data_nef_c19205_2m7t save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 1W7Z PDB 2IT7 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 2 CYS SG 1 24 CYS SG 1 14 CYS SG 1 26 CYS SG 1 20 CYS SG 1 32 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 GLY start . false 2 A 2 CYS middle -HG . 3 A 3 PRO middle . false 4 A 4 GLN middle . . 5 A 5 GLY middle . false 6 A 6 ARG middle . . 7 A 7 GLY middle . false 8 A 8 ASP middle . . 9 A 9 TRP middle . . 10 A 10 ALA middle . . 11 A 11 PRO middle . false 12 A 12 THR middle . . 13 A 13 SER middle . . 14 A 14 CYS middle -HG . 15 A 15 SER middle . . 16 A 16 GLN middle . . 17 A 17 ASP middle . . 18 A 18 SER middle . . 19 A 19 ASP middle . . 20 A 20 CYS middle -HG . 21 A 21 LEU middle . . 22 A 22 ALA middle . . 23 A 23 GLY middle . false 24 A 24 CYS middle -HG . 25 A 25 VAL middle . . 26 A 26 CYS middle -HG . 27 A 27 GLY middle . false 28 A 28 PRO middle . false 29 A 29 ASN middle . . 30 A 30 GLY middle . false 31 A 31 PHE middle . . 32 A 32 CYS middle -HG . 33 A 33 GLY end . false stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 GLY HAy H 1 3.848 0.000 A 1 GLY HAx H 1 3.769 0.000 A 1 GLY C C 13 169.151 0.000 A 1 GLY CA C 13 43.182 0.020 A 2 CYS H H 1 8.866 0.018 A 2 CYS HA H 1 4.873 0.002 A 2 CYS HB2 H 1 2.934 0.000 A 2 CYS HB3 H 1 3.165 0.000 A 2 CYS CA C 13 53.145 0.000 A 2 CYS CB C 13 41.921 0.000 A 2 CYS N N 15 120.511 0.018 A 3 PRO HA H 1 4.298 0.002 A 3 PRO HBy H 1 2.100 0.000 A 3 PRO HBx H 1 1.634 0.000 A 3 PRO HDy H 1 3.969 0.000 A 3 PRO HDx H 1 3.642 0.000 A 3 PRO HG2 H 1 1.773 0.000 A 3 PRO HG3 H 1 1.927 0.000 A 3 PRO C C 13 176.294 0.000 A 3 PRO CA C 13 63.774 0.072 A 3 PRO CB C 13 31.891 0.050 A 3 PRO CD C 13 51.374 0.036 A 3 PRO CG C 13 27.252 0.004 A 4 GLN H H 1 7.648 0.012 A 4 GLN HA H 1 3.894 0.008 A 4 GLN HB2 H 1 1.811 0.000 A 4 GLN HB3 H 1 1.767 0.000 A 4 GLN HE2y H 1 7.292 0.000 A 4 GLN HE2x H 1 6.987 0.000 A 4 GLN HG2 H 1 2.045 0.000 A 4 GLN HG3 H 1 2.110 0.000 A 4 GLN C C 13 176.143 0.000 A 4 GLN CA C 13 56.173 0.030 A 4 GLN CB C 13 29.568 0.097 A 4 GLN CG C 13 34.600 0.054 A 4 GLN N N 15 118.141 0.007 A 4 GLN NE2 N 15 112.500 0.000 A 5 GLY H H 1 7.759 0.013 A 5 GLY HAy H 1 3.928 0.003 A 5 GLY HAx H 1 3.742 0.007 A 5 GLY C C 13 173.733 0.000 A 5 GLY CA C 13 45.257 0.029 A 5 GLY N N 15 108.656 0.018 A 6 ARG H H 1 7.865 0.014 A 6 ARG HA H 1 4.389 0.005 A 6 ARG HBy H 1 1.860 0.000 A 6 ARG HBx H 1 1.668 0.000 A 6 ARG HDy H 1 3.089 0.000 A 6 ARG HDx H 1 3.014 0.000 A 6 ARG HG2 H 1 1.534 0.000 A 6 ARG HG3 H 1 1.534 0.000 A 6 ARG C C 13 176.780 0.000 A 6 ARG CA C 13 55.538 0.037 A 6 ARG CB C 13 31.543 0.014 A 6 ARG CD C 13 43.267 0.000 A 6 ARG CG C 13 26.869 0.010 A 6 ARG N N 15 119.446 0.006 A 7 GLY H H 1 8.529 0.014 A 7 GLY HA2 H 1 3.802 0.000 A 7 GLY HA3 H 1 3.802 0.000 A 7 GLY C C 13 174.275 0.000 A 7 GLY CA C 13 46.020 0.007 A 7 GLY N N 15 109.318 0.009 A 8 ASP H H 1 8.414 0.016 A 8 ASP HA H 1 4.555 0.002 A 8 ASP HB2 H 1 2.598 0.000 A 8 ASP HB3 H 1 2.598 0.000 A 8 ASP C C 13 175.562 0.000 A 8 ASP CA C 13 53.748 0.017 A 8 ASP CB C 13 40.059 0.012 A 8 ASP N N 15 121.036 0.012 A 9 TRP H H 1 7.814 0.014 A 9 TRP HA H 1 4.493 0.001 A 9 TRP HB2 H 1 3.216 0.009 A 9 TRP HB3 H 1 3.216 0.009 A 9 TRP HD1 H 1 7.280 0.000 A 9 TRP HE1 H 1 10.074 0.000 A 9 TRP HE3 H 1 7.570 0.000 A 9 TRP HH2 H 1 7.180 0.000 A 9 TRP HZ2 H 1 7.440 0.000 A 9 TRP HZ3 H 1 7.087 0.000 A 9 TRP C C 13 175.498 0.000 A 9 TRP CA C 13 57.094 0.003 A 9 TRP CB C 13 29.809 0.016 A 9 TRP CD1 C 13 124.900 0.000 A 9 TRP CE3 C 13 118.900 0.000 A 9 TRP CH2 C 13 122.500 0.000 A 9 TRP CZ2 C 13 112.400 0.000 A 9 TRP CZ3 C 13 119.800 0.000 A 9 TRP N N 15 121.704 0.016 A 9 TRP NE1 N 15 129.180 0.000 A 10 ALA H H 1 8.163 0.014 A 10 ALA HA H 1 4.413 0.000 A 10 ALA HB% H 1 1.222 0.000 A 10 ALA CA C 13 50.270 0.025 A 10 ALA CB C 13 18.115 0.052 A 10 ALA N N 15 128.588 0.022 A 11 PRO HA H 1 4.331 0.002 A 11 PRO HB2 H 1 1.646 0.000 A 11 PRO HB3 H 1 2.043 0.000 A 11 PRO HDy H 1 3.564 0.008 A 11 PRO HDx H 1 3.416 0.007 A 11 PRO HG2 H 1 1.710 0.000 A 11 PRO HG3 H 1 1.710 0.000 A 11 PRO C C 13 176.753 0.000 A 11 PRO CA C 13 62.996 0.044 A 11 PRO CB C 13 32.445 0.046 A 11 PRO CD C 13 50.321 0.054 A 11 PRO CG C 13 27.237 0.000 A 12 THR H H 1 9.006 0.013 A 12 THR HA H 1 4.512 0.003 A 12 THR HB H 1 3.909 0.011 A 12 THR HG2% H 1 1.333 0.000 A 12 THR C C 13 173.572 0.000 A 12 THR CA C 13 62.099 0.037 A 12 THR CB C 13 71.060 0.032 A 12 THR CG2 C 13 21.903 0.000 A 12 THR N N 15 119.798 0.009 A 13 SER H H 1 8.805 0.015 A 13 SER HA H 1 4.539 0.000 A 13 SER HBy H 1 3.744 0.000 A 13 SER HBx H 1 3.695 0.000 A 13 SER C C 13 172.953 0.000 A 13 SER