data_nef_c19929_4cz4 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 4cz4 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 ALA middle . . 18 A 69 LEU middle . . 19 A 70 MET 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 1.955 . A 52 ACE CH3 C 13 24.352 . A 53 MET H H 1 8.285 . A 53 MET HA H 1 4.413 . A 53 MET HB2 H 1 1.961 . A 53 MET HB3 H 1 1.961 . A 53 MET HE% H 1 2.001 . A 53 MET HG2 H 1 2.519 . A 53 MET HG3 H 1 2.519 . A 53 MET CA C 13 55.759 . A 53 MET CB C 13 33.158 . A 53 MET CE C 13 16.837 . A 53 MET CG C 13 31.969 . A 53 MET N N 15 126.076 . A 54 THR H H 1 8.036 . A 54 THR HA H 1 4.327 . A 54 THR HB H 1 4.300 . A 54 THR HG2% H 1 1.171 . A 54 THR CA C 13 61.327 . A 54 THR CB C 13 70.285 . A 54 THR CG2 C 13 21.609 . A 54 THR N N 15 114.854 . A 55 ARG H H 1 8.487 . A 55 ARG HA H 1 4.108 . A 55 ARG HBx H 1 1.706 . A 55 ARG HBy H 1 1.766 . A 55 ARG HD2 H 1 3.070 . A 55 ARG HD3 H 1 3.070 . A 55 ARG HGy H 1 1.554 . A 55 ARG HGx H 1 1.502 . A 55 ARG CA C 13 57.442 . A 55 ARG CB C 13 30.315 0.001 A 55 ARG CD C 13 43.207 . A 55 ARG CG C 13 27.069 0.007 A 55 ARG N N 15 122.783 . A 56 SER HA H 1 4.219 . A 56 SER HBy H 1 3.792 . A 56 SER HBx H 1 3.737 . A 56 SER CA C 13 59.314 . A 56 SER CB C 13 63.205 . A 57 ALA H H 1 8.028 . A 57 ALA HA H 1 4.103 . A 57 ALA HB% H 1 1.257 . A 57 ALA CA C 13 53.646 . A 57 ALA CB C 13 18.742 . A 57 ALA N N 15 125.321 . A 58 PHE H H 1 8.065 . A 58 PHE HA H 1 4.217 . A 58 PHE HBy H 1 3.024 . A 58 PHE HBx H 1 2.953 . A 58 PHE CA C 13 59.065 . A 58 PHE CB C 13 39.395 0.001 A 58 PHE N N 15 119.156 . A 59 ALA H H 1 7.782 . A 59 ALA HA H 1 3.979 . A 59 ALA HB% H 1 1.332 . A 59 ALA CA C 13 53.356 . A 59 ALA CB C 13 18.841 . A 59 ALA N N 15 120.302 . A 60 ASN H H 1 7.712 . A 60 ASN HA H 1 4.618 . A 60 ASN HBy H 1 2.789 . A 60 ASN HBx H 1 2.598 . A 60 ASN HD21 H 1 6.789 . A 60 ASN HD22 H 1 7.452 . A 60 ASN CA C 13 52.938 . A 60 ASN CB C 13 39.035 . A 60 ASN N N 15 114.461 . A 60 ASN ND2 N 15 112.611 0.004 A 61 LEU H H 1 7.523 . A 61 LEU HA H 1 4.372 . A 61 LEU HBy H 1 1.510 . A 61 LEU HBx H 1 1.018 . A 61 LEU HDx% H 1 0.628 . A 61 LEU HDy% H 1 0.697 . A 61 LEU HG H 1 1.662 . A 61 LEU CA C 13 53.066 . A 61 LEU CB C 13 41.840 0.007 A 61 LEU CDy C 13 25.946 . A 61 LEU CDx C 13 22.714 . A 61 LEU CG C 13 26.248 . A 61 LEU N N 15 122.165 . A 62 PRO HA H 1 4.289 . A 62 PRO HBy H 1 2.213 . A 62 PRO HBx H 1 1.169 . A 62 PRO HDy H 1 3.717 . A 62 PRO HDx H 1 3.154 . A 62 PRO HGx H 1 1.541 . A 62 PRO HGy H 1 1.965 . A 62 PRO CA C 13 62.569 . A 62 PRO CB C 13 32.245 0.001 A 