 0.3 A 5 TYR CE1 C 13 117.778 0.3 A 5 TYR N N 15 124.831 0.3 A 6 ALA H H 1 9.504 0.020 A 6 ALA HA H 1 6.156 0.020 A 6 ALA HB% H 1 1.506 0.020 A 6 ALA C C 13 175.258 0.3 A 6 ALA CA C 13 50.147 0.3 A 6 ALA CB C 13 22.593 0.3 A 6 ALA N N 15 126.070 0.3 A 7 TYR H H 1 8.937 0.020 A 7 TYR HA H 1 5.275 0.020 A 7 TYR HBy H 1 3.103 0.020 A 7 TYR HBx H 1 2.867 0.020 A 7 TYR HD1 H 1 7.072 0.020 A 7 TYR HD2 H 1 7.072 0.020 A 7 TYR HE1 H 1 6.809 0.020 A 7 TYR HE2 H 1 6.809 0.020 A 7 TYR C C 13 174.002 0.3 A 7 TYR CA C 13 57.630 0.3 A 7 TYR CB C 13 42.039 0.3 A 7 TYR CD1 C 13 132.514 0.3 A 7 TYR CE1 C 13 117.971 0.3 A 7 TYR N N 15 123.241 0.3 A 8 VAL H H 1 9.001 0.020 A 8 VAL HA H 1 5.304 0.020 A 8 VAL HB H 1 2.103 0.020 A 8 VAL HG1% H 1 1.116 0.020 A 8 VAL HG2% H 1 1.116 0.020 A 8 VAL C C 13 173.969 0.3 A 8 VAL CA C 13 60.223 0.3 A 8 VAL CB C 13 35.587 0.3 A 8 VAL CG1 C 13 21.335 0.3 A 8 VAL N N 15 125.612 0.3 A 9 ARG H H 1 9.110 0.020 A 9 ARG HA H 1 5.640 0.020 A 9 ARG HBx H 1 1.695 0.020 A 9 ARG HBy H 1 2.079 0.020 A 9 ARG HDy H 1 3.342 0.020 A 9 ARG HDx H 1 3.140 0.020 A 9 ARG HE H 1 7.851 0.020 A 9 ARG HG2 H 1 1.563 0.020 A 9 ARG HG3 H 1 1.563 0.020 A 9 ARG C C 13 174.466 0.3 A 9 ARG CA C 13 54.917 0.3 A 9 ARG CB C 13 33.838 0.3 A 9 ARG CD C 13 43.937 0.3 A 9 ARG CG C 13 28.310 0.3 A 9 ARG N N 15 127.742 0.3 A 9 ARG NE N 15 84.502 0.3 A 10 ILE H H 1 8.545 0.020 A 10 ILE HB H 1 1.930 0.020 A 10 ILE HD1% H 1 0.945 0.020 A 10 ILE HG1y H 1 1.667 0.020 A 10 ILE HG1x H 1 1.238 0.020 A 10 ILE HG2% H 1 1.055 0.020 A 10 ILE C C 13 174.343 0.3 A 10 ILE CA C 13 59.961 0.3 A 10 ILE CB C 13 41.630 0.3 A 10 ILE CD1 C 13 14.222 0.3 A 10 ILE CG1 C 13 27.622 0.3 A 10 ILE CG2 C 13 17.972 0.3 A 10 ILE N N 15 124.114 0.3 A 11 ARG H H 1 9.293 0.020 A 11 ARG HA H 1 3.952 0.020 A 11 ARG HBy H 1 2.249 0.020 A 11 ARG HBx H 1 1.998 0.020 A 11 ARG HD2 H 1 3.315 0.020 A 11 ARG HD3 H 1 3.315 0.020 A 11 ARG HE H 1 7.714 0.020 A 11 ARG HG2 H 1 1.810 0.020 A 11 ARG HG3 H 1 1.810 0.020 A 11 ARG C C 13 175.827 0.3 A 11 ARG CA C 13 57.463 0.3 A 11 ARG CB C 13 28.492 0.3 A 11 ARG CD C 13 43.537 0.3 A 11 ARG CG C 13 28.248 0.3 A 11 ARG N N 15 123.309 0.3 A 11 ARG NE N 15 84.688 0.3 A 12 GLY H H 1 8.572 0.020 A 12 GLY HAy H 1 4.134 0.020 A 12 GLY HAx H 1 3.822 0.020 A 12 GLY C C 13 174.013 0.3 A 12 GLY CA C 13 45.763 0.3 A 12 GLY N N 15 106.195 0.3 A 13 VAL H H 1 8.357 0.020 A 13 VAL HA H 1 4.263 0.020 A 13 VAL HB H 1 2.347 0.020 A 13 VAL HG1% H 1 1.038 0.020 A 13 VAL HG2% H 1 0.965 0.020 A 13 VAL C C 13 173.517 0.3 A 13 VAL CA C 13 62.214 0.3 A 13 VAL CB C 13 33.183 0.3 A 13 VAL CG1 C 13 21.523 0.3 A 13 VAL CG2 C 13 21.463 0.3 A 13 VAL N N 15 122.841 0.3 A 14 LEU H H 1 8.370 0.020 A 14 LEU HA H 1 5.275 0.020 A 14 LEU HBy H 1 1.948 0.020 A 14 LEU HBx H 1 1.376 0.020 A 14 LEU HD1% H 1 1.008 0.020 A 14 LEU HD2% H 1 0.807 0.020 A 14 LEU HG H 1 1.425 0.020 A 14 LEU C C 13 175.688 0.3 A 14 LEU CA C 13 53.835 0.3 A 14 LEU CB C 13 44.485 0.3 A 14 LEU CD1 C 13 26.026 0.3 A 14 LEU CD2 C 13 23.699 0.3 A 14 LEU CG C 13 27.875 0.3 A 14 LEU N N 15 128.569 0.3 A 15 VAL H H 1 9.521 0.020 A 15 VAL HA H 1 4.389 0.020 A 15 VAL HB H 1 2.055 0.020 A 15 VAL HG1% H 1 0.964 0.020 A 15 VAL HG2% H 1 0.964 0.020 A 15 VAL C C 13 173.377 0.3 A 15 VAL CA C 13 61.664 0.3 A 15 VAL CB C 13 34.579 0.3 A 15 VAL CG1 C 13 21.146 0.3 A 15 VAL N N 15 127.701 0.3 A 16 ARG H H 1 8.398 0.020 A 16 ARG HA H 1 5.346 0.020 A 16 ARG HB2 H 1 1.893 0.020 A 16 ARG HB3 H 1 1.893 0.020 A 16 ARG HD2 H 1 3.396 0.020 A 16 ARG HD3 H 1 3.396 0.020 A 16 ARG HE H 1 7.590 0.020 A 16 ARG HG2 H 1 1.716 0.020 A 16 ARG HG3 H 1 1.716 0.020 A 16 ARG C C 13 174.929 0.3 A 16 ARG CA C 13 54.181 0.3 A 16 ARG CB C 13 32.788 0.3 A 16 ARG CD C 13 44.355 0.3 A 16 ARG CG C 13 26.732 0.3 A 16 ARG N N 15 125.034 0.3 A 16 ARG NE N 15 84.502 0.3 A 17 TYR H H 1 9.024 0.020 A 17 TYR HA H 1 4.845 0.020 A 17 TYR HBy H 1 2.884 0.020 A 17 TYR HBx H 1 2.699 0.020 A 17 TYR HD1 H 1 6.990 0.020 A 17 TYR HD2 H 1 6.990 0.020 A 17 TYR HE1 H 1 6.778 0.020 A 17 TYR HE2 H 1 6.778 0.020 A 17 TYR C C 13 172.657 0.3 A 17 TYR CA C 13 58.115 0.3 A 17 TYR CB C 13 43.225 0.3 A 17 TYR CD1 C 13 132.152 0.3 A 17 TYR CE1 C 13 118.140 0.3 A 17 TYR N N 15 124.435 0.3 A 18 ARG H H 1 7.611 0.020 A 18 ARG HA H 1 5.301 0.020 A 18 ARG HBy H 1 1.641 0.020 A 18 ARG HBx H 1 1.586 0.020 A 18 ARG HD2 H 1 3.134 0.020 A 18 ARG HD3 H 1 3.134 0.020 A 18 ARG HE H 1 7.513 0.020 A 18 ARG HGy H 1 1.467 0.020 A 18 ARG HGx H 1 1.424 0.020 A 18 ARG C C 13 174.226 0.3 A 18 ARG CA C 13 53.998 0.3 A 18 ARG CB C 13 33.180 0.3 A 18 ARG CD C 13 44.058 0.3 A 18 ARG CG C 13 26.421 0.3 A 18 ARG N N 15 125.570 0.3 A 18 ARG NE N 15 85.045 0.3 A 19 ARG H H 1 8.391 0.020 A 19 ARG HA H 1 4.280 0.020 A 19 ARG HBy H 1 1.646 0.020 A 19 ARG HBx H 1 1.459 0.020 A 19 ARG HDy H 1 3.149 0.020 A 19 ARG HDx H 1 3.075 0.020 A 19 ARG HE H 1 7.204 0.020 A 19 ARG HGy H 1 1.372 0.020 A 19 ARG HGx H 1 1.235 0.020 A 19 ARG C C 13 173.969 0.3 A 19 ARG CA C 13 55.906 0.3 A 19 ARG CB C 13 34.572 0.3 A 19 ARG CD C 13 43.113 0.3 A 19 ARG CG C 13 27.499 0.3 A 19 ARG N N 15 123.948 0.3 A 19 ARG NE N 15 85.606 0.3 A 20 CYS H H 1 8.407 0.020 A 20 CYS HA H 1 5.911 0.020 A 20 CYS HBy H 1 3.055 0.020 A 20 CYS HBx H 1 2.915 0.020 A 20 CYS C C 13 173.221 0.3 A 20 CYS CA C 13 55.959 0.3 A 20 CYS CB C 13 48.313 0.3 A 20 CYS N N 15 121.154 0.3 A 21 TRP H H 1 9.540 0.020 A 21 TRP HA H 1 4.633 0.020 A 21 TRP HBy H 1 3.450 0.020 A 21 TRP HBx H 1 3.271 0.020 A 21 TRP HD1 H 1 7.343 0.020 A 21 TRP HE1 H 1 9.950 0.020 A 21 TRP HE3 H 1 7.613 0.020 A 21 TRP HH2 H 1 7.012 0.020 A 21 TRP HZ2 H 1 7.184 0.020 A 21 TRP HZ3 H 1 6.974 0.020 A 21 TRP CA C 13 60.715 0.3 A 21 TRP CB C 13 32.157 0.3 A 21 TRP CD1 C 13 126.703 0.3 A 21 TRP CE3 C 13 120.210 0.3 A 21 TRP CH2 C 13 123.409 0.3 A 21 TRP CZ2 C 13 114.094 0.3 A 21 TRP CZ3 C 13 121.531 0.3 A 21 TRP N N 15 129.492 0.3 A 21 TRP NE1 N 15 128.258 0.3 B 31 ARG HA H 1 4.308 0.020 B 31 ARG HBy H 1 1.544 0.020 B 31 ARG HBx H 1 1.217 0.020 B 31 ARG HD2 H 1 3.019 0.020 B 31 ARG HD3 H 1 3.019 0.020 B 31 ARG HE H 1 7.648 0.020 B 31 ARG HG2 H 1 1.482 0.020 B 31 ARG HG3 H 1 1.482 0.020 B 31 ARG C C 13 171.893 0.3 B 31 ARG CA C 13 55.305 0.3 B 31 ARG CB C 13 31.167 0.3 B 31 ARG CD C 13 43.280 0.3 B 31 ARG CG C 13 26.449 0.3 B 31 ARG NE N 15 84.553 0.3 B 32 TRP H H 1 9.287 0.020 B 32 TRP HA H 1 5.762 0.020 B 32 TRP HBy H 1 3.215 0.020 B 32 TRP HBx H 1 3.051 0.020 B 32 TRP HD1 H 1 7.236 0.020 B 32 TRP HE1 H 1 10.034 0.020 B 32 TRP HE3 H 1 7.478 0.020 B 32 TRP HH2 H 1 6.935 0.020 B 32 TRP HZ2 H 1 7.232 0.020 B 32 TRP HZ3 H 1 6.947 0.020 B 32 TRP C C 13 175.448 0.3 B 32 TRP CA C 13 56.090 0.3 B 32 TRP CB C 13 32.076 0.3 B 32 TRP CD1 C 13 126.090 0.3 B 32 TRP CE3 C 13 120.304 0.3 B 32 TRP CH2 C 13 123.855 0.3 B 32 TRP CZ2 C 13 114.587 0.3 B 32 TRP CZ3 C 13 121.784 0.3 B 32 TRP N N 15 124.747 0.3 B 32 TRP NE1 N 15 129.475 0.3 B 33 CYS H H 1 9.040 0.020 B 