CA C 13 58.421 0.055 A 13 SER CB C 13 63.844 0.069 A 13 SER N N 15 123.494 0.017 A 14 CYS H H 1 8.265 0.016 A 14 CYS HA H 1 4.940 0.000 A 14 CYS HB2 H 1 3.216 0.009 A 14 CYS HB3 H 1 3.083 0.010 A 14 CYS C C 13 172.746 0.000 A 14 CYS CA C 13 53.806 0.022 A 14 CYS CB C 13 47.605 0.038 A 14 CYS N N 15 116.548 0.007 A 15 SER H H 1 9.497 0.017 A 15 SER HA H 1 4.531 0.000 A 15 SER HBy H 1 3.848 0.000 A 15 SER HBx H 1 3.800 0.000 A 15 SER C C 13 173.205 0.000 A 15 SER CA C 13 58.826 0.002 A 15 SER CB C 13 65.097 0.094 A 15 SER N N 15 113.958 0.013 A 16 GLN H H 1 8.049 0.015 A 16 GLN HA H 1 4.744 0.002 A 16 GLN HB2 H 1 2.006 0.028 A 16 GLN HB3 H 1 2.237 0.028 A 16 GLN HE2y H 1 7.658 0.000 A 16 GLN HE2x H 1 6.730 0.000 A 16 GLN HG2 H 1 2.196 0.008 A 16 GLN HG3 H 1 2.196 0.008 A 16 GLN C C 13 176.335 0.000 A 16 GLN CA C 13 53.941 0.028 A 16 GLN CB C 13 31.323 0.001 A 16 GLN CG C 13 31.897 0.019 A 16 GLN N N 15 118.516 0.015 A 16 GLN NE2 N 15 112.800 0.000 A 17 ASP H H 1 9.208 0.016 A 17 ASP HA H 1 4.109 0.000 A 17 ASP HB2 H 1 2.671 0.000 A 17 ASP HB3 H 1 2.738 0.000 A 17 ASP C C 13 178.349 0.000 A 17 ASP CA C 13 58.947 0.022 A 17 ASP CB C 13 39.523 0.002 A 17 ASP N N 15 124.190 0.016 A 18 SER H H 1 8.371 0.015 A 18 SER HA H 1 4.228 0.005 A 18 SER HBy H 1 4.090 0.009 A 18 SER HBx H 1 3.793 0.009 A 18 SER C C 13 175.037 0.000 A 18 SER CA C 13 60.093 0.060 A 18 SER CB C 13 62.134 0.043 A 18 SER N N 15 112.259 0.003 A 19 ASP H H 1 7.697 0.013 A 19 ASP HA H 1 4.591 0.004 A 19 ASP HB2 H 1 2.974 0.000 A 19 ASP HB3 H 1 2.974 0.000 A 19 ASP C C 13 175.958 0.000 A 19 ASP CA C 13 55.885 0.036 A 19 ASP CB C 13 42.022 0.015 A 19 ASP N N 15 120.750 0.008 A 20 CYS H H 1 7.947 0.013 A 20 CYS HA H 1 4.977 0.000 A 20 CYS HB2 H 1 2.719 0.000 A 20 CYS HB3 H 1 3.169 0.000 A 20 CYS C C 13 174.152 0.000 A 20 CYS CA C 13 51.981 0.030 A 20 CYS CB C 13 39.974 0.011 A 20 CYS N N 15 118.125 0.008 A 21 LEU H H 1 8.522 0.015 A 21 LEU HA H 1 4.167 0.006 A 21 LEU HB2 H 1 1.570 0.000 A 21 LEU HB3 H 1 1.470 0.000 A 21 LEU HDx% H 1 0.879 0.024 A 21 LEU HDy% H 1 0.863 0.024 A 21 LEU HG H 1 1.730 0.000 A 21 LEU C C 13 176.589 0.000 A 21 LEU CA C 13 54.886 0.039 A 21 LEU CB C 13 42.923 0.013 A 21 LEU CD1 C 13 25.465 0.030 A 21 LEU CD2 C 13 22.782 0.003 A 21 LEU CG C 13 26.824 0.039 A 21 LEU N N 15 121.658 0.011 A 22 ALA H H 1 8.104 0.014 A 22 ALA HA H 1 4.072 0.005 A 22 ALA HB% H 1 1.349 0.020 A 22 ALA C C 13 178.382 0.000 A 22 ALA CA C 13 53.965 0.033 A 22 ALA CB C 13 17.944 0.070 A 22 ALA N N 15 121.907 0.007 A 23 GLY H H 1 8.644 0.015 A 23 GLY HAy H 1 4.429 0.003 A 23 GLY HAx H 1 3.533 0.004 A 23 GLY C C 13 174.553 0.000 A 23 GLY CA C 13 44.621 0.021 A 23 GLY N N 15 110.790 0.032 A 24 CYS H H 1 8.491 0.015 A 24 CYS HA H 1 4.850 0.000 A 24 CYS HB2 H 1 3.581 0.000 A 24 CYS HB3 H 1 3.061 0.017 A 24 CYS C C 13 172.768 0.000 A 24 CYS CA C 13 54.902 0.000 A 24 CYS CB C 13 46.168 0.022 A 24 CYS N N 15 119.431 0.006 A 25 VAL H H 1 9.324 0.018 A 25 VAL HA H 1 4.367 0.005 A 25 VAL HB H 1 2.105 0.000 A 25 VAL HGx% H 1 0.771 0.000 A 25 VAL HGy% H 1 0.726 0.000 A 25 VAL C C 13 175.161 0.000 A 25 VAL CA C 13 59.327 0.039 A 25 VAL CB C 13 35.035 0.013 A 25 VAL CG1 C 13 21.585 0.001 A 25 VAL CG2 C 13 18.605 0.000 A 25 VAL N N 15 115.469 0.031 A 26 CYS H H 1 9.346 0.015 A 26 CYS HA H 1 4.810 0.001 A 26 CYS HB2 H 1 2.411 0.000 A 26 CYS HB3 H 1 2.826 0.000 A 26 CYS C C 13 174.891 0.000 A 26 CYS CA C 13 55.199 0.017 A 26 CYS CB C 13 38.260 0.012 A 26 CYS N N 15 123.350 0.009 A 27 GLY H H 1 8.259 0.017 A 27 GLY HA2 H 1 4.350 0.000 A 27 GLY HA3 H 1 4.129 0.000 A 27 GLY CA C 13 45.458 0.020 A 27 GLY N N 15 117.742 0.013 A 28 PRO HA H 1 4.370 0.006 A 28 PRO HBy H 1 2.330 0.000 A 28 PRO HBx H 1 1.976 0.000 A 28 PRO HDy H 1 3.770 0.000 A 28 PRO HDx H 1 3.677 0.000 A 28 PRO HG2 H 1 2.004 0.000 A 28 PRO HG3 H 1 2.052 0.000 A 28 PRO C C 13 176.720 0.000 A 28 PRO CA C 13 64.486 0.059 A 28 PRO CB C 13 31.553 0.061 A 28 PRO CD C 13 49.907 0.051 A 28 PRO CG C 13 27.161 0.020 A 29 ASN H H 1 8.061 0.013 A 29 ASN HA H 1 4.649 0.005 A 29 ASN HBy H 1 3.131 0.013 A 29 ASN HBx H 1 2.970 0.018 A 29 ASN HD21 H 1 7.729 0.000 A 29 ASN HD22 H 1 7.035 0.000 A 29 ASN C C 13 175.490 0.000 A 29 ASN CA C 13 52.335 0.001 A 29 ASN CB C 13 37.566 0.030 A 29 ASN N N 15 114.300 0.007 A 29 ASN ND2 N 15 111.525 0.000 A 30 GLY H H 1 8.294 0.015 A 30 GLY HAy H 1 3.796 0.000 A 30 GLY HAx H 1 3.572 0.008 A 30 GLY C C 13 173.758 0.000 A 30 GLY CA C 13 46.312 0.022 A 30 GLY N N 15 107.086 0.010 A 31 PHE H H 1 7.167 0.013 A 31 PHE HA H 1 5.350 0.002 A 31 PHE HB2 H 1 3.038 0.000 A 31 PHE HB3 H 1 2.612 0.000 A 31 PHE HD1 H 1 6.890 0.000 A 31 PHE HD2 