data_nef_c34069_5mgq 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 5MGQ 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 7 CYS SG 1 36 THR C 1 37 TYC N 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 LYS start . . 2 A 2 CYS middle -HG . 3 A 3 ASN middle . . 4 A 4 THR middle . . 5 A 5 ALA middle . . 6 A 6 THR middle . . 7 A 7 CYS middle -HG . 8 A 8 ALA middle . . 9 A 9 THR middle . . 10 A 10 GLN middle . . 11 A 11 ARG middle . . 12 A 12 LEU middle . . 13 A 13 ALA middle . . 14 A 14 ASN middle . . 15 A 15 PHE middle . . 16 A 16 LEU middle . . 17 A 17 VAL middle . . 18 A 18 HIS middle . . 19 A 19 SER middle . . 20 A 20 SER middle . . 21 A 21 ASN middle . . 22 A 22 ASN middle . . 23 A 23 PHE middle . . 24 A 24 GLY middle . false 25 A 25 ALA middle . . 26 A 26 ILE middle . . 27 A 27 LEU middle . . 28 A 28 SER middle . . 29 A 29 SER middle . . 30 A 30 THR middle . . 31 A 31 ASN middle . . 32 A 32 VAL middle . . 33 A 33 GLY middle . false 34 A 34 SER middle . . 35 A 35 ASN middle . . 36 A 36 THR middle -OXT . 37 A 37 TYC end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 LYS HA H 1 3.988 0.003 A 1 LYS HB2 H 1 1.874 0.020 A 1 LYS HB3 H 1 1.874 0.020 A 1 LYS HD2 H 1 1.673 0.020 A 1 LYS HD3 H 1 1.673 0.020 A 1 LYS HE2 H 1 2.974 0.001 A 1 LYS HE3 H 1 2.974 0.001 A 1 LYS HG2 H 1 1.379 0.008 A 1 LYS HG3 H 1 1.379 0.008 A 1 LYS CA C 13 55.410 0.200 A 1 LYS CB C 13 33.249 0.200 A 1 LYS CD C 13 29.160 0.200 A 1 LYS CE C 13 41.876 0.001 A 1 LYS CG C 13 23.785 0.200 A 2 CYS H H 1 9.044 0.020 A 2 CYS HA H 1 4.671 0.020 A 2 CYS HBy H 1 3.274 0.010 A 2 CYS HBx H 1 3.110 0.020 A 2 CYS CA C 13 55.784 0.200 A 2 CYS CB C 13 41.505 0.200 A 2 CYS N N 15 122.372 0.200 A 3 ASN H H 1 9.027 0.020 A 3 ASN HA H 1 4.668 0.009 A 3 ASN HB2 H 1 2.852 0.003 A 3 ASN HB3 H 1 2.852 0.003 A 3 ASN HD21 H 1 7.655 0.020 A 3 ASN HD22 H 1 6.910 0.020 A 3 ASN N N 15 124.528 0.049 A 3 ASN ND2 N 15 112.528 0.063 A 4 THR H H 1 7.644 0.020 A 4 THR HA H 1 4.490 0.002 A 4 THR HB H 1 4.543 0.003 A 4 THR HG2% H 1 1.255 0.003 A 4 THR CA C 13 61.256 0.200 A 4 THR CB C 13 70.992 0.200 A 4 THR CG2 C 13 21.708 0.200 A 4 THR N N 15 111.085 0.030 A 5 ALA H H 1 8.773 0.021 A 5 ALA HA H 1 4.186 0.020 A 5 ALA HB% H 1 1.463 0.020 A 5 ALA CA C 13 54.787 0.200 A 5 ALA CB C 13 18.544 0.200 A 5 ALA N N 15 122.949 0.013 A 6 THR H H 1 7.990 0.020 A 6 THR HA H 1 4.251 0.002 A 6 THR HB H 1 4.185 0.020 A 6 THR HG2% H 1 1.185 0.020 A 6 THR CA C 13 63.480 0.200 A 6 THR CB C 13 69.199 0.200 A 6 THR N N 15 109.621 0.031 A 7 CYS H H 1 8.153 0.001 A 7 CYS HA H 1 4.509 0.020 A 7 CYS HBy H 1 3.264 0.011 A 7 CYS HBx H 1 3.049 0.012 A 7 CYS CA C 13 56.730 0.200 A 7 CYS CB C 13 41.122 0.200 A 7 CYS N N 15 120.674 0.011 A 8 ALA H H 1 8.239 0.001 A 8 ALA HA H 1 4.252 0.001 A 8 ALA HB% H 1 1.427 0.016 A 8 ALA CA C 13 54.018 0.200 A 8 ALA CB C 13 18.643 0.200 A 8 ALA N N 15 124.554 0.030 A 9 THR H H 1 8.191 0.020 A 9 THR HA H 1 4.242 0.020 A 9 THR HB H 1 4.190 0.020 A 9 THR HG2% H 1 1.202 0.006 A 9 THR CA C 13 63.688 0.200 A 9 THR CB C 13 69.230 0.200 A 9 THR N N 15 113.948 0.200 A 10 GLN H H 1 8.289 0.002 A 10 GLN HA H 1 4.222 0.009 A 10 GLN HBx H 1 2.009 0.059 A 10 GLN HBy H 1 2.054 0.013 A 10 GLN HE21 H 1 7.589 0.020 A 10 GLN HE22 H 1 6.920 0.020 A 10 GLN HGx H 1 2.338 0.006 A 10 GLN HGy H 1 2.373 0.004 A 10 GLN CA C 13 56.951 0.200 A 10 GLN CB C 13 28.994 0.200 A 10 GLN CG C 13 33.910 0.200 A 10 GLN N N 15 122.840 0.062 A 10 GLN NE2 N 15 112.784 0.065 A 11 ARG H H 1 8.334 0.002 A 11 ARG HA H 1 4.233 0.004 A 11 ARG HB2 H 1 1.790 0.009 A 11 ARG HB3 H 1 1.790 0.009 A 11 ARG HD2 H 1 3.145 0.005 A 11 ARG HD3 H 1 3.145 0.005 A 11 ARG HE H 1 7.243 0.020 A 11 ARG HGx H 1 1.565 0.004 A 11 ARG HGy H 1 1.641 0.006 A 11 ARG CA C 13 57.384 0.200 A 11 ARG CB C 13 30.588 0.200 A 11 ARG CD C 13 43.410 0.200 A 11 ARG CG C 13 27.439 0.200 A 11 ARG N N 15 122.101 0.011 A 11 ARG NE N 15 84.360 0.023 A 12 LEU H H 1 8.212 0.020 A 12 LEU HA H 1 4.293 0.003 A 12 LEU HBx H 1 1.586 0.005 A 12 LEU HBy H 1 1.654 0.002 A 12 LEU HDx% H 1 0.856 0.001 A 12 LEU HDy% H 1 0.912 0.001 A 12 LEU CA C 13 55.701 0.200 A 12 LEU CB C 13 42.124 0.200 A 12 LEU N N 15 122.970 0.200 A 13 ALA H H 1 8.258 0.002 A 13 ALA HA H 1 4.179 0.002 A 13 ALA HB% H 1 1.319 0.003 A 13 ALA CA C 13 53.341 0.200 A 13 ALA CB C 13 18.822 0.200 A 13 ALA N N 15 124.021 0.043 A 14 ASN H H 1 8.277 0.009 A 14 ASN HA H 1 4.553 0.017 A 14 ASN HB2 H 1 2.706 0.007 A 14 ASN HB3 H 1 2.706 0.007 A 14 ASN HD21 H 1 7.627 0.020 A 14 ASN HD22 H 1 6.942 0.010 A 14 ASN CA C 13 53.846 0.200 A 14 ASN CB C 13 38.488 0.200 A 14 ASN N N 15 117.050 0.037 A 14 ASN ND2 N 15 112.829 0.058 A 15 PHE H H 1 8.075 0.002 A 15 