62 PRO CD C 13 50.063 0.002 A 62 PRO CG C 13 27.680 0.011 A 63 LEU H H 1 8.588 . A 63 LEU HA H 1 3.858 . A 63 LEU HB2 H 1 1.615 . A 63 LEU HB3 H 1 1.615 . A 63 LEU HDx% H 1 0.864 . A 63 LEU HDy% H 1 0.820 . A 63 LEU HG H 1 1.515 . A 63 LEU CA C 13 58.251 . A 63 LEU CB C 13 41.317 . A 63 LEU CDx C 13 23.823 . A 63 LEU CDy C 13 24.338 . A 63 LEU CG C 13 27.068 . A 63 LEU N N 15 124.295 . A 64 TRP H H 1 7.889 . A 64 TRP HA H 1 4.404 . A 64 TRP HBy H 1 3.375 . A 64 TRP HBx H 1 3.210 . A 64 TRP HE1 H 1 10.359 . A 64 TRP CA C 13 58.778 . A 64 TRP CB C 13 27.334 0.002 A 64 TRP N N 15 115.505 . A 64 TRP NE1 N 15 130.220 . A 65 LYS HA H 1 3.730 . A 65 LYS HBy H 1 1.326 . A 65 LYS HBx H 1 0.587 . A 65 LYS HD2 H 1 1.355 . A 65 LYS HD3 H 1 1.355 . A 65 LYS HEy H 1 2.748 . A 65 LYS HEx H 1 2.699 . A 65 LYS HGy H 1 0.810 . A 65 LYS HGx H 1 0.682 . A 65 LYS CA C 13 57.717 . A 65 LYS CB C 13 32.189 0.004 A 65 LYS CD C 13 28.979 . A 65 LYS CE C 13 42.008 0.001 A 65 LYS CG C 13 24.741 0.003 A 66 GLN H H 1 7.673 . A 66 GLN HA H 1 3.643 . A 66 GLN HBx H 1 1.925 . A 66 GLN HBy H 1 1.995 . A 66 GLN HE21 H 1 6.501 . A 66 GLN HE22 H 1 7.206 . A 66 GLN HGy H 1 2.003 . A 66 GLN HGx H 1 1.515 . A 66 GLN CA C 13 58.829 . A 66 GLN CB C 13 28.464 . A 66 GLN CG C 13 33.876 0.002 A 66 GLN N N 15 119.360 . A 66 GLN NE2 N 15 112.145 0.002 A 67 GLN H H 1 8.168 . A 67 GLN HA H 1 3.980 . A 67 GLN HBx H 1 1.980 . A 67 GLN HBy H 1 2.076 . A 67 GLN HE21 H 1 7.383 . A 67 GLN HE22 H 1 6.783 . A 67 GLN HGy H 1 2.443 . A 67 GLN HGx H 1 2.317 . A 67 GLN CA C 13 58.259 . A 67 GLN CB C 13 28.432 0.001 A 67 GLN CG C 13 34.130 0.004 A 67 GLN N N 15 116.563 . A 67 GLN NE2 N 15 111.432 0.001 A 68 ALA H H 1 7.725 . A 68 ALA HA H 1 4.147 . A 68 ALA HB% H 1 1.496 . A 68 ALA CA C 13 54.679 . A 68 ALA CB C 13 18.320 . A 68 ALA N N 15 122.499 . A 69 LEU H H 1 7.978 . A 69 LEU HA H 1 4.124 . A 69 LEU HBy H 1 1.779 . A 69 LEU HBx H 1 1.475 . A 69 LEU HDx% H 1 0.753 . A 69 LEU HDy% H 1 0.787 . A 69 LEU HG H 1 1.647 . A 69 LEU CA C 13 56.906 . A 69 LEU CB C 13 42.121 0.003 A 69 LEU CDy C 13 25.674 . A 69 LEU CDx C 13 23.240 . A 69 LEU CG C 13 27.068 . A 69 LEU N N 15 119.239 . A 70 MET H H 1 7.908 . A 70 MET HA H 1 4.200 . A 70 MET HBx H 1 2.043 . A 70 MET HBy H 1 2.085 . A 70 MET HE% H 1 1.980 . A 70 MET HGy H 1 2.702 . A 70 MET HGx H 1 2.534 . A 70 MET CA C 13 57.267 . A 70 MET CB C 13 32.555 0.001 A 70 MET CE C 13 16.942 . A 70 MET CG C 13 32.270 0.002 A 70 MET N N 15 118.227 . A 71 LYS H H 1 7.850 . A 71 LYS HA H 1 4.126 . A 71 LYS HBy H 1 1.841 . A 71 LYS