33 CYS HA H 1 6.084 0.020 B 33 CYS HBy H 1 3.190 0.020 B 33 CYS HBx H 1 3.118 0.020 B 33 CYS C C 13 172.830 0.3 B 33 CYS CA C 13 56.089 0.3 B 33 CYS CB C 13 50.000 0.3 B 33 CYS N N 15 118.225 0.3 B 34 VAL H H 1 9.426 0.020 B 34 VAL HA H 1 5.898 0.020 B 34 VAL HB H 1 2.390 0.020 B 34 VAL HG1% H 1 1.357 0.020 B 34 VAL HG2% H 1 1.357 0.020 B 34 VAL C C 13 173.450 0.3 B 34 VAL CA C 13 59.252 0.3 B 34 VAL CB C 13 35.682 0.3 B 34 VAL CG1 C 13 21.437 0.3 B 34 VAL N N 15 119.495 0.3 B 35 TYR H H 1 8.893 0.020 B 35 TYR HA H 1 5.388 0.020 B 35 TYR HBy H 1 3.057 0.020 B 35 TYR HBx H 1 2.915 0.020 B 35 TYR HD1 H 1 7.012 0.020 B 35 TYR HD2 H 1 7.012 0.020 B 35 TYR HE1 H 1 6.833 0.020 B 35 TYR HE2 H 1 6.833 0.020 B 35 TYR C C 13 173.645 0.3 B 35 TYR CA C 13 57.437 0.3 B 35 TYR CB C 13 42.834 0.3 B 35 TYR CD1 C 13 132.200 0.3 B 35 TYR CE1 C 13 117.923 0.3 B 35 TYR N N 15 124.540 0.3 B 36 ALA H H 1 9.291 0.020 B 36 ALA HA H 1 5.952 0.020 B 36 ALA HB% H 1 1.470 0.020 B 36 ALA C C 13 175.398 0.3 B 36 ALA CA C 13 50.086 0.3 B 36 ALA CB C 13 22.279 0.3 B 36 ALA N N 15 128.136 0.3 B 37 TYR H H 1 8.767 0.020 B 37 TYR HA H 1 5.056 0.020 B 37 TYR HBy H 1 3.423 0.020 B 37 TYR HBx H 1 2.950 0.020 B 37 TYR HD1 H 1 7.190 0.020 B 37 TYR HD2 H 1 7.190 0.020 B 37 TYR HE1 H 1 6.810 0.020 B 37 TYR HE2 H 1 6.810 0.020 B 37 TYR C C 13 173.896 0.3 B 37 TYR CA C 13 58.438 0.3 B 37 TYR CB C 13 40.902 0.3 B 37 TYR CD1 C 13 132.941 0.3 B 37 TYR CE1 C 13 118.164 0.3 B 37 TYR N N 15 124.827 0.3 B 38 VAL H H 1 8.995 0.020 B 38 VAL HA H 1 4.835 0.020 B 38 VAL HB H 1 2.213 0.020 B 38 VAL HG1% H 1 1.089 0.020 B 38 VAL HG2% H 1 1.024 0.020 B 38 VAL C C 13 173.009 0.3 B 38 VAL CA C 13 60.885 0.3 B 38 VAL CB C 13 35.393 0.3 B 38 VAL CG1 C 13 21.076 0.3 B 38 VAL CG2 C 13 21.005 0.3 B 38 VAL N N 15 124.922 0.3 B 39 ARG H H 1 8.659 0.020 B 39 ARG HA H 1 5.420 0.020 B 39 ARG HBy H 1 1.937 0.020 B 39 ARG HBx H 1 1.805 0.020 B 39 ARG HD2 H 1 3.296 0.020 B 39 ARG HD3 H 1 3.296 0.020 B 39 ARG HE H 1 7.649 0.020 B 39 ARG HG2 H 1 1.554 0.020 B 39 ARG HG3 H 1 1.554 0.020 B 39 ARG C C 13 175.844 0.3 B 39 ARG CA C 13 54.733 0.3 B 39 ARG CB C 13 31.830 0.3 B 39 ARG CD C 13 43.354 0.3 B 39 ARG CG C 13 28.257 0.3 B 39 ARG N N 15 127.228 0.3 B 39 ARG NE N 15 84.383 0.3 B 40 ILE H H 1 8.851 0.020 B 40 ILE HA H 1 4.346 0.020 B 40 ILE HB H 1 1.780 0.020 B 40 ILE HD1% H 1 0.904 0.020 B 40 ILE HG1y H 1 1.582 0.020 B 40 ILE HG1x H 1 1.103 0.020 B 40 ILE HG2% H 1 0.966 0.020 B 40 ILE C C 13 173.885 0.3 B 40 ILE CA C 13 60.023 0.3 B 40 ILE CB C 13 40.916 0.3 B 40 ILE CD1 C 13 14.133 0.3 B 40 ILE CG1 C 13 27.542 0.3 B 40 ILE CG2 C 13 17.528 0.3 B 40 ILE N N 15 125.883 0.3 B 41 ARG H H 1 9.423 0.020 B 41 ARG HA H 1 3.863 0.020 B 41 ARG HBy H 1 2.248 0.020 B 41 ARG HBx H 1 1.961 0.020 B 41 ARG HD2 H 1 3.289 0.020 B 41 ARG HD3 H 1 3.289 0.020 B 41 ARG HE H 1 7.739 0.020 B 41 ARG HG2 H 1 1.790 0.020 B 41 ARG HG3 H 1 1.790 0.020 B 41 ARG HH11 H 1 7.030 0.020 B 41 ARG HH22 H 1 7.030 0.020 B 41 ARG C C 13 175.822 0.3 B 41 ARG CA C 13 57.151 0.3 B 41 ARG CB C 13 28.294 0.3 B 41 ARG CD C 13 43.537 0.3 B 41 ARG CG C 13 28.248 0.3 B 41 ARG N N 15 124.867 0.3 B 41 ARG NE N 15 84.638 0.3 B 42 GLY H H 1 8.521 0.020 B 42 GLY HAx H 1 3.858 0.020 B 42 GLY HAy H 1 4.136 0.020 B 42 GLY C C 13 174.253 0.3 B 42 GLY CA C 13 45.896 0.3 B 42 GLY N N 15 105.753 0.3 B 43 VAL H H 1 8.401 0.020 B 43 VAL HA H 1 4.261 0.020 B 43 VAL HB H 1 2.351 0.020 B 43 VAL HG1% H 1 1.040 0.020 B 43 VAL HG2% H 1 0.966 0.020 B 43 VAL C C 13 173.941 0.3 B 43 VAL CA C 13 61.850 0.3 B 43 VAL CB C 13 33.339 0.3 B 43 VAL CG1 C 13 21.338 0.3 B 43 VAL CG2 C 13 21.269 0.3 B 43 VAL N N 15 122.972 0.3 B 44 LEU H H 1 8.432 0.020 B 44 LEU HA H 1 4.872 0.020 B 44 LEU HBy H 1 1.841 0.020 B 44 LEU HBx H 1 1.229 0.020 B 44 LEU HD1% H 1 0.845 0.020 B 44 LEU HD2% H 1 0.316 0.020 B 44 LEU HG H 1 1.163 0.020 B 44 LEU CA C 13 54.065 0.3 B 44 LEU CB C 13 43.611 0.3 B 44 LEU CD1 C 13 25.673 0.3 B 44 LEU CD2 C 13 22.398 0.3 B 44 LEU CG C 13 27.422 0.3 B 44 LEU N N 15 128.035 0.3 B 45 VAL H H 1 9.185 0.020 B 45 VAL HA H 1 4.211 0.020 B 45 VAL HB H 1 2.115 0.020 B 45 VAL HG1% H 1 0.927 0.020 B 45 VAL HG2% H 1 0.875 0.020 B 45 VAL C C 13 173.204 0.3 B 45 VAL CA C 13 62.024 0.3 B 45 VAL CB C 13 33.131 0.3 B 45 VAL CG1 C 13 20.822 0.3 B 45 VAL CG2 C 13 21.080 0.3 B 45 VAL N N 15 128.507 0.3 B 46 ARG H H 1 8.179 0.020 B 46 ARG HA H 1 5.371 0.020 B 46 ARG HBy H 1 1.895 0.020 B 46 ARG HBx H 1 1.776 0.020 B 46 ARG HD2 H 1 3.340 0.020 B 46 ARG HD3 H 1 3.340 0.020 B 46 ARG HE H 1 7.590 0.020 B 46 ARG HG2 H 1 1.680 0.020 B 46 ARG HG3 H 1 1.680 0.020 B 46 ARG C C 13 174.951 0.3 B 46 ARG CA C 13 53.884 0.3 B 46 ARG CB C 13 33.118 0.3 B 46 ARG CD C 13 44.321 0.3 B 46 ARG CG C 13 26.766 0.3 B 46 ARG N N 15 125.621 0.3 B 46 ARG NE N 15 84.655 0.3 B 47 TYR H H 1 8.963 0.020 B 47 TYR HA H 1 4.751 0.020 B 47 TYR HBy H 1 2.980 0.020 B 47 TYR HBx H 1 2.590 0.020 B 47 TYR HD1 H 1 7.022 0.020 B 47 TYR HD2 H 1 7.022 0.020 B 47 TYR HE1 H 1 6.829 0.020 B 47 TYR HE2 H 1 6.829 0.020 B 47 TYR C C 13 172.523 0.3 B 47 TYR CA C 13 58.567 0.3 B 47 TYR CB C 13 43.392 0.3 B 47 TYR CD1 C 13 132.152 0.3 B 47 TYR CE1 C 13 117.923 0.3 B 47 TYR N N 15 124.400 0.3 B 48 ARG H H 1 7.562 0.020 B 48 ARG HA H 1 5.373 0.020 B 48 ARG HB2 H 1 1.885 0.020 B 48 ARG HB3 H 1 1.885 0.020 B 48 ARG HDy H 1 3.305 0.020 B 48 ARG HDx H 1 3.135 0.020 B 48 ARG HE H 1 7.757 0.020 B 48 ARG HG2 H 1 1.693 0.020 B 48 ARG HG3 H 1 1.693 0.020 B 48 ARG C C 13 173.902 0.3 B 48 ARG CA C 13 54.301 0.3 B 48 ARG CB C 13 32.944 0.3 B 48 ARG CD C 13 43.958 0.3 B 48 ARG CG C 13 26.643 0.3 B 48 ARG N N 15 124.961 0.3 B 48 ARG NE N 15 85.006 0.3 B 49 ARG H H 1 8.497 0.020 B 49 ARG HA H 1 4.343 0.020 B 49 ARG HBy H 1 1.678 0.020 B 49 ARG HBx H 1 1.437 0.020 B 49 ARG HDy H 1 3.111 0.020 B 49 ARG HDx H 1 3.048 0.020 B 49 ARG HE H 1 7.085 0.020 B 49 ARG HGy H 1 1.330 0.020 B 49 ARG HGx H 1 1.119 0.020 B 49 ARG C C 13 174.203 0.3 B 49 ARG CA C 13 56.388 0.3 B 49 ARG CB C 13 34.669 0.3 B 49 ARG CD C 13 43.280 0.3 B 49 ARG CG C 13 27.235 0.3 B 49 ARG N N 15 123.800 0.3 B 49 ARG NE N 15 85.776 0.3 B 50 CYS H H 1 8.577 0.020 B 50 CYS HA H 1 5.982 0.020 B 50 CYS HBy H 1 3.163 0.020 B 50 CYS HBx H 1 2.978 0.020 B 50 CYS C C 13 172.981 0.3 B 50 CYS CA C 13 56.165 0.3 B 50 CYS CB C 13 48.203 0.3 B 50 CYS N N 15 120.850 0.3 B 51 TRP H H 1 9.614 0.020 B 51 TRP HA H 1 4.562 0.020 B 51 TRP HBy H 1 3.308 0.020 B 51 TRP HBx H 1 2.979 0.020 B 51 TRP HD1 H 1 7.282 0.020 B 51 TRP HE1 H 1 9.979 0.020 B 51 TRP HE3 H 1 7.449 0.020 B 51 TRP HH2 H 1 7.085 0.020 B 51 TRP HZ2 H 1 7.317 0.020 B 51 TRP HZ3 H 1 6.958 0.020 B 51 TRP CA C 13 60.820 0.3 B 51 TRP CB C 13 32.247 0.3 B 51 TRP CD1 C 13 126.438 0.3 B 51 TRP CE3 C 13 120.334 0.3 B 51 TRP CH2 C 13 123.554 0.3 B 51 TRP CZ2 C 13 113.949 0.3 B 51 TRP CZ3 C 13 121.494 0.3 B 51 TRP N N 15 129.762 0.3 B 51 TRP NE1 N 15 127.932 0.3 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 B 47 TYR HD% B 48 ARG H 1.0 . 