PHE HA H 1 4.537 0.020 A 15 PHE HBx H 1 3.056 0.004 A 15 PHE HBy H 1 3.140 0.003 A 15 PHE HDx H 1 7.228 0.006 A 15 PHE HDy H 1 7.228 0.006 A 15 PHE HEx H 1 7.320 0.004 A 15 PHE HEy H 1 7.320 0.004 A 15 PHE N N 15 120.304 0.040 A 16 LEU H H 1 8.099 0.001 A 16 LEU HA H 1 4.254 0.017 A 16 LEU HBx H 1 1.473 0.003 A 16 LEU HBy H 1 1.587 0.004 A 16 LEU HDx% H 1 0.823 0.001 A 16 LEU HDy% H 1 0.874 0.020 A 16 LEU CA C 13 55.479 0.200 A 16 LEU CB C 13 42.230 0.200 A 16 LEU N N 15 122.958 0.038 A 17 VAL H H 1 8.025 0.020 A 17 VAL HA H 1 3.954 0.004 A 17 VAL HB H 1 1.981 0.006 A 17 VAL HGx% H 1 0.837 0.003 A 17 VAL HGy% H 1 0.906 0.003 A 17 VAL CA C 13 62.745 0.200 A 17 VAL CB C 13 32.477 0.200 A 17 VAL N N 15 121.206 0.054 A 18 HIS H H 1 8.626 0.020 A 18 HIS HA H 1 4.707 0.004 A 18 HIS HBx H 1 3.149 0.020 A 18 HIS HBy H 1 3.229 0.008 A 18 HIS HD2 H 1 7.248 0.029 A 18 HIS HE1 H 1 8.523 0.020 A 18 HIS CA C 13 55.467 0.200 A 18 HIS CB C 13 29.141 0.200 A 18 HIS N N 15 122.454 0.015 A 19 SER H H 1 8.464 0.002 A 19 SER HA H 1 4.436 0.020 A 19 SER HBx H 1 3.782 0.007 A 19 SER HBy H 1 3.864 0.005 A 19 SER N N 15 117.835 0.013 A 20 SER H H 1 8.552 0.002 A 20 SER HA H 1 4.440 0.005 A 20 SER HBx H 1 3.828 0.020 A 20 SER HBy H 1 3.868 0.001 A 20 SER N N 15 117.977 0.039 A 21 ASN H H 1 8.488 0.014 A 21 ASN HA H 1 4.633 0.020 A 21 ASN HBx H 1 2.681 0.020 A 21 ASN HBy H 1 2.711 0.020 A 21 ASN HD21 H 1 7.628 0.020 A 21 ASN HD22 H 1 6.973 0.020 A 21 ASN N N 15 120.295 0.060 A 21 ASN ND2 N 15 113.101 0.089 A 22 ASN H H 1 8.365 0.003 A 22 ASN HA H 1 4.634 0.009 A 22 ASN HBx H 1 2.617 0.008 A 22 ASN HBy H 1 2.715 0.003 A 22 ASN HD21 H 1 7.579 0.001 A 22 ASN HD22 H 1 6.914 0.020 A 22 ASN N N 15 118.947 0.054 A 22 ASN ND2 N 15 112.785 0.065 A 23 PHE H H 1 8.304 0.001 A 23 PHE HA H 1 4.527 0.001 A 23 PHE HBx H 1 3.014 0.002 A 23 PHE HBy H 1 3.163 0.005 A 23 PHE HDx H 1 7.220 0.010 A 23 PHE HDy H 1 7.220 0.010 A 23 PHE HEx H 1 7.324 0.001 A 23 PHE HEy H 1 7.324 0.001 A 23 PHE N N 15 120.680 0.048 A 24 GLY H H 1 8.371 0.001 A 24 GLY HAx H 1 3.798 0.020 A 24 GLY HAy H 1 3.868 0.001 A 24 GLY N N 15 110.477 0.015 A 25 ALA H H 1 8.049 0.020 A 25 ALA HA H 1 4.268 0.001 A 25 ALA HB% H 1 1.332 0.011 A 25 ALA CA C 13 52.494 0.200 A 25 ALA CB C 13 19.288 0.200 A 25 ALA N N 15 123.740 0.012 A 26 ILE H H 1 8.271 0.020 A 26 ILE HA H 1 4.524 0.020 A 26 ILE HB H 1 1.813 0.006 A 26 ILE HD1% H 1 0.823 0.001 A 26 ILE HG1x H 1 1.161 0.020 A 26 ILE HG1y H 1 1.470 0.020 A 26 ILE HG2% H 1 0.854 0.015 A 26 ILE CA C 13 61.051 0.200 A 26 ILE CB C 13 38.325 0.200 A 26 ILE CD1 C 13 12.691 0.200 A 26 ILE CG1 C 13 27.309 0.200 A 26 ILE CG2 C 13 17.426 0.200 A 26 ILE N N 15 120.913 0.004 A 27 LEU H H 1 8.491 0.020 A 27 LEU HA H 1 4.093 0.008 A 27 LEU HBy H 1 1.605 0.020 A 27 LEU HBx H 1 1.561 0.007 A 27 LEU HDx% H 1 0.824 0.020 A 27 LEU HDy% H 1 0.885 0.020 A 27 LEU HG H 1 1.624 0.020 A 27 LEU CA C 13 55.084 0.200 A 27 LEU CB C 13 42.172 0.200 A 27 LEU N N 15 127.308 0.006 A 28 SER H H 1 8.439 0.001 A 28 SER HA H 1 4.407 0.020 A 28 SER HBx H 1 3.822 0.004 A 28 SER HBy H 1 3.881 0.003 A 28 SER N N 15 117.197 0.025 A 29 SER H H 1 8.495 0.020 A 29 SER HA H 1 4.497 0.003 A 29 SER HBx H 1 3.843 0.005 A 29 SER HBy H 1 3.917 0.003 A 29 SER N N 15 118.045 0.200 A 30 THR H H 1 8.227 0.020 A 30 THR HA H 1 4.324 0.020 A 30 THR HB H 1 4.226 0.001 A 30 THR HG2% H 1 1.167 0.020 A 30 THR CA C 13 61.989 0.200 A 30 THR CB C 13 69.508 0.200 A 30 THR N N 15 115.309 0.015 A 31 ASN H H 1 8.473 0.020 A 31 ASN HA H 1 4.738 0.002 A 31 ASN HBx H 1 2.716 0.006 A 31 ASN HBy H 1 2.806 0.011 A 31 ASN HD21 H 1 7.649 0.020 A 31 ASN HD22 H 1 6.965 0.002 A 31 ASN N N 15 121.590 0.049 A 32 VAL H H 1 8.246 0.006 A 32 VAL HA H 1 4.082 0.020 A 32 VAL HB H 1 2.097 0.007 A 32 VAL HG1% H 1 0.909 0.015 A 32 VAL HG2% H 1 0.909 0.015 A 32 VAL CA C 13 62.722 0.200 A 32 VAL CB C 13 32.484 0.200 A 32 VAL N N 15 120.808 0.035 A 33 GLY H H 1 8.591 0.005 A 33 GLY HA2 H 1 3.966 0.020 A 33 GLY HA3 H 1 3.966 0.020 A 33 GLY N N 15 112.627 0.029 A 34 SER H H 1 8.288 0.002 A 34 SER HA H 1 4.410 0.020 A 34 SER HBx H 1 3.822 0.005 A 34 SER HBy H 1 3.862 0.006 A 34 SER N N 15 115.706 0.041 A 35 ASN H H 1 8.597 0.020 A 35 ASN HA H 1 4.736 0.020 A 35 ASN HBx H 1 2.728 0.001 A 35 ASN HBy H 1 2.758 0.020 A 35 ASN HD21 H 1 7.646 0.020 A 35 ASN HD22 H 1 7.646 0.020 A 35 ASN N N 15 120.865 0.075 A 36 THR H H 1 8.134 0.020 A 36 THR HA H 1 4.202 0.029 A 36 THR HB H 1 4.080 0.020 A 36 THR HG2% H 1 1.046 0.014 A 36 THR CA C 13 62.273 0.200 A 36 THR CB C 13 69.537 0.200 A 36 THR N N 15 114.523 0.011 A 37 TYC H H 1 8.210 0.002 A 37 TYC HA H 1 4.511 0.020 A 37 TYC HBy H 1 3.073 0.020 A 37 TYC HBx H 