data_nef_c19911_4cz3 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 4cz3 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 1 ACE C 1 2 MET N 1 25 PHE C 1 26 NH2 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 52 ACE start . . 2 A 53 MET middle -H2 . 3 A 54 THR middle . . 4 A 55 ARG middle . . 5 A 56 SER middle . . 6 A 57 ALA middle . . 7 A 58 PHE middle . . 8 A 59 ALA middle . . 9 A 60 ASN middle . . 10 A 61 LEU middle . . 11 A 62 PRO middle . false 12 A 63 LEU middle . . 13 A 64 TRP middle . . 14 A 65 LYS middle . . 15 A 66 GLN middle . . 16 A 67 GLN middle . . 17 A 68 ASN middle . . 18 A 69 LEU middle . . 19 A 70 LYS middle . . 20 A 71 LYS middle . . 21 A 72 GLU middle . . 22 A 73 LYS middle . . 23 A 74 GLY middle . false 24 A 75 LEU middle . . 25 A 76 PHE middle -OXT . 26 A 77 NH2 end . . stop_ save_ save_assigned_chem_shift_list _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list 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 52 ACE H% H 1 2.081 . A 52 ACE CH3 C 13 24.541 . A 53 MET H H 1 8.406 . A 53 MET HA H 1 4.516 . A 53 MET HB2 H 1 2.060 . A 53 MET HB3 H 1 2.094 . A 53 MET HE% H 1 2.126 . A 53 MET HG2 H 1 2.632 . A 53 MET HG3 H 1 2.632 . A 53 MET CA C 13 55.901 . A 53 MET CB C 13 33.205 0.001 A 53 MET CE C 13 16.993 . A 53 MET CG C 13 32.079 . A 53 MET N N 15 126.070 . A 54 THR H H 1 8.181 . A 54 THR HA H 1 4.410 . A 54 THR HB H 1 4.319 . A 54 THR HG2% H 1 1.263 . A 54 THR CA C 13 61.790 . A 54 THR CB C 13 70.096 . A 54 THR CG2 C 13 21.708 . A 54 THR N N 15 115.502 . A 55 ARG HA H 1 4.332 . A 55 ARG HBx H 1 1.814 . A 55 ARG HBy H 1 1.897 . A 55 ARG HD2 H 1 3.212 . A 55 ARG HD3 H 1 3.212 . A 55 ARG HG2 H 1 1.630 . A 55 ARG HG3 H 1 1.630 . A 55 ARG CA C 13 56.735 . A 55 ARG CB C 13 30.720 0.004 A 55 ARG CD C 13 43.380 . A 55 ARG CG C 13 27.129 . A 56 SER HA H 1 4.384 . A 56 SER HBy H 1 3.898 . A 56 SER HBx H 1 3.837 . A 56 SER CA C 13 58.845 . A 56 SER CB C 13 63.695 0.002 A 57 ALA HA H 1 4.239 . A 57 ALA HB% H 1 1.309 . A 57 ALA CA C 13 53.304 . A 57 ALA CB C 13 18.992 . A 58 PHE H H 1 8.073 . A 58 PHE HA H 1 4.508 . A 58 PHE HBy H 1 3.174 . A 58 PHE HBx H 1 3.019 . A 58 PHE CA C 13 58.240 . A 58 PHE CB C 13 39.524 0.042 A 58 PHE N N 15 118.554 . A 59 ALA H H 1 7.940 . A 59 ALA HA H 1 4.201 . A 59 ALA HB% H 1 1.397 . A 59 ALA CA C 13 53.089 . A 59 ALA CB C 13 19.181 . A 59 ALA N N 15 122.927 . A 60 ASN H H 1 8.071 . A 60 ASN HA H 1 4.702 . A 60 ASN HBy H 1 2.896 . A 60 ASN HBx H 1 2.716 . A 60 ASN CA C 13 53.029 . A 60 ASN CB C 13 38.899 0.001 A 60 ASN N N 15 116.001 . A 61 LEU H H 1 7.884 . A 61 LEU HA H 1 4.564 . A 61 LEU HBy H 1 1.634 . A 61 LEU HBx H 1 1.408 . A 61 LEU HDx% H 1 0.876 . A 61 LEU