3.62 2 2 A 18 ARG HE A 18 ARG HGx 1.0 . 4.08 3 3 A 18 ARG HE A 18 ARG HGy 1.0 . 4.13 4 4 A 18 ARG HE A 18 ARG HBx 1.0 . 4.61 5 5 A 18 ARG HE A 18 ARG HBy 1.0 . 4.27 6 6 B 39 ARG HBx B 39 ARG HE 1.0 . 4.30 7 7 B 39 ARG HE B 39 ARG HBy 1.0 . 4.03 8 8 B 31 ARG HBy B 31 ARG HE 1.0 . 3.86 9 9 B 31 ARG HE B 31 ARG HG2 1.0 . 4.00 10 9 B 31 ARG HE B 31 ARG HG3 1.0 . 4.00 11 10 A 11 ARG HBx A 11 ARG HE 1.0 . 4.70 12 11 A 11 ARG HE A 11 ARG HBy 1.0 . 4.58 13 12 B 41 ARG HBy B 41 ARG HE 1.0 . 4.43 14 13 B 41 ARG HE B 41 ARG HBx 1.0 . 4.46 15 14 B 41 ARG HE B 41 ARG HG2 1.0 . 3.71 16 14 B 41 ARG HE B 41 ARG HG3 1.0 . 3.71 17 15 B 48 ARG HE B 48 ARG HG2 1.0 . 3.51 18 15 B 48 ARG HG3 B 48 ARG HE 1.0 . 3.51 19 16 B 48 ARG HE B 48 ARG HB2 1.0 . 4.25 20 16 B 48 ARG HE B 48 ARG HB3 1.0 . 4.25 21 17 A 9 ARG HE A 9 ARG HG2 1.0 . 4.06 22 17 A 9 ARG HG3 A 9 ARG HE 1.0 . 4.06 23 18 A 9 ARG HE A 9 ARG HBx 1.0 . 4.15 24 19 B 49 ARG HGx B 49 ARG HE 1.0 . 3.68 25 20 B 49 ARG HE B 49 ARG HGy 1.0 . 3.92 26 21 B 49 ARG HE B 49 ARG HBx 1.0 . 4.94 27 22 B 49 ARG HE B 49 ARG HBy 1.0 . 4.31 28 23 A 19 ARG HGx A 19 ARG HE 1.0 . 3.85 29 24 A 19 ARG HE A 19 ARG HGy 1.0 . 3.97 30 25 B 48 ARG H B 47 TYR HA 1.0 . 2.80 31 26 B 48 ARG H B 47 TYR HBx 1.0 . 4.18 32 27 B 48 ARG H B 47 TYR HBy 1.0 . 4.20 33 28 B 48 ARG H B 48 ARG HG2 1.0 . 3.79 34 28 B 48 ARG H B 48 ARG HG3 1.0 . 3.79 35 29 B 48 ARG H B 48 ARG HB2 1.0 . 3.56 36 29 B 48 ARG H B 48 ARG HB3 1.0 . 3.56 37 30 B 48 ARG H B 48 ARG HDy 1.0 . 4.14 38 31 A 6 ALA HB% A 18 ARG H 1.0 . 4.31 39 32 A 18 ARG H A 17 TYR HA 1.0 . 2.74 40 33 A 18 ARG H A 17 TYR HBx 1.0 . 4.46 41 34 A 18 ARG H A 17 TYR HBy 1.0 . 4.27 42 35 A 18 ARG H A 17 TYR H 1.0 . 4.68 43 36 A 18 ARG H A 17 TYR HE% 1.0 . 4.58 44 37 A 18 ARG H A 18 ARG HGx 1.0 . 3.99 45 38 A 18 ARG H A 18 ARG HGy 1.0 . 4.67 46 39 A 18 ARG H A 18 ARG HBx 1.0 . 3.85 47 40 A 18 ARG H A 17 TYR HD% 1.0 . 3.52 48 41 A 18 ARG H A 18 ARG HBy 1.0 . 3.61 49 42 A 18 ARG H A 18 ARG HD2 1.0 . 4.33 50 42 A 18 ARG H A 18 ARG HD3 1.0 . 4.33 51 43 B 33 CYS H A 4 VAL HG1% 1.0 . 4.32 52 43 A 4 VAL HG2% B 33 CYS H 1.0 . 4.32 53 44 B 33 CYS H B 32 TRP HBx 1.0 . 4.19 54 45 B 33 CYS H B 32 TRP HBy 1.0 . 5.20 55 46 B 33 CYS H B 32 TRP HA 1.0 . 3.15 56 47 B 33 CYS H A 4 VAL HA 1.0 . 3.61 57 48 B 33 CYS H A 3 CYS H 1.0 . 4.54 58 49 B 33 CYS H B 32 TRP H 1.0 . 4.39 59 50 B 33 CYS H B 32 TRP HE3 1.0 . 4.32 60 51 B 33 CYS H B 33 CYS HBy 1.0 . 3.81 61 52 B 33 CYS H B 33 CYS HBx 1.0 . 3.99 62 53 A 4 VAL H A 4 VAL HG1% 1.0 . 3.44 63 53 A 4 VAL HG2% A 4 VAL H 1.0 . 3.44 64 54 A 4 VAL H A 4 VAL HB 1.0 . 4.10 65 55 A 4 VAL H B 32 TRP HZ3 1.0 . 4.72 66 56 A 4 VAL H A 20 CYS HA 1.0 . 4.05 67 57 A 4 VAL H A 18 ARG HA 1.0 . 5.67 68 58 A 4 VAL H A 3 CYS HA 1.0 . 3.21 69 59 A 4 VAL H A 3 CYS HBy 1.0 . 3.96 70 60 A 4 VAL H A 3 CYS HBx 1.0 . 4.35 71 61 B 42 GLY H B 43 VAL HG1% 1.0 . 4.74 72 62 B 41 ARG HBy B 42 GLY H 1.0 . 3.62 73 63 B 41 ARG HBx B 42 GLY H 1.0 . 3.83 74 64 B 42 GLY H B 41 ARG HG2 1.0 . 4.62 75 64 B 41 ARG HG3 B 42 GLY H 1.0 . 4.62 76 65 B 42 GLY H B 41 ARG HD2 1.0 . 4.88 77 65 B 42 GLY H B 41 ARG HD3 1.0 . 4.88 78 66 A 3 CYS H A 4 VAL HG1% 1.0 . 4.57 79 66 A 4 VAL HG2% A 3 CYS H 1.0 . 4.57 80 67 A 3 CYS H A 2 TRP HBx 1.0 . 4.61 81 68 A 3 CYS H A 2 TRP HBy 1.0 . 4.04 82 69 B 32 TRP HA A 3 CYS H 1.0 . 3.41 83 70 A 3 CYS H A 2 TRP HA 1.0 . 2.98 84 71 A 3 CYS H A 2 TRP HE3 1.0 . 4.44 85 72 A 3 CYS H A 3 CYS HBy 1.0 . 4.14 86 73 A 3 CYS H A 3 CYS HBx 1.0 . 3.87 87 74 A 3 CYS H B 32 TRP HZ2 1.0 . 4.53 88 75 A 11 ARG HA A 12 GLY H 1.0 . 3.60 89 76 A 12 GLY H A 11 ARG HG2 1.0 . 4.93 90 76 A 12 GLY H A 11 ARG HG3 1.0 . 4.93 91 77 A 11 ARG HBx A 12 GLY H 1.0 . 3.86 92 78 A 11 ARG HBy A 12 GLY H 1.0 . 3.60 93 79 B 34 VAL H B 34 VAL HB 1.0 . 3.97 94 80 B 34 VAL H B 34 VAL HG1% 1.0 . 3.50 95 80 B 34 VAL H B 34 VAL HG2% 1.0 . 3.50 96 81 B 34 VAL H B 33 CYS HA 1.0 . 3.21 97 82 B 34 VAL H B 50 CYS HA 1.0 . 3.90 98 83 B 33 CYS HBy B 34 VAL H 1.0 . 4.11 99 84 B 33 CYS HBx B 34 VAL H 1.0 . 3.79 100 85 B 33 CYS HA B 50 CYS H 1.0 . 4.37 101 86 B 50 CYS H B 50 CYS HBx 1.0 . 4.10 102 87 B 50 CYS H B 49 ARG HA 1.0 . 2.92 103 88 B 50 CYS H B 50 CYS HBy 1.0 . 3.68 104 89 B 49 ARG HGx B 50 CYS H 1.0 . 3.81 105 90 B 49 ARG HGy B 50 CYS H 1.0 . 3.60 106 91 B 49 ARG HBx B 50 CYS H 1.0 . 4.42 107 92 B 49 ARG HBy B 50 CYS H 1.0 . 4.11 108 93 B 50 CYS H B 49 ARG HDx 1.0 . 4.47 109 94 B 50 CYS H B 49 ARG HDy 1.0 . 3.93 110 95 A 20 CYS H A 20 CYS HBx 1.0 . 4.01 111 96 A 20 CYS H A 19 ARG HA 1.0 . 2.85 112 97 A 20 CYS H A 20 CYS HBy 1.0 . 3.59 113 98 A 20 CYS H A 19 ARG HDx 1.0 . 6.00 114 99 A 20 CYS H A 19 ARG HDy 1.0 . 4.13 115 100 A 19 ARG HGx A 20 CYS H 1.0 . 3.90 116 101 A 19 ARG HGy A 20 CYS H 1.0 . 3.64 117 102 A 20 CYS H A 19 ARG HBx 1.0 . 4.32 118 103 A 20 CYS H A 19 ARG HBy 1.0 . 4.35 119 104 A 11 ARG HA A 13 VAL H 1.0 . 5.05 120 105 A 13 VAL H A 13 VAL HG2% 1.0 . 3.95 121 106 A 13 VAL H A 13 VAL HG1% 1.0 . 3.34 122 107 A 13 VAL H A 13 VAL HB 1.0 . 3.18 123 108 A 12 GLY H A 13 VAL H 1.0 . 3.67 124 109 A 13 VAL H A 10 ILE H 1.0 . 3.82 125 110 A 13 VAL H A 9 ARG HG2 1.0 . 4.67 126 110 A 9 ARG HG3 A 13 VAL H 1.0 . 4.67 127 111 A 11 ARG HBx A 13 VAL H 1.0 . 4.77 128 112 A 11 ARG HBy A 13 VAL H 1.0 . 4.77 129 113 B 39 ARG HA B 43 VAL H 1.0 . 4.48 130 114 B 43 VAL H B 43 VAL HB 1.0 . 3.09 131 115 B 43 VAL H B 43 VAL HG2% 1.0 . 3.78 132 116 B 43 VAL HG1% B 43 VAL H 1.0 . 3.19 133 117 B 42 GLY H B 43 VAL H 1.0 . 3.45 134 118 B 43 VAL H B 40 ILE H 1.0 . 3.74 135 119 B 43 VAL H B 40 ILE HB 1.0 . 5.16 136 120 B 41 ARG HBy B 43 VAL H 1.0 . 4.72 137 121 B 41 ARG HBx B 43 VAL H 1.0 . 4.56 138 122 B 43 VAL H B 41 ARG HG2 1.0 . 5.16 139 122 B 41 ARG HG3 B 43 VAL H 1.0 . 5.16 140 123 A 19 ARG H A 4 VAL HG1% 1.0 . 3.65 141 123 A 4 VAL HG2% A 19 ARG H 1.0 . 3.65 142 124 A 19 ARG H A 5 TYR HA 1.0 . 4.18 143 125 A 18 ARG HA A 19 ARG H 1.0 . 2.91 144 126 A 4 VAL H A 19 ARG H 1.0 . 3.81 145 127 A 19 ARG HBx A 19 ARG H 1.0 . 3.66 146 128 A 19 ARG HBy A 19 ARG H 1.0 . 3.68 147 129 B 49 ARG H B 34 VAL HG1% 1.0 . 3.56 148 129 B 34 VAL HG2% B 49 ARG H 1.0 . 3.56 149 130 B 49 ARG H B 48 ARG HA 1.0 . 2.90 150 131 B 34 VAL H B 49 ARG H 1.0 . 3.74 151 132 B 49 ARG HBx B 49 ARG H 1.0 . 3.90 152 133 B 49 ARG HBy B 49 ARG H 1.0 . 3.66 153 134 B 49 ARG H B 35 TYR HD% 1.0 . 4.42 154 135 B 49 ARG H B 48 ARG HB2 1.0 . 3.83 155 135 B 48 ARG HB3 B 49 ARG H 1.0 . 3.83 156 136 A 10 ILE H A 14 LEU HA 1.0 . 4.10 157 137 A 13 VAL HB A 10 ILE H 1.0 . 4.43 158 138 A 10 ILE H A 9 ARG HA 1.0 . 2.98 159 139 A 10 ILE H A 9 ARG HG2 1.0 . 4.10 160 139 A 9 ARG HG3 A 10 ILE H 1.0 . 4.10 161 140 A 10 ILE H A 8 VAL HG1% 1.0 . 4.78 162 140 A 10 ILE H A 8 VAL HG2% 1.0 . 4.78 163 141 A 10 ILE H A 10 ILE HG1y 1.0 . 4.29 164 142 A 10 ILE H A 10 ILE HG1x 1.0 . 4.73 165 143 A 10 ILE H A 10 ILE HD1% 1.0 . 4.30 166 144 A 10 ILE H A 10 ILE HG2% 1.0 . 