H 1 6.890 0.000 A 31 PHE HE1 H 1 7.228 0.000 A 31 PHE HE2 H 1 7.228 0.000 A 31 PHE HZ H 1 7.299 0.000 A 31 PHE C C 13 176.773 0.000 A 31 PHE CA C 13 56.410 0.020 A 31 PHE CB C 13 42.474 0.013 A 31 PHE CD1 C 13 130.000 0.000 A 31 PHE CD2 C 13 130.000 0.000 A 31 PHE CE1 C 13 128.900 0.000 A 31 PHE CE2 C 13 127.600 0.000 A 31 PHE CZ C 13 128.583 0.000 A 31 PHE N N 15 115.129 0.015 A 32 CYS H H 1 8.708 0.017 A 32 CYS HA H 1 5.099 0.000 A 32 CYS HB2 H 1 2.853 0.000 A 32 CYS HB3 H 1 2.853 0.000 A 32 CYS C C 13 175.875 0.000 A 32 CYS CA C 13 55.430 0.069 A 32 CYS CB C 13 42.087 0.008 A 32 CYS N N 15 123.123 0.007 A 33 GLY H H 1 9.172 0.017 A 33 GLY HAy H 1 3.999 0.000 A 33 GLY HAx H 1 3.823 0.000 A 33 GLY CA C 13 47.893 0.004 A 33 GLY N N 15 117.147 0.013 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 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 29 ASN H A 30 GLY H 1.0 . 3.18 2 2 A 30 GLY H A 31 PHE HB2 1.0 . 4.41 3 3 A 30 GLY H A 28 PRO HG2 1.0 . 5.40 4 4 A 30 GLY H A 31 PHE HB3 1.0 . 5.50 5 5 A 4 GLN HA A 5 GLY H 1.0 . 3.17 6 6 A 5 GLY H A 9 TRP HB2 1.0 . 4.41 7 6 A 5 GLY H A 9 TRP HB3 1.0 . 4.41 8 7 A 5 GLY H A 4 GLN HG2 1.0 . 5.02 9 8 A 5 GLY H A 4 GLN HB2 1.0 . 4.80 10 9 A 5 GLY H A 4 GLN HB3 1.0 . 5.27 11 10 A 5 GLY H A 6 ARG HG2 1.0 . 4.92 12 10 A 5 GLY H A 6 ARG HG3 1.0 . 4.92 13 11 A 7 GLY H A 7 GLY HA2 1.0 . 2.81 14 11 A 7 GLY H A 7 GLY HA3 1.0 . 2.81 15 12 A 7 GLY H A 6 ARG HBy 1.0 . 3.97 16 13 A 7 GLY H A 6 ARG HBx 1.0 . 3.97 17 14 A 7 GLY H A 6 ARG HG2 1.0 . 4.16 18 14 A 6 ARG HG3 A 7 GLY H 1.0 . 4.16 19 15 A 7 GLY H A 6 ARG H 1.0 . 4.40 20 16 A 22 ALA HB% A 23 GLY H 1.0 . 3.45 21 17 A 23 GLY H A 22 ALA H 1.0 . 4.77 22 18 A 23 GLY H A 24 CYS H 1.0 . 3.27 23 19 A 31 PHE HB3 A 29 ASN HD22 1.0 . 4.58 24 20 A 16 GLN HA A 18 SER H 1.0 . 4.82 25 21 A 18 SER H A 18 SER HBx 1.0 . 3.76 26 22 A 18 SER H A 17 ASP HB2 1.0 . 3.57 27 23 A 18 SER H A 16 GLN HG2 1.0 . 3.21 28 23 A 18 SER H A 16 GLN HG3 1.0 . 3.21 29 24 A 18 SER H A 16 GLN HB2 1.0 . 3.77 30 25 A 18 SER H A 19 ASP HB2 1.0 . 4.84 31 25 A 18 SER H A 19 ASP HB3 1.0 . 4.84 32 26 A 14 CYS HA A 15 SER H 1.0 . 3.34 33 27 A 16 GLN HA A 15 SER H 1.0 . 4.67 34 28 A 15 SER H A 14 CYS HB2 1.0 . 3.53 35 29 A 15 SER H A 19 ASP HB2 1.0 . 3.40 36 29 A 19 ASP HB3 A 15 SER H 1.0 . 3.40 37 30 A 15 SER H A 16 GLN HG2 1.0 . 4.11 38 30 A 16 GLN HG3 A 15 SER H 1.0 . 4.11 39 31 A 29 ASN H A 29 ASN HD21 1.0 . 4.74 40 32 A 29 ASN H A 31 PHE H 1.0 . 4.23 41 33 A 29 ASN H A 28 PRO HG2 1.0 . 3.47 42 34 A 29 ASN H A 29 ASN HBx 1.0 . 3.64 43 35 A 29 ASN H A 29 ASN HBy 1.0 . 3.64 44 36 A 29 ASN H A 28 PRO HDy 1.0 . 4.46 45 37 A 29 ASN H A 27 GLY HA3 1.0 . 4.09 46 38 A 25 VAL H A 32 CYS HA 1.0 . 4.99 47 39 A 25 VAL H A 24 CYS HA 1.0 . 3.01 48 40 A 25 VAL H A 33 GLY HAy 1.0 . 5.03 49 41 A 25 VAL H A 33 GLY HAx 1.0 . 5.03 50 42 A 25 VAL H A 24 CYS HB2 1.0 . 3.97 51 43 A 25 VAL H A 24 CYS HB3 1.0 . 3.45 52 44 A 25 VAL H A 25 VAL HB 1.0 . 4.04 53 45 A 14 CYS H A 31 PHE HA 1.0 . 3.59 54 46 A 14 CYS H A 13 SER HA 1.0 . 2.76 55 47 A 14 CYS H A 14 CYS HB3 1.0 . 3.89 56 48 A 20 CYS H A 20 CYS HB3 1.0 . 3.83 57 49 A 20 CYS H A 19 ASP HB2 1.0 . 3.55 58 49 A 19 ASP HB3 A 20 CYS H 1.0 . 3.55 59 50 A 4 GLN HB2 A 4 GLN H 1.0 . 3.05 60 51 A 4 GLN HG2 A 4 GLN H 1.0 . 3.60 61 52 A 4 GLN H A 3 PRO HDx 1.0 . 5.25 62 53 A 15 SER H A 16 GLN H 1.0 . 2.70 63 54 A 16 GLN H A 19 ASP H 1.0 . 3.93 64 55 A 14 CYS HA A 16 GLN H 1.0 . 4.37 65 56 A 14 CYS HB2 A 16 GLN H 1.0 . 3.40 66 57 A 16 GLN H A 19 ASP HB2 1.0 . 3.30 67 57 A 19 ASP HB3 A 16 GLN H 1.0 . 3.30 68 58 A 16 GLN H A 26 CYS HB3 1.0 . 4.50 69 59 A 16 GLN H A 26 CYS HB2 1.0 . 4.41 70 60 A 16 GLN H A 16 GLN HG2 1.0 . 3.20 71 60 A 16 GLN HG3 A 16 GLN H 1.0 . 3.20 72 61 A 16 GLN HB2 A 16 GLN H 1.0 . 4.05 73 62 A 25 VAL HGy% A 33 GLY H 1.0 . 3.98 74 63 A 33 GLY H A 32 CYS HB2 1.0 . 3.45 75 63 A 33 GLY H A 32 CYS HB3 1.0 . 3.45 76 64 A 24 CYS HB3 A 33 GLY H 1.0 . 3.71 77 65 A 33 GLY H A 25 VAL HA 1.0 . 4.82 78 66 A 33 GLY H A 26 CYS HA 1.0 . 3.85 79 67 A 32 CYS HA A 33 GLY H 1.0 . 2.89 80 68 A 33 GLY H A 27 GLY H 1.0 . 4.26 81 69 A 24 CYS H A 22 ALA HA 1.0 . 3.97 82 70 A 24 CYS H A 24 CYS HB2 1.0 . 3.13 83 71 A 24 CYS H A 24 CYS HB3 1.0 . 3.90 84 72 A 24 CYS H A 20 CYS HB2 1.0 . 5.10 85 73 A 22 ALA HB% A 24 CYS H 1.0 . 4.54 86 74 A 24 CYS H A 21 LEU HB2 1.0 . 4.91 87 75 A 24 CYS H A 25 VAL H 1.0 . 4.80 88 76 A 6 ARG H A 9 TRP HB2 1.0 . 4.19 89 76 A 9 TRP HB3 A 6 ARG H 1.0 . 4.19 90 77 A 6 ARG H A 6 ARG HBy 1.0 . 3.77 91 78 A 6 ARG H A 6 ARG HBx 1.0 . 3.77 92 79 A 6 ARG H A 6 ARG HG2 1.0 . 3.48 93 79 A 6 ARG HG3 A 6 ARG H 1.0 . 3.48 94 80 A 31 PHE HB2 A 12 THR H 1.0 . 