HDy% H 1 0.879 . A 61 LEU HG H 1 1.711 . A 61 LEU CA C 13 53.507 . A 61 LEU CB C 13 41.967 0.004 A 61 LEU CDx C 13 23.397 . A 61 LEU CDy C 13 25.561 . A 61 LEU CG C 13 26.836 . A 61 LEU N N 15 122.968 . A 62 PRO HA H 1 4.381 . A 62 PRO HBy H 1 2.221 . A 62 PRO HBx H 1 1.428 . A 62 PRO HDy H 1 3.844 . A 62 PRO HDx H 1 3.461 . A 62 PRO HGx H 1 1.798 . A 62 PRO HGy H 1 2.026 . A 62 PRO CA C 13 63.112 . A 62 PRO CB C 13 32.007 0.003 A 62 PRO CD C 13 50.474 0.001 A 62 PRO CG C 13 27.695 . A 63 LEU H H 1 8.423 . A 63 LEU HA H 1 4.096 . A 63 LEU HB2 H 1 1.679 . A 63 LEU HB3 H 1 1.679 . A 63 LEU HDx% H 1 0.960 . A 63 LEU HDy% H 1 0.908 . A 63 LEU CA C 13 57.164 . A 63 LEU CB C 13 41.886 . A 63 LEU CDy C 13 24.517 . A 63 LEU CDx C 13 24.013 . A 63 LEU N N 15 122.522 . A 64 TRP H H 1 7.859 . A 64 TRP HA H 1 4.558 . A 64 TRP HBy H 1 3.419 . A 64 TRP HBx H 1 3.343 . A 64 TRP HE1 H 1 10.336 . A 64 TRP CA C 13 58.335 . A 64 TRP CB C 13 28.425 0.001 A 64 TRP N N 15 117.881 . A 64 TRP NE1 N 15 130.107 . A 65 LYS H H 1 7.337 . A 65 LYS HA H 1 4.069 . A 65 LYS HBy H 1 1.660 . A 65 LYS HBx H 1 1.300 . A 65 LYS HD2 H 1 1.558 . A 65 LYS HD3 H 1 1.558 . A 65 LYS HE2 H 1 2.918 . A 65 LYS HE3 H 1 2.918 . A 65 LYS HG2 H 1 1.046 . A 65 LYS HG3 H 1 1.011 . A 65 LYS CA C 13 57.250 . A 65 LYS CB C 13 32.917 . A 65 LYS CD C 13 29.264 . A 65 LYS CE C 13 42.141 . A 65 LYS CG C 13 24.906 . A 65 LYS N N 15 121.770 . A 66 GLN H H 1 7.894 . A 66 GLN HA H 1 4.058 . A 66 GLN HB2 H 1 2.065 . A 66 GLN HB3 H 1 2.065 . A 66 GLN HGy H 1 2.307 . A 66 GLN HGx H 1 2.116 . A 66 GLN CA C 13 57.316 . A 66 GLN CB C 13 29.102 . A 66 GLN CG C 13 33.989 0.003 A 66 GLN N N 15 119.768 . A 67 GLN H H 1 8.226 . A 67 GLN HA H 1 4.233 . A 67 GLN HB2 H 1 2.098 . A 67 GLN HB3 H 1 2.098 . A 67 GLN HGy H 1 2.446 . A 67 GLN HGx H 1 2.394 . A 67 GLN CA C 13 56.886 . A 67 GLN CB C 13 29.210 . A 67 GLN CG C 13 33.938 0.006 A 67 GLN N N 15 119.028 . A 68 ASN H H 1 8.150 . A 68 ASN HA H 1 4.680 . A 68 ASN HBy H 1 2.866 . A 68 ASN HBx H 1 2.750 . A 68 ASN CA C 13 54.027 . A 68 ASN CB C 13 38.740 0.001 A 68 ASN N N 15 121.037 . A 69 LEU H H 1 8.092 . A 69 LEU HA H 1 4.326 . A 69 LEU HBx H 1 1.626 . A 69 LEU HBy H 1 1.753 . A 69 LEU HDx% H 1 0.908 . A 69 LEU HDy% H 1 0.933 . A 69 LEU HG H 1 1.682 . A 69 LEU CA C 13 55.967 . A 69 LEU CB C 13 42.372 0.006 A 69 LEU CDx C 13 23.373 . A 69 LEU CDy C 13 25.300 . A 69 LEU CG C 13 27.154 . A 69 LEU N N 15 121.918 . A 71 LYS HA H 1 4.308 . A 71 LYS HBx H 1 1.835 . A 71 LYS HBy H 1 1.900 . A 71 LYS HD2 H 1 1.720 . A 71 LYS HD3 H 1 1.720 . A 71 LYS HE2 H 1 3.022 . A 71 LYS HE3 H 1 3.022 . A 71 LYS HG2 H 1 1.527 . A 71 LYS HG3 H 1 1.527 . A 71 LYS CA C 13 56.823 . A 