4.19 167 145 A 10 ILE H A 10 ILE HB 1.0 . 4.03 168 146 A 9 ARG HBx A 10 ILE H 1.0 . 4.12 169 147 A 7 TYR H A 7 TYR HBx 1.0 . 3.88 170 148 A 7 TYR H A 7 TYR HBy 1.0 . 3.91 171 149 A 7 TYR H B 36 ALA HB% 1.0 . 5.01 172 150 A 6 ALA HB% A 7 TYR H 1.0 . 3.73 173 151 A 7 TYR H B 36 ALA HA 1.0 . 3.74 174 152 A 7 TYR H A 6 ALA HA 1.0 . 3.06 175 153 A 7 TYR H A 16 ARG HA 1.0 . 4.61 176 154 A 7 TYR H A 7 TYR HD% 1.0 . 4.63 177 155 A 7 TYR H A 8 VAL HG1% 1.0 . 4.39 178 155 A 8 VAL HG2% A 7 TYR H 1.0 . 4.39 179 156 A 12 GLY H A 11 ARG H 1.0 . 4.03 180 157 A 11 ARG H A 11 ARG HG2 1.0 . 3.71 181 157 A 11 ARG HG3 A 11 ARG H 1.0 . 3.71 182 158 A 10 ILE HD1% A 11 ARG H 1.0 . 4.85 183 159 A 10 ILE HG2% A 11 ARG H 1.0 . 3.90 184 160 A 10 ILE HB A 11 ARG H 1.0 . 4.10 185 161 A 11 ARG HBx A 11 ARG H 1.0 . 4.12 186 162 A 11 ARG H A 11 ARG HD2 1.0 . 4.88 187 162 A 11 ARG H A 11 ARG HD3 1.0 . 4.88 188 163 B 40 ILE HA B 41 ARG H 1.0 . 2.96 189 164 B 42 GLY H B 41 ARG H 1.0 . 3.96 190 165 B 40 ILE H B 41 ARG H 1.0 . 4.76 191 166 B 41 ARG H B 40 ILE HD1% 1.0 . 4.87 192 167 B 41 ARG H B 40 ILE HG2% 1.0 . 4.16 193 168 B 40 ILE HB B 41 ARG H 1.0 . 3.92 194 169 B 41 ARG H B 41 ARG HG2 1.0 . 3.92 195 169 B 41 ARG HG3 B 41 ARG H 1.0 . 3.92 196 170 B 41 ARG H B 41 ARG HD2 1.0 . 4.42 197 170 B 41 ARG HD3 B 41 ARG H 1.0 . 4.42 198 171 B 32 TRP HBx B 32 TRP H 1.0 . 3.71 199 172 B 32 TRP HBy B 32 TRP H 1.0 . 4.00 200 173 B 32 TRP H B 32 TRP HD1 1.0 . 4.13 201 174 B 32 TRP H B 31 ARG HBx 1.0 . 4.29 202 175 B 31 ARG HBy B 32 TRP H 1.0 . 3.77 203 176 B 32 TRP H B 31 ARG HG2 1.0 . 3.90 204 176 B 31 ARG HG3 B 32 TRP H 1.0 . 3.90 205 177 B 32 TRP H B 51 TRP HBx 1.0 . 4.21 206 178 B 32 TRP H B 31 ARG HA 1.0 . 2.97 207 179 B 32 TRP H B 51 TRP H 1.0 . 3.85 208 180 A 6 ALA HB% A 17 TYR H 1.0 . 4.00 209 181 A 17 TYR HBx A 17 TYR H 1.0 . 3.61 210 182 A 17 TYR HBy A 17 TYR H 1.0 . 3.70 211 183 A 17 TYR H A 16 ARG HA 1.0 . 2.89 212 184 A 17 TYR H A 7 TYR HA 1.0 . 4.14 213 185 A 17 TYR H A 15 VAL HG1% 1.0 . 4.53 214 185 A 17 TYR H A 15 VAL HG2% 1.0 . 4.53 215 186 A 17 TYR H A 6 ALA H 1.0 . 3.91 216 187 A 17 TYR H A 16 ARG HG2 1.0 . 4.28 217 187 A 17 TYR H A 16 ARG HG3 1.0 . 4.28 218 188 A 17 TYR H A 16 ARG HB2 1.0 . 3.86 219 188 A 17 TYR H A 16 ARG HB3 1.0 . 3.86 220 189 A 17 TYR H A 17 TYR HD% 1.0 . 4.33 221 190 B 36 ALA HB% B 47 TYR H 1.0 . 3.80 222 191 B 47 TYR HBx B 47 TYR H 1.0 . 3.69 223 192 B 47 TYR HBy B 47 TYR H 1.0 . 3.85 224 193 B 47 TYR H B 37 TYR HA 1.0 . 4.28 225 194 B 47 TYR H B 46 ARG HA 1.0 . 2.88 226 195 B 47 TYR H B 46 ARG HG2 1.0 . 4.35 227 195 B 47 TYR H B 46 ARG HG3 1.0 . 4.35 228 196 B 47 TYR H B 46 ARG HBy 1.0 . 4.29 229 197 B 47 TYR H B 46 ARG HBx 1.0 . 4.29 230 198 B 47 TYR HD% B 47 TYR H 1.0 . 4.24 231 199 B 38 VAL H B 45 VAL HG2% 1.0 . 4.73 232 200 B 38 VAL H B 45 VAL HG1% 1.0 . 4.68 233 201 B 38 VAL H B 45 VAL HB 1.0 . 3.96 234 202 B 37 TYR HA B 38 VAL H 1.0 . 2.95 235 203 B 46 ARG HA B 38 VAL H 1.0 . 3.96 236 204 B 38 VAL H B 37 TYR HD% 1.0 . 4.37 237 205 B 38 VAL H B 37 TYR H 1.0 . 4.09 238 206 B 38 VAL H B 38 VAL HG2% 1.0 . 4.11 239 207 B 38 VAL H B 38 VAL HG1% 1.0 . 3.69 240 208 B 38 VAL H B 44 LEU HD2% 1.0 . 3.95 241 209 B 38 VAL H B 38 VAL HB 1.0 . 3.47 242 210 B 38 VAL H B 45 VAL H 1.0 . 3.83 243 211 B 34 VAL HB B 35 TYR H 1.0 . 4.02 244 212 B 35 TYR H B 34 VAL HG1% 1.0 . 3.60 245 212 B 34 VAL HG2% B 35 TYR H 1.0 . 3.60 246 213 A 6 ALA HB% B 35 TYR H 1.0 . 4.48 247 214 B 35 TYR H B 34 VAL HA 1.0 . 3.02 248 215 A 6 ALA HA B 35 TYR H 1.0 . 3.62 249 216 B 35 TYR H A 5 TYR H 1.0 . 4.33 250 217 B 35 TYR H B 35 TYR HBx 1.0 . 3.91 251 218 B 35 TYR H B 35 TYR HBy 1.0 . 3.78 252 219 B 36 ALA HB% B 37 TYR H 1.0 . 3.53 253 220 B 37 TYR H A 8 VAL HA 1.0 . 3.62 254 221 B 36 ALA HA B 37 TYR H 1.0 . 2.97 255 222 A 7 TYR H B 37 TYR H 1.0 . 4.08 256 223 B 37 TYR H A 8 VAL HG1% 1.0 . 3.97 257 223 A 8 VAL HG2% B 37 TYR H 1.0 . 3.97 258 224 B 37 TYR H A 9 ARG H 1.0 . 4.28 259 225 B 37 TYR H B 38 VAL HG1% 1.0 . 3.82 260 226 B 37 TYR H B 37 TYR HBx 1.0 . 3.97 261 227 B 37 TYR H B 37 TYR HBy 1.0 . 3.80 262 228 A 5 TYR H B 34 VAL HG1% 1.0 . 4.47 263 228 B 34 VAL HG2% A 5 TYR H 1.0 . 4.47 264 229 A 5 TYR H A 4 VAL HG1% 1.0 . 3.64 265 229 A 4 VAL HG2% A 5 TYR H 1.0 . 3.64 266 230 A 4 VAL HB A 5 TYR H 1.0 . 4.22 267 231 B 34 VAL HA A 5 TYR H 1.0 . 3.70 268 232 A 4 VAL HA A 5 TYR H 1.0 . 3.05 269 233 A 5 TYR H A 5 TYR HD% 1.0 . 4.21 270 234 A 5 TYR H A 5 TYR HBx 1.0 . 3.73 271 235 A 5 TYR H A 5 TYR HBy 1.0 . 4.03 272 236 B 46 ARG HE B 46 ARG HG2 1.0 . 3.54 273 236 B 46 ARG HG3 B 46 ARG HE 1.0 . 3.54 274 237 B 46 ARG HBx B 46 ARG HE 1.0 . 3.92 275 238 A 14 LEU HD2% A 16 ARG H 1.0 . 4.68 276 239 A 16 ARG H A 15 VAL HB 1.0 . 4.35 277 240 A 16 ARG H A 15 VAL HA 1.0 . 2.70 278 241 A 16 ARG H A 15 VAL HG1% 1.0 . 3.24 279 241 A 15 VAL HG2% A 16 ARG H 1.0 . 3.24 280 242 A 16 ARG H A 16 ARG HG2 1.0 . 3.67 281 242 A 16 ARG HG3 A 16 ARG H 1.0 . 3.67 282 243 A 16 ARG H A 16 ARG HD2 1.0 . 4.33 283 243 A 16 ARG H A 16 ARG HD3 1.0 . 4.33 284 244 A 16 ARG H A 16 ARG HB2 1.0 . 3.44 285 244 A 16 ARG HB3 A 16 ARG H 1.0 . 3.44 286 245 B 45 VAL HG2% B 46 ARG H 1.0 . 3.49 287 246 B 45 VAL HB B 46 ARG H 1.0 . 4.41 288 247 B 46 ARG H B 45 VAL HA 1.0 . 2.66 289 248 B 47 TYR H B 46 ARG H 1.0 . 4.51 290 249 B 46 ARG H B 46 ARG HG2 1.0 . 3.96 291 249 B 46 ARG HG3 B 46 ARG H 1.0 . 3.96 292 250 B 46 ARG H B 44 LEU HG 1.0 . 4.40 293 251 B 46 ARG HBy B 46 ARG H 1.0 . 3.69 294 252 B 46 ARG HBx B 46 ARG H 1.0 . 3.55 295 253 A 7 TYR HBx A 8 VAL H 1.0 . 4.54 296 254 A 7 TYR HBy A 8 VAL H 1.0 . 4.55 297 255 A 16 ARG HA A 8 VAL H 1.0 . 4.27 298 256 A 15 VAL HB A 8 VAL H 1.0 . 3.96 299 257 A 7 TYR HA A 8 VAL H 1.0 . 2.93 300 258 A 7 TYR HD% A 8 VAL H 1.0 . 4.33 301 259 A 8 VAL H A 15 VAL HG1% 1.0 . 4.18 302 259 A 15 VAL HG2% A 8 VAL H 1.0 . 4.18 303 260 A 8 VAL H A 8 VAL HG1% 1.0 . 3.71 304 260 A 8 VAL HG2% A 8 VAL H 1.0 . 3.71 305 261 A 8 VAL H A 8 VAL HB 1.0 . 3.52 306 262 B 39 ARG HA B 40 ILE H 1.0 . 2.86 307 263 B 40 ILE H B 44 LEU HA 1.0 . 4.09 308 264 B 43 VAL HB B 40 ILE H 1.0 . 4.51 309 265 B 40 ILE H B 39 ARG HD2 1.0 . 4.60 310 265 B 40 ILE H B 39 ARG HD3 1.0 . 4.60 311 266 B 40 ILE H B 40 ILE HG1x 1.0 . 4.57 312 267 B 39 ARG HBy B 40 ILE H 1.0 . 4.26 313 268 B 40 ILE H B 38 VAL HG2% 1.0 . 4.36 314 269 B 40 ILE H B 40 ILE HG2% 1.0 . 4.03 315 270 B 40 ILE H B 40 ILE HG1y 1.0 . 4.13 316 271 B 40 ILE H B 45 VAL H 1.0 . 4.59 317 272 A 16 ARG HE A 16 ARG HG2 1.0 . 3.40 318 272 A 16 ARG HG3 A 16 ARG HE 1.0 . 3.40 319 273 A 16 ARG HE A 16 ARG HB2 1.0 . 3.29 320 273 A 16 ARG HB3 A 16 ARG HE 1.0 . 3.29 321 274 A 6 ALA HB% A 6 ALA H 1.0 . 3.49 322 275 A 5 TYR HA A 6 ALA H 1.0 . 3.10 323 276 A 18 ARG HA A 6 ALA H 1.0 . 4.02 324 277 A 17 TYR HBx A 6 ALA H 1.0 . 4.48 325 278 A 17 TYR HBy A 6 ALA H 1.0 . 4.63 326 279 A 17 TYR HD% A 6 ALA H 1.0 . 4.69 327 280 A 6 ALA H A 5 TYR HD% 1.0 . 4.72 328 281 A 6 ALA H A 5 TYR HBy 1.0 . 