1 2.907 0.020 A 37 TYC HDx H 1 7.130 0.020 A 37 TYC HDy H 1 7.130 0.020 A 37 TYC HEx H 1 6.787 0.020 A 37 TYC HEy H 1 6.787 0.020 A 37 TYC HT21 H 1 7.159 0.020 A 37 TYC HT22 H 1 7.519 0.020 A 37 TYC CA C 13 57.666 0.200 A 37 TYC CB C 13 38.686 0.200 A 37 TYC N N 15 122.839 0.065 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 3 ASN H A 4 THR H 1.0 1.8 4.09 2 2 A 5 ALA H A 6 THR H 1.0 1.8 3.90 3 3 A 33 GLY H A 34 SER H 1.0 1.8 3.45 4 4 A 35 ASN H A 36 THR H 1.0 1.8 3.88 5 5 A 30 THR H A 31 ASN H 1.0 1.8 3.34 6 6 A 22 ASN HD21 A 23 PHE H 1.0 1.8 5.29 7 7 A 14 ASN H A 14 ASN HD21 1.0 1.8 4.34 8 8 A 14 ASN H A 14 ASN HD22 1.0 1.8 4.48 9 9 A 31 ASN H A 32 VAL H 1.0 1.8 3.95 10 10 A 34 SER H A 35 ASN H 1.0 1.8 3.92 11 11 A 30 THR H A 29 SER H 1.0 1.8 3.70 12 12 A 33 GLY H A 32 VAL H 1.0 1.8 3.56 13 13 A 4 THR H A 9 THR H 1.0 1.8 5.55 14 14 A 5 ALA H A 9 THR H 1.0 1.8 5.85 15 15 A 24 GLY H A 25 ALA H 1.0 1.8 3.73 16 16 A 17 VAL H A 18 HIS H 1.0 1.8 4.10 17 17 A 4 THR H A 6 THR H 1.0 1.8 4.70 18 18 A 4 THR H A 5 ALA H 1.0 1.8 4.58 19 19 A 21 ASN H A 21 ASN HD21 1.0 1.8 4.58 20 20 A 24 GLY H A 23 PHE HD% 1.0 1.8 4.62 21 21 A 15 PHE HD% A 16 LEU H 1.0 1.8 4.23 22 22 A 23 PHE H A 23 PHE HD% 1.0 1.8 4.01 23 23 A 15 PHE HD% A 15 PHE H 1.0 1.8 3.98 24 24 A 32 VAL H A 31 ASN HA 1.0 1.8 3.26 25 25 A 36 THR H A 35 ASN HA 1.0 1.8 3.42 26 26 A 33 GLY H A 31 ASN HA 1.0 1.8 4.56 27 27 A 18 HIS HA A 19 SER H 1.0 1.8 3.42 28 28 A 22 ASN HA A 22 ASN HD22 1.0 1.8 4.59 29 29 A 23 PHE H A 22 ASN HA 1.0 1.8 3.32 30 30 A 25 ALA H A 26 ILE HA 1.0 1.8 4.34 31 31 A 24 GLY H A 23 PHE HA 1.0 1.8 3.54 32 32 A 13 ALA H A 14 ASN HA 1.0 1.8 5.26 33 33 A 5 ALA H A 4 THR HA 1.0 1.8 3.14 34 34 A 16 LEU H A 15 PHE HA 1.0 1.8 3.51 35 35 A 7 CYS HA A 11 ARG H 1.0 1.8 4.83 36 36 A 17 VAL H A 14 ASN HA 1.0 1.8 4.34 37 37 A 30 THR H A 29 SER HA 1.0 1.8 3.37 38 38 A 9 THR H A 7 CYS HA 1.0 1.8 4.71 39 39 A 21 ASN H A 20 SER HA 1.0 1.8 3.43 40 40 A 31 ASN H A 30 THR HA 1.0 1.8 3.57 41 41 A 25 ALA HA A 26 ILE H 1.0 1.8 3.32 42 42 A 13 ALA H A 10 GLN HA 1.0 1.8 3.79 43 43 A 17 VAL H A 16 LEU HA 1.0 1.8 3.54 44 44 A 15 PHE H A 11 ARG HA 1.0 1.8 4.69 45 45 A 14 ASN HD22 A 11 ARG HA 1.0 1.8 4.49 46 46 A 11 ARG HA A 11 ARG HE 1.0 1.8 4.60 47 47 A 14 ASN HD21 A 10 GLN HA 1.0 1.8 4.44 48 48 A 10 GLN HA A 10 GLN HE21 1.0 1.8 4.38 49 49 A 10 GLN HA A 10 GLN HE22 1.0 1.8 4.43 50 50 A 18 HIS H A 17 VAL HA 1.0 1.8 3.43 51 51 A 34 SER H A 33 GLY HA2 1.0 1.8 3.12 52 51 A 34 SER H A 33 GLY HA3 1.0 1.8 3.12 53 52 A 31 ASN H A 29 SER HBx 1.0 1.8 5.26 54 53 A 35 ASN H A 34 SER HBy 1.0 1.8 4.26 55 54 A 29 SER H A 28 SER HBy 1.0 1.8 3.93 56 55 A 24 GLY HAy A 28 SER H 1.0 1.8 3.41 57 56 A 30 THR H A 28 SER HBy 1.0 1.8 3.89 58 57 A 24 GLY HAy A 27 LEU H 1.0 1.8 4.39 59 58 A 21 ASN H A 20 SER HBx 1.0 1.8 3.76 60 59 A 20 SER HBx A 20 SER H 1.0 1.8 3.39 61 60 A 4 THR H A 2 CYS HBy 1.0 1.8 4.12 62 61 A 3 ASN H A 2 CYS HBy 1.0 1.8 4.29 63 62 A 7 CYS HBy A 8 ALA H 1.0 1.8 3.98 64 63 A 7 CYS HBy A 7 CYS H 1.0 1.8 3.91 65 64 A 24 GLY H A 23 PHE HBy 1.0 1.8 4.15 66 65 A 18 HIS H A 18 HIS HBx 1.0 1.8 3.63 67 66 A 11 ARG H A 11 ARG HD2 1.0 1.8 4.27 68 66 A 11 ARG H A 11 ARG HD3 1.0 1.8 4.27 69 67 A 17 VAL H A 15 PHE HBy 1.0 1.8 5.61 70 68 A 17 VAL H A 18 HIS HBx 1.0 1.8 6.00 71 69 A 23 PHE H A 23 PHE HBy 1.0 1.8 3.60 72 70 A 20 SER H A 23 PHE HBy 1.0 1.8 4.68 73 71 A 10 GLN H A 11 ARG HD2 1.0 1.8 5.63 74 71 A 11 ARG HD3 A 10 GLN H 1.0 1.8 5.63 75 72 A 14 ASN H A 15 PHE HBy 1.0 1.8 4.51 76 73 A 3 ASN H A 2 CYS HBx 1.0 1.8 4.40 77 74 A 4 THR H A 7 CYS HBx 1.0 1.8 4.11 78 75 A 6 THR H A 7 CYS HBx 1.0 1.8 4.70 79 76 A 7 CYS H A 7 CYS HBx 1.0 1.8 3.84 80 77 A 24 GLY H A 23 PHE HBx 1.0 1.8 4.18 81 78 A 23 PHE H A 23 PHE HBx 1.0 1.8 3.51 82 79 A 4 THR H A 3 ASN HB2 1.0 1.8 4.09 83 79 A 4 THR H A 3 ASN HB3 1.0 1.8 4.09 84 80 A 3 ASN H A 3 ASN HB2 1.0 1.8 4.03 85 80 A 3 ASN H A 3 ASN HB3 1.0 1.8 4.03 86 81 A 3 ASN HD22 A 3 ASN HB2 1.0 1.8 3.84 87 81 A 3 ASN HB3 A 3 ASN HD22 1.0 1.8 3.84 88 82 A 3 ASN HD21 A 3 ASN HB2 1.0 1.8 3.56 89 82 A 3 ASN HB3 A 3 ASN HD21 1.0 1.8 3.56 90 83 A 35 ASN H A 35 ASN HBx 1.0 1.8 3.63 91 84 A 35 ASN H A 35 ASN HBy 1.0 1.8 4.16 92 85 A 34 SER H A 35 ASN HBx 1.0 1.8 4.70 93 86 A 36 THR H A 35 ASN HBy 1.0 1.8 5.20 94 87 A 13 ALA H A 14 ASN HB2 1.0 1.8 4.65 95 87 A 13 ALA H A 14 ASN HB3 1.0 1.8 4.65 96 88 A 12 LEU H A 14 ASN HB2 1.0 1.8 5.48 97 88 A 14 ASN HB3 A 12 LEU H 1.0 1.8 5.48 98 89 A 16 LEU H A 14 ASN HB2 1.0 1.8 4.60 99 89 A 16 LEU H A 14 ASN HB3 1.0 1.8 4.60 100 90 A 15 PHE H A 14 ASN HB2 1.0 1.8 3.69 101 90 A 15 PHE H A 14 ASN HB3 1.0 1.8 3.69 102 91 A 20 SER H A 21 ASN HBx 1.0 1.8 4.45 103 92 A 14 ASN H A 14 ASN