HBx H 1 1.753 . A 71 LYS HD2 H 1 1.630 . A 71 LYS HD3 H 1 1.630 . A 71 LYS HE2 H 1 2.908 . A 71 LYS HE3 H 1 2.908 . A 71 LYS HGy H 1 1.463 . A 71 LYS HGx H 1 1.376 . A 71 LYS CA C 13 57.860 . A 71 LYS CB C 13 32.790 0.016 A 71 LYS CD C 13 29.229 . A 71 LYS CE C 13 42.118 . A 71 LYS CG C 13 24.921 0.006 A 71 LYS N N 15 120.040 . A 72 GLU HA H 1 4.129 . A 72 GLU HB2 H 1 2.030 . A 72 GLU HB3 H 1 2.030 . A 72 GLU HGy H 1 2.298 . A 72 GLU HGx H 1 2.212 . A 72 GLU CA C 13 57.453 . A 72 GLU CB C 13 30.060 . A 72 GLU CG C 13 36.319 0.001 A 73 LYS HA H 1 4.214 . A 73 LYS HB2 H 1 1.839 . A 73 LYS HB3 H 1 1.839 . A 73 LYS HD2 H 1 1.605 . A 73 LYS HD3 H 1 1.605 . A 73 LYS CA C 13 56.627 . A 73 LYS CB C 13 32.599 . A 73 LYS CD C 13 28.997 . A 74 GLY H H 1 8.084 . A 74 GLY HA2 H 1 3.850 . A 74 GLY HA3 H 1 3.850 . A 74 GLY CA C 13 45.662 . A 74 GLY N N 15 108.551 . A 75 LEU H H 1 7.794 . A 75 LEU HA H 1 4.112 . A 75 LEU HBy H 1 1.330 . A 75 LEU HBx H 1 1.218 . A 75 LEU HDx% H 1 0.673 . A 75 LEU HDy% H 1 0.738 . A 75 LEU HG H 1 1.311 . A 75 LEU CA C 13 55.502 . A 75 LEU CB C 13 42.369 0.005 A 75 LEU CDx C 13 23.497 . A 75 LEU CDy C 13 24.879 . A 75 LEU CG C 13 26.785 . A 75 LEU N N 15 120.959 . A 76 PHE H H 1 7.971 . A 76 PHE HA H 1 4.504 . A 76 PHE HBy H 1 3.107 . A 76 PHE HBx H 1 2.848 . A 76 PHE CA C 13 57.174 . A 76 PHE CB C 13 39.394 . A 76 PHE N N 15 119.166 . A 77 NH2 HNx H 1 6.995 . A 77 NH2 HNy H 1 7.283 . A 77 NH2 N N 15 107.980 0.001 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 63 LEU HA A 67 GLN H 1.0 0.0 4.52 2 2 A 63 LEU HA A 66 GLN H 1.0 0.0 3.60 3 3 A 66 GLN HA A 69 LEU H 1.0 0.0 3.99 4 4 A 64 TRP H A 64 TRP HBy 1.0 0.0 3.62 5 5 A 64 TRP H A 64 TRP HBx 1.0 0.0 2.93 6 6 A 67 GLN H A 67 GLN HBx 1.0 0.0 2.93 7 7 A 69 LEU HBy A 70 MET H 1.0 0.0 3.44 8 8 A 69 LEU H A 69 LEU HBy 1.0 0.0 2.78 9 9 A 69 LEU H A 68 ALA HB% 1.0 0.0 2.94 10 10 A 70 MET H A 69 LEU HBx 1.0 0.0 3.48 11 11 A 69 LEU H A 69 LEU HG 1.0 0.0 2.92 12 12 A 64 TRP H A 63 LEU HB3 1.0 0.0 3.12 13 12 A 64 TRP H A 63 LEU HB2 1.0 0.0 3.12 14 13 A 66 GLN H A 66 GLN HGx 1.0 0.0 3.47 15 14 A 64 TRP H A 62 PRO HBy 1.0 0.0 3.74 16 15 A 61 LEU H A 61 LEU HG 1.0 0.0 3.01 17 16 A 61 LEU H A 61 LEU HBy 1.0 0.0 2.81 18 17 A 67 GLN H A 64 TRP HBy 1.0 0.0 5.50 19 18 A 67 GLN H A 67 GLN HGx 1.0 0.0 3.32 20 19 A 58 PHE H A 58 PHE HBx 1.0 0.0 3.71 21 20 A 64 TRP HBx A 64 TRP HE1 1.0 0.0 4.99 22 21 A 64 TRP HE1 A 62 PRO HBx 1.0 0.0 3.70 23 22 A 64 TRP HE1 A 62 PRO HGx 1.0 0.0 3.88 24 23 A 57 ALA HA A 60 ASN HD21 1.0 0.0 4.96 25 24 A 64 TRP HE1 A 65 LYS