4.18 329 282 B 38 VAL HA B 39 ARG H 1.0 . 2.90 330 283 B 39 ARG H A 9 ARG HBy 1.0 . 3.99 331 284 B 39 ARG H B 39 ARG HG2 1.0 . 4.01 332 284 B 39 ARG H B 39 ARG HG3 1.0 . 4.01 333 285 B 39 ARG H B 39 ARG HD2 1.0 . 4.79 334 285 B 39 ARG HD3 B 39 ARG H 1.0 . 4.79 335 286 B 40 ILE H B 39 ARG H 1.0 . 4.44 336 287 B 39 ARG HBx B 39 ARG H 1.0 . 3.58 337 288 B 39 ARG HBy B 39 ARG H 1.0 . 3.62 338 289 B 38 VAL HG2% B 39 ARG H 1.0 . 3.64 339 290 B 38 VAL HG1% B 39 ARG H 1.0 . 3.89 340 291 B 44 LEU HD2% B 39 ARG H 1.0 . 4.60 341 292 B 38 VAL HB B 39 ARG H 1.0 . 4.15 342 293 A 1 ARG HA A 2 TRP H 1.0 . 2.86 343 294 A 2 TRP H A 1 ARG HB2 1.0 . 3.75 344 294 A 2 TRP H A 1 ARG HB3 1.0 . 3.75 345 295 A 2 TRP H A 1 ARG HG2 1.0 . 3.93 346 295 A 2 TRP H A 1 ARG HG3 1.0 . 3.93 347 296 A 2 TRP H A 1 ARG HD2 1.0 . 4.17 348 296 A 2 TRP H A 1 ARG HD3 1.0 . 4.17 349 297 A 2 TRP HBx A 2 TRP H 1.0 . 3.56 350 298 A 2 TRP HBy A 2 TRP H 1.0 . 3.83 351 299 A 2 TRP H A 2 TRP HD1 1.0 . 4.24 352 300 A 9 ARG H B 38 VAL HA 1.0 . 3.50 353 301 A 8 VAL HA A 9 ARG H 1.0 . 2.99 354 302 A 9 ARG H A 9 ARG HBy 1.0 . 4.10 355 303 A 9 ARG H B 39 ARG H 1.0 . 4.29 356 304 A 9 ARG H A 8 VAL HG1% 1.0 . 3.38 357 304 A 8 VAL HG2% A 9 ARG H 1.0 . 3.38 358 305 B 38 VAL HG2% A 9 ARG H 1.0 . 4.02 359 306 A 9 ARG H A 8 VAL HB 1.0 . 4.10 360 307 A 9 ARG HBx A 9 ARG H 1.0 . 4.06 361 308 A 14 LEU HD2% A 15 VAL H 1.0 . 3.65 362 309 A 15 VAL HB A 15 VAL H 1.0 . 3.52 363 310 A 15 VAL H A 14 LEU HBy 1.0 . 4.43 364 311 A 14 LEU HA A 15 VAL H 1.0 . 3.00 365 312 A 9 ARG HA A 15 VAL H 1.0 . 4.52 366 313 A 16 ARG H A 15 VAL H 1.0 . 4.48 367 314 A 15 VAL H A 14 LEU HG 1.0 . 4.19 368 315 A 8 VAL H A 15 VAL H 1.0 . 4.15 369 316 A 15 VAL H A 15 VAL HG1% 1.0 . 3.40 370 316 A 15 VAL HG2% A 15 VAL H 1.0 . 3.40 371 317 A 15 VAL H A 8 VAL HG1% 1.0 . 4.49 372 317 A 8 VAL HG2% A 15 VAL H 1.0 . 4.49 373 318 A 15 VAL H A 14 LEU HBx 1.0 . 5.03 374 319 A 8 VAL HB A 15 VAL H 1.0 . 4.16 375 320 B 36 ALA H B 34 VAL HG1% 1.0 . 4.71 376 320 B 34 VAL HG2% B 36 ALA H 1.0 . 4.71 377 321 B 36 ALA HB% B 36 ALA H 1.0 . 3.34 378 322 B 36 ALA H B 35 TYR HA 1.0 . 2.96 379 323 B 47 TYR H B 36 ALA H 1.0 . 3.71 380 324 B 35 TYR HBx B 36 ALA H 1.0 . 4.49 381 325 B 35 TYR HBy B 36 ALA H 1.0 . 4.36 382 326 B 35 TYR HD% B 36 ALA H 1.0 . 4.01 383 327 B 44 LEU H B 44 LEU HBy 1.0 . 3.11 384 328 B 43 VAL HB B 44 LEU H 1.0 . 3.94 385 329 B 44 LEU H B 43 VAL HA 1.0 . 2.70 386 330 B 43 VAL HG2% B 44 LEU H 1.0 . 3.34 387 331 B 44 LEU H B 44 LEU HBx 1.0 . 3.30 388 332 B 44 LEU HG B 44 LEU H 1.0 . 3.76 389 333 B 44 LEU HD2% B 44 LEU H 1.0 . 4.22 390 334 B 44 LEU H B 44 LEU HD1% 1.0 . 4.12 391 335 B 45 VAL H B 44 LEU H 1.0 . 4.43 392 336 A 14 LEU HD2% A 14 LEU H 1.0 . 4.74 393 337 A 14 LEU H A 14 LEU HD1% 1.0 . 5.86 394 338 A 14 LEU HBy A 14 LEU H 1.0 . 3.19 395 339 A 13 VAL HG2% A 14 LEU H 1.0 . 3.85 396 340 A 13 VAL HG1% A 14 LEU H 1.0 . 4.12 397 341 A 13 VAL HB A 14 LEU H 1.0 . 4.20 398 342 A 14 LEU H A 13 VAL HA 1.0 . 2.76 399 343 A 14 LEU HG A 14 LEU H 1.0 . 4.43 400 344 A 14 LEU HBx A 14 LEU H 1.0 . 3.54 401 345 B 39 ARG HA B 45 VAL H 1.0 . 4.18 402 346 B 45 VAL HG2% B 45 VAL H 1.0 . 4.61 403 347 B 45 VAL HG1% B 45 VAL H 1.0 . 3.46 404 348 B 45 VAL HB B 45 VAL H 1.0 . 3.46 405 349 B 45 VAL H B 44 LEU HBy 1.0 . 4.55 406 350 B 45 VAL H B 44 LEU HA 1.0 . 3.04 407 351 B 45 VAL H B 44 LEU HBx 1.0 . 4.36 408 352 B 45 VAL H B 44 LEU HG 1.0 . 4.29 409 353 B 38 VAL HG2% B 45 VAL H 1.0 . 4.57 410 354 B 44 LEU HD2% B 45 VAL H 1.0 . 3.47 411 355 B 38 VAL HB B 45 VAL H 1.0 . 4.50 412 356 A 20 CYS HBx A 21 TRP H 1.0 . 3.86 413 357 A 20 CYS HA A 21 TRP H 1.0 . 3.24 414 358 A 3 CYS HA A 21 TRP H 1.0 . 3.95 415 359 A 20 CYS HBy A 21 TRP H 1.0 . 4.36 416 360 A 2 TRP H A 21 TRP H 1.0 . 3.84 417 361 A 21 TRP H A 21 TRP HE3 1.0 . 3.74 418 362 A 21 TRP H A 21 TRP HBx 1.0 . 3.85 419 363 A 21 TRP H A 21 TRP HBy 1.0 . 4.05 420 364 B 33 CYS HA B 51 TRP H 1.0 . 4.12 421 365 B 50 CYS HBx B 51 TRP H 1.0 . 3.81 422 366 B 50 CYS HA B 51 TRP H 1.0 . 3.27 423 367 B 50 CYS HBy B 51 TRP H 1.0 . 4.01 424 368 B 51 TRP H B 51 TRP HE3 1.0 . 3.72 425 369 B 51 TRP HBx B 51 TRP H 1.0 . 3.81 426 370 B 51 TRP H B 51 TRP HBy 1.0 . 4.00 427 371 B 40 ILE H B 40 ILE HB 1.0 . 3.56 428 372 B 39 ARG HBx B 40 ILE H 1.0 . 0.00 429 373 B 39 ARG HBx A 10 ILE HG2% 1.0 . 2.79 430 374 A 10 ILE HG2% A 11 ARG HD2 1.0 . 3.33 431 374 A 10 ILE HG2% A 11 ARG HD3 1.0 . 3.33 432 375 B 48 ARG HB2 B 48 ARG HDy 1.0 . 3.83 433 375 B 48 ARG HB3 B 48 ARG HDy 1.0 . 3.83 434 375 B 48 ARG HDx B 48 ARG HB2 1.0 . 3.83 435 375 B 48 ARG HB3 B 48 ARG HDx 1.0 . 3.83 436 376 B 48 ARG HDx B 48 ARG HG2 1.0 . 2.80 437 376 B 48 ARG HDy B 48 ARG HG2 1.0 . 2.80 438 376 B 48 ARG HG3 B 48 ARG HDy 1.0 . 2.80 439 376 B 48 ARG HG3 B 48 ARG HDx 1.0 . 2.80 440 377 A 11 ARG HBx A 11 ARG HG2 1.0 . 2.88 441 377 A 11 ARG HBx A 11 ARG HG3 1.0 . 2.88 442 378 A 11 ARG HBx A 11 ARG HD2 1.0 . 3.13 443 378 A 11 ARG HBx A 11 ARG HD3 1.0 . 3.13 444 379 A 11 ARG HBy A 11 ARG HD2 1.0 . 3.14 445 379 A 11 ARG HBy A 11 ARG HD3 1.0 . 3.14 446 380 A 11 ARG HD2 A 11 ARG HG2 1.0 . 2.40 447 380 A 11 ARG HD3 A 11 ARG HG2 1.0 . 2.40 448 380 A 11 ARG HG3 A 11 ARG HD2 1.0 . 2.40 449 380 A 11 ARG HG3 A 11 ARG HD3 1.0 . 2.40 450 381 B 41 ARG HBx B 41 ARG HD2 1.0 . 3.68 451 381 B 41 ARG HBx B 41 ARG HD3 1.0 . 3.68 452 382 B 41 ARG HBy B 41 ARG HG2 1.0 . 2.71 453 382 B 41 ARG HBy B 41 ARG HG3 1.0 . 2.71 454 383 B 41 ARG HBx B 41 ARG HG2 1.0 . 2.63 455 383 B 41 ARG HBx B 41 ARG HG3 1.0 . 2.63 456 384 B 41 ARG HD2 B 41 ARG HG2 1.0 . 2.81 457 384 B 41 ARG HD3 B 41 ARG HG2 1.0 . 2.81 458 384 B 41 ARG HG3 B 41 ARG HD2 1.0 . 2.81 459 384 B 41 ARG HG3 B 41 ARG HD3 1.0 . 2.81 460 385 B 41 ARG HBy B 41 ARG HD2 1.0 . 3.29 461 385 B 41 ARG HBy B 41 ARG HD3 1.0 . 3.29 462 386 B 41 ARG HA B 41 ARG HD2 1.0 . 2.96 463 386 B 41 ARG HD3 B 41 ARG HA 1.0 . 2.96 464 387 B 40 ILE HG2% B 41 ARG HD2 1.0 . 3.50 465 387 B 41 ARG HD3 B 40 ILE HG2% 1.0 . 3.50 466 388 A 1 ARG HA A 1 ARG HB2 1.0 . 2.97 467 388 A 1 ARG HA A 1 ARG HB3 1.0 . 2.97 468 389 A 1 ARG HA A 1 ARG HG2 1.0 . 3.17 469 389 A 1 ARG HA A 1 ARG HG3 1.0 . 3.17 470 390 A 1 ARG HB2 A 1 ARG HG2 1.0 . 2.40 471 390 A 1 ARG HB3 A 1 ARG HG2 1.0 . 2.40 472 390 A 1 ARG HG3 A 1 ARG HB2 1.0 . 2.40 473 390 A 1 ARG HB3 A 1 ARG HG3 1.0 . 2.40 474 391 A 1 ARG HA A 1 ARG HD2 1.0 . 3.19 475 391 A 1 ARG HA A 1 ARG HD3 1.0 . 3.19 476 392 A 1 ARG HB3 A 1 ARG HD2 1.0 . 2.64 477 392 A 1 ARG HD3 A 1 ARG HB2 1.0 . 2.64 478 392 A 1 ARG HB3 A 1 ARG HD3 1.0 . 2.64 479 392 A 1 ARG HB2 A 1 ARG HD2 1.0 . 2.64 480 393 A 1 ARG HD2 A 1 ARG HG2 1.0 . 2.40 481 393 A 1 ARG HD3 A 1 ARG HG2 1.0 . 2.40 482 393 A 1 ARG HG3 A 1 ARG HD2 1.0 . 2.40 483 393 A 1 ARG HG3 A 1 ARG HD3 1.0 . 2.40 484 394 B 34 VAL HA B 34 VAL HG1% 1.0 . 2.58 485 394 B 34 VAL HG2% B 34 VAL HA 1.0 . 2.58 486 395 B 32 TRP HE3 B 34 VAL HG1% 1.0 . 3.24 487 395 B 32 TRP HE3 B 34 VAL HG2% 1.0 . 3.24 488 396 A 20 CYS HA A 4 VAL HG1% 1.0 . 