5.50 95 81 A 12 THR H A 32 CYS HB2 1.0 . 4.11 96 81 A 32 CYS HB3 A 12 THR H 1.0 . 4.11 97 82 A 12 THR H A 11 PRO HB3 1.0 . 3.88 98 83 A 12 THR H A 11 PRO HB2 1.0 . 3.90 99 84 A 12 THR H A 12 THR HG2% 1.0 . 4.06 100 85 A 19 ASP H A 19 ASP HB2 1.0 . 2.82 101 85 A 19 ASP HB3 A 19 ASP H 1.0 . 2.82 102 86 A 19 ASP H A 17 ASP HB3 1.0 . 5.50 103 87 A 19 ASP H A 20 CYS HB2 1.0 . 5.50 104 88 A 19 ASP H A 16 GLN HG2 1.0 . 3.49 105 88 A 16 GLN HG3 A 19 ASP H 1.0 . 3.49 106 89 A 16 GLN HB2 A 19 ASP H 1.0 . 4.27 107 90 A 19 ASP H A 26 CYS HB2 1.0 . 5.09 108 91 A 19 ASP H A 20 CYS HA 1.0 . 5.46 109 92 A 18 SER H A 19 ASP H 1.0 . 3.43 110 93 A 8 ASP H A 7 GLY HA2 1.0 . 2.92 111 93 A 7 GLY HA3 A 8 ASP H 1.0 . 2.92 112 94 A 8 ASP H A 9 TRP HB2 1.0 . 4.59 113 94 A 9 TRP HB3 A 8 ASP H 1.0 . 4.59 114 95 A 8 ASP H A 8 ASP HB2 1.0 . 3.17 115 95 A 8 ASP H A 8 ASP HB3 1.0 . 3.17 116 96 A 8 ASP H A 6 ARG HG2 1.0 . 5.50 117 96 A 6 ARG HG3 A 8 ASP H 1.0 . 5.50 118 97 A 8 ASP H A 9 TRP H 1.0 . 3.32 119 98 A 20 CYS HA A 21 LEU H 1.0 . 3.28 120 99 A 20 CYS H A 21 LEU H 1.0 . 4.58 121 100 A 22 ALA H A 21 LEU H 1.0 . 4.62 122 101 A 21 LEU H A 21 LEU HG 1.0 . 3.17 123 102 A 21 LEU HB2 A 21 LEU H 1.0 . 3.10 124 103 A 21 LEU H A 21 LEU HDx% 1.0 . 4.26 125 104 A 31 PHE HB3 A 32 CYS H 1.0 . 3.65 126 105 A 32 CYS H A 32 CYS HB2 1.0 . 2.86 127 105 A 32 CYS HB3 A 32 CYS H 1.0 . 2.86 128 106 A 31 PHE HB2 A 32 CYS H 1.0 . 4.10 129 107 A 32 CYS H A 11 PRO HG2 1.0 . 4.79 130 107 A 32 CYS H A 11 PRO HG3 1.0 . 4.79 131 108 A 12 THR HG2% A 32 CYS H 1.0 . 4.59 132 109 A 32 CYS H A 12 THR HB 1.0 . 3.93 133 110 A 13 SER HA A 32 CYS H 1.0 . 3.99 134 111 A 26 CYS HA A 32 CYS H 1.0 . 4.72 135 112 A 31 PHE HA A 32 CYS H 1.0 . 2.80 136 113 A 32 CYS H A 31 PHE HD% 1.0 . 4.47 137 114 A 31 PHE H A 32 CYS H 1.0 . 4.52 138 115 A 14 CYS H A 32 CYS H 1.0 . 4.44 139 116 A 12 THR HA A 13 SER H 1.0 . 2.58 140 117 A 12 THR HG2% A 13 SER H 1.0 . 3.42 141 118 A 25 VAL HA A 26 CYS H 1.0 . 2.97 142 119 A 26 CYS H A 17 ASP HA 1.0 . 3.41 143 120 A 26 CYS HB3 A 26 CYS H 1.0 . 3.27 144 121 A 26 CYS HB2 A 26 CYS H 1.0 . 3.41 145 122 A 25 VAL HB A 26 CYS H 1.0 . 3.11 146 123 A 26 CYS H A 25 VAL HGx% 1.0 . 3.96 147 124 A 25 VAL HGy% A 26 CYS H 1.0 . 4.23 148 125 A 27 GLY H A 26 CYS H 1.0 . 4.69 149 126 A 18 SER H A 17 ASP H 1.0 . 3.59 150 127 A 16 GLN HA A 17 ASP H 1.0 . 3.03 151 128 A 17 ASP HB2 A 17 ASP H 1.0 . 3.21 152 129 A 26 CYS HB2 A 17 ASP H 1.0 . 4.47 153 130 A 17 ASP H A 16 GLN HB3 1.0 . 3.90 154 131 A 17 ASP H A 16 GLN HG2 1.0 . 4.08 155 131 A 16 GLN HG3 A 17 ASP H 1.0 . 4.08 156 132 A 16 GLN HB2 A 17 ASP H 1.0 . 3.29 157 133 A 9 TRP HA A 10 ALA H 1.0 . 2.73 158 134 A 10 ALA H A 10 ALA HB% 1.0 . 2.95 159 135 A 10 ALA H A 9 TRP HE3 1.0 . 5.50 160 136 A 9 TRP H A 10 ALA H 1.0 . 4.09 161 137 A 30 GLY H A 31 PHE H 1.0 . 2.96 162 138 A 31 PHE HB2 A 31 PHE H 1.0 . 3.60 163 139 A 31 PHE H A 14 CYS H 1.0 . 4.88 164 140 A 31 PHE H A 27 GLY H 1.0 . 4.30 165 141 A 32 CYS HA A 27 GLY H 1.0 . 3.74 166 142 A 26 CYS HA A 27 GLY H 1.0 . 3.12 167 143 A 26 CYS HB3 A 27 GLY H 1.0 . 4.24 168 144 A 26 CYS HB2 A 27 GLY H 1.0 . 4.83 169 145 A 25 VAL HGy% A 27 GLY H 1.0 . 4.51 170 146 A 20 CYS H A 19 ASP H 1.0 . 3.07 171 147 A 22 ALA H A 21 LEU HA 1.0 . 2.68 172 148 A 22 ALA H A 21 LEU HDy% 1.0 . 3.45 173 149 A 22 ALA HB% A 22 ALA H 1.0 . 2.82 174 150 A 22 ALA H A 21 LEU HB3 1.0 . 3.18 175 151 A 22 ALA H A 21 LEU HG 1.0 . 4.61 176 152 A 9 TRP H A 8 ASP HA 1.0 . 3.35 177 153 A 9 TRP H A 7 GLY HA2 1.0 . 4.12 178 153 A 7 GLY HA3 A 9 TRP H 1.0 . 4.12 179 154 A 9 TRP H A 9 TRP HB2 1.0 . 2.88 180 154 A 9 TRP HB3 A 9 TRP H 1.0 . 2.88 181 155 A 9 TRP H A 8 ASP HB2 1.0 . 3.86 182 155 A 8 ASP HB3 A 9 TRP H 1.0 . 3.86 183 156 A 5 GLY H A 3 PRO HA 1.0 . 4.88 184 157 A 10 ALA H A 8 ASP HB2 1.0 . 5.45 185 157 A 8 ASP HB3 A 10 ALA H 1.0 . 5.45 186 158 A 13 SER H A 31 PHE HZ 1.0 . 5.37 187 159 A 31 PHE HD% A 13 SER H 1.0 . 5.08 188 160 A 14 CYS H A 13 SER H 1.0 . 4.56 189 161 A 15 SER H A 14 CYS H 1.0 . 4.79 190 162 A 16 GLN HB2 A 15 SER H 1.0 . 5.50 191 163 A 15 SER H A 26 CYS HB2 1.0 . 4.94 192 164 A 16 GLN H A 17 ASP H 1.0 . 4.64 193 165 A 16 GLN H A 17 ASP HA 1.0 . 5.07 194 166 A 19 ASP H A 17 ASP H 1.0 . 4.89 195 167 A 15 SER H A 19 ASP H 1.0 . 4.99 196 168 A 22 ALA H A 24 CYS H 1.0 . 4.45 197 169 A 24 CYS H A 25 VAL HGx% 1.0 . 5.13 198 170 A 32 CYS HA A 26 CYS H 1.0 . 5.01 199 171 A 30 GLY H A 27 GLY HA3 1.0 . 4.85 200 172 A 31 PHE H A 27 GLY HA3 1.0 . 4.73 201 173 A 31 PHE H A 27 GLY HA2 1.0 . 5.40 202 174 A 11 PRO HB3 A 32 CYS H 1.0 . 5.07 203 175 A 33 GLY H A 32 CYS H 1.0 . 4.75 204 176 A 33 GLY H A 21 LEU H 1.0 . 5.50 205 177 A 33 GLY H A 4 GLN HG3 1.0 . 