HB2 1.0 1.8 3.30 104 92 A 14 ASN H A 14 ASN HB3 1.0 1.8 3.30 105 93 A 14 ASN HD21 A 14 ASN HB2 1.0 1.8 3.79 106 93 A 14 ASN HD21 A 14 ASN HB3 1.0 1.8 3.79 107 94 A 14 ASN HD22 A 14 ASN HB2 1.0 1.8 3.91 108 94 A 14 ASN HD22 A 14 ASN HB3 1.0 1.8 3.91 109 95 A 21 ASN H A 21 ASN HBx 1.0 1.8 3.36 110 96 A 21 ASN HBx A 22 ASN H 1.0 1.8 3.90 111 97 A 22 ASN HD21 A 22 ASN HBy 1.0 1.8 3.87 112 98 A 10 GLN H A 10 GLN HGx 1.0 1.8 3.75 113 99 A 11 ARG H A 10 GLN HGx 1.0 1.8 4.33 114 100 A 10 GLN HE21 A 10 GLN HGx 1.0 1.8 3.81 115 101 A 10 GLN HE22 A 10 GLN HGx 1.0 1.8 4.05 116 102 A 32 VAL H A 32 VAL HB 1.0 1.8 3.66 117 103 A 33 GLY H A 32 VAL HB 1.0 1.8 4.20 118 104 A 10 GLN H A 10 GLN HBx 1.0 1.8 3.36 119 105 A 11 ARG H A 10 GLN HBx 1.0 1.8 3.81 120 106 A 9 THR H A 10 GLN HBx 1.0 1.8 5.12 121 107 A 10 GLN HE21 A 10 GLN HBx 1.0 1.8 4.63 122 108 A 13 ALA H A 10 GLN HBx 1.0 1.8 5.96 123 109 A 18 HIS H A 17 VAL HB 1.0 1.8 4.03 124 110 A 17 VAL H A 17 VAL HB 1.0 1.8 3.62 125 111 A 25 ALA H A 26 ILE HB 1.0 1.8 5.28 126 112 A 26 ILE H A 26 ILE HB 1.0 1.8 3.54 127 113 A 27 LEU H A 26 ILE HB 1.0 1.8 4.09 128 114 A 10 GLN H A 11 ARG HB2 1.0 1.8 4.75 129 114 A 10 GLN H A 11 ARG HB3 1.0 1.8 4.75 130 115 A 11 ARG H A 11 ARG HB2 1.0 1.8 3.38 131 115 A 11 ARG H A 11 ARG HB3 1.0 1.8 3.38 132 116 A 9 THR H A 11 ARG HB2 1.0 1.8 5.62 133 116 A 9 THR H A 11 ARG HB3 1.0 1.8 5.62 134 117 A 11 ARG HE A 11 ARG HB2 1.0 1.8 4.42 135 117 A 11 ARG HE A 11 ARG HB3 1.0 1.8 4.42 136 118 A 10 GLN H A 11 ARG HGy 1.0 1.8 5.54 137 119 A 10 GLN H A 12 LEU HBy 1.0 1.8 5.86 138 120 A 12 LEU H A 12 LEU HBy 1.0 1.8 3.37 139 121 A 27 LEU H A 27 LEU HBy 1.0 1.8 3.31 140 122 A 29 SER H A 27 LEU HBx 1.0 1.8 5.58 141 123 A 28 SER H A 27 LEU HBy 1.0 1.8 3.95 142 124 A 15 PHE H A 16 LEU HBx 1.0 1.8 5.13 143 125 A 16 LEU H A 16 LEU HBx 1.0 1.8 3.48 144 126 A 17 VAL H A 16 LEU HBx 1.0 1.8 4.48 145 127 A 6 THR H A 5 ALA HB% 1.0 1.8 3.59 146 128 A 5 ALA H A 5 ALA HB% 1.0 1.8 3.21 147 129 A 4 THR H A 8 ALA HB% 1.0 1.8 4.45 148 130 A 8 ALA H A 8 ALA HB% 1.0 1.8 3.19 149 131 A 7 CYS H A 8 ALA HB% 1.0 1.8 4.27 150 132 A 9 THR H A 8 ALA HB% 1.0 1.8 3.53 151 133 A 13 ALA H A 13 ALA HB% 1.0 1.8 3.26 152 134 A 25 ALA H A 25 ALA HB% 1.0 1.8 3.00 153 135 A 26 ILE H A 25 ALA HB% 1.0 1.8 3.56 154 136 A 23 PHE H A 25 ALA HB% 1.0 1.8 4.50 155 137 A 15 PHE H A 13 ALA HB% 1.0 1.8 4.64 156 138 A 22 ASN H A 25 ALA HB% 1.0 1.8 4.56 157 139 A 14 ASN H A 13 ALA HB% 1.0 1.8 3.57 158 140 A 22 ASN HD22 A 25 ALA HB% 1.0 1.8 4.47 159 141 A 3 ASN H A 4 THR HG2% 1.0 1.8 4.34 160 142 A 5 ALA H A 4 THR HG2% 1.0 1.8 3.63 161 143 A 10 GLN H A 9 THR HG2% 1.0 1.8 3.97 162 144 A 7 CYS H A 9 THR HG2% 1.0 1.8 4.09 163 145 A 9 THR H A 9 THR HG2% 1.0 1.8 3.71 164 146 A 6 THR H A 6 THR HG2% 1.0 1.8 3.89 165 147 A 10 GLN HE21 A 6 THR HG2% 1.0 1.8 4.35 166 148 A 31 ASN H A 30 THR HG2% 1.0 1.8 4.09 167 149 A 26 ILE H A 26 ILE HG1x 1.0 1.8 3.89 168 150 A 29 SER H A 30 THR HG2% 1.0 1.8 4.62 169 151 A 30 THR H A 30 THR HG2% 1.0 1.8 3.68 170 152 A 27 LEU H A 26 ILE HG1x 1.0 1.8 4.54 171 153 A 36 THR H A 36 THR HG2% 1.0 1.8 4.01 172 154 A 32 VAL H A 32 VAL HG2% 1.0 1.8 3.26 173 155 A 34 SER H A 32 VAL HG1% 1.0 1.8 6.00 174 156 A 33 GLY H A 32 VAL HG1% 1.0 1.8 4.46 175 157 A 33 GLY H A 32 VAL HG2% 1.0 1.8 4.60 176 158 A 24 GLY H A 26 ILE HG2% 1.0 1.8 4.22 177 159 A 13 ALA H A 16 LEU HDy% 1.0 1.8 4.23 178 160 A 12 LEU H A 12 LEU HDx% 1.0 1.8 3.88 179 161 A 16 LEU H A 16 LEU HDy% 1.0 1.8 3.51 180 162 A 17 VAL H A 16 LEU HDy% 1.0 1.8 3.47 181 163 A 15 PHE H A 16 LEU HDy% 1.0 1.8 3.84 182 164 A 29 SER H A 26 ILE HG2% 1.0 1.8 5.28 183 165 A 14 ASN H A 16 LEU HDy% 1.0 1.8 4.20 184 166 A 22 ASN HD21 A 26 ILE HG2% 1.0 1.8 4.49 185 167 A 22 ASN HD22 A 26 ILE HG2% 1.0 1.8 4.56 186 168 A 25 ALA H A 26 ILE HG2% 1.0 1.8 4.06 187 169 A 23 PHE H A 26 ILE HG2% 1.0 1.8 4.73 188 170 A 22 ASN H A 26 ILE HG2% 1.0 1.8 4.54 189 171 A 28 SER H A 26 ILE HG2% 1.0 1.8 4.17 190 172 A 27 LEU H A 26 ILE HG2% 1.0 1.8 3.47 191 173 A 6 THR H A 7 CYS HBy 1.0 1.8 4.71 192 174 A 25 ALA H A 23 PHE HBy 1.0 1.8 5.70 193 175 A 25 ALA H A 23 PHE HBx 1.0 1.8 6.00 194 176 A 5 ALA H A 7 CYS HBy 1.0 1.8 5.85 195 177 A 5 ALA H A 7 CYS HBx 1.0 1.8 6.00 196 178 A 11 ARG H A 10 GLN HE21 1.0 1.8 5.62 197 179 A 11 ARG H A 11 ARG HE 1.0 1.8 5.06 198 180 A 14 ASN HD22 A 11 ARG H 1.0 1.8 5.89 199 181 A 31 ASN H A 31 ASN HD21 1.0 1.8 4.74 200 182 A 31 ASN H A 32 VAL HB 1.0 1.8 5.07 201 183 A 17 VAL H A 18 HIS HD2 1.0 1.8 4.88 202 184 A 17 VAL H A 14 ASN HB2 1.0 1.8 4.77 203 184 A 17 VAL H A 14 ASN HB3 1.0 1.8 4.77 204 185 A 35 ASN H A 36 THR HG2% 1.0 1.8 5.02 205 186 A 7 CYS H A 10 GLN HGy 1.0 1.8 5.69 206 187 A 7 CYS H A 10 GLN