3.27 489 396 A 4 VAL HG2% A 20 CYS HA 1.0 . 3.27 490 397 A 4 VAL HA A 4 VAL HG1% 1.0 . 2.68 491 397 A 4 VAL HG2% A 4 VAL HA 1.0 . 2.68 492 398 A 4 VAL HG1% A 19 ARG HDy 1.0 . 2.84 493 398 A 4 VAL HG2% A 19 ARG HDy 1.0 . 2.84 494 398 A 19 ARG HDx A 4 VAL HG1% 1.0 . 2.84 495 398 A 4 VAL HG2% A 19 ARG HDx 1.0 . 2.84 496 399 A 7 TYR HBx B 36 ALA HB% 1.0 . 3.47 497 400 A 7 TYR HBy B 36 ALA HB% 1.0 . 3.71 498 401 B 47 TYR HBx B 36 ALA HB% 1.0 . 3.43 499 402 B 47 TYR HBy B 36 ALA HB% 1.0 . 3.51 500 403 A 6 ALA HB% B 35 TYR HBx 1.0 . 3.42 501 404 A 6 ALA HB% A 17 TYR HD% 1.0 . 3.19 502 405 B 40 ILE HA B 40 ILE HG1x 1.0 . 3.46 503 406 B 40 ILE HA B 40 ILE HD1% 1.0 . 3.56 504 407 B 39 ARG HA B 44 LEU HA 1.0 . 3.09 505 408 B 41 ARG HA B 41 ARG HG2 1.0 . 3.03 506 408 B 41 ARG HG3 B 41 ARG HA 1.0 . 3.03 507 409 A 11 ARG HA A 11 ARG HD2 1.0 . 3.47 508 409 A 11 ARG HA A 11 ARG HD3 1.0 . 3.47 509 410 B 33 CYS HA B 50 CYS HA 1.0 . 2.90 510 411 A 20 CYS HA A 3 CYS HA 1.0 . 2.99 511 412 B 36 ALA HB% A 6 ALA HA 1.0 . 3.42 512 413 B 49 ARG HGx B 49 ARG HA 1.0 . 3.70 513 414 B 49 ARG HGy B 49 ARG HA 1.0 . 3.28 514 415 A 19 ARG HGy A 19 ARG HA 1.0 . 3.40 515 416 B 48 ARG HA B 48 ARG HG2 1.0 . 3.26 516 416 B 48 ARG HG3 B 48 ARG HA 1.0 . 3.26 517 417 B 48 ARG HA B 35 TYR HD% 1.0 . 3.47 518 418 A 18 ARG HA A 5 TYR HA 1.0 . 2.44 519 419 A 18 ARG HA A 18 ARG HGx 1.0 . 3.22 520 419 A 18 ARG HA A 18 ARG HGy 1.0 . 3.22 521 420 A 17 TYR HA A 17 TYR HD% 1.0 . 3.13 522 421 A 14 LEU HD2% A 14 LEU HBy 1.0 . 3.25 523 422 A 14 LEU HA A 14 LEU HD2% 1.0 . 2.84 524 423 A 9 ARG HA A 14 LEU HD2% 1.0 . 3.45 525 424 A 14 LEU HD2% A 15 VAL H 1.0 . 3.43 526 425 A 14 LEU HD2% A 14 LEU HBx 1.0 . 3.22 527 426 A 14 LEU HD2% A 16 ARG HD2 1.0 . 3.40 528 426 A 14 LEU HD2% A 16 ARG HD3 1.0 . 3.40 529 427 A 9 ARG HBx A 14 LEU HD2% 1.0 . 2.98 530 428 A 14 LEU HD2% A 9 ARG HDx 1.0 . 3.67 531 429 A 14 LEU HA A 14 LEU HG 1.0 . 3.84 532 430 A 14 LEU HG A 16 ARG HD2 1.0 . 3.84 533 430 A 16 ARG HD3 A 14 LEU HG 1.0 . 3.84 534 431 A 16 ARG HA A 7 TYR HA 1.0 . 2.40 535 432 B 45 VAL HG1% B 45 VAL HA 1.0 . 2.72 536 433 B 45 VAL HG1% B 45 VAL H 1.0 . 3.21 537 434 B 38 VAL H B 45 VAL HB 1.0 . 3.67 538 435 B 45 VAL HB B 45 VAL H 1.0 . 3.52 539 436 B 44 LEU HG B 44 LEU HA 1.0 . 3.73 540 437 B 45 VAL H B 44 LEU HA 1.0 . 3.47 541 438 A 14 LEU HA A 15 VAL H 1.0 . 3.34 542 439 A 14 LEU HA A 14 LEU HD1% 1.0 . 3.50 543 440 B 43 VAL HG2% B 43 VAL HA 1.0 . 3.38 544 441 B 43 VAL HG1% B 43 VAL HA 1.0 . 2.94 545 442 A 13 VAL HG1% A 13 VAL HA 1.0 . 2.40 546 443 A 14 LEU HA A 9 ARG HA 1.0 . 3.28 547 444 A 9 ARG HA A 9 ARG HG2 1.0 . 3.45 548 444 A 9 ARG HG3 A 9 ARG HA 1.0 . 3.45 549 445 A 4 VAL HA B 33 CYS HBx 1.0 . 3.94 550 446 A 7 TYR HD% A 7 TYR HA 1.0 . 3.86 551 447 B 47 TYR H B 37 TYR HA 1.0 . 4.99 552 448 B 37 TYR HA B 38 VAL H 1.0 . 3.51 553 449 B 37 TYR HA B 46 ARG HA 1.0 . 3.20 554 450 B 46 ARG HA B 38 VAL H 1.0 . 3.77 555 451 B 39 ARG HA B 39 ARG HG2 1.0 . 3.15 556 451 B 39 ARG HA B 39 ARG HG3 1.0 . 3.15 557 452 B 39 ARG HBy B 39 ARG HG2 1.0 . 2.85 558 452 B 39 ARG HBy B 39 ARG HG3 1.0 . 2.85 559 453 B 46 ARG HA B 46 ARG HG2 1.0 . 2.82 560 453 B 46 ARG HA B 46 ARG HG3 1.0 . 2.82 561 454 B 46 ARG HBx B 46 ARG HG2 1.0 . 2.40 562 454 B 46 ARG HG3 B 46 ARG HBx 1.0 . 2.40 563 455 B 39 ARG HD2 B 39 ARG HG2 1.0 . 2.62 564 455 B 39 ARG HD3 B 39 ARG HG2 1.0 . 2.62 565 455 B 39 ARG HG3 B 39 ARG HD2 1.0 . 2.62 566 455 B 39 ARG HD3 B 39 ARG HG3 1.0 . 2.62 567 456 B 39 ARG HBx B 39 ARG HD2 1.0 . 2.79 568 456 B 39 ARG HBx B 39 ARG HD3 1.0 . 2.79 569 457 B 39 ARG HBy B 39 ARG HD2 1.0 . 2.61 570 457 B 39 ARG HBy B 39 ARG HD3 1.0 . 2.61 571 458 B 37 TYR HE% B 39 ARG HD2 1.0 . 3.40 572 458 B 39 ARG HD3 B 37 TYR HE% 1.0 . 3.40 573 459 A 15 VAL HA A 15 VAL HG1% 1.0 . 2.40 574 459 A 15 VAL HG2% A 15 VAL HA 1.0 . 2.40 575 460 A 15 VAL H A 15 VAL HG1% 1.0 . 3.14 576 460 A 15 VAL HG2% A 15 VAL H 1.0 . 3.14 577 461 A 11 ARG HA A 11 ARG HG2 1.0 . 3.27 578 461 A 11 ARG HA A 11 ARG HG3 1.0 . 3.27 579 462 A 8 VAL HA A 8 VAL HG1% 1.0 . 2.61 580 462 A 8 VAL HG2% A 8 VAL HA 1.0 . 2.61 581 463 B 37 TYR HD% A 8 VAL HG1% 1.0 . 3.18 582 463 A 8 VAL HG2% B 37 TYR HD% 1.0 . 3.18 583 464 B 37 TYR HBx A 8 VAL HG1% 1.0 . 3.19 584 464 A 8 VAL HG2% B 37 TYR HBx 1.0 . 3.19 585 465 B 37 TYR HBy A 8 VAL HG1% 1.0 . 3.08 586 465 A 8 VAL HG2% B 37 TYR HBy 1.0 . 3.08 587 466 A 19 ARG HA A 19 ARG HDy 1.0 . 3.22 588 466 A 19 ARG HA A 19 ARG HDx 1.0 . 3.22 589 467 A 20 CYS H A 19 ARG HDy 1.0 . 4.31 590 467 A 20 CYS H A 19 ARG HDx 1.0 . 4.31 591 468 B 49 ARG HGy B 49 ARG HBx 1.0 . 2.42 592 469 A 10 ILE HG1y A 10 ILE HA 1.0 . 3.75 593 470 A 10 ILE HG1y A 10 ILE HB 1.0 . 3.02 594 471 A 10 ILE HG1x A 10 ILE HA 1.0 . 3.62 595 472 B 49 ARG HA B 49 ARG HDy 1.0 . 3.19 596 472 B 49 ARG HA B 49 ARG HDx 1.0 . 3.19 597 473 B 49 ARG HGy B 49 ARG HDy 1.0 . 2.85 598 473 B 49 ARG HGy B 49 ARG HDx 1.0 . 2.85 599 474 B 49 ARG HBy B 49 ARG HDy 1.0 . 3.12 600 474 B 49 ARG HBy B 49 ARG HDx 1.0 . 3.12 601 475 B 38 VAL HG2% B 38 VAL HA 1.0 . 2.87 602 476 B 38 VAL HG2% A 9 ARG HDx 1.0 . 3.19 603 477 B 38 VAL HG1% B 38 VAL HA 1.0 . 2.83 604 478 B 36 ALA HB% B 38 VAL HG1% 1.0 . 2.64 605 479 B 38 VAL HG1% A 9 ARG HDx 1.0 . 3.36 606 480 A 13 VAL HG2% A 13 VAL HA 1.0 . 2.40 607 481 B 31 ARG HBy B 31 ARG HD2 1.0 . 3.93 608 481 B 31 ARG HBy B 31 ARG HD3 1.0 . 3.93 609 482 B 31 ARG HBx B 31 ARG HG2 1.0 . 2.82 610 482 B 31 ARG HG3 B 31 ARG HBx 1.0 . 2.82 611 483 B 31 ARG HBy B 31 ARG HG2 1.0 . 2.40 612 483 B 31 ARG HBy B 31 ARG HG3 1.0 . 2.40 613 484 A 14 LEU HBy A 14 LEU HD1% 1.0 . 2.67 614 485 A 14 LEU HBx A 14 LEU HD1% 1.0 . 2.71 615 486 A 14 LEU HD1% A 16 ARG HG2 1.0 . 2.92 616 486 A 16 ARG HG3 A 14 LEU HD1% 1.0 . 2.92 617 487 B 46 ARG HA B 46 ARG HBy 1.0 . 2.64 618 488 B 46 ARG HBy B 46 ARG HG2 1.0 . 2.40 619 488 B 46 ARG HG3 B 46 ARG HBy 1.0 . 2.40 620 489 B 39 ARG HA B 44 LEU HD2% 1.0 . 3.29 621 490 B 44 LEU HD2% B 44 LEU HA 1.0 . 2.75 622 491 B 44 LEU HD2% B 39 ARG HG2 1.0 . 3.05 623 491 B 44 LEU HD2% B 39 ARG HG3 1.0 . 3.05 624 492 B 44 LEU HD2% B 44 LEU HBx 1.0 . 3.07 625 493 B 44 LEU HD2% B 46 ARG HD2 1.0 . 3.26 626 493 B 44 LEU HD2% B 46 ARG HD3 1.0 . 3.26 627 494 B 44 LEU HD2% B 37 TYR HE% 1.0 . 3.25 628 495 B 44 LEU HD2% B 45 VAL H 1.0 . 3.18 629 496 B 44 LEU HBy B 44 LEU HD1% 1.0 . 2.64 630 497 B 44 LEU HBx B 44 LEU HD1% 1.0 . 2.48 631 498 B 44 LEU HD1% B 37 TYR HE% 1.0 . 3.21 632 499 B 37 TYR HD% B 46 ARG HD2 1.0 . 3.48 633 499 B 37 TYR HD% B 46 ARG HD3 1.0 . 3.48 634 500 B 46 ARG HD3 B 46 ARG HG2 1.0 . 2.54 635 500 B 46 ARG HD2 B 46 ARG HG2 1.0 . 2.54 636 500 B 46 ARG HG3 B 46 ARG HD2 1.0 . 2.54 637 500 B 46 ARG HG3 B 46 ARG HD3 1.0 . 2.54 638 501 B 46 ARG HBy B 46 ARG HD2 1.0 . 2.89 639 501 B 46 ARG HBy B 46 ARG HD3 1.0 . 2.89 640 502 B 44 LEU HD1% B 46 ARG HD2 1.0 . 2.99 641 502 B 44 LEU HD1% B 46 ARG HD3 1.0 . 2.99 642 503 B 46 ARG HBx B 46 ARG HD2 1.0 . 3.13 643 503 B 46 ARG HBx B 46 ARG HD3 1.0 . 