5.50 206 178 A 25 VAL HB A 33 GLY H 1.0 . 5.50 207 179 A 31 PHE HB3 A 33 GLY H 1.0 . 5.50 208 180 A 4 GLN H A 2 CYS HB2 1.0 . 4.97 209 181 A 4 GLN H A 2 CYS HB3 1.0 . 5.50 210 182 A 4 GLN H A 21 LEU HDx% 1.0 . 5.28 211 183 A 4 GLN H A 2 CYS HA 1.0 . 4.94 212 184 A 8 ASP H A 9 TRP HH2 1.0 . 5.50 213 185 A 8 ASP H A 9 TRP HE3 1.0 . 4.76 214 186 A 9 TRP H A 6 ARG HBy 1.0 . 5.50 215 187 A 9 TRP H A 10 ALA HB% 1.0 . 5.35 216 188 A 9 TRP H A 6 ARG HBx 1.0 . 5.50 217 189 A 12 THR H A 31 PHE HE% 1.0 . 5.30 218 190 A 31 PHE HA A 12 THR H 1.0 . 5.11 219 191 A 31 PHE HB3 A 12 THR H 1.0 . 4.96 220 192 A 31 PHE HB3 A 14 CYS H 1.0 . 5.50 221 193 A 14 CYS H A 12 THR HG2% 1.0 . 5.45 222 194 A 32 CYS HA A 14 CYS H 1.0 . 5.50 223 195 A 25 VAL HGx% A 17 ASP H 1.0 . 5.50 224 196 A 24 CYS HB2 A 20 CYS H 1.0 . 5.50 225 197 A 22 ALA H A 24 CYS HB2 1.0 . 5.37 226 198 A 22 ALA H A 2 CYS HB3 1.0 . 5.50 227 199 A 23 GLY H A 24 CYS HA 1.0 . 5.27 228 200 A 4 GLN HB2 A 33 GLY H 1.0 . 5.50 229 201 A 4 GLN HB3 A 33 GLY H 1.0 . 5.50 230 202 A 12 THR H A 32 CYS H 1.0 . 4.59 231 203 A 32 CYS H A 11 PRO HA 1.0 . 4.95 232 204 A 31 PHE H A 11 PRO HB2 1.0 . 5.50 233 205 A 30 GLY H A 31 PHE HA 1.0 . 5.23 234 206 A 29 ASN HD21 A 29 ASN HA 1.0 . 4.94 235 207 A 12 THR HB A 4 GLN HE2y 1.0 . 4.91 236 208 A 21 LEU HDx% A 4 GLN HE2x 1.0 . 4.82 237 209 A 21 LEU HDx% A 4 GLN HE2y 1.0 . 4.82 238 210 A 12 THR HG2% A 4 GLN HE2x 1.0 . 4.72 239 211 A 12 THR HG2% A 4 GLN HE2y 1.0 . 4.72 240 212 A 4 GLN HB3 A 4 GLN HE2y 1.0 . 4.81 241 213 A 21 LEU HG A 4 GLN HE2y 1.0 . 4.90 242 214 A 4 GLN HB3 A 4 GLN HE2x 1.0 . 4.81 243 215 A 4 GLN HE2y A 32 CYS HB2 1.0 . 5.47 244 215 A 32 CYS HB3 A 4 GLN HE2y 1.0 . 5.47 245 216 A 25 VAL HGy% A 25 VAL HA 1.0 . 3.66 246 217 A 25 VAL H A 25 VAL HGy% 1.0 . 3.09 247 218 A 25 VAL H A 25 VAL HGx% 1.0 . 3.63 248 219 A 21 LEU HDy% A 21 LEU HB3 1.0 . 3.45 249 220 A 4 GLN HG2 A 21 LEU HDx% 1.0 . 4.17 250 221 A 29 ASN H A 28 PRO HG3 1.0 . 4.68 251 222 A 4 GLN HB3 A 4 GLN H 1.0 . 4.01 252 223 A 4 GLN HB3 A 32 CYS HB2 1.0 . 4.51 253 223 A 4 GLN HB3 A 32 CYS HB3 1.0 . 4.51 254 224 A 9 TRP HE3 A 9 TRP HB2 1.0 . 3.66 255 224 A 9 TRP HB3 A 9 TRP HE3 1.0 . 3.66 256 225 A 10 ALA H A 9 TRP HB2 1.0 . 4.00 257 225 A 9 TRP HB3 A 10 ALA H 1.0 . 4.00 258 226 A 9 TRP HB3 A 6 ARG HBx 1.0 . 5.12 259 226 A 6 ARG HBx A 9 TRP HB2 1.0 . 5.12 260 227 A 4 GLN H A 3 PRO HBx 1.0 . 4.64 261 228 A 4 GLN H A 3 PRO HBy 1.0 . 4.64 262 229 A 4 GLN HA A 4 GLN HG3 1.0 . 3.94 263 230 A 4 GLN H A 4 GLN HG3 1.0 . 4.51 264 231 A 29 ASN HD22 A 29 ASN HBx 1.0 . 4.07 265 232 A 29 ASN HD22 A 29 ASN HBy 1.0 . 4.07 266 233 A 26 CYS HB3 A 17 ASP HA 1.0 . 4.52 267 234 A 17 ASP HB2 A 25 VAL HGx% 1.0 . 4.81 268 235 A 17 ASP HB3 A 25 VAL HGx% 1.0 . 4.70 269 236 A 17 ASP HB3 A 17 ASP H 1.0 . 3.69 270 237 A 18 SER H A 17 ASP HB3 1.0 . 4.00 271 238 A 17 ASP HB2 A 25 VAL HA 1.0 . 4.83 272 239 A 24 CYS HB2 A 20 CYS HB2 1.0 . 3.54 273 240 A 20 CYS HB3 A 21 LEU H 1.0 . 3.25 274 241 A 24 CYS HB2 A 20 CYS HB3 1.0 . 3.37 275 242 A 20 CYS H A 20 CYS HB2 1.0 . 3.73 276 243 A 20 CYS HB2 A 21 LEU H 1.0 . 3.57 277 244 A 24 CYS HB2 A 2 CYS HB3 1.0 . 5.40 278 245 A 14 CYS HB3 A 32 CYS HB2 1.0 . 4.64 279 245 A 14 CYS HB3 A 32 CYS HB3 1.0 . 4.64 280 246 A 24 CYS HB3 A 32 CYS HB2 1.0 . 4.88 281 246 A 24 CYS HB3 A 32 CYS HB3 1.0 . 4.88 282 247 A 4 GLN HB2 A 32 CYS HB2 1.0 . 4.58 283 247 A 4 GLN HB2 A 32 CYS HB3 1.0 . 4.58 284 248 A 12 THR HG2% A 32 CYS HB2 1.0 . 4.32 285 248 A 32 CYS HB3 A 12 THR HG2% 1.0 . 4.32 286 249 A 24 CYS HB2 A 32 CYS HB2 1.0 . 4.94 287 249 A 24 CYS HB2 A 32 CYS HB3 1.0 . 4.94 288 250 A 31 PHE HB3 A 31 PHE H 1.0 . 3.73 289 251 A 21 LEU H A 21 LEU HB3 1.0 . 3.66 290 252 A 21 LEU HDx% A 21 LEU HB3 1.0 . 3.49 291 253 A 21 LEU HB2 A 21 LEU HDx% 1.0 . 3.22 292 254 A 22 ALA H A 21 LEU HB2 1.0 . 3.81 293 255 A 27 GLY HA2 A 28 PRO HG3 1.0 . 4.83 294 256 A 25 VAL HGy% A 27 GLY HA2 1.0 . 4.52 295 257 A 27 GLY HA3 A 28 PRO HDx 1.0 . 3.37 296 258 A 28 PRO HG2 A 27 GLY HA3 1.0 . 4.47 297 259 A 24 CYS HB3 A 21 LEU H 1.0 . 4.18 298 260 A 24 CYS HB2 A 21 LEU H 1.0 . 3.54 299 261 A 14 CYS HB2 A 19 ASP H 1.0 . 4.72 300 262 A 14 CYS HB2 A 15 SER HA 1.0 . 4.52 301 263 A 14 CYS HB3 A 16 GLN H 1.0 . 4.12 302 264 A 14 CYS HB2 A 26 CYS HB2 1.0 . 4.25 303 265 A 15 SER H A 14 CYS HB3 1.0 . 3.78 304 266 A 14 CYS HB3 A 26 CYS HB2 1.0 . 4.86 305 267 A 29 ASN H A 28 PRO HDx 1.0 . 4.46 306 268 A 30 GLY H A 28 PRO HDx 1.0 . 5.50 307 269 A 30 GLY H A 28 PRO HDy 1.0 . 5.50 308 270 A 27 GLY HA2 A 28 PRO HDy 1.0 . 3.14 309 271 A 27 GLY HA2 A 28 PRO HDx 1.0 . 3.14 310 272 A 27 GLY HA3 A 28 PRO HDy 1.0 . 3.37 311 273 A 10 ALA HA A 11 PRO HDx 1.0 . 