71 LYS CB C 13 32.832 0.004 A 71 LYS CD C 13 29.213 . A 71 LYS CE C 13 42.216 . A 71 LYS CG C 13 24.956 . A 72 GLU HA H 1 4.295 . A 72 GLU HBx H 1 2.010 . A 72 GLU HBy H 1 2.098 . A 72 GLU HG2 H 1 2.320 . A 72 GLU HG3 H 1 2.320 . A 72 GLU CA C 13 56.883 . A 72 GLU CB C 13 30.358 . A 72 GLU CG C 13 36.337 . A 73 LYS H H 1 8.164 . A 73 LYS HA H 1 4.275 . A 73 LYS HG2 H 1 1.438 . A 73 LYS HG3 H 1 1.438 . A 73 LYS CA C 13 56.936 . A 73 LYS CG C 13 24.915 . A 73 LYS N N 15 121.978 . A 74 GLY H H 1 8.350 . A 74 GLY HA2 H 1 3.950 . A 74 GLY HA3 H 1 3.950 . A 74 GLY CA C 13 45.455 . A 74 GLY N N 15 109.387 . A 75 LEU H H 1 8.033 . A 75 LEU HA H 1 4.251 . A 75 LEU HBy H 1 1.470 . A 75 LEU HBx H 1 1.369 . A 75 LEU HDx% H 1 0.823 . A 75 LEU HDy% H 1 0.884 . A 75 LEU HG H 1 1.477 . A 75 LEU CA C 13 55.554 . A 75 LEU CB C 13 42.421 0.001 A 75 LEU CDx C 13 23.534 . A 75 LEU CDy C 13 24.900 . A 75 LEU CG C 13 26.906 . A 75 LEU N N 15 121.679 . A 76 PHE H H 1 8.170 . A 76 PHE HA H 1 4.638 . A 76 PHE HBy H 1 3.245 . A 76 PHE HBx H 1 2.993 . A 76 PHE CA C 13 57.359 . A 76 PHE CB C 13 39.519 0.04 A 76 PHE N N 15 120.058 . stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 66 GLN H A 67 GLN H 1.0 0.0 4.04 2 2 A 58 PHE H A 59 ALA H 1.0 0.0 4.17 3 3 A 72 GLU H A 73 LYS H 1.0 0.0 4.25 4 4 A 63 LEU H A 64 TRP H 1.0 0.0 3.75 5 5 A 68 ASN HA A 69 LEU H 1.0 0.0 3.10 6 6 A 56 SER HA A 57 ALA H 1.0 0.0 3.54 7 7 A 72 GLU H A 72 GLU HA 1.0 0.0 2.82 8 8 A 63 LEU H A 62 PRO HA 1.0 0.0 2.84 9 9 A 54 THR HB A 55 ARG H 1.0 0.0 4.11 10 10 A 58 PHE H A 58 PHE HBx 1.0 0.0 3.78 11 11 A 58 PHE HE% A 71 LYS HE2 1.0 0.0 5.29 12 11 A 58 PHE HE% A 71 LYS HE3 1.0 0.0 5.29 13 12 A 62 PRO HBx A 64 TRP HD1 1.0 0.0 4.10 14 13 A 66 GLN H A 66 GLN HGx 1.0 0.0 3.34 15 14 A 67 GLN H A 67 GLN HB2 1.0 0.0 3.06 16 14 A 67 GLN H A 67 GLN HB3 1.0 0.0 3.06 17 15 A 72 GLU H A 72 GLU HBx 1.0 0.0 3.62 18 16 A 69 LEU H A 69 LEU HBx 1.0 0.0 3.22 19 17 A 69 LEU H A 69 LEU HBy 1.0 0.0 3.77 20 18 A 63 LEU H A 63 LEU HB3 1.0 0.0 3.58 21 19 A 59 ALA H A 59 ALA HB% 1.0 0.0 3.04 22 20 A 59 ALA HB% A 60 ASN H 1.0 0.0 4.03 23 21 A 57 ALA H A 57 ALA HB% 1.0 0.0 3.66 24 22 A 61 LEU H A 61 LEU HDx% 1.0 0.0 4.19 25 23 A 63 LEU HDy% A 67 GLN HE2x 1.0 0.0 5.36 26 24 A 58 PHE HD% A 61 LEU HBy 1.0 0.0 5.30 27 25 A 58 PHE HE% A 69 LEU HBy 1.0 0.0 4.41 28 26 A 62 PRO HBy A 64 TRP HZ2 1.0 0.0 4.95 29 27 A 66 GLN HB2 A 66 GLN HE2y 1.0 0.0 5.18 30 28 A 65 LYS H A 65 LYS HBx 1.0 0.0 3.59 31 29 A 64 TRP H A 63 LEU HDx% 1.0 0.0 4.70 32 30 A 61 LEU HDy% A 62 PRO HDy 1.0 0.0 3.56 33 31 A 61 LEU HDx% A 66 GLN HA 1.0 0.0 4.40 34 32 A 61 LEU HDy% A 62 PRO HDx 1.0 0.0 3.92 35 33 A 65 LYS H A 64 TRP HA 1.0 0.0 3.44 36 34 A 64 