3.13 644 504 B 37 TYR HE% B 46 ARG HD2 1.0 . 3.10 645 504 B 37 TYR HE% B 46 ARG HD3 1.0 . 3.10 646 505 A 16 ARG HA A 16 ARG HG2 1.0 . 3.10 647 505 A 16 ARG HA A 16 ARG HG3 1.0 . 3.10 648 506 A 7 TYR HE% A 16 ARG HG2 1.0 . 3.34 649 506 A 16 ARG HG3 A 7 TYR HE% 1.0 . 3.34 650 507 A 7 TYR HE% A 16 ARG HD2 1.0 . 3.32 651 507 A 16 ARG HD3 A 7 TYR HE% 1.0 . 3.32 652 508 A 7 TYR HD% A 16 ARG HD2 1.0 . 3.48 653 508 A 7 TYR HD% A 16 ARG HD3 1.0 . 3.48 654 509 A 14 LEU HD1% A 16 ARG HD2 1.0 . 3.09 655 509 A 16 ARG HD3 A 14 LEU HD1% 1.0 . 3.09 656 510 A 16 ARG HD3 A 16 ARG HG2 1.0 . 2.56 657 510 A 16 ARG HD2 A 16 ARG HG2 1.0 . 2.56 658 510 A 16 ARG HG3 A 16 ARG HD2 1.0 . 2.56 659 510 A 16 ARG HG3 A 16 ARG HD3 1.0 . 2.56 660 511 A 16 ARG HB3 A 16 ARG HD2 1.0 . 2.86 661 511 A 16 ARG HB2 A 16 ARG HD2 1.0 . 2.86 662 511 A 16 ARG HD3 A 16 ARG HB2 1.0 . 2.86 663 511 A 16 ARG HB3 A 16 ARG HD3 1.0 . 2.86 664 512 A 16 ARG HA A 16 ARG HB2 1.0 . 2.86 665 512 A 16 ARG HA A 16 ARG HB3 1.0 . 2.86 666 513 A 16 ARG HB2 A 16 ARG HG2 1.0 . 2.40 667 513 A 16 ARG HB3 A 16 ARG HG2 1.0 . 2.40 668 513 A 16 ARG HG3 A 16 ARG HB2 1.0 . 2.40 669 513 A 16 ARG HG3 A 16 ARG HB3 1.0 . 2.40 670 514 B 40 ILE HB B 40 ILE HD1% 1.0 . 2.85 671 515 B 40 ILE HG2% B 41 ARG HG2 1.0 . 2.91 672 515 B 41 ARG HG3 B 40 ILE HG2% 1.0 . 2.91 673 516 B 40 ILE HA B 40 ILE HG2% 1.0 . 2.78 674 517 B 40 ILE HG2% B 40 ILE HG1y 1.0 . 2.99 675 518 B 40 ILE HA B 40 ILE HG1y 1.0 . 3.48 676 519 B 40 ILE HB B 40 ILE HG1y 1.0 . 2.79 677 520 A 10 ILE HD1% B 37 TYR HD% 1.0 . 3.68 678 521 A 10 ILE HD1% B 37 TYR HE% 1.0 . 3.32 679 522 A 10 ILE HD1% A 10 ILE HB 1.0 . 2.94 680 523 A 10 ILE HG2% B 37 TYR HD% 1.0 . 3.48 681 524 A 10 ILE HG2% B 39 ARG HD2 1.0 . 3.52 682 524 A 10 ILE HG2% B 39 ARG HD3 1.0 . 3.52 683 525 A 10 ILE HG2% A 10 ILE HA 1.0 . 2.82 684 526 A 10 ILE HG2% B 37 TYR HE% 1.0 . 3.37 685 527 A 6 ALA HB% B 35 TYR HBy 1.0 . 2.99 686 528 A 9 ARG HDx A 7 TYR HE% 1.0 . 3.60 687 529 A 9 ARG HBx A 9 ARG HDx 1.0 . 2.71 688 530 A 9 ARG HBx A 9 ARG HDy 1.0 . 3.17 689 531 A 19 ARG HGx A 19 ARG HA 1.0 . 3.48 690 532 B 31 ARG HA B 31 ARG HG2 1.0 . 3.34 691 532 B 31 ARG HG3 B 31 ARG HA 1.0 . 3.34 692 533 B 31 ARG HBx B 31 ARG HD2 1.0 . 3.47 693 533 B 31 ARG HBx B 31 ARG HD3 1.0 . 3.47 694 534 B 31 ARG HA B 31 ARG HD2 1.0 . 3.27 695 534 B 31 ARG HA B 31 ARG HD3 1.0 . 3.27 696 535 A 18 ARG HBx A 18 ARG HGx 1.0 . 2.87 697 535 A 18 ARG HBy A 18 ARG HGx 1.0 . 2.87 698 535 A 18 ARG HGy A 18 ARG HBx 1.0 . 2.87 699 535 A 18 ARG HGy A 18 ARG HBy 1.0 . 2.87 700 536 A 5 TYR HE% A 18 ARG HD2 1.0 . 3.39 701 536 A 18 ARG HD3 A 5 TYR HE% 1.0 . 3.39 702 537 A 18 ARG HD2 A 18 ARG HGx 1.0 . 2.69 703 537 A 18 ARG HD3 A 18 ARG HGx 1.0 . 2.69 704 537 A 18 ARG HGy A 18 ARG HD2 1.0 . 2.69 705 537 A 18 ARG HD3 A 18 ARG HGy 1.0 . 2.69 706 538 A 18 ARG HBx A 18 ARG HD2 1.0 . 2.74 707 538 A 18 ARG HD3 A 18 ARG HBx 1.0 . 2.74 708 538 A 18 ARG HD3 A 18 ARG HBy 1.0 . 2.74 709 538 A 18 ARG HBy A 18 ARG HD2 1.0 . 2.74 710 539 A 18 ARG H A 18 ARG HGy 1.0 . 4.34 711 540 A 9 ARG H A 15 VAL HB 1.0 . 4.33 712 541 A 9 ARG H A 9 ARG HBy 1.0 . 0.00 713 542 B 48 ARG H B 35 TYR HD% 1.0 . 3.39 714 543 B 47 TYR HD% B 48 ARG H 1.0 . 0.00 715 544 B 43 VAL H B 40 ILE HB 1.0 . 4.20 716 545 B 43 VAL H B 41 ARG HG2 1.0 . 0.00 717 545 B 41 ARG HG3 B 43 VAL H 1.0 . 0.00 718 546 B 39 ARG HBx B 43 VAL H 1.0 . 0.00 719 547 B 42 GLY H B 40 ILE HG1y 1.0 . 4.85 720 548 B 42 GLY H B 39 ARG HG2 1.0 . 0.00 721 548 B 42 GLY H B 39 ARG HG3 1.0 . 0.00 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin disulfide_bond _nef_distance_restraint_list.potential_type upper-bound-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 3 CYS SG A 20 CYS SG 1.0 . 2.1 2 2 A 3 CYS SG A 20 CYS CB 1.0 . 3.1 3 3 A 20 CYS SG A 3 CYS CB 1.0 . 3.1 4 4 B 33 CYS SG B 50 CYS SG 1.0 . 2.1 5 5 B 33 CYS SG B 50 CYS CB 1.0 . 3.1 6 6 B 50 CYS SG B 33 CYS CB 1.0 . 3.1 stop_ save_ save_DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 13 VAL HB A 10 ILE HB 1.0 . 3.0 stop_ save_ save_DYANA/DIANA_distance_constraints_7 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_7 _nef_distance_restraint_list.restraint_origin disulfide_bond _nef_distance_restraint_list.potential_type upper-bound-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 3 CYS SG A 20 CYS SG 1.0 . 2.0 2 2 A 3 CYS SG A 20 CYS CB 1.0 . 3.0 3 3 A 20 CYS SG A 3 CYS CB 1.0 . 3.0 4 4 B 33 CYS SG B 50 CYS SG 1.0 . 2.0 5 5 B 33 CYS SG B 50 CYS CB 1.0 . 3.0 6 6 B 50 CYS SG B 33 CYS CB 1.0 . 3.0 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-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 3 CYS H B 31 ARG O 1.0 . 2.3 2 2 B 31 ARG O A 3 CYS N 1.0 . 3.3 3 3 A 4 VAL H A 19 ARG O 1.0 . 2.3 4 4 A 19 ARG O A 4 VAL N 1.0 . 3.3 5 5 A 5 TYR H B 33 CYS O 1.0 . 2.3 6 6 B 33 CYS O A 5 TYR N 1.0 . 3.3 7 7 A 6 ALA H A 17 TYR O 1.0 . 2.3 8 8 A 17 TYR O A 6 ALA N 1.0 . 3.3 9 9 A 7 TYR H B 35 TYR O 1.0 . 2.3 10 10 B 35 TYR O A 7 TYR N 1.0 . 3.3 11 11 A 8 VAL H A 15 VAL O 1.0 . 2.3 12 12 A 15 VAL O A 8 VAL N 1.0 . 3.3 13 13 A 9 ARG H B 37 TYR O 1.0 . 2.3 14 14 B 37 TYR O A 9 ARG N 1.0 . 3.3 15 15 A 10 ILE H A 13 VAL O 1.0 . 2.3 16 16 A 13 VAL O A 10 ILE N 1.0 . 3.3 17 17 A 13 VAL H A 10 ILE O 1.0 . 2.3 18 18 A 10 ILE O A 13 VAL N 1.0 . 3.3 19 19 A 15 VAL H A 8 VAL O 1.0 . 2.3 20 20 A 8 VAL O A 15 VAL N 1.0 . 3.3 21 21 A 17 TYR H A 6 ALA O 1.0 . 2.3 22 22 A 6 ALA O A 17 TYR N 1.0 . 3.3 23 23 A 19 ARG H A 4 VAL O 1.0 . 2.3 24 24 A 4 VAL O A 19 ARG N 1.0 . 3.3 25 25 A 21 TRP H A 2 TRP O 1.0 . 2.3 26 26 A 2 TRP O A 21 TRP N 1.0 . 3.3 27 27 B 33 CYS H A 3 CYS O 1.0 . 2.3 28 28 A 3 CYS O B 33 CYS N 1.0 . 3.3 29 29 B 34 VAL H B 49 ARG O 1.0 . 2.3 30 30 B 49 ARG O B 34 VAL N 1.0 . 3.3 31 31 B 35 TYR H A 5 TYR O 1.0 . 2.3 32 32 A 5 TYR O B 35 TYR N 1.0 . 3.3 33 33 B 36 ALA H B 47 TYR O 1.0 . 2.3 34 34 B 47 TYR O B 36 ALA N 1.0 . 3.3 35 35 B 37 TYR H A 7 TYR O 1.0 . 2.3 36 36 A 7 TYR O B 37 TYR N 1.0 . 3.3 37 37 B 38 VAL H B 45 VAL O 1.0 . 2.3 38 38 B 45 VAL O B 38 VAL N 1.0 . 3.3 39 39 B 40 ILE H B 43 VAL O 1.0 . 2.3 40 40 B 43 VAL O B 40 ILE N 1.0 . 3.3 41 41 B 43 VAL H B 40 ILE O 1.0 . 2.3 42 42 B 40 ILE O B 43 VAL N 1.0 . 3.3 43 43 B 45 VAL H B 38 VAL O 1.0 . 2.3 44 44 B 38 VAL O B 45 VAL N 1.0 . 3.3 45 45 B 47 TYR H B 36 ALA O 1.0 . 2.3 46 46 B 36 ALA O B 47 TYR N 1.0 . 3.3 47 47 B 49 ARG H B 34 VAL O 1.0 . 2.3 48 48 B 34 VAL O B 49 ARG N 1.0 . 3.3 49 49 B 51 TRP H B 32 TRP O 1.0 . 2.3 50 50 B 32 TRP O B 51 TRP N 1.0 . 3.3 stop_ save_ save_DYANA/DIANA_distance_constraints_6 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_6 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-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 3 CYS H B 31 ARG O 1.0 . 1.8 2 2 B 31 ARG O A 3 CYS N 1.0 . 2.7 3 3 A 4 VAL H A 19 ARG O 1.0 . 1.8 4 4 A 19 ARG O A 4 VAL N 1.0 . 2.7 5 5 A 5 TYR H B 33 CYS O 1.0 . 1.8 6 6 B 33 CYS O A 5 TYR N 1.0 . 2.7 7 7 A 6 ALA H A 17 TYR O 1.0 . 