HGx 1.0 0.0 5.12 26 25 A 64 TRP HE1 A 65 LYS HGy 1.0 0.0 5.28 27 26 A 64 TRP HE1 A 65 LYS HBy 1.0 0.0 5.08 28 27 A 64 TRP HE1 A 62 PRO HA 1.0 0.0 5.43 29 28 A 64 TRP HE1 A 62 PRO HDx 1.0 0.0 5.11 30 29 A 67 GLN HA A 71 LYS H 1.0 0.0 4.86 31 30 A 58 PHE H A 55 ARG HA 1.0 0.0 4.00 32 31 A 58 PHE HA A 59 ALA H 1.0 0.0 3.56 33 32 A 66 GLN HGx A 63 LEU H 1.0 0.0 5.50 34 33 A 64 TRP H A 65 LYS HA 1.0 0.0 5.48 35 34 A 66 GLN HA A 70 MET H 1.0 0.0 4.53 36 35 A 69 LEU H A 65 LYS HA 1.0 0.0 4.18 37 36 A 64 TRP H A 65 LYS HBy 1.0 0.0 5.10 38 37 A 61 LEU H A 59 ALA HB% 1.0 0.0 4.46 39 38 A 75 LEU H A 75 LEU HG 1.0 0.0 3.70 40 39 A 67 GLN HGx A 68 ALA H 1.0 0.0 4.92 41 40 A 67 GLN HBx A 68 ALA H 1.0 0.0 3.59 42 41 A 69 LEU HG A 68 ALA H 1.0 0.0 4.74 43 42 A 67 GLN H A 65 LYS HA 1.0 0.0 4.63 44 43 A 55 ARG HA A 55 ARG HD2 1.0 0.0 4.25 45 43 A 55 ARG HA A 55 ARG HD3 1.0 0.0 4.25 46 44 A 61 LEU H A 62 PRO HDx 1.0 0.0 5.08 47 45 A 70 MET H A 70 MET HGx 1.0 0.0 3.34 48 46 A 70 MET H A 70 MET HGy 1.0 0.0 3.51 49 47 A 67 GLN HBy A 67 GLN HE21 1.0 0.0 5.27 50 48 A 67 GLN HE22 A 63 LEU HB3 1.0 0.0 5.22 51 48 A 63 LEU HB2 A 67 GLN HE22 1.0 0.0 5.22 52 49 A 67 GLN HE22 A 63 LEU HG 1.0 0.0 4.52 53 50 A 67 GLN HE21 A 63 LEU HB3 1.0 0.0 5.23 54 50 A 63 LEU HB2 A 67 GLN HE21 1.0 0.0 5.23 55 51 A 64 TRP HE1 A 62 PRO HGy 1.0 0.0 3.88 56 52 A 62 PRO HBy A 64 TRP HE1 1.0 0.0 3.67 57 53 A 66 GLN HA A 66 GLN HE21 1.0 0.0 3.09 58 54 A 61 LEU H A 60 ASN HBy 1.0 0.0 4.20 59 55 A 66 GLN H A 66 GLN HGy 1.0 0.0 2.69 60 56 A 66 GLN H A 65 LYS HGx 1.0 0.0 5.20 61 57 A 66 GLN H A 65 LYS HBy 1.0 0.0 3.74 62 58 A 67 GLN H A 63 LEU HG 1.0 0.0 5.19 63 59 A 67 GLN H A 66 GLN HGx 1.0 0.0 5.50 64 60 A 53 MET H A 53 MET HB2 1.0 0.0 3.77 65 60 A 53 MET H A 53 MET HB3 1.0 0.0 3.77 66 61 A 58 PHE HA A 57 ALA HB% 1.0 0.0 3.85 67 62 A 61 LEU H A 53 MET HE% 1.0 0.0 5.01 68 63 A 69 LEU H A 70 MET HGy 1.0 0.0 5.06 69 64 A 69 LEU H A 70 MET HGx 1.0 0.0 5.46 70 65 A 71 LYS H A 70 MET HGx 1.0 0.0 5.06 71 66 A 71 LYS H A 71 LYS HGy 1.0 0.0 4.54 72 67 A 72 GLU HA A 72 GLU HGy 1.0 0.0 3.92 73 68 A 72 GLU HA A 72 GLU HGx 1.0 0.0 3.92 74 69 A 75 LEU HBx A 76 PHE H 1.0 0.0 4.49 75 70 A 69 LEU H A 67 GLN HA 1.0 0.0 4.40 76 71 A 76 PHE H A 74 GLY HA2 1.0 0.0 4.86 77 71 A 76 PHE H A 74 GLY HA3 1.0 0.0 4.86 78 72 A 66 GLN HE21 A 69 LEU HDx% 1.0 0.0 3.24 79 73 A 66 GLN HE21 A 61 LEU HDx% 1.0 0.0 3.64 80 74 A 57 ALA HA A 60 ASN HBy 1.0 0.0 4.23 81 75 A 65 LYS HGy A 68 ALA H 1.0 0.0 5.50 82 76 A 61 LEU HG A 61 LEU HA 1.0 0.0 3.64 83 77 A 60 ASN HD21 A 59 ALA HA 1.0 0.0 