TRP HA A 64 TRP HE3 1.0 0.0 4.25 37 35 A 64 TRP HD1 A 64 TRP HA 1.0 0.0 4.53 38 36 A 66 GLN HE2y A 59 ALA HA 1.0 0.0 4.04 39 37 A 66 GLN H A 65 LYS H 1.0 0.0 3.49 40 38 A 64 TRP H A 64 TRP HE3 1.0 0.0 5.07 41 39 A 75 LEU H A 76 PHE H 1.0 0.0 4.64 42 40 A 76 PHE H A 76 PHE HD% 1.0 0.0 4.53 43 41 A 62 PRO HDy A 65 LYS HG3 1.0 0.0 4.74 44 42 A 62 PRO HDy A 65 LYS HD2 1.0 0.0 3.93 45 43 A 61 LEU HBy A 62 PRO HDy 1.0 0.0 3.54 46 44 A 61 LEU HBy A 62 PRO HDx 1.0 0.0 4.55 47 45 A 66 GLN HB2 A 63 LEU HA 1.0 0.0 3.50 48 46 A 66 GLN HA A 66 GLN HGy 1.0 0.0 3.32 49 47 A 63 LEU HDx% A 63 LEU HA 1.0 0.0 3.38 50 48 A 63 LEU HDy% A 63 LEU HA 1.0 0.0 3.35 51 49 A 66 GLN HA A 69 LEU HDx% 1.0 0.0 3.80 52 50 A 54 THR HA A 54 THR HG2% 1.0 0.0 3.02 53 51 A 61 LEU HDy% A 61 LEU HA 1.0 0.0 2.71 54 52 A 61 LEU HDx% A 58 PHE HA 1.0 0.0 3.57 55 53 A 69 LEU HA A 69 LEU HDy% 1.0 0.0 2.78 56 54 A 61 LEU HA A 61 LEU HG 1.0 0.0 3.69 57 55 A 58 PHE HA A 61 LEU HG 1.0 0.0 3.56 58 56 A 62 PRO HBx A 61 LEU HA 1.0 0.0 4.91 59 57 A 69 LEU HA A 69 LEU HG 1.0 0.0 3.45 60 58 A 65 LYS HA A 65 LYS HD3 1.0 0.0 3.93 61 59 A 69 LEU HBx A 66 GLN HA 1.0 0.0 4.01 62 60 A 66 GLN HA A 69 LEU HG 1.0 0.0 4.21 63 61 A 62 PRO HDx A 65 LYS HD2 1.0 0.0 4.50 64 62 A 62 PRO HDx A 61 LEU HBx 1.0 0.0 3.63 65 63 A 66 GLN HGx A 63 LEU HA 1.0 0.0 3.90 66 64 A 66 GLN HGx A 66 GLN HA 1.0 0.0 3.50 67 65 A 67 GLN HA A 67 GLN HGy 1.0 0.0 3.93 68 66 A 67 GLN HA A 67 GLN HGx 1.0 0.0 3.93 69 67 A 72 GLU HA A 72 GLU HG2 1.0 0.0 3.60 70 67 A 72 GLU HA A 72 GLU HG3 1.0 0.0 3.60 71 68 A 55 ARG HA A 55 ARG HD2 1.0 0.0 4.04 72 68 A 55 ARG HA A 55 ARG HD3 1.0 0.0 4.04 73 69 A 62 PRO HDy A 61 LEU HA 1.0 0.0 2.59 74 70 A 64 TRP HA A 64 TRP HBy 1.0 0.0 2.65 75 71 A 64 TRP HA A 64 TRP HBx 1.0 0.0 2.79 76 72 A 62 PRO HDx A 61 LEU HA 1.0 0.0 2.77 77 73 A 67 GLN H A 64 TRP HA 1.0 0.0 5.06 78 74 A 61 LEU H A 62 PRO HDx 1.0 0.0 5.33 79 75 A 64 TRP H A 64 TRP HBy 1.0 0.0 3.68 80 76 A 61 LEU H A 62 PRO HDy 1.0 0.0 4.97 81 77 A 60 ASN H A 61 LEU H 1.0 0.0 4.05 82 78 A 61 LEU H A 66 GLN HE2x 1.0 0.0 4.31 83 79 A 66 GLN H A 66 GLN HE2x 1.0 0.0 5.07 84 80 A 64 TRP H A 65 LYS H 1.0 0.0 3.51 85 81 A 64 TRP H A 64 TRP HD1 1.0 0.0 3.08 86 82 A 59 ALA H A 58 PHE HD% 1.0 0.0 4.28 87 83 A 58 PHE H A 58 PHE HD% 1.0 0.0 4.34 88 84 A 62 PRO HBx A 64 TRP HE1 1.0 0.0 4.44 89 85 A 64 TRP HE1 A 62 PRO HGy 1.0 0.0 4.78 90 86 A 64 TRP HE1 A 62 PRO HGx 1.0 0.0 4.78 91 87 A 62 PRO HBy A 64 TRP HE1 1.0 0.0 4.32 92 88 A 64 TRP HBx A 64 TRP HE1 1.0 0.0 5.07 93 89 A 64 TRP H A 64 TRP HA 1.0 0.0 2.92 94 90 A 63 LEU H A 64 TRP HA 1.0 0.0 5.31 95 91 A 64 TRP HD1 A 64 TRP HBy 1.0 0.0 3.86 96 92 A 64 TRP HD1 A 64 TRP HBx 1.0 0.0 2.95 97 93 A 64 TRP HE3 A 