1.8 8 8 A 17 TYR O A 6 ALA N 1.0 . 2.7 9 9 A 7 TYR H B 35 TYR O 1.0 . 1.8 10 10 B 35 TYR O A 7 TYR N 1.0 . 2.7 11 11 A 8 VAL H A 15 VAL O 1.0 . 1.8 12 12 A 15 VAL O A 8 VAL N 1.0 . 2.7 13 13 A 9 ARG H B 37 TYR O 1.0 . 1.8 14 14 B 37 TYR O A 9 ARG N 1.0 . 2.7 15 15 A 10 ILE H A 13 VAL O 1.0 . 1.8 16 16 A 13 VAL O A 10 ILE N 1.0 . 2.7 17 17 A 13 VAL H A 10 ILE O 1.0 . 1.8 18 18 A 10 ILE O A 13 VAL N 1.0 . 2.7 19 19 A 15 VAL H A 8 VAL O 1.0 . 1.8 20 20 A 8 VAL O A 15 VAL N 1.0 . 2.7 21 21 A 17 TYR H A 6 ALA O 1.0 . 1.8 22 22 A 6 ALA O A 17 TYR N 1.0 . 2.7 23 23 A 19 ARG H A 4 VAL O 1.0 . 1.8 24 24 A 4 VAL O A 19 ARG N 1.0 . 2.7 25 25 A 21 TRP H A 2 TRP O 1.0 . 1.8 26 26 A 2 TRP O A 21 TRP N 1.0 . 2.7 27 27 B 33 CYS H A 3 CYS O 1.0 . 1.8 28 28 A 3 CYS O B 33 CYS N 1.0 . 2.7 29 29 B 34 VAL H B 49 ARG O 1.0 . 1.8 30 30 B 49 ARG O B 34 VAL N 1.0 . 2.7 31 31 B 35 TYR H A 5 TYR O 1.0 . 1.8 32 32 A 5 TYR O B 35 TYR N 1.0 . 2.7 33 33 B 36 ALA H B 47 TYR O 1.0 . 1.8 34 34 B 47 TYR O B 36 ALA N 1.0 . 2.7 35 35 B 37 TYR H A 7 TYR O 1.0 . 1.8 36 36 A 7 TYR O B 37 TYR N 1.0 . 2.7 37 37 B 38 VAL H B 45 VAL O 1.0 . 1.8 38 38 B 45 VAL O B 38 VAL N 1.0 . 2.7 39 39 B 40 ILE H B 43 VAL O 1.0 . 1.8 40 40 B 43 VAL O B 40 ILE N 1.0 . 2.7 41 41 B 43 VAL H B 40 ILE O 1.0 . 1.8 42 42 B 40 ILE O B 43 VAL N 1.0 . 2.7 43 43 B 45 VAL H B 38 VAL O 1.0 . 1.8 44 44 B 38 VAL O B 45 VAL N 1.0 . 2.7 45 45 B 47 TYR H B 36 ALA O 1.0 . 1.8 46 46 B 36 ALA O B 47 TYR N 1.0 . 2.7 47 47 B 49 ARG H B 34 VAL O 1.0 . 1.8 48 48 B 34 VAL O B 49 ARG N 1.0 . 2.7 49 49 B 51 TRP H B 32 TRP O 1.0 . 1.8 50 50 B 32 TRP O B 51 TRP N 1.0 . 2.7 stop_ save_ save_DYANA/DIANA_dihedral_8 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_8 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 1 ARG C A 2 TRP N A 2 TRP CA A 2 TRP C 1.0 -150.0 -90.0 PHI 2 2 A 2 TRP C A 3 CYS N A 3 CYS CA A 3 CYS C 1.0 -150.0 -90.0 PHI 3 3 A 3 CYS C A 4 VAL N A 4 VAL CA A 4 VAL C 1.0 -150.0 -90.0 PHI 4 4 A 4 VAL C A 5 TYR N A 5 TYR CA A 5 TYR C 1.0 -150.0 -90.0 PHI 5 5 A 5 TYR C A 6 ALA N A 6 ALA CA A 6 ALA C 1.0 -150.0 -90.0 PHI 6 6 A 6 ALA C A 7 TYR N A 7 TYR CA A 7 TYR C 1.0 -150.0 -90.0 PHI 7 7 A 7 TYR C A 8 VAL N A 8 VAL CA A 8 VAL C 1.0 -150.0 -90.0 PHI 8 8 A 8 VAL C A 9 ARG N A 9 ARG CA A 9 ARG C 1.0 -180.0 -150.0 PHI 9 9 A 9 ARG C A 10 ILE N A 10 ILE CA A 10 ILE C 1.0 -150.0 -90.0 PHI 10 10 A 10 ILE C A 11 ARG N A 11 ARG CA A 11 ARG C 1.0 40.0 80.0 PHI 11 11 B 40 ILE C B 41 ARG N B 41 ARG CA B 41 ARG C 1.0 40.0 80.0 PHI 12 12 A 12 GLY C A 13 VAL N A 13 VAL CA A 13 VAL C 1.0 -150.0 -90.0 PHI 13 13 A 13 VAL C A 14 LEU N A 14 LEU CA A 14 LEU C 1.0 -180.0 -70.0 PHI 14 14 A 13 VAL C A 14 LEU N A 14 LEU CA A 14 LEU C 1.0 -100.0 220.0 PHI 15 15 A 14 LEU C A 15 VAL N A 15 VAL CA A 15 VAL C 1.0 -150.0 -90.0 PHI 16 16 A 15 VAL C A 16 ARG N A 16 ARG CA A 16 ARG C 1.0 -150.0 -90.0 PHI 17 17 A 16 ARG C A 17 TYR N A 17 TYR CA A 17 TYR C 1.0 -150.0 -90.0 PHI 18 18 A 17 TYR C A 18 ARG N A 18 ARG CA A 18 ARG C 1.0 -150.0 -90.0 PHI 19 19 A 18 ARG C A 19 ARG N A 19 ARG CA A 19 ARG C 1.0 -180.0 -70.0 PHI 20 20 A 18 ARG C A 19 ARG N A 19 ARG CA A 19 ARG C 1.0 -100.0 220.0 PHI 21 21 A 19 ARG C A 20 CYS N A 20 CYS CA A 20 CYS C 1.0 -150.0 -90.0 PHI 22 22 A 20 CYS C A 21 TRP N A 21 TRP CA A 21 TRP C 1.0 -150.0 -90.0 PHI 23 23 B 31 ARG C B 32 TRP N B 32 TRP CA B 32 TRP C 1.0 -150.0 -90.0 PHI 24 24 B 32 TRP C B 33 CYS N B 33 CYS CA B 33 CYS C 1.0 -150.0 -90.0 PHI 25 25 B 33 CYS C B 34 VAL N B 34 VAL CA B 34 VAL C 1.0 -150.0 -90.0 PHI 26 26 B 34 VAL C B 35 TYR N B 35 TYR CA B 35 TYR C 1.0 -150.0 -90.0 PHI 27 27 B 35 TYR C B 36 ALA N B 36 ALA CA B 36 ALA C 1.0 -150.0 -90.0 PHI 28 28 B 36 ALA C B 37 TYR N B 37 TYR CA B 37 TYR C 1.0 -150.0 -90.0 PHI 29 29 B 37 TYR C B 38 VAL N B 38 VAL CA B 38 VAL C 1.0 -150.0 -90.0 PHI 30 30 B 38 VAL C B 39 ARG N B 39 ARG CA B 39 ARG C 1.0 -150.0 -90.0 PHI 31 31 B 39 ARG C B 40 ILE N B 40 ILE CA B 40 ILE C 1.0 -150.0 -90.0 PHI 32 32 B 42 GLY C B 43 VAL N B 43 VAL CA B 43 VAL C 1.0 -150.0 -90.0 PHI 33 33 B 43 VAL C B 44 LEU N B 44 LEU CA B 44 LEU C 1.0 -100.0 -70.0 PHI 34 34 B 44 LEU C B 45 VAL N B 45 VAL CA B 45 VAL C 1.0 -150.0 -90.0 PHI 35 35 B 45 VAL C B 46 ARG N B 46 ARG CA B 46 ARG C 1.0 -150.0 -90.0 PHI 36 36 B 46 ARG C B 47 TYR N B 47 TYR CA B 47 TYR C 1.0 -180.0 -70.0 PHI 37 37 B 46 ARG C B 47 TYR N B 47 TYR CA B 47 TYR C 1.0 -100.0 220.0 PHI 38 38 B 47 TYR C B 48 ARG N B 48 ARG CA B 48 ARG C 1.0 -150.0 -90.0 PHI 39 39 B 48 ARG C B 49 ARG N B 49 ARG CA B 49 ARG C 1.0 -180.0 -70.0 PHI 40 40 B 48 ARG C B 49 ARG N B 49 ARG CA B 49 ARG C 1.0 -100.0 220.0 PHI 41 41 B 49 ARG C B 50 CYS N B 50 CYS CA B 50 CYS C 1.0 -150.0 -90.0 PHI 42 42 B 50 CYS C B 51 TRP N B 51 TRP CA B 51 TRP C 1.0 -150.0 -90.0 PHI 43 43 A 3 CYS N A 3 CYS CA A 3 CYS CB A 3 CYS SG 1.0 -90.0 -30.0 CHI1 44 44 B 33 CYS N B 33 CYS CA B 33 CYS CB B 33 CYS SG 1.0 -90.0 -30.0 CHI1 45 45 A 4 VAL N A 4 VAL CA A 4 VAL CB A 4 VAL CG1 1.0 -90.0 -30.0 CHI1 46 46 B 34 VAL N B 34 VAL CA B 34 VAL CB B 34 VAL CG1 1.0 -90.0 -30.0 CHI1 47 47 A 5 TYR N A 5 TYR CA A 5 TYR CB A 5 TYR CG 1.0 -90.0 -30.0 CHI1 48 48 B 35 TYR N B 35 TYR CA B 35 TYR CB B 35 TYR CG 1.0 150.0 210.0 CHI1 49 49 A 7 TYR N A 7 TYR CA A 7 TYR CB A 7 TYR CG 1.0 150.0 210.0 CHI1 50 50 B 37 TYR N B 37 TYR CA B 37 TYR CB B 37 TYR CG 1.0 150.0 210.0 CHI1 51 51 A 8 VAL N A 8 VAL CA A 8 VAL CB A 8 VAL CG1 1.0 150.0 210.0 CHI1 52 52 B 38 VAL N B 38 VAL CA B 38 VAL CB B 38 VAL CG1 1.0 150.0 210.0 CHI1 53 53 A 9 ARG N A 9 ARG CA A 9 ARG CB A 9 ARG CG 1.0 150.0 210.0 CHI1 54 54 B 39 ARG N B 39 ARG CA B 39 ARG CB B 39 ARG CG 1.0 150.0 210.0 CHI1 55 55 A 10 ILE N A 10 ILE CA A 10 ILE CB A 10 ILE CG1 1.0 -90.0 -30.0 CHI1 56 56 A 10 ILE CA A 10 ILE CB A 10 ILE CG1 A 10 ILE CD1 1.0 150.0 210.0 CHI21 57 57 B 40 ILE N B 40 ILE CA B 40 ILE CB B 40 ILE CG1 1.0 -90.0 -30.0 CHI1 58 58 A 11 ARG N A 11 ARG CA A 11 ARG CB A 11 ARG CG 1.0 -90.0 -30.0 CHI1 59 59 B 41 ARG N B 41 ARG CA B 41 ARG CB B 41 ARG CG 1.0 -90.0 -30.0 CHI1 60 60 A 13 VAL N A 13 VAL CA A 13 VAL CB A 13 VAL CG1 1.0 150.0 210.0 CHI1 61 61 B 43 VAL N B 43 VAL CA B 43 VAL CB B 43 VAL CG1 1.0 150.0 210.0 CHI1 62 62 A 14 LEU N A 14 LEU CA A 14 LEU CB A 14 LEU CG 1.0 150.0 210.0 CHI1 63 63 B 44 LEU N B 44 LEU CA B 44 LEU CB B 44 LEU CG 1.0 150.0 210.0 CHI1 64 64 A 15 VAL N A 15 VAL CA A 15 VAL CB A 15 VAL CG1 1.0 150.0 210.0 CHI1 65 65 B 45 VAL N B 45 VAL CA B 45 VAL CB B 45 VAL CG1 1.0 150.0 210.0 CHI1 66 66 A 17 TYR N A 17 TYR CA A 17 TYR CB A 17 TYR CG 1.0 150.0 210.0 CHI1 67 67 B 47 TYR N B 47 TYR CA B 47 TYR CB B 47 TYR CG 1.0 150.0 210.0 CHI1 68 68 A 19 ARG N A 19 ARG CA A 19 ARG CB A 19 ARG CG 1.0 150.0 210.0 CHI1 69 69 B 49 ARG N B 49 ARG CA B 49 ARG CB B 49 ARG CG 1.0 150.0 210.0 CHI1 70 70 A 20 CYS N A 20 CYS CA A 20 CYS CB A 20 CYS SG 1.0 -90.0 -30.0 CHI1 71 71 B 50 CYS N B 50 CYS CA B 50 CYS CB B 50 CYS SG 1.0 -90.0 -30.0 CHI1 stop_ save_