HBx 1.0 1.8 5.60 207 188 A 35 ASN H A 35 ASN HD21 1.0 1.8 4.85 208 188 A 35 ASN H A 35 ASN HD22 1.0 1.8 4.85 209 189 A 21 ASN H A 23 PHE HBy 1.0 1.8 5.01 210 190 A 15 PHE H A 17 VAL HB 1.0 1.8 4.88 211 191 A 14 ASN HD21 A 15 PHE H 1.0 1.8 4.86 212 192 A 22 ASN HD22 A 22 ASN H 1.0 1.8 4.86 213 193 A 14 ASN H A 15 PHE HD% 1.0 1.8 5.63 214 194 A 34 SER H A 31 ASN HA 1.0 1.8 5.65 215 195 A 34 SER H A 35 ASN HA 1.0 1.8 6.00 216 196 A 9 THR H A 10 GLN HGx 1.0 1.8 4.94 217 197 A 9 THR H A 11 ARG HD2 1.0 1.8 5.79 218 197 A 9 THR H A 11 ARG HD3 1.0 1.8 5.79 219 198 A 14 ASN HD21 A 13 ALA HB% 1.0 1.8 4.89 220 199 A 3 ASN HD21 A 4 THR HG2% 1.0 1.8 6.00 221 200 A 14 ASN HD21 A 10 GLN HBx 1.0 1.8 6.00 222 201 A 21 ASN HD21 A 20 SER HBx 1.0 1.8 5.03 223 202 A 14 ASN HD22 A 13 ALA HB% 1.0 1.8 4.95 224 203 A 14 ASN HD22 A 14 ASN HA 1.0 1.8 4.72 225 204 A 24 GLY H A 27 LEU HBy 1.0 1.8 5.47 226 205 A 5 ALA H A 8 ALA H 1.0 1.8 5.26 227 206 A 8 ALA H A 7 CYS HBx 1.0 1.8 3.98 228 207 A 18 HIS H A 16 LEU HA 1.0 1.8 4.73 229 208 A 21 ASN H A 21 ASN HD22 1.0 1.8 4.87 230 209 A 11 ARG H A 14 ASN HB2 1.0 1.8 5.41 231 209 A 11 ARG H A 14 ASN HB3 1.0 1.8 5.41 232 210 A 8 ALA H A 4 THR HG2% 1.0 1.8 4.27 233 211 A 9 THR H A 7 CYS HBy 1.0 1.8 4.92 234 212 A 7 CYS HBy A 10 GLN H 1.0 1.8 5.56 235 213 A 11 ARG H A 11 ARG HGy 1.0 1.8 4.15 236 214 A 12 LEU H A 11 ARG HB2 1.0 1.8 3.74 237 214 A 12 LEU H A 11 ARG HB3 1.0 1.8 3.74 238 215 A 14 ASN H A 11 ARG HB2 1.0 1.8 5.00 239 215 A 14 ASN H A 11 ARG HB3 1.0 1.8 5.00 240 216 A 15 PHE H A 11 ARG HB2 1.0 1.8 5.25 241 216 A 15 PHE H A 11 ARG HB3 1.0 1.8 5.25 242 217 A 14 ASN H A 15 PHE H 1.0 1.8 3.54 243 218 A 16 LEU H A 16 LEU HBy 1.0 1.8 4.01 244 219 A 17 VAL H A 16 LEU HBy 1.0 1.8 4.66 245 220 A 18 HIS H A 14 ASN HA 1.0 1.8 4.84 246 221 A 19 SER H A 16 LEU HA 1.0 1.8 4.69 247 222 A 29 SER H A 27 LEU HA 1.0 1.8 4.69 248 223 A 23 PHE HBx A 22 ASN H 1.0 1.8 4.92 249 224 A 25 ALA H A 22 ASN HA 1.0 1.8 4.39 250 225 A 26 ILE H A 26 ILE HG2% 1.0 1.8 3.53 251 226 A 26 ILE H A 27 LEU H 1.0 1.8 3.89 252 227 A 28 SER H A 25 ALA HB% 1.0 1.8 5.01 253 228 A 28 SER H A 26 ILE HG1x 1.0 1.8 5.98 254 229 A 28 SER H A 30 THR HG2% 1.0 1.8 6.00 255 230 A 28 SER H A 26 ILE HB 1.0 1.8 5.95 256 231 A 33 GLY H A 32 VAL HA 1.0 1.8 3.57 257 232 A 36 THR H A 36 THR HB 1.0 1.8 3.88 258 233 A 3 ASN H A 8 ALA HB% 1.0 1.8 5.03 259 234 A 22 ASN HD21 A 21 ASN H 1.0 1.8 6.00 260 235 A 20 SER H A 18 HIS HD2 1.0 1.8 6.00 261 236 A 23 PHE HD% A 20 SER H 1.0 1.8 6.00 262 237 A 19 SER H A 18 HIS HD2 1.0 1.8 4.71 263 238 A 4 THR H A 7 CYS H 1.0 1.8 4.91 264 239 A 10 GLN HE22 A 10 GLN H 1.0 1.8 5.13 265 240 A 10 GLN HE21 A 10 GLN H 1.0 1.8 5.27 266 241 A 12 LEU H A 12 LEU HDy% 1.0 1.8 4.27 267 242 A 18 HIS HA A 18 HIS HD2 1.0 1.8 4.16 268 243 A 23 PHE HD% A 22 ASN HA 1.0 1.8 4.91 269 244 A 16 LEU H A 14 ASN HA 1.0 1.8 4.44 270 245 A 14 ASN HA A 18 HIS HD2 1.0 1.8 5.32 271 246 A 14 ASN HD21 A 14 ASN HA 1.0 1.8 4.36 272 247 A 23 PHE HD% A 23 PHE HA 1.0 1.8 3.47 273 248 A 7 CYS HA A 10 GLN H 1.0 1.8 4.25 274 249 A 6 THR H A 4 THR HB 1.0 1.8 4.19 275 250 A 15 PHE HD% A 16 LEU HA 1.0 1.8 4.27 276 251 A 31 ASN H A 30 THR HB 1.0 1.8 4.57 277 252 A 14 ASN HD21 A 11 ARG HA 1.0 1.8 4.25 278 253 A 14 ASN H A 13 ALA HA 1.0 1.8 3.51 279 254 A 7 CYS H A 5 ALA HA 1.0 1.8 4.42 280 255 A 7 CYS H A 6 THR HB 1.0 1.8 4.67 281 256 A 6 THR H A 6 THR HB 1.0 1.8 3.86 282 257 A 20 SER H A 20 SER HBy 1.0 1.8 4.00 283 258 A 23 PHE HD% A 19 SER HBy 1.0 1.8 4.36 284 259 A 29 SER H A 28 SER HBx 1.0 1.8 4.75 285 260 A 3 ASN H A 7 CYS HBy 1.0 1.8 4.86 286 261 A 18 HIS H A 18 HIS HBy 1.0 1.8 4.17 287 262 A 23 PHE HBy A 22 ASN H 1.0 1.8 4.57 288 263 A 15 PHE H A 15 PHE HBy 1.0 1.8 3.98 289 264 A 15 PHE H A 15 PHE HBx 1.0 1.8 4.02 290 265 A 22 ASN HD22 A 21 ASN HBy 1.0 1.8 4.54 291 266 A 22 ASN H A 22 ASN HBy 1.0 1.8 3.94 292 267 A 23 PHE HD% A 22 ASN HBy 1.0 1.8 4.45 293 268 A 21 ASN HBx A 21 ASN HD22 1.0 1.8 4.00 294 269 A 22 ASN H A 22 ASN HBx 1.0 1.8 4.04 295 270 A 13 ALA H A 12 LEU HBy 1.0 1.8 4.25 296 271 A 15 PHE HD% A 12 LEU HBx 1.0 1.8 5.13 297 272 A 15 PHE HD% A 16 LEU HBy 1.0 1.8 5.36 298 273 A 15 PHE HD% A 16 LEU HBx 1.0 1.8 4.41 299 274 A 17 VAL H A 17 VAL HGy% 1.0 1.8 3.78 300 275 A 34 SER H A 32 VAL HG2% 1.0 1.8 4.28 301 276 A 14 ASN HD21 A 17 VAL HGx% 1.0 1.8 4.16 302 277 A 15 PHE HE% A 16 LEU HDx% 1.0 1.8 3.68 303 278 A 18 HIS HD2 A 17 VAL HGx% 1.0 1.8 3.97 304 279 A 15 PHE HD% A 16 LEU HDx% 1.0 1.8 3.50 305 280 A 8 ALA HA A 11 ARG HD2 1.0 1.8 4.28 306 280 A 11 ARG HD3 A 8 ALA HA 1.0 1.8 4.28 307 281 A 11 ARG HA A 11 ARG HD2 1.0 1.8 4.65 308 281 A 11 ARG HA A 11 ARG HD3 1.0 1.8 4.65 309 282 A 11 ARG HA A 14 ASN