64 TRP HBy 1.0 0.0 3.16 98 94 A 58 PHE H A 58 PHE HBy 1.0 0.0 3.78 99 95 A 58 PHE HD% A 66 GLN HGy 1.0 0.0 4.09 100 96 A 58 PHE HD% A 69 LEU HDx% 1.0 0.0 3.75 101 97 A 61 LEU HDx% A 58 PHE HD% 1.0 0.0 3.35 102 98 A 58 PHE HE% A 69 LEU HDx% 1.0 0.0 3.87 103 99 A 58 PHE HE% A 61 LEU HDx% 1.0 0.0 4.40 104 100 A 61 LEU H A 61 LEU HDy% 1.0 0.0 3.43 105 101 A 69 LEU H A 69 LEU HDx% 1.0 0.0 4.40 106 102 A 69 LEU H A 69 LEU HDy% 1.0 0.0 4.10 107 103 A 64 TRP H A 63 LEU HDy% 1.0 0.0 4.35 108 104 A 69 LEU HDy% A 68 ASN H 1.0 0.0 5.03 109 105 A 61 LEU H A 61 LEU HBx 1.0 0.0 3.82 110 106 A 58 PHE H A 57 ALA HB% 1.0 0.0 3.71 111 107 A 64 TRP H A 62 PRO HBy 1.0 0.0 3.84 112 108 A 73 LYS H A 73 LYS HG2 1.0 0.0 4.05 113 108 A 73 LYS H A 73 LYS HG3 1.0 0.0 4.05 114 109 A 63 LEU H A 63 LEU HB2 1.0 0.0 3.19 115 110 A 63 LEU H A 62 PRO HBy 1.0 0.0 4.10 116 111 A 59 ALA HB% A 58 PHE HD% 1.0 0.0 4.12 117 112 A 57 ALA HB% A 58 PHE HD% 1.0 0.0 5.31 118 113 A 62 PRO HBy A 65 LYS H 1.0 0.0 4.02 119 114 A 61 LEU HBy A 66 GLN HE2x 1.0 0.0 4.07 120 115 A 64 TRP HD1 A 63 LEU HB2 1.0 0.0 4.46 121 116 A 65 LYS H A 65 LYS HBy 1.0 0.0 3.59 122 117 A 58 PHE HE% A 69 LEU HBx 1.0 0.0 3.91 123 118 A 64 TRP HD1 A 62 PRO HBy 1.0 0.0 3.32 124 119 A 61 LEU H A 61 LEU HG 1.0 0.0 3.18 125 120 A 61 LEU H A 61 LEU HBy 1.0 0.0 2.93 126 121 A 66 GLN H A 66 GLN HB2 1.0 0.0 3.09 127 122 A 67 GLN H A 67 GLN HGy 1.0 0.0 4.19 128 123 A 67 GLN H A 67 GLN HGx 1.0 0.0 4.19 129 124 A 72 GLU H A 72 GLU HG2 1.0 0.0 3.98 130 124 A 72 GLU H A 72 GLU HG3 1.0 0.0 3.98 131 125 A 72 GLU H A 72 GLU HBy 1.0 0.0 3.62 132 126 A 71 LYS H A 71 LYS HBx 1.0 0.0 3.67 133 126 A 71 LYS H A 71 LYS HBy 1.0 0.0 3.67 134 127 A 72 GLU H A 71 LYS HBx 1.0 0.0 4.17 135 127 A 72 GLU H A 71 LYS HBy 1.0 0.0 4.17 136 128 A 63 LEU H A 62 PRO HBx 1.0 0.0 4.04 137 129 A 53 MET H A 53 MET HB2 1.0 0.0 3.33 138 129 A 53 MET H A 53 MET HB3 1.0 0.0 3.33 139 130 A 73 LYS H A 71 LYS HBx 1.0 0.0 3.18 140 130 A 73 LYS H A 71 LYS HBy 1.0 0.0 3.18 141 131 A 69 LEU H A 69 LEU HG 1.0 0.0 3.44 142 132 A 69 LEU HG A 68 ASN H 1.0 0.0 4.08 143 133 A 69 LEU HBx A 68 ASN H 1.0 0.0 4.22 144 134 A 58 PHE H A 57 ALA HA 1.0 0.0 3.28 145 135 A 67 GLN H A 66 GLN HA 1.0 0.0 3.50 146 136 A 76 PHE H A 75 LEU HBx 1.0 0.0 4.58 147 137 A 54 THR HG2% A 54 THR H 1.0 0.0 4.49 148 138 A 76 PHE H A 75 LEU HBy 1.0 0.0 4.58 149 139 A 59 ALA H A 57 ALA HB% 1.0 0.0 4.88 150 140 A 71 LYS H A 71 LYS HG2 1.0 0.0 5.17 151 141 A 71 LYS H A 71 LYS HG3 1.0 0.0 5.17 152 142 A 71 LYS H A 71 LYS HD2 1.0 0.0 4.93 153 142 A 71 LYS H A 71 LYS HD3 1.0 0.0 4.93 154 143 A 72 GLU H A 71 LYS HD2 1.0 0.0 5.50 155 143 A 72 GLU H A 71 LYS HD3 1.0 0.0 5.50 156 144 A 64 TRP H A 64 TRP HBx 