5.49 84 78 A 56 SER HA A 60 ASN HD22 1.0 0.0 5.32 85 79 A 66 GLN HE21 A 61 LEU HBx 1.0 0.0 4.39 86 80 A 61 LEU HBy A 66 GLN HE21 1.0 0.0 2.89 87 81 A 69 LEU HBy A 66 GLN HE21 1.0 0.0 4.16 88 82 A 66 GLN HE21 A 66 GLN HBy 1.0 0.0 3.52 89 83 A 66 GLN H A 69 LEU HBy 1.0 0.0 5.36 90 84 A 76 PHE H A 75 LEU HDx% 1.0 0.0 4.69 91 85 A 69 LEU H A 61 LEU HDx% 1.0 0.0 5.50 92 86 A 65 LYS HGx A 62 PRO HDy 1.0 0.0 4.76 93 87 A 62 PRO HDy A 61 LEU HDy% 1.0 0.0 3.62 94 88 A 66 GLN HA A 69 LEU HG 1.0 0.0 5.26 95 89 A 61 LEU HDx% A 58 PHE HBy 1.0 0.0 4.56 96 90 A 58 PHE HBx A 61 LEU HDx% 1.0 0.0 4.61 97 91 A 67 GLN H A 65 LYS HBx 1.0 0.0 5.29 98 92 A 67 GLN HGx A 63 LEU HG 1.0 0.0 3.94 99 93 A 69 LEU HDx% A 53 MET HG3 1.0 0.0 4.66 100 93 A 69 LEU HDx% A 53 MET HG2 1.0 0.0 4.66 101 94 A 63 LEU HDy% A 63 LEU HB3 1.0 0.0 2.91 102 94 A 63 LEU HB2 A 63 LEU HDy% 1.0 0.0 2.91 103 95 A 61 LEU HBx A 65 LYS HBx 1.0 0.0 3.40 104 96 A 57 ALA HB% A 53 MET HG3 1.0 0.0 3.70 105 96 A 57 ALA HB% A 53 MET HG2 1.0 0.0 3.70 106 97 A 67 GLN HGx A 63 LEU HDx% 1.0 0.0 3.87 107 98 A 63 LEU HDx% A 67 GLN HGy 1.0 0.0 4.13 108 99 A 66 GLN HGy A 63 LEU HDx% 1.0 0.0 3.86 109 100 A 63 LEU HDx% A 63 LEU HB3 1.0 0.0 3.08 110 100 A 63 LEU HB2 A 63 LEU HDx% 1.0 0.0 3.08 111 101 A 61 LEU HBy A 61 LEU HDx% 1.0 0.0 2.72 112 102 A 53 MET HE% A 61 LEU HDx% 1.0 0.0 3.27 113 103 A 70 MET HGy A 69 LEU HDx% 1.0 0.0 5.09 114 104 A 62 PRO HDy A 65 LYS HBx 1.0 0.0 3.45 115 105 A 61 LEU HBx A 62 PRO HDy 1.0 0.0 3.12 116 106 A 65 LYS HBy A 62 PRO HDy 1.0 0.0 3.72 117 107 A 66 GLN HA A 69 LEU HBy 1.0 0.0 3.65 118 108 A 67 GLN HA A 67 GLN HGy 1.0 0.0 3.50 119 109 A 67 GLN HGx A 67 GLN HA 1.0 0.0 3.74 120 110 A 63 LEU HA A 63 LEU HB3 1.0 0.0 2.82 121 110 A 63 LEU HA A 63 LEU HB2 1.0 0.0 2.82 122 111 A 63 LEU HA A 63 LEU HG 1.0 0.0 3.95 123 112 A 63 LEU HA A 66 GLN HGx 1.0 0.0 4.13 124 113 A 68 ALA HB% A 65 LYS HA 1.0 0.0 2.81 125 114 A 66 GLN HA A 66 GLN HGx 1.0 0.0 3.87 126 115 A 66 GLN HA A 69 LEU HDx% 1.0 0.0 3.67 127 116 A 66 GLN HA A 61 LEU HDx% 1.0 0.0 4.21 128 117 A 62 PRO HDx A 61 LEU HDy% 1.0 0.0 3.54 129 118 A 62 PRO HDx A 61 LEU HBx 1.0 0.0 3.48 130 119 A 63 LEU HA A 63 LEU HDx% 1.0 0.0 3.00 131 120 A 63 LEU HA A 63 LEU HDy% 1.0 0.0 3.84 132 121 A 69 LEU HA A 69 LEU HDy% 1.0 0.0 2.69 133 122 A 53 MET HE% A 69 LEU HDy% 1.0 0.0 4.16 134 123 A 69 LEU HBy A 69 LEU HDy% 1.0 0.0 3.46 135 124 A 69 LEU HBx A 69 LEU HDx% 1.0 0.0 2.94 136 125 A 69 LEU HBy A 69 LEU HDx% 1.0 0.0 3.01 137 126 A 53 MET HE% A 61 LEU HBx 1.0 0.0 4.67 138 127 A 66 GLN HGy A 61 LEU HBx 1.0 