HB2 1.0 1.8 4.25 310 282 A 11 ARG HA A 14 ASN HB3 1.0 1.8 4.25 311 283 A 19 SER H A 19 SER HBy 1.0 1.8 4.21 312 284 A 21 ASN H A 20 SER HBy 1.0 1.8 4.73 313 285 A 22 ASN H A 19 SER HA 1.0 1.8 4.86 314 286 A 20 SER HA A 22 ASN H 1.0 1.8 5.01 315 287 A 21 ASN HD21 A 21 ASN HBx 1.0 1.8 3.69 316 288 A 29 SER HA A 30 THR HG2% 1.0 1.8 4.53 317 289 A 6 THR HG2% A 6 THR HA 1.0 1.8 3.44 318 290 A 28 SER HBx A 27 LEU HDx% 1.0 1.8 4.55 319 291 A 17 VAL HGx% A 19 SER HBx 1.0 1.8 5.35 320 292 A 27 LEU HDx% A 24 GLY HAx 1.0 1.8 5.82 321 293 A 22 ASN HBy A 19 SER HA 1.0 1.8 5.28 322 294 A 1 LYS HE3 A 1 LYS HG2 1.0 1.8 4.10 323 294 A 1 LYS HG3 A 1 LYS HE2 1.0 1.8 4.10 324 294 A 1 LYS HG3 A 1 LYS HE3 1.0 1.8 4.10 325 294 A 1 LYS HE2 A 1 LYS HG2 1.0 1.8 4.10 326 295 A 18 HIS HBx A 17 VAL HGx% 1.0 1.8 4.12 327 296 A 10 GLN HA A 10 GLN HGy 1.0 1.8 4.19 328 297 A 10 GLN HA A 10 GLN HGx 1.0 1.8 4.22 329 298 A 18 HIS H A 17 VAL HGy% 1.0 1.8 4.09 330 299 A 18 HIS H A 17 VAL HGx% 1.0 1.8 4.03 331 300 A 27 LEU H A 27 LEU HDy% 1.0 1.8 4.40 332 301 A 19 SER H A 17 VAL HGx% 1.0 1.8 4.15 333 302 A 31 ASN H A 32 VAL HG2% 1.0 1.8 4.33 334 303 A 24 GLY H A 25 ALA HB% 1.0 1.8 4.23 335 304 A 14 ASN H A 17 VAL HGx% 1.0 1.8 4.84 336 305 A 26 ILE H A 26 ILE HD1% 1.0 1.8 5.24 337 306 A 16 LEU H A 16 LEU HDx% 1.0 1.8 4.57 338 307 A 16 LEU H A 17 VAL HGx% 1.0 1.8 4.80 339 308 A 4 THR H A 4 THR HG2% 1.0 1.8 3.55 340 309 A 4 THR HG2% A 2 CYS HA 1.0 1.8 4.76 341 310 A 4 THR HG2% A 3 ASN HA 1.0 1.8 5.26 342 311 A 22 ASN HA A 25 ALA HB% 1.0 1.8 4.31 343 312 A 14 ASN HA A 17 VAL HGy% 1.0 1.8 3.90 344 313 A 14 ASN HA A 13 ALA HB% 1.0 1.8 4.32 345 314 A 26 ILE HA A 26 ILE HD1% 1.0 1.8 3.99 346 315 A 26 ILE HA A 26 ILE HG1y 1.0 1.8 3.99 347 316 A 4 THR HA A 8 ALA HB% 1.0 1.8 4.46 348 317 A 7 CYS HA A 6 THR HG2% 1.0 1.8 4.80 349 318 A 27 LEU HG A 28 SER HA 1.0 1.8 4.24 350 319 A 27 LEU HDx% A 28 SER HA 1.0 1.8 3.60 351 320 A 30 THR HA A 30 THR HG2% 1.0 1.8 3.58 352 321 A 12 LEU HDx% A 12 LEU HA 1.0 1.8 3.98 353 322 A 11 ARG HGy A 8 ALA HA 1.0 1.8 4.49 354 323 A 12 LEU HBy A 9 THR HA 1.0 1.8 4.83 355 324 A 16 LEU HA A 16 LEU HDy% 1.0 1.8 3.87 356 325 A 16 LEU HA A 16 LEU HDx% 1.0 1.8 4.17 357 326 A 12 LEU HDy% A 12 LEU HA 1.0 1.8 3.75 358 327 A 4 THR HG2% A 6 THR HB 1.0 1.8 4.04 359 328 A 9 THR HG2% A 5 ALA HA 1.0 1.8 3.66 360 329 A 36 THR HA A 36 THR HG2% 1.0 1.8 3.87 361 330 A 27 LEU HA A 27 LEU HDx% 1.0 1.8 4.03 362 331 A 32 VAL HG1% A 32 VAL HA 1.0 1.8 3.57 363 332 A 17 VAL HA A 17 VAL HGy% 1.0 1.8 3.41 364 333 A 17 VAL HA A 17 VAL HGx% 1.0 1.8 3.59 365 334 A 24 GLY HAy A 27 LEU HDy% 1.0 1.8 4.42 366 335 A 24 GLY HAy A 27 LEU HDx% 1.0 1.8 4.24 367 336 A 25 ALA HB% A 24 GLY HAx 1.0 1.8 4.45 368 337 A 7 CYS HBy A 4 THR HG2% 1.0 1.8 4.34 369 338 A 15 PHE HBy A 12 LEU HDy% 1.0 1.8 4.32 370 339 A 18 HIS HBx A 17 VAL HGy% 1.0 1.8 4.64 371 340 A 4 THR HG2% A 3 ASN HB2 1.0 1.8 5.14 372 340 A 3 ASN HB3 A 4 THR HG2% 1.0 1.8 5.14 373 341 A 17 VAL HGy% A 14 ASN HB2 1.0 1.8 4.65 374 341 A 14 ASN HB3 A 17 VAL HGy% 1.0 1.8 4.65 375 342 A 26 ILE HB A 26 ILE HD1% 1.0 1.8 3.85 376 343 A 12 LEU HBy A 12 LEU HDx% 1.0 1.8 3.52 377 344 A 12 LEU HBy A 12 LEU HDy% 1.0 1.8 3.65 378 345 A 16 LEU HBy A 16 LEU HDx% 1.0 1.8 3.36 379 346 A 16 LEU HBx A 16 LEU HDy% 1.0 1.8 3.37 380 347 A 16 LEU HBx A 16 LEU HDx% 1.0 1.8 3.72 381 348 A 13 ALA HB% A 17 VAL HGy% 1.0 1.8 4.36 382 349 A 13 ALA HB% A 16 LEU HDy% 1.0 1.8 4.45 383 350 A 25 ALA HB% A 26 ILE HG2% 1.0 1.8 4.62 384 351 A 30 THR HG2% A 32 VAL HG2% 1.0 1.8 5.06 385 352 A 26 ILE HG1x A 26 ILE HG2% 1.0 1.8 3.74 386 353 A 10 GLN H A 10 GLN HGy 1.0 1.8 4.58 387 354 A 7 CYS H A 4 THR HG2% 1.0 1.8 4.54 388 355 A 10 GLN HE22 A 6 THR HG2% 1.0 1.8 4.87 389 356 A 11 ARG HE A 8 ALA HA 1.0 1.8 5.63 390 357 A 16 LEU HA A 15 PHE HE% 1.0 1.8 4.88 391 358 A 18 HIS H A 19 SER H 1.0 1.8 4.29 392 359 A 21 ASN H A 22 ASN H 1.0 1.8 3.86 393 360 A 6 THR H A 8 ALA H 1.0 1.8 4.82 394 361 A 6 THR H A 7 CYS H 1.0 1.8 4.32 395 362 A 19 SER H A 18 HIS HBx 1.0 1.8 4.63 396 363 A 16 LEU HBy A 15 PHE HE% 1.0 1.8 4.97 397 364 A 16 LEU HBx A 15 PHE HE% 1.0 1.8 4.87 398 365 A 17 VAL H A 17 VAL HGx% 1.0 1.8 4.01 399 366 A 28 SER H A 27 LEU HDx% 1.0 1.8 4.47 400 367 A 24 GLY H A 27 LEU HDx% 1.0 1.8 5.26 401 368 A 27 LEU H A 25 ALA HB% 1.0 1.8 4.52 402 369 A 22 ASN HD21 A 22 ASN HA 1.0 1.8 4.38 403 370 A 23 PHE HD% A 19 SER HA 1.0 1.8 5.08 404 371 A 23 PHE HD% A 20 SER HA 1.0 1.8 5.24 405 372 A 11 ARG HB3 A 11 ARG HD2 1.0 1.8 4.14 406 372 A 11 ARG HB2 A 11 ARG HD2 1.0 1.8 4.14 407 372 A 11 ARG HD3 A 11 ARG HB2 1.0 1.8 4.14 408 372 A 11 ARG HD3 A 11 ARG HB3 1.0 1.8 4.14 409 373 A 6 THR HG2% A 10 GLN HGy 1.0 1.8 4.58 410 374 A 26 