3.03 312 274 A 10 ALA HA A 11 PRO HG2 1.0 . 4.22 313 274 A 11 PRO HG3 A 10 ALA HA 1.0 . 4.22 314 275 A 10 ALA HA A 11 PRO HDy 1.0 . 3.03 315 276 A 10 ALA HB% A 11 PRO HDx 1.0 . 3.76 316 277 A 10 ALA HB% A 11 PRO HDy 1.0 . 3.76 317 278 A 21 LEU HDx% A 3 PRO HDy 1.0 . 4.59 318 279 A 21 LEU HDx% A 3 PRO HDx 1.0 . 4.59 319 280 A 23 GLY H A 22 ALA HA 1.0 . 2.66 320 281 A 21 LEU HG A 21 LEU HA 1.0 . 3.84 321 282 A 21 LEU HA A 21 LEU HDy% 1.0 . 2.91 322 283 A 6 ARG HA A 6 ARG HG2 1.0 . 3.63 323 283 A 6 ARG HG3 A 6 ARG HA 1.0 . 3.63 324 284 A 6 ARG HA A 6 ARG HDy 1.0 . 4.97 325 285 A 6 ARG HA A 7 GLY HA2 1.0 . 4.28 326 285 A 7 GLY HA3 A 6 ARG HA 1.0 . 4.28 327 286 A 4 GLN HA A 9 TRP HB2 1.0 . 4.19 328 286 A 4 GLN HA A 9 TRP HB3 1.0 . 4.19 329 287 A 4 GLN HA A 4 GLN HG2 1.0 . 3.44 330 288 A 31 PHE HA A 13 SER HBy 1.0 . 5.50 331 289 A 31 PHE HA A 13 SER HBx 1.0 . 5.50 332 290 A 9 TRP HA A 10 ALA HB% 1.0 . 4.48 333 291 A 31 PHE HA A 13 SER HA 1.0 . 3.62 334 292 A 31 PHE HB2 A 13 SER HA 1.0 . 5.22 335 293 A 20 CYS H A 17 ASP HA 1.0 . 4.77 336 294 A 17 ASP HA A 25 VAL HGx% 1.0 . 4.77 337 295 A 25 VAL HB A 17 ASP HA 1.0 . 4.70 338 296 A 19 ASP H A 17 ASP HA 1.0 . 4.83 339 297 A 26 CYS HB2 A 17 ASP HA 1.0 . 3.49 340 298 A 25 VAL HA A 17 ASP HB3 1.0 . 4.02 341 299 A 25 VAL HA A 20 CYS HB2 1.0 . 4.44 342 300 A 25 VAL HA A 25 VAL HGx% 1.0 . 3.15 343 301 A 17 ASP HB3 A 18 SER HA 1.0 . 4.71 344 302 A 17 ASP HB2 A 18 SER HA 1.0 . 5.22 345 303 A 20 CYS H A 18 SER HA 1.0 . 4.11 346 304 A 12 THR HG2% A 12 THR HA 1.0 . 3.46 347 305 A 18 SER H A 18 SER HBy 1.0 . 3.76 348 306 A 12 THR H A 11 PRO HA 1.0 . 2.80 349 307 A 4 GLN H A 3 PRO HA 1.0 . 3.01 350 308 A 4 GLN HA A 3 PRO HA 1.0 . 4.55 351 309 A 30 GLY H A 28 PRO HA 1.0 . 4.09 352 310 A 12 THR HB A 32 CYS HB2 1.0 . 3.31 353 310 A 32 CYS HB3 A 12 THR HB 1.0 . 3.31 354 311 A 12 THR H A 12 THR HB 1.0 . 3.30 355 312 A 12 THR HB A 13 SER H 1.0 . 4.50 356 313 A 21 LEU HDx% A 3 PRO HA 1.0 . 5.50 357 314 A 4 GLN H A 3 PRO HDy 1.0 . 5.25 358 315 A 2 CYS HB2 A 3 PRO HDy 1.0 . 4.73 359 316 A 2 CYS HB3 A 3 PRO HDy 1.0 . 4.21 360 317 A 2 CYS HB3 A 3 PRO HDx 1.0 . 4.21 361 318 A 2 CYS HB2 A 3 PRO HDx 1.0 . 4.73 362 319 A 21 LEU HDx% A 3 PRO HG3 1.0 . 4.42 363 320 A 4 GLN H A 3 PRO HG2 1.0 . 4.91 364 321 A 4 GLN HA A 4 GLN HE2y 1.0 . 5.50 365 322 A 4 GLN HA A 4 GLN HE2x 1.0 . 5.50 366 323 A 4 GLN HA A 6 ARG HG2 1.0 . 5.32 367 323 A 4 GLN HA A 6 ARG HG3 1.0 . 5.32 368 324 A 4 GLN HA A 21 LEU HDx% 1.0 . 5.24 369 325 A 6 ARG HA A 6 ARG HDx 1.0 . 4.97 370 326 A 7 GLY HA2 A 8 ASP HB2 1.0 . 4.96 371 326 A 7 GLY HA3 A 8 ASP HB2 1.0 . 4.96 372 326 A 8 ASP HB3 A 7 GLY HA2 1.0 . 4.96 373 326 A 7 GLY HA3 A 8 ASP HB3 1.0 . 4.96 374 327 A 9 TRP HA A 8 ASP HB2 1.0 . 5.22 375 327 A 8 ASP HB3 A 9 TRP HA 1.0 . 5.22 376 328 A 10 ALA HB% A 9 TRP HB2 1.0 . 5.05 377 328 A 9 TRP HB3 A 10 ALA HB% 1.0 . 5.05 378 329 A 6 ARG HG2 A 9 TRP HB2 1.0 . 5.23 379 329 A 6 ARG HG3 A 9 TRP HB2 1.0 . 5.23 380 329 A 9 TRP HB3 A 6 ARG HG2 1.0 . 5.23 381 329 A 9 TRP HB3 A 6 ARG HG3 1.0 . 5.23 382 330 A 9 TRP HB3 A 6 ARG HBy 1.0 . 5.12 383 330 A 6 ARG HBy A 9 TRP HB2 1.0 . 5.12 384 331 A 12 THR HB A 4 GLN HE2x 1.0 . 4.91 385 332 A 4 GLN HB3 A 12 THR HB 1.0 . 5.11 386 333 A 13 SER HA A 31 PHE HE% 1.0 . 5.08 387 334 A 14 CYS HB3 A 19 ASP H 1.0 . 5.38 388 335 A 13 SER HA A 14 CYS HB3 1.0 . 5.19 389 336 A 14 CYS HB2 A 12 THR HG2% 1.0 . 5.33 390 337 A 14 CYS HB3 A 12 THR HG2% 1.0 . 4.93 391 338 A 14 CYS HB2 A 16 GLN HG2 1.0 . 5.07 392 338 A 16 GLN HG3 A 14 CYS HB2 1.0 . 5.07 393 339 A 14 CYS HB3 A 16 GLN HG2 1.0 . 5.50 394 339 A 16 GLN HG3 A 14 CYS HB3 1.0 . 5.50 395 340 A 17 ASP HB3 A 16 GLN HG2 1.0 . 5.50 396 340 A 16 GLN HG3 A 17 ASP HB3 1.0 . 5.50 397 341 A 17 ASP HB2 A 16 GLN HG2 1.0 . 4.93 398 341 A 17 ASP HB2 A 16 GLN HG3 1.0 . 4.93 399 342 A 18 SER HA A 16 GLN HG2 1.0 . 4.91 400 342 A 16 GLN HG3 A 18 SER HA 1.0 . 4.91 401 343 A 17 ASP H A 18 SER HA 1.0 . 5.50 402 344 A 16 GLN HG2 A 18 SER HBx 1.0 . 5.13 403 344 A 16 GLN HG3 A 18 SER HBx 1.0 . 5.13 404 345 A 18 SER HBy A 16 GLN HG2 1.0 . 5.13 405 345 A 16 GLN HG3 A 18 SER HBy 1.0 . 5.13 406 346 A 16 GLN HG3 A 19 ASP HB2 1.0 . 4.40 407 346 A 16 GLN HG2 A 19 ASP HB2 1.0 . 4.40 408 346 A 19 ASP HB3 A 16 GLN HG2 1.0 . 4.40 409 346 A 16 GLN HG3 A 19 ASP HB3 1.0 . 4.40 410 347 A 32 CYS HB3 A 33 GLY HAx 1.0 . 5.02 411 347 A 32 CYS HB2 A 33 GLY HAx 1.0 . 5.02 412 348 A 32 CYS HB3 A 33 GLY HAy 1.0 . 5.02 413 348 A 33 GLY HAy A 32 CYS HB2 1.0 . 5.02 414 349 A 24 CYS HB3 A 33 GLY HAx 1.0 . 5.03 415 350 A 21 LEU H A 32 CYS HB2 1.0 . 4.46 416 350 A 32 CYS HB3 A 21 LEU H 1.0 . 4.46 417 351 A 4 GLN HE2x A 32 CYS HB2 1.0 . 