1.0 0.0 3.01 157 145 A 59 ALA H A 58 PHE HBy 1.0 0.0 4.62 158 146 A 59 ALA H A 58 PHE HBx 1.0 0.0 4.62 159 147 A 61 LEU H A 60 ASN HBy 1.0 0.0 4.21 160 148 A 61 LEU H A 60 ASN HBx 1.0 0.0 4.21 161 149 A 69 LEU H A 68 ASN HBy 1.0 0.0 4.44 162 150 A 69 LEU H A 68 ASN HBx 1.0 0.0 4.44 163 151 A 63 LEU H A 62 PRO HDy 1.0 0.0 5.37 164 152 A 64 TRP HZ2 A 65 LYS HE2 1.0 0.0 4.56 165 153 A 64 TRP HZ2 A 65 LYS HE3 1.0 0.0 4.56 166 154 A 64 TRP H A 62 PRO HBx 1.0 0.0 4.75 167 155 A 68 ASN H A 67 GLN HB2 1.0 0.0 4.55 168 155 A 67 GLN HB3 A 68 ASN H 1.0 0.0 4.55 169 156 A 67 GLN H A 66 GLN HGx 1.0 0.0 5.01 170 157 A 66 GLN HA A 68 ASN H 1.0 0.0 4.69 171 158 A 69 LEU H A 66 GLN HA 1.0 0.0 4.33 172 159 A 66 GLN H A 65 LYS HA 1.0 0.0 3.52 173 160 A 75 LEU H A 74 GLY HA2 1.0 0.0 3.22 174 160 A 75 LEU H A 74 GLY HA3 1.0 0.0 3.22 175 161 A 66 GLN H A 63 LEU HA 1.0 0.0 3.94 176 162 A 61 LEU H A 59 ALA HA 1.0 0.0 4.27 177 163 A 63 LEU H A 62 PRO HDx 1.0 0.0 5.50 178 164 A 64 TRP HE3 A 65 LYS HA 1.0 0.0 3.33 179 165 A 65 LYS HA A 64 TRP HZ3 1.0 0.0 4.15 180 166 A 65 LYS HA A 68 ASN HD2x 1.0 0.0 4.81 181 167 A 66 GLN HGx A 66 GLN HE2x 1.0 0.0 3.28 182 168 A 66 GLN HGx A 66 GLN HE2y 1.0 0.0 3.78 183 169 A 62 PRO HBx A 64 TRP HZ2 1.0 0.0 4.77 184 170 A 58 PHE HE% A 66 GLN HGy 1.0 0.0 3.67 185 171 A 58 PHE HD% A 71 LYS HD2 1.0 0.0 4.81 186 171 A 58 PHE HD% A 71 LYS HD3 1.0 0.0 4.81 187 172 A 69 LEU HBy A 58 PHE HD% 1.0 0.0 4.76 188 173 A 58 PHE HE% A 71 LYS HD2 1.0 0.0 4.43 189 173 A 58 PHE HE% A 71 LYS HD3 1.0 0.0 4.43 190 174 A 65 LYS HD3 A 64 TRP HZ3 1.0 0.0 5.03 191 175 A 59 ALA HB% A 66 GLN HE2y 1.0 0.0 4.99 192 176 A 61 LEU HBy A 66 GLN HE2y 1.0 0.0 5.07 193 177 A 67 GLN HE2y A 67 GLN HB2 1.0 0.0 5.01 194 177 A 67 GLN HB3 A 67 GLN HE2y 1.0 0.0 5.01 195 178 A 65 LYS H A 64 TRP HBy 1.0 0.0 4.14 196 179 A 67 GLN HE2x A 67 GLN HB2 1.0 0.0 5.01 197 179 A 67 GLN HB3 A 67 GLN HE2x 1.0 0.0 5.01 198 180 A 63 LEU H A 63 LEU HDx% 1.0 0.0 4.44 199 181 A 63 LEU H A 63 LEU HDy% 1.0 0.0 4.35 200 182 A 69 LEU HDx% A 68 ASN H 1.0 0.0 5.50 201 183 A 67 GLN HE2x A 63 LEU HDx% 1.0 0.0 4.55 202 184 A 63 LEU HDy% A 66 GLN HE2x 1.0 0.0 4.36 203 185 A 61 LEU HDx% A 66 GLN HE2x 1.0 0.0 4.73 204 186 A 63 LEU HDx% A 66 GLN HE2x 1.0 0.0 4.96 205 187 A 69 LEU HDx% A 69 LEU HA 1.0 0.0 5.50 206 188 A 64 TRP HA A 67 GLN HGy 1.0 0.0 4.72 207 189 A 64 TRP HA A 67 GLN HGx 1.0 0.0 4.72 208 190 A 62 PRO HDy A 61 LEU HBx 1.0 0.0 3.35 209 191 A 55 ARG HBy A 55 ARG HD2 1.0 0.0 3.98 210 191 A 55 ARG HD3 A 55 ARG HBy 1.0 0.0 3.98 211 192 A 55 ARG HBx A 55 ARG HD2 1.0 0.0 3.98 212 192 A 55 ARG HD3 A 55 ARG HBx 1.0 0.0 3.98 213 193 A 62 PRO HDy A 65 LYS HG2 1.0 0.0 4.74 214 194 A 61 LEU H A 58 PHE