0.0 5.12 139 128 A 67 GLN HGx A 63 LEU HB3 1.0 0.0 4.67 140 128 A 63 LEU HB2 A 67 GLN HGx 1.0 0.0 4.67 141 129 A 63 LEU HA A 66 GLN HGy 1.0 0.0 3.08 142 130 A 61 LEU HG A 58 PHE HA 1.0 0.0 3.38 143 131 A 69 LEU HG A 69 LEU HA 1.0 0.0 3.34 144 132 A 70 MET HGx A 70 MET HA 1.0 0.0 3.89 145 133 A 55 ARG HA A 58 PHE HBy 1.0 0.0 3.99 146 134 A 58 PHE HBx A 55 ARG HA 1.0 0.0 3.78 147 135 A 61 LEU HA A 62 PRO HDy 1.0 0.0 3.04 148 136 A 62 PRO HDx A 61 LEU HA 1.0 0.0 3.41 149 137 A 61 LEU HA A 61 LEU HDy% 1.0 0.0 2.61 150 138 A 58 PHE HA A 61 LEU HDx% 1.0 0.0 2.98 151 139 A 75 LEU HA A 75 LEU HDx% 1.0 0.0 3.62 152 140 A 75 LEU HA A 75 LEU HDy% 1.0 0.0 3.62 153 141 A 70 MET HA A 75 LEU HDy% 1.0 0.0 4.98 154 142 A 62 PRO HBy A 65 LYS HBy 1.0 0.0 3.90 155 143 A 61 LEU HBx A 61 LEU HDy% 1.0 0.0 2.93 156 144 A 61 LEU HDx% A 61 LEU HBx 1.0 0.0 2.92 157 145 A 58 PHE HBy A 53 MET HG3 1.0 0.0 4.49 158 145 A 58 PHE HBy A 53 MET HG2 1.0 0.0 4.49 159 146 A 64 TRP HBy A 63 LEU HB3 1.0 0.0 5.44 160 146 A 64 TRP HBy A 63 LEU HB2 1.0 0.0 5.44 161 147 A 67 GLN HA A 70 MET HGx 1.0 0.0 4.47 162 148 A 67 GLN HGx A 64 TRP HA 1.0 0.0 4.60 163 149 A 72 GLU HA A 72 GLU HB2 1.0 0.0 2.86 164 149 A 72 GLU HA A 72 GLU HB3 1.0 0.0 2.86 165 150 A 66 GLN H A 62 PRO HDy 1.0 0.0 5.37 166 151 A 58 PHE H A 53 MET HG3 1.0 0.0 4.54 167 151 A 58 PHE H A 53 MET HG2 1.0 0.0 4.54 168 152 A 63 LEU H A 66 GLN HGy 1.0 0.0 5.50 169 153 A 70 MET H A 75 LEU HDx% 1.0 0.0 5.33 170 154 A 58 PHE H A 61 LEU HDx% 1.0 0.0 5.50 171 155 A 59 ALA H A 61 LEU HDx% 1.0 0.0 5.50 172 156 A 69 LEU HG A 66 GLN HE21 1.0 0.0 5.04 173 157 A 67 GLN H A 70 MET H 1.0 0.0 5.50 174 158 A 66 GLN H A 66 GLN HE21 1.0 0.0 4.05 175 159 A 59 ALA HB% A 60 ASN HD22 1.0 0.0 4.43 176 160 A 62 PRO HA A 63 LEU HB3 1.0 0.0 4.53 177 160 A 63 LEU HB2 A 62 PRO HA 1.0 0.0 4.53 178 161 A 61 LEU HA A 65 LYS HBx 1.0 0.0 4.56 179 162 A 57 ALA HB% A 54 THR HB 1.0 0.0 4.92 180 163 A 57 ALA HB% A 53 MET HA 1.0 0.0 4.29 181 164 A 68 ALA HB% A 67 GLN HGx 1.0 0.0 5.23 182 165 A 69 LEU HBy A 70 MET HGx 1.0 0.0 5.06 183 166 A 66 GLN H A 67 GLN HA 1.0 0.0 5.33 184 167 A 66 GLN H A 67 GLN HGx 1.0 0.0 5.11 185 168 A 61 LEU H A 58 PHE HBx 1.0 0.0 5.50 186 169 A 61 LEU H A 58 PHE HBy 1.0 0.0 5.50 187 170 A 64 TRP H A 63 LEU HG 1.0 0.0 3.90 188 171 A 67 GLN HE22 A 64 TRP HA 1.0 0.0 5.50 189 172 A 65 LYS HA A 66 GLN HE21 1.0 0.0 5.13 190 173 A 69 LEU H A 66 GLN HE21 1.0 0.0 5.23 191 174 A 63 LEU H A 63 LEU HB3 1.0 0.0 3.66 192 174 A 63 LEU HB2 A 63 LEU H 1.0 0.0 3.66 193 175 A 68 ALA H A 67 GLN HBy 1.0 0.0 4.07 194 