5.47 418 351 A 32 CYS HB3 A 4 GLN HE2x 1.0 . 5.47 419 352 A 4 GLN HG2 A 32 CYS HB2 1.0 . 5.50 420 352 A 4 GLN HG2 A 32 CYS HB3 1.0 . 5.50 421 353 A 11 PRO HB3 A 32 CYS HB2 1.0 . 5.50 422 353 A 32 CYS HB3 A 11 PRO HB3 1.0 . 5.50 423 354 A 32 CYS HA A 14 CYS HB3 1.0 . 5.50 424 355 A 32 CYS HA A 24 CYS HB3 1.0 . 5.50 425 356 A 32 CYS HA A 26 CYS HA 1.0 . 4.96 426 357 A 31 PHE HB3 A 29 ASN HD21 1.0 . 5.01 427 358 A 31 PHE HB3 A 27 GLY H 1.0 . 5.34 428 359 A 31 PHE HB3 A 13 SER HA 1.0 . 4.92 429 360 A 31 PHE HB3 A 11 PRO HB2 1.0 . 4.56 430 361 A 31 PHE HB3 A 11 PRO HB3 1.0 . 5.05 431 362 A 31 PHE HB2 A 11 PRO HB3 1.0 . 4.61 432 363 A 31 PHE HB2 A 11 PRO HB2 1.0 . 4.24 433 364 A 31 PHE HA A 32 CYS HB2 1.0 . 4.40 434 364 A 31 PHE HA A 32 CYS HB3 1.0 . 4.40 435 365 A 24 CYS HB3 A 25 VAL HGx% 1.0 . 5.27 436 366 A 24 CYS HB3 A 25 VAL HGy% 1.0 . 5.50 437 367 A 24 CYS HB3 A 21 LEU HB2 1.0 . 4.95 438 368 A 4 GLN HB2 A 24 CYS HB3 1.0 . 5.50 439 369 A 4 GLN HB3 A 24 CYS HB3 1.0 . 5.50 440 370 A 24 CYS HB2 A 21 LEU HB2 1.0 . 4.71 441 371 A 24 CYS HB2 A 25 VAL HGx% 1.0 . 5.22 442 372 A 24 CYS HB3 A 25 VAL HA 1.0 . 5.34 443 373 A 24 CYS HB3 A 33 GLY HAy 1.0 . 5.03 444 374 A 24 CYS HB2 A 33 GLY H 1.0 . 4.86 445 375 A 20 CYS HB3 A 17 ASP HA 1.0 . 4.90 446 376 A 20 CYS HB3 A 25 VAL HA 1.0 . 5.42 447 377 A 25 VAL H A 20 CYS HB2 1.0 . 5.49 448 378 A 17 ASP HB3 A 26 CYS H 1.0 . 5.50 449 379 A 25 VAL H A 20 CYS HB3 1.0 . 5.02 450 380 A 20 CYS HB3 A 21 LEU HG 1.0 . 5.50 451 381 A 20 CYS HB3 A 21 LEU HB2 1.0 . 5.05 452 382 A 20 CYS HB2 A 21 LEU HB2 1.0 . 5.06 453 383 A 20 CYS HB3 A 21 LEU HDx% 1.0 . 5.50 454 384 A 20 CYS HB3 A 21 LEU HDy% 1.0 . 5.50 455 385 A 24 CYS HB2 A 21 LEU HB3 1.0 . 5.50 456 386 A 21 LEU HDx% A 21 LEU HA 1.0 . 4.27 457 387 A 22 ALA H A 21 LEU HDx% 1.0 . 4.86 458 388 A 21 LEU H A 21 LEU HDy% 1.0 . 4.53 459 389 A 21 LEU HG A 4 GLN HE2x 1.0 . 4.90 460 390 A 31 PHE HE% A 11 PRO HG2 1.0 . 5.50 461 390 A 11 PRO HG3 A 31 PHE HE% 1.0 . 5.50 462 391 A 22 ALA HB% A 23 GLY HAy 1.0 . 5.12 463 392 A 22 ALA HB% A 23 GLY HAx 1.0 . 5.12 464 393 A 2 CYS HB3 A 3 PRO HG2 1.0 . 5.45 465 394 A 24 CYS H A 2 CYS HB3 1.0 . 5.17 466 395 A 20 CYS HB3 A 21 LEU HB3 1.0 . 5.50 467 396 A 24 CYS HB3 A 4 GLN HG3 1.0 . 5.41 468 397 A 9 TRP HA A 9 TRP HE3 1.0 . 4.48 469 398 A 9 TRP HD1 A 9 TRP HB2 1.0 . 3.83 470 398 A 9 TRP HB3 A 9 TRP HD1 1.0 . 3.83 471 399 A 4 GLN HA A 9 TRP HD1 1.0 . 4.48 472 400 A 9 TRP HA A 9 TRP HD1 1.0 . 4.16 473 401 A 11 PRO HB2 A 31 PHE HE% 1.0 . 4.48 474 402 A 31 PHE HD% A 11 PRO HA 1.0 . 4.70 475 403 A 12 THR H A 31 PHE HD% 1.0 . 4.10 476 404 A 31 PHE HA A 31 PHE HD% 1.0 . 3.48 477 405 A 13 SER HA A 31 PHE HD% 1.0 . 3.83 478 406 A 29 ASN HD21 A 31 PHE HD% 1.0 . 4.41 479 407 A 11 PRO HB2 A 31 PHE HD% 1.0 . 3.99 480 408 A 11 PRO HB3 A 31 PHE HD% 1.0 . 4.36 481 409 A 14 CYS H A 31 PHE HD% 1.0 . 4.26 482 410 A 2 CYS HB2 A 3 PRO HDx 1.0 . 4.14 483 410 A 2 CYS HB2 A 3 PRO HDy 1.0 . 4.14 484 411 A 2 CYS HB3 A 23 GLY HAx 1.0 . 5.32 485 411 A 2 CYS HB3 A 23 GLY HAy 1.0 . 5.32 486 412 A 3 PRO HBy A 9 TRP HB2 1.0 . 5.34 487 412 A 9 TRP HB3 A 3 PRO HBx 1.0 . 5.34 488 412 A 9 TRP HB3 A 3 PRO HBy 1.0 . 5.34 489 412 A 3 PRO HBx A 9 TRP HB2 1.0 . 5.34 490 413 A 21 LEU HDx% A 3 PRO HBx 1.0 . 5.06 491 413 A 21 LEU HDx% A 3 PRO HBy 1.0 . 5.06 492 414 A 4 GLN H A 3 PRO HDx 1.0 . 4.46 493 414 A 4 GLN H A 3 PRO HDy 1.0 . 4.46 494 415 A 21 LEU HB3 A 3 PRO HDx 1.0 . 5.35 495 415 A 21 LEU HB3 A 3 PRO HDy 1.0 . 5.35 496 416 A 21 LEU HDx% A 3 PRO HDx 1.0 . 3.91 497 416 A 21 LEU HDx% A 3 PRO HDy 1.0 . 3.91 498 417 A 4 GLN HB2 A 33 GLY HAx 1.0 . 5.15 499 417 A 4 GLN HB2 A 33 GLY HAy 1.0 . 5.15 500 418 A 4 GLN HB3 A 4 GLN HE2y 1.0 . 4.16 501 418 A 4 GLN HB3 A 4 GLN HE2x 1.0 . 4.16 502 419 A 4 GLN HB3 A 33 GLY HAx 1.0 . 5.34 503 419 A 4 GLN HB3 A 33 GLY HAy 1.0 . 5.34 504 420 A 4 GLN HG3 A 4 GLN HE2y 1.0 . 3.32 505 420 A 4 GLN HG3 A 4 GLN HE2x 1.0 . 3.32 506 421 A 12 THR HG2% A 4 GLN HE2y 1.0 . 4.08 507 421 A 12 THR HG2% A 4 GLN HE2x 1.0 . 4.08 508 422 A 20 CYS HA A 4 GLN HE2y 1.0 . 4.62 509 422 A 20 CYS HA A 4 GLN HE2x 1.0 . 4.62 510 423 A 21 LEU H A 4 GLN HE2y 1.0 . 4.12 511 423 A 21 LEU H A 4 GLN HE2x 1.0 . 4.12 512 424 A 21 LEU HG A 4 GLN HE2y 1.0 . 4.17 513 424 A 21 LEU HG A 4 GLN HE2x 1.0 . 4.17 514 425 A 32 CYS HB3 A 4 GLN HE2y 1.0 . 4.67 515 425 A 4 GLN HE2y A 32 CYS HB2 1.0 . 4.67 516 425 A 32 CYS HB3 A 4 GLN HE2x 1.0 . 4.67 517 425 A 4 GLN HE2x A 32 CYS HB2 1.0 . 4.67 518 426 A 6 ARG H A 5 GLY HAy 1.0 . 3.08 519 426 A 6 ARG H A 5 GLY HAx 1.0 . 3.08 520 427 A 6 ARG HA A 5 GLY HAy 1.0 . 4.68 521 427 A 6 ARG HA A 5 GLY HAx 1.0 . 4.68 522 428 A 6 ARG HA A 6 ARG HDx 1.0 . 