HD% 1.0 0.0 5.50 215 195 A 64 TRP HZ3 A 68 ASN HD2x 1.0 0.0 4.56 216 196 A 63 LEU H A 65 LYS H 1.0 0.0 5.22 217 197 A 63 LEU H A 64 TRP HD1 1.0 0.0 5.12 218 198 A 61 LEU H A 60 ASN HA 1.0 0.0 3.42 219 199 A 59 ALA HA A 66 GLN HE2x 1.0 0.0 4.00 220 200 A 63 LEU HA A 66 GLN HE2x 1.0 0.0 4.06 221 201 A 66 GLN HE2y A 63 LEU HA 1.0 0.0 4.30 222 202 A 58 PHE HE% A 66 GLN HA 1.0 0.0 3.75 223 203 A 61 LEU H A 66 GLN HE2y 1.0 0.0 5.50 224 204 A 66 GLN H A 66 GLN HE2y 1.0 0.0 5.50 225 205 A 66 GLN H A 64 TRP HE3 1.0 0.0 5.50 226 206 A 64 TRP HE3 A 68 ASN HD2x 1.0 0.0 4.17 227 207 A 68 ASN HA A 68 ASN HD2x 1.0 0.0 4.46 228 208 A 64 TRP HA A 68 ASN HD2x 1.0 0.0 5.26 229 209 A 66 GLN HA A 66 GLN HE2x 1.0 0.0 5.09 230 210 A 58 PHE HD% A 66 GLN HA 1.0 0.0 5.08 231 211 A 65 LYS H A 64 TRP HBx 1.0 0.0 4.41 232 212 A 64 TRP HH2 A 65 LYS HE2 1.0 0.0 4.63 233 213 A 64 TRP HH2 A 65 LYS HE3 1.0 0.0 4.63 234 214 A 66 GLN HGy A 58 PHE HZ 1.0 0.0 3.82 235 215 A 63 LEU HDx% A 67 GLN HE2y 1.0 0.0 4.55 236 216 A 66 GLN HE2y A 63 LEU HDx% 1.0 0.0 4.62 237 217 A 63 LEU HDy% A 67 GLN HE2y 1.0 0.0 5.36 238 218 A 63 LEU HDy% A 66 GLN HE2y 1.0 0.0 4.32 239 219 A 64 TRP HD1 A 63 LEU HDy% 1.0 0.0 5.50 240 220 A 66 GLN H A 63 LEU HDx% 1.0 0.0 4.75 241 221 A 66 GLN HGx A 61 LEU HBy 1.0 0.0 3.62 242 222 A 61 LEU H A 65 LYS HD2 1.0 0.0 5.50 243 223 A 64 TRP H A 62 PRO HA 1.0 0.0 4.96 244 224 A 62 PRO HA A 61 LEU H 1.0 0.0 5.50 245 225 A 61 LEU H A 58 PHE HA 1.0 0.0 4.30 246 226 A 76 PHE HD% A 76 PHE HA 1.0 0.0 3.51 247 227 A 58 PHE HD% A 58 PHE HA 1.0 0.0 3.70 248 228 A 58 PHE HD% A 59 ALA HA 1.0 0.0 4.36 249 229 A 64 TRP HZ2 A 65 LYS HD2 1.0 0.0 4.98 250 230 A 58 PHE H A 58 PHE HBx 1.0 0.0 3.13 251 230 A 58 PHE H A 58 PHE HBy 1.0 0.0 3.13 252 231 A 59 ALA H A 58 PHE HBx 1.0 0.0 3.96 253 231 A 59 ALA H A 58 PHE HBy 1.0 0.0 3.96 254 232 A 61 LEU HDx% A 58 PHE HBx 1.0 0.0 4.57 255 232 A 61 LEU HDx% A 58 PHE HBy 1.0 0.0 4.57 256 233 A 60 ASN H A 60 ASN HBx 1.0 0.0 3.59 257 233 A 60 ASN H A 60 ASN HBy 1.0 0.0 3.59 258 234 A 60 ASN HBy A 60 ASN HD2y 1.0 0.0 1.56 259 234 A 60 ASN HBx A 60 ASN HD2y 1.0 0.0 1.56 260 234 A 60 ASN HD2x A 60 ASN HBx 1.0 0.0 1.56 261 234 A 60 ASN HBy A 60 ASN HD2x 1.0 0.0 1.56 262 235 A 61 LEU H A 60 ASN HD2y 1.0 0.0 5.16 263 235 A 61 LEU H A 60 ASN HD2x 1.0 0.0 5.16 264 236 A 64 TRP HD1 A 62 PRO HGx 1.0 0.0 4.32 265 236 A 64 TRP HD1 A 62 PRO HGy 1.0 0.0 4.32 266 237 A 64 TRP HZ2 A 62 PRO HGx 1.0 0.0 4.11 267 237 A 64 TRP HZ2 A 62 PRO HGy 1.0 0.0 4.11 268 238 A 65 LYS H A 62 PRO HGx 1.0 0.0 4.14 269 238 A 65 LYS H A 62 PRO HGy 1.0 0.0 4.14 270 239 A 62 PRO HDy A 65 LYS HBy 1.0 0.0 3.92 271 239 A 62 PRO HDy A 65 LYS HBx 1.0 0.0 3.92 272 240 A 62 PRO HDy