ILE H A 26 ILE HG1y 1.0 1.8 4.70 411 375 A 2 CYS HBy A 8 ALA HA 1.0 1.8 4.89 412 376 A 7 CYS HBy A 8 ALA HA 1.0 1.8 5.53 413 377 A 19 SER H A 18 HIS HBy 1.0 1.8 4.62 414 378 A 18 HIS HBy A 17 VAL HGx% 1.0 1.8 4.67 415 379 A 13 ALA HB% A 14 ASN HB2 1.0 1.8 4.67 416 379 A 14 ASN HB3 A 13 ALA HB% 1.0 1.8 4.67 417 380 A 25 ALA HB% A 21 ASN HBy 1.0 1.8 5.09 418 381 A 10 GLN HGx A 6 THR HG2% 1.0 1.8 4.83 419 382 A 2 CYS HBx A 1 LYS HA 1.0 1.8 4.66 420 383 A 2 CYS HBy A 1 LYS HA 1.0 1.8 6.00 421 384 A 2 CYS HA A 1 LYS HA 1.0 1.8 4.68 422 385 A 14 ASN HD21 A 11 ARG HD2 1.0 1.8 6.00 423 385 A 14 ASN HD21 A 11 ARG HD3 1.0 1.8 6.00 424 386 A 14 ASN HD21 A 15 PHE HBy 1.0 1.8 6.00 425 387 A 20 SER HA A 23 PHE HBy 1.0 1.8 4.66 426 388 A 23 PHE HD% A 19 SER HBx 1.0 1.8 5.00 427 389 A 30 THR H A 29 SER HBy 1.0 1.8 4.88 428 390 A 30 THR H A 28 SER HBx 1.0 1.8 5.01 429 391 A 8 ALA HB% A 5 ALA HA 1.0 1.8 3.51 430 392 A 17 VAL HA A 18 HIS HD2 1.0 1.8 5.32 431 393 A 7 CYS HBy A 6 THR HB 1.0 1.8 5.22 432 394 A 26 ILE HG2% A 27 LEU HA 1.0 1.8 3.90 433 395 A 4 THR HA A 4 THR HG2% 1.0 1.8 3.34 434 396 A 25 ALA H A 26 ILE H 1.0 1.8 4.14 435 397 A 28 SER H A 27 LEU HG 1.0 1.8 4.66 436 398 A 28 SER H A 27 LEU HBx 1.0 1.8 4.66 437 399 A 20 SER HBx A 21 ASN HBy 1.0 1.8 6.00 438 400 A 22 ASN HBy A 19 SER HBy 1.0 1.8 5.09 439 401 A 27 LEU HDy% A 28 SER HA 1.0 1.8 4.94 440 402 A 23 PHE HD% A 22 ASN H 1.0 1.8 4.39 441 403 A 4 THR HG2% A 6 THR HA 1.0 1.8 4.41 442 404 A 2 CYS HBx A 4 THR HG2% 1.0 1.8 5.38 443 405 A 7 CYS HBx A 4 THR HG2% 1.0 1.8 4.56 444 406 A 5 ALA HB% A 4 THR HG2% 1.0 1.8 4.37 445 407 A 16 LEU H A 15 PHE HE% 1.0 1.8 5.24 446 408 A 18 HIS HD2 A 17 VAL HGy% 1.0 1.8 4.14 447 409 A 8 ALA HB% A 11 ARG HD2 1.0 1.8 4.91 448 409 A 11 ARG HD3 A 8 ALA HB% 1.0 1.8 4.91 449 410 A 1 LYS HA A 1 LYS HD2 1.0 1.8 4.79 450 410 A 1 LYS HA A 1 LYS HD3 1.0 1.8 4.79 451 411 A 12 LEU HDy% A 9 THR HA 1.0 1.8 4.80 452 412 A 14 ASN HD21 A 17 VAL HGy% 1.0 1.8 4.46 453 413 A 27 LEU HBx A 28 SER HA 1.0 1.8 4.95 454 414 A 11 ARG H A 11 ARG HGx 1.0 1.8 4.76 455 415 A 11 ARG HD3 A 14 ASN HB2 1.0 1.8 5.32 456 415 A 11 ARG HD2 A 14 ASN HB2 1.0 1.8 5.32 457 415 A 14 ASN HB3 A 11 ARG HD2 1.0 1.8 5.32 458 415 A 11 ARG HD3 A 14 ASN HB3 1.0 1.8 5.32 459 416 A 15 PHE HBy A 14 ASN HB2 1.0 1.8 5.53 460 416 A 15 PHE HBy A 14 ASN HB3 1.0 1.8 5.53 461 417 A 17 VAL HGx% A 14 ASN HB2 1.0 1.8 4.31 462 417 A 14 ASN HB3 A 17 VAL HGx% 1.0 1.8 4.31 463 418 A 4 THR H A 7 CYS HBy 1.0 1.8 5.19 464 419 A 11 ARG H A 10 GLN HBy 1.0 1.8 4.58 465 420 A 23 PHE H A 23 PHE HE% 1.0 1.8 5.33 466 421 A 4 THR HA A 5 ALA HB% 1.0 1.8 4.28 467 422 A 7 CYS H A 6 THR HG2% 1.0 1.8 4.27 468 423 A 13 ALA H A 12 LEU HBx 1.0 1.8 4.47 469 424 A 12 LEU H A 11 ARG HD2 1.0 1.8 4.84 470 424 A 11 ARG HD3 A 12 LEU H 1.0 1.8 4.84 471 425 A 12 LEU HDy% A 12 LEU HBx 1.0 1.8 3.69 472 426 A 26 ILE HB A 27 LEU HA 1.0 1.8 5.75 473 427 A 27 LEU HA A 26 ILE HG1y 1.0 1.8 4.76 474 428 A 6 THR H A 4 THR HG2% 1.0 1.8 4.36 475 429 A 25 ALA HB% A 22 ASN HBx 1.0 1.8 5.29 476 430 A 2 CYS HBy A 8 ALA HB% 1.0 1.8 4.83 477 431 A 7 CYS HBy A 8 ALA HB% 1.0 1.8 5.32 478 432 A 5 ALA HB% A 9 THR HG2% 1.0 1.8 4.13 479 433 A 23 PHE HD% A 19 SER H 1.0 1.8 5.67 480 434 A 21 ASN H A 23 PHE HD% 1.0 1.8 5.92 481 435 A 7 CYS HBx A 6 THR HG2% 1.0 1.8 4.91 482 436 A 12 LEU HBy A 9 THR HB 1.0 1.8 5.11 483 437 A 12 LEU HBy A 13 ALA HA 1.0 1.8 5.65 484 438 A 7 CYS HA A 10 GLN HBx 1.0 1.8 4.66 485 439 A 14 ASN HA A 17 VAL HB 1.0 1.8 4.75 486 440 A 9 THR HG2% A 9 THR HA 1.0 1.8 3.84 487 441 A 10 GLN HA A 13 ALA HB% 1.0 1.8 3.62 488 442 A 15 PHE HD% A 12 LEU HDy% 1.0 1.8 3.86 489 443 A 12 LEU HDy% A 15 PHE HE% 1.0 1.8 4.54 490 444 A 16 LEU HDy% A 15 PHE HE% 1.0 1.8 3.96 491 445 A 15 PHE HD% A 16 LEU HDy% 1.0 1.8 3.82 492 446 A 5 ALA H A 6 THR HA 1.0 1.8 5.18 493 447 A 30 THR H A 30 THR HB 1.0 1.8 3.86 494 448 A 14 ASN HA A 17 VAL HGx% 1.0 1.8 4.18 495 449 A 17 VAL HGx% A 19 SER HA 1.0 1.8 4.82 496 450 A 22 ASN HA A 26 ILE HD1% 1.0 1.8 5.19 497 451 A 28 SER H A 28 SER HBx 1.0 1.8 4.12 498 452 A 19 SER HBx A 23 PHE HE% 1.0 1.8 4.93 499 453 A 19 SER HBy A 23 PHE HE% 1.0 1.8 5.04 500 454 A 10 GLN H A 8 ALA HB% 1.0 1.8 4.66 501 455 A 13 ALA HA A 12 LEU HBx 1.0 1.8 4.28 502 456 A 9 THR HG2% A 12 LEU HDy% 1.0 1.8 5.60 503 457 A 8 ALA HB% A 4 THR HG2% 1.0 1.8 4.50 504 458 A 1 LYS HB2 A 1 LYS HE2 1.0 1.8 4.39 505 458 A 1 LYS HB3 A 1 LYS HE2 1.0 1.8 4.39 506 458 A 1 LYS HE3 A 1 LYS HB2 1.0 1.8 4.39 507 458 A 1 LYS HE3 A 1 LYS HB3 1.0 1.8 4.39 508 459 A 24 GLY HAy A 25 ALA HB% 1.0 1.8 4.70 509 460 A 6 THR H A 4 THR HA 1.0 1.8 4.49 510 461 A 23 PHE H A 22 ASN H 1.0 1.8 3.60 511 462 A 8 ALA HB% A 12 LEU HDy% 1.0 1.8 