176 A 71 LYS H A 68 ALA HA 1.0 0.0 4.17 195 177 A 75 LEU H A 71 LYS HA 1.0 0.0 3.92 196 178 A 66 GLN H A 61 LEU HBx 1.0 0.0 4.77 197 179 A 66 GLN HE21 A 65 LYS HD2 1.0 0.0 4.47 198 179 A 66 GLN HE21 A 65 LYS HD3 1.0 0.0 4.47 199 180 A 74 GLY H A 73 LYS HB3 1.0 0.0 4.08 200 180 A 73 LYS HB2 A 74 GLY H 1.0 0.0 4.08 201 181 A 67 GLN H A 69 LEU HBy 1.0 0.0 5.50 202 182 A 58 PHE HA A 66 GLN HE21 1.0 0.0 4.41 203 183 A 70 MET H A 66 GLN HE21 1.0 0.0 5.50 204 184 A 66 GLN HE21 A 58 PHE HBy 1.0 0.0 5.50 205 185 A 61 LEU HG A 66 GLN HE21 1.0 0.0 4.95 206 186 A 70 MET HGy A 70 MET HA 1.0 0.0 3.97 207 187 A 65 LYS HBy A 65 LYS H 1.0 0.0 3.62 208 188 A 62 PRO HBy A 65 LYS H 1.0 0.0 3.96 209 189 A 65 LYS H A 63 LEU HB3 1.0 0.0 5.50 210 190 A 65 LYS HGy A 65 LYS H 1.0 0.0 4.56 211 191 A 65 LYS HGx A 65 LYS H 1.0 0.0 4.79 212 192 A 61 LEU HBx A 65 LYS H 1.0 0.0 5.19 213 193 A 63 LEU HDx% A 65 LYS H 1.0 0.0 5.50 214 194 A 67 GLN HE22 A 63 LEU HDx% 1.0 0.0 4.66 215 195 A 67 GLN HE22 A 63 LEU HDy% 1.0 0.0 4.38 216 196 A 67 GLN HE21 A 63 LEU HDx% 1.0 0.0 4.34 217 197 A 67 GLN HE21 A 63 LEU HDy% 1.0 0.0 3.87 218 198 A 63 LEU HA A 65 LYS H 1.0 0.0 4.74 219 199 A 66 GLN HA A 65 LYS H 1.0 0.0 5.22 220 200 A 64 TRP HBy A 65 LYS H 1.0 0.0 4.62 221 201 A 64 TRP HBx A 65 LYS H 1.0 0.0 4.67 222 202 A 62 PRO HDy A 65 LYS H 1.0 0.0 5.01 223 203 A 62 PRO HA A 65 LYS H 1.0 0.0 5.01 224 204 A 66 GLN HBx A 66 GLN HE22 1.0 0.0 5.23 225 205 A 62 PRO HBx A 65 LYS H 1.0 0.0 4.70 226 206 A 64 TRP H A 65 LYS H 1.0 0.0 3.37 227 207 A 58 PHE HA A 58 PHE HD% 1.0 0.0 3.09 228 208 A 59 ALA HA A 58 PHE HD% 1.0 0.0 3.58 229 209 A 55 ARG HA A 58 PHE HD% 1.0 0.0 4.56 230 210 A 59 ALA HA A 58 PHE HE% 1.0 0.0 4.03 231 211 A 70 MET HGy A 58 PHE HE% 1.0 0.0 3.72 232 212 A 70 MET HGx A 58 PHE HE% 1.0 0.0 3.48 233 213 A 65 LYS H A 66 GLN HBx 1.0 0.0 4.93 234 214 A 61 LEU HBy A 66 GLN HE22 1.0 0.0 4.59 235 215 A 59 ALA HB% A 66 GLN HE22 1.0 0.0 5.12 236 216 A 65 LYS HBx A 66 GLN HE22 1.0 0.0 4.26 237 217 A 70 MET HGx A 58 PHE HD% 1.0 0.0 5.50 238 218 A 69 LEU HDx% A 58 PHE HD% 1.0 0.0 3.33 239 219 A 69 LEU HDx% A 58 PHE HE% 1.0 0.0 3.22 240 220 A 60 ASN HBy A 60 ASN HD22 1.0 0.0 3.59 241 221 A 67 GLN HE21 A 63 LEU HG 1.0 0.0 3.21 242 222 A 61 LEU H A 61 LEU HBx 1.0 0.0 3.62 243 223 A 61 LEU H A 61 LEU HDx% 1.0 0.0 3.72 244 224 A 61 LEU H A 61 LEU HDy% 1.0 0.0 3.74 245 225 A 62 PRO HBy A 64 TRP HD1 1.0 0.0 3.28 246 226 A 62 PRO HA A 63 LEU H 1.0 0.0 2.86 247 227 A 54 THR HA A 55 ARG H 1.0 0.0 3.33 248 228 A 66 GLN H A 65 LYS HGy 1.0 0.0 5.02 249 229 A 66 