A 65 LYS HG3 1.0 0.0 4.04 273 240 A 62 PRO HDy A 65 LYS HG2 1.0 0.0 4.04 274 241 A 63 LEU HB2 A 67 GLN HE2y 1.0 0.0 4.91 275 241 A 67 GLN HE2x A 63 LEU HB2 1.0 0.0 4.91 276 242 A 63 LEU HDx% A 67 GLN HGx 1.0 0.0 4.16 277 242 A 63 LEU HDx% A 67 GLN HGy 1.0 0.0 4.16 278 243 A 67 GLN HE2x A 63 LEU HDx% 1.0 0.0 3.97 279 243 A 63 LEU HDx% A 67 GLN HE2y 1.0 0.0 3.97 280 244 A 63 LEU HDy% A 67 GLN HE2x 1.0 0.0 4.53 281 244 A 63 LEU HDy% A 67 GLN HE2y 1.0 0.0 4.53 282 245 A 64 TRP HA A 67 GLN HGx 1.0 0.0 4.14 283 245 A 64 TRP HA A 67 GLN HGy 1.0 0.0 4.14 284 246 A 64 TRP HE3 A 65 LYS HBy 1.0 0.0 5.28 285 246 A 64 TRP HE3 A 65 LYS HBx 1.0 0.0 5.28 286 247 A 64 TRP HE3 A 65 LYS HG3 1.0 0.0 4.59 287 247 A 64 TRP HE3 A 65 LYS HG2 1.0 0.0 4.59 288 248 A 64 TRP HE3 A 68 ASN HBx 1.0 0.0 4.68 289 248 A 64 TRP HE3 A 68 ASN HBy 1.0 0.0 4.68 290 249 A 64 TRP HZ3 A 65 LYS HG3 1.0 0.0 4.41 291 249 A 64 TRP HZ3 A 65 LYS HG2 1.0 0.0 4.41 292 250 A 64 TRP HZ3 A 65 LYS HE3 1.0 0.0 4.44 293 250 A 64 TRP HZ3 A 65 LYS HE2 1.0 0.0 4.44 294 251 A 64 TRP HZ3 A 68 ASN HBx 1.0 0.0 5.34 295 251 A 64 TRP HZ3 A 68 ASN HBy 1.0 0.0 5.34 296 252 A 64 TRP HZ2 A 65 LYS HG3 1.0 0.0 4.03 297 252 A 64 TRP HZ2 A 65 LYS HG2 1.0 0.0 4.03 298 253 A 64 TRP HZ2 A 65 LYS HE3 1.0 0.0 3.94 299 253 A 64 TRP HZ2 A 65 LYS HE2 1.0 0.0 3.94 300 254 A 64 TRP HH2 A 65 LYS HG3 1.0 0.0 3.94 301 254 A 64 TRP HH2 A 65 LYS HG2 1.0 0.0 3.94 302 255 A 64 TRP HH2 A 65 LYS HE3 1.0 0.0 3.99 303 255 A 64 TRP HH2 A 65 LYS HE2 1.0 0.0 3.99 304 256 A 65 LYS H A 65 LYS HG3 1.0 0.0 4.32 305 256 A 65 LYS H A 65 LYS HG2 1.0 0.0 4.32 306 257 A 65 LYS HA A 65 LYS HG3 1.0 0.0 3.43 307 257 A 65 LYS HA A 65 LYS HG2 1.0 0.0 3.43 308 258 A 65 LYS HA A 68 ASN HBx 1.0 0.0 3.86 309 258 A 65 LYS HA A 68 ASN HBy 1.0 0.0 3.86 310 259 A 66 GLN H A 65 LYS HBy 1.0 0.0 3.93 311 259 A 66 GLN H A 65 LYS HBx 1.0 0.0 3.93 312 260 A 67 GLN H A 67 GLN HGx 1.0 0.0 3.68 313 260 A 67 GLN H A 67 GLN HGy 1.0 0.0 3.68 314 261 A 67 GLN HA A 67 GLN HGx 1.0 0.0 3.30 315 261 A 67 GLN HA A 67 GLN HGy 1.0 0.0 3.30 316 262 A 69 LEU H A 68 ASN HBx 1.0 0.0 3.78 317 262 A 69 LEU H A 68 ASN HBy 1.0 0.0 3.78 318 263 A 71 LYS H A 71 LYS HG3 1.0 0.0 4.45 319 263 A 71 LYS H A 71 LYS HG2 1.0 0.0 4.45 320 264 A 72 GLU H A 72 GLU HBy 1.0 0.0 3.13 321 264 A 72 GLU H A 72 GLU HBx 1.0 0.0 3.13 322 265 A 75 LEU H A 75 LEU HBy 1.0 0.0 3.31 323 265 A 75 LEU H A 75 LEU HBx 1.0 0.0 3.31 324 266 A 75 LEU HA A 75 LEU HDx% 1.0 0.0 4.01 325 266 A 75 LEU HA A 75 LEU HDy% 1.0 0.0 4.01 326 267 A 76 PHE H A 75 LEU HBy 1.0 0.0 3.99 327 267 A 76 PHE H A 75 LEU HBx 1.0 0.0 3.99 328 268 A 76 PHE H A 76 PHE HBy 1.0 0.0 3.61 329 268 A 76 PHE H A 76 PHE HBx 1.0 0.0 3.61 stop_ save_