5.69 512 463 A 26 ILE HA A 25 ALA HB% 1.0 1.8 4.58 513 464 A 7 CYS HA A 8 ALA HB% 1.0 1.8 5.20 514 465 A 32 VAL H A 31 ASN HBx 1.0 1.8 4.80 515 465 A 32 VAL H A 31 ASN HBy 1.0 1.8 4.80 516 466 A 30 THR HG2% A 31 ASN HD21 1.0 1.8 5.11 517 467 A 12 LEU HDy% A 15 PHE HBx 1.0 1.8 4.81 518 468 A 2 CYS H A 1 LYS HB2 1.0 1.8 5.10 519 468 A 1 LYS HB3 A 2 CYS H 1.0 1.8 5.10 520 469 A 11 ARG H A 12 LEU H 1.0 1.8 4.13 521 470 A 14 ASN HD21 A 13 ALA HA 1.0 1.8 4.59 522 471 A 3 ASN H A 4 THR HA 1.0 1.8 4.99 523 472 A 5 ALA H A 8 ALA HB% 1.0 1.8 4.70 524 473 A 23 PHE H A 20 SER HA 1.0 1.8 4.67 525 474 A 15 PHE HBy A 12 LEU HA 1.0 1.8 4.42 526 475 A 15 PHE HBx A 12 LEU HA 1.0 1.8 4.80 527 476 A 5 ALA H A 4 THR HB 1.0 1.8 3.82 528 477 A 4 THR HB A 6 THR HB 1.0 1.8 5.41 529 478 A 14 ASN HA A 13 ALA HA 1.0 1.8 5.70 530 479 A 19 SER HA A 23 PHE HE% 1.0 1.8 5.67 531 480 A 20 SER HA A 23 PHE HE% 1.0 1.8 6.00 532 481 A 5 ALA H A 6 THR HG2% 1.0 1.8 5.90 533 482 A 7 CYS HA A 10 GLN HBy 1.0 1.8 4.80 534 483 A 26 ILE HG1x A 27 LEU HA 1.0 1.8 4.56 535 484 A 8 ALA HA A 11 ARG HGx 1.0 1.8 4.80 536 485 A 17 VAL H A 16 LEU H 1.0 1.8 4.36 537 486 A 36 THR H A 35 ASN HBx 1.0 1.8 4.84 538 487 A 23 PHE H A 22 ASN HBx 1.0 1.8 4.84 539 488 A 4 THR H A 2 CYS HBx 1.0 1.8 4.85 540 489 A 18 HIS HBy A 17 VAL HGy% 1.0 1.8 4.99 541 490 A 15 PHE H A 13 ALA HA 1.0 1.8 5.29 542 491 A 16 LEU H A 13 ALA HA 1.0 1.8 5.59 543 492 A 18 HIS H A 18 HIS HD2 1.0 1.8 4.63 544 493 A 5 ALA H A 7 CYS H 1.0 1.8 5.12 545 494 A 4 THR HA A 5 ALA HA 1.0 1.8 4.38 546 495 A 7 CYS HBx A 6 THR HA 1.0 1.8 5.87 547 496 A 7 CYS HBx A 8 ALA HA 1.0 1.8 6.00 548 497 A 7 CYS HBy A 6 THR HG2% 1.0 1.8 5.90 549 498 A 7 CYS HBx A 8 ALA HB% 1.0 1.8 5.37 550 499 A 25 ALA HA A 24 GLY HAy 1.0 1.8 4.54 551 500 A 25 ALA HA A 24 GLY HAx 1.0 1.8 4.85 552 501 A 11 ARG H A 10 GLN HGy 1.0 1.8 5.04 553 502 A 22 ASN HD21 A 25 ALA HB% 1.0 1.8 4.54 554 503 A 14 ASN HD22 A 10 GLN HA 1.0 1.8 4.87 555 504 A 9 THR HG2% A 12 LEU HDx% 1.0 1.8 4.18 556 505 A 21 ASN HD21 A 21 ASN HA 1.0 1.8 4.41 557 506 A 15 PHE H A 12 LEU HDy% 1.0 1.8 5.53 558 507 A 16 LEU H A 17 VAL HGy% 1.0 1.8 6.00 559 508 A 31 ASN HA A 31 ASN HD22 1.0 1.8 4.81 560 509 A 33 GLY H A 34 SER HBx 1.0 1.8 5.36 561 510 A 35 ASN H A 34 SER HBx 1.0 1.8 5.55 562 511 A 18 HIS HA A 20 SER H 1.0 1.8 5.35 563 512 A 20 SER H A 21 ASN HA 1.0 1.8 5.32 564 513 A 21 ASN H A 20 SER H 1.0 1.8 3.95 565 514 A 20 SER H A 22 ASN H 1.0 1.8 4.61 566 515 A 20 SER H A 19 SER HBx 1.0 1.8 4.65 567 516 A 30 THR H A 29 SER HBx 1.0 1.8 4.70 568 517 A 21 ASN HBx A 19 SER HA 1.0 1.8 4.86 569 518 A 16 LEU HA A 19 SER HBx 1.0 1.8 4.69 570 519 A 16 LEU HA A 19 SER HBy 1.0 1.8 4.96 571 520 A 21 ASN HD22 A 21 ASN HA 1.0 1.8 4.70 572 521 A 31 ASN H A 31 ASN HD22 1.0 1.8 5.68 573 522 A 22 ASN H A 23 PHE HE% 1.0 1.8 5.47 574 523 A 27 LEU H A 27 LEU HG 1.0 1.8 4.71 575 524 A 13 ALA HA A 16 LEU HDx% 1.0 1.8 4.43 576 525 A 16 LEU HDy% A 13 ALA HA 1.0 1.8 4.08 577 526 A 8 ALA HB% A 9 THR HG2% 1.0 1.8 4.24 578 527 A 37 TYC HBy A 37 TYC HT21 1.0 1.8 5.01 579 528 A 37 TYC HBx A 37 TYC HT21 1.0 1.8 4.93 580 529 A 37 TYC HBx A 37 TYC HT22 1.0 1.8 5.10 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 _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 LYS C A 2 CYS N A 2 CYS CA A 2 CYS C 1.0 -154.85 -128.33 PHI 2 2 A 2 CYS N A 2 CYS CA A 2 CYS C A 3 ASN N 1.0 151.93 168.11 PSI 3 3 A 3 ASN C A 4 THR N A 4 THR CA A 4 THR C 1.0 -148.44 -101.14 PHI 4 4 A 4 THR N A 4 THR CA A 4 THR C A 5 ALA N 1.0 155.34 181.00 PSI 5 5 A 4 THR C A 5 ALA N A 5 ALA CA A 5 ALA C 1.0 -74.91 -57.37 PHI 6 6 A 5 ALA N A 5 ALA CA A 5 ALA C A 6 THR N 1.0 -36.68 -20.06 PSI 7 7 A 5 ALA C A 6 THR N A 6 THR CA A 6 THR C 1.0 -93.05 -62.87 PHI 8 8 A 6 THR N A 6 THR CA A 6 THR C A 7 CYS N 1.0 -37.19 -6.13 PSI 9 9 A 8 ALA C A 9 THR N A 9 THR CA A 9 THR C 1.0 -66.16 -58.44 PHI 10 10 A 9 THR N A 9 THR CA A 9 THR C A 10 GLN N 1.0 -41.47 -31.53 PSI 11 11 A 9 THR C A 10 GLN N A 10 GLN CA A 10 GLN C 1.0 -73.28 -63.74 PHI 12 12 A 10 GLN N A 10 GLN CA A 10 GLN C A 11 ARG N 1.0 -38.65 -31.67 PSI 13 13 A 10 GLN C A 11 ARG N A 11 ARG CA A 11 ARG C 1.0 -73.19 -65.01 PHI 14 14 A 11 ARG N A 11 ARG CA A 11 ARG C A 12 LEU N 1.0 -42.61 -32.51 PSI 15 15 A 11 ARG C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -75.23 -63.39 PHI 16 16 A 12 LEU N A 12 LEU CA A 12 LEU C A 13 ALA N 1.0 -40.71 -22.81 PSI 17 17 A 12 LEU C A 13 ALA N A 13 ALA CA A 13 ALA C 1.0 -71.40 -57.64 PHI 18 18 A 13 ALA N A 13 ALA CA A 13 ALA C A 14 ASN N 1.0 -38.50 -21.22 PSI 19 19 A 13 ALA C A 14 ASN N A 14 ASN CA A 14 ASN C 1.0 -81.34 -66.74 PHI 20 20 A 14 ASN N A 14 ASN CA A 14 ASN C A 15 PHE N 1.0 -24.21 -8.87 PSI stop_ save_