4.26 523 428 A 6 ARG HA A 6 ARG HDy 1.0 . 4.26 524 429 A 6 ARG HBx A 6 ARG HDx 1.0 . 3.34 525 429 A 6 ARG HBy A 6 ARG HDx 1.0 . 3.34 526 429 A 6 ARG HDy A 6 ARG HBx 1.0 . 3.34 527 429 A 6 ARG HDy A 6 ARG HBy 1.0 . 3.34 528 430 A 7 GLY H A 6 ARG HBx 1.0 . 3.42 529 430 A 7 GLY H A 6 ARG HBy 1.0 . 3.42 530 431 A 8 ASP H A 6 ARG HBx 1.0 . 4.19 531 431 A 8 ASP H A 6 ARG HBy 1.0 . 4.19 532 432 A 9 TRP H A 6 ARG HBx 1.0 . 4.83 533 432 A 9 TRP H A 6 ARG HBy 1.0 . 4.83 534 433 A 10 ALA H A 11 PRO HDx 1.0 . 4.75 535 433 A 10 ALA H A 11 PRO HDy 1.0 . 4.75 536 434 A 10 ALA HA A 11 PRO HDx 1.0 . 2.63 537 434 A 10 ALA HA A 11 PRO HDy 1.0 . 2.63 538 435 A 10 ALA HB% A 11 PRO HDx 1.0 . 3.23 539 435 A 10 ALA HB% A 11 PRO HDy 1.0 . 3.23 540 436 A 12 THR HA A 13 SER HBx 1.0 . 4.60 541 436 A 12 THR HA A 13 SER HBy 1.0 . 4.60 542 437 A 13 SER H A 13 SER HBx 1.0 . 2.97 543 437 A 13 SER H A 13 SER HBy 1.0 . 2.97 544 438 A 14 CYS H A 13 SER HBx 1.0 . 3.71 545 438 A 14 CYS H A 13 SER HBy 1.0 . 3.71 546 439 A 31 PHE HA A 13 SER HBx 1.0 . 4.84 547 439 A 31 PHE HA A 13 SER HBy 1.0 . 4.84 548 440 A 31 PHE HD% A 13 SER HBx 1.0 . 4.15 549 440 A 31 PHE HD% A 13 SER HBy 1.0 . 4.15 550 441 A 31 PHE HE% A 13 SER HBx 1.0 . 3.93 551 441 A 31 PHE HE% A 13 SER HBy 1.0 . 3.93 552 442 A 15 SER H A 15 SER HBy 1.0 . 3.30 553 442 A 15 SER H A 15 SER HBx 1.0 . 3.30 554 443 A 15 SER H A 16 GLN HE2x 1.0 . 5.34 555 443 A 15 SER H A 16 GLN HE2y 1.0 . 5.34 556 444 A 16 GLN H A 15 SER HBy 1.0 . 3.81 557 444 A 16 GLN H A 15 SER HBx 1.0 . 3.81 558 445 A 16 GLN HB3 A 15 SER HBy 1.0 . 5.01 559 445 A 16 GLN HB3 A 15 SER HBx 1.0 . 5.01 560 446 A 15 SER HBx A 16 GLN HG2 1.0 . 4.46 561 446 A 15 SER HBy A 16 GLN HG2 1.0 . 4.46 562 446 A 16 GLN HG3 A 15 SER HBy 1.0 . 4.46 563 446 A 16 GLN HG3 A 15 SER HBx 1.0 . 4.46 564 447 A 16 GLN HG2 A 18 SER HBx 1.0 . 4.45 565 447 A 16 GLN HG3 A 18 SER HBx 1.0 . 4.45 566 447 A 18 SER HBy A 16 GLN HG2 1.0 . 4.45 567 447 A 16 GLN HG3 A 18 SER HBy 1.0 . 4.45 568 448 A 17 ASP HB2 A 18 SER HBx 1.0 . 5.34 569 448 A 17 ASP HB2 A 18 SER HBy 1.0 . 5.34 570 449 A 17 ASP HB3 A 18 SER HBx 1.0 . 5.04 571 449 A 17 ASP HB3 A 18 SER HBy 1.0 . 5.04 572 450 A 18 SER H A 18 SER HBx 1.0 . 3.05 573 450 A 18 SER H A 18 SER HBy 1.0 . 3.05 574 451 A 19 ASP H A 18 SER HBx 1.0 . 4.22 575 451 A 19 ASP H A 18 SER HBy 1.0 . 4.22 576 452 A 20 CYS H A 18 SER HBx 1.0 . 5.34 577 452 A 20 CYS H A 18 SER HBy 1.0 . 5.34 578 453 A 22 ALA HA A 23 GLY HAx 1.0 . 4.41 579 453 A 22 ALA HA A 23 GLY HAy 1.0 . 4.41 580 454 A 22 ALA HB% A 23 GLY HAx 1.0 . 4.46 581 454 A 22 ALA HB% A 23 GLY HAy 1.0 . 4.46 582 455 A 25 VAL H A 33 GLY HAx 1.0 . 4.29 583 455 A 25 VAL H A 33 GLY HAy 1.0 . 4.29 584 456 A 27 GLY H A 28 PRO HDx 1.0 . 4.52 585 456 A 27 GLY H A 28 PRO HDy 1.0 . 4.52 586 457 A 27 GLY HA3 A 28 PRO HDx 1.0 . 2.92 587 457 A 27 GLY HA3 A 28 PRO HDy 1.0 . 2.92 588 458 A 29 ASN H A 28 PRO HBy 1.0 . 4.10 589 458 A 29 ASN H A 28 PRO HBx 1.0 . 4.10 590 459 A 30 GLY H A 28 PRO HBy 1.0 . 5.15 591 459 A 30 GLY H A 28 PRO HBx 1.0 . 5.15 592 460 A 29 ASN H A 28 PRO HDx 1.0 . 3.78 593 460 A 29 ASN H A 28 PRO HDy 1.0 . 3.78 594 461 A 29 ASN H A 29 ASN HBy 1.0 . 3.17 595 461 A 29 ASN H A 29 ASN HBx 1.0 . 3.17 596 462 A 29 ASN H A 30 GLY HAy 1.0 . 4.82 597 462 A 29 ASN H A 30 GLY HAx 1.0 . 4.82 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 undefined _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 2 CYS SG A 24 CYS SG 1.0 . 2.0 2 2 A 2 CYS SG A 24 CYS CB 1.0 . 3.0 3 3 A 24 CYS SG A 2 CYS CB 1.0 . 3.0 4 4 A 14 CYS SG A 26 CYS SG 1.0 . 2.0 5 5 A 14 CYS SG A 26 CYS CB 1.0 . 3.0 6 6 A 26 CYS SG A 14 CYS CB 1.0 . 3.0 7 7 A 20 CYS SG A 32 CYS SG 1.0 . 2.0 8 8 A 20 CYS SG A 32 CYS CB 1.0 . 3.0 9 9 A 32 CYS SG A 20 CYS CB 1.0 . 3.0 10 10 A 2 CYS SG A 24 CYS SG 1.0 . 2.1 11 11 A 2 CYS SG A 24 CYS CB 1.0 . 3.1 12 12 A 24 CYS SG A 2 CYS CB 1.0 . 3.1 13 13 A 14 CYS SG A 26 CYS SG 1.0 . 2.1 14 14 A 14 CYS SG A 26 CYS CB 1.0 . 3.1 15 15 A 26 CYS SG A 14 CYS CB 1.0 . 3.1 16 16 A 20 CYS SG A 32 CYS SG 1.0 . 2.1 17 17 A 20 CYS SG A 32 CYS CB 1.0 . 3.1 18 18 A 32 CYS SG A 20 CYS CB 1.0 . 3.1 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 32 CYS H A 12 THR O 1.0 . 1.8 2 2 A 12 THR O A 32 CYS N 1.0 . 2.7 3 3 A 15 SER H A 19 ASP OD2 1.0 . 1.8 4 4 A 19 ASP OD2 A 15 SER N 1.0 . 2.7 5 5 A 33 GLY H A 25 VAL O 1.0 . 1.8 6 6 A 25 VAL O A 33 GLY N 1.0 . 2.7 7 7 A 32 CYS H A 12 THR O 1.0 . 2.0 8 8 A 12 THR O A 32 CYS N 1.0 . 3.0 9 9 A 15 SER H A 19 ASP OD2 1.0 . 2.0 10 10 A 19 ASP OD2 A 15 SER N 1.0 . 3.0 11 11 A 33 GLY H A 25 VAL O 1.0 . 2.0 12 12 A 25 VAL O A 33 GLY N 1.0 . 3.0 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 save_