GLN H A 63 LEU HDx% 1.0 0.0 4.62 250 230 A 66 GLN H A 69 LEU HDx% 1.0 0.0 5.50 251 231 A 63 LEU H A 63 LEU HDx% 1.0 0.0 4.40 252 232 A 63 LEU H A 63 LEU HDy% 1.0 0.0 4.33 253 233 A 62 PRO HBy A 63 LEU H 1.0 0.0 4.33 254 234 A 63 LEU H A 63 LEU HG 1.0 0.0 4.63 255 235 A 63 LEU H A 63 LEU HB3 1.0 0.0 3.58 256 236 A 63 LEU HB2 A 63 LEU H 1.0 0.0 3.47 257 237 A 63 LEU HB2 A 65 LYS H 1.0 0.0 5.50 258 238 A 62 PRO HBx A 63 LEU H 1.0 0.0 4.14 259 239 A 70 MET H A 70 MET HBy 1.0 0.0 3.67 260 240 A 66 GLN H A 66 GLN HBx 1.0 0.0 2.99 261 241 A 72 GLU H A 72 GLU HB2 1.0 0.0 2.98 262 241 A 72 GLU HB3 A 72 GLU H 1.0 0.0 2.98 263 242 A 67 GLN H A 67 GLN HBy 1.0 0.0 3.65 264 243 A 66 GLN H A 65 LYS HBx 1.0 0.0 3.44 265 244 A 75 LEU H A 75 LEU HBy 1.0 0.0 3.35 266 245 A 69 LEU HBy A 58 PHE HE% 1.0 0.0 3.40 267 246 A 66 GLN HE21 A 66 GLN HBx 1.0 0.0 3.96 268 247 A 58 PHE HD% A 70 MET HE% 1.0 0.0 3.66 269 248 A 68 ALA HB% A 68 ALA H 1.0 0.0 2.75 270 249 A 67 GLN H A 66 GLN HGy 1.0 0.0 4.12 271 250 A 67 GLN H A 66 GLN HBx 1.0 0.0 3.44 272 251 A 58 PHE HE% A 70 MET HE% 1.0 0.0 5.50 273 252 A 58 PHE HE% A 70 MET HBx 1.0 0.0 4.72 274 253 A 66 GLN HE21 A 65 LYS HBx 1.0 0.0 3.48 275 254 A 69 LEU HBx A 58 PHE HE% 1.0 0.0 3.57 276 255 A 61 LEU HDx% A 58 PHE HE% 1.0 0.0 4.24 277 256 A 69 LEU HDy% A 58 PHE HE% 1.0 0.0 4.95 278 257 A 61 LEU HDx% A 58 PHE HD% 1.0 0.0 4.13 279 258 A 69 LEU HDy% A 58 PHE HD% 1.0 0.0 4.84 280 259 A 69 LEU HBx A 58 PHE HD% 1.0 0.0 4.05 281 260 A 75 LEU HBy A 76 PHE HD% 1.0 0.0 3.84 282 261 A 59 ALA HB% A 58 PHE HD% 1.0 0.0 3.83 283 262 A 68 ALA HB% A 64 TRP HZ3 1.0 0.0 3.96 284 263 A 68 ALA HB% A 64 TRP HH2 1.0 0.0 5.50 285 264 A 68 ALA HB% A 64 TRP HE3 1.0 0.0 3.59 286 265 A 64 TRP HBy A 64 TRP HE3 1.0 0.0 3.34 287 266 A 64 TRP HZ2 A 62 PRO HGx 1.0 0.0 4.34 288 267 A 64 TRP HZ2 A 62 PRO HGy 1.0 0.0 4.34 289 268 A 64 TRP HBx A 64 TRP HD1 1.0 0.0 3.20 290 269 A 64 TRP HBy A 64 TRP HD1 1.0 0.0 3.80 291 270 A 65 LYS HA A 64 TRP HE3 1.0 0.0 3.45 292 271 A 71 LYS H A 70 MET HBx 1.0 0.0 3.89 293 272 A 71 LYS H A 70 MET HBy 1.0 0.0 4.05 294 273 A 70 MET H A 70 MET HE% 1.0 0.0 4.28 295 274 A 67 GLN HBx A 71 LYS H 1.0 0.0 5.50 296 275 A 71 LYS H A 70 MET HE% 1.0 0.0 5.50 297 276 A 54 THR H A 53 MET HB2 1.0 0.0 4.53 298 276 A 53 MET HB3 A 54 THR H 1.0 0.0 4.53 299 277 A 74 GLY H A 72 GLU HB2 1.0 0.0 4.93 300 277 A 72 GLU HB3 A 74 GLY H 1.0 0.0 4.93 301 278 A 69 LEU H A 67 GLN HBy 1.0 0.0 5.50 302 279 A 72 GLU H A 72 GLU HGy 1.0 0.0 4.14 303 280 A 64 TRP H A 62 PRO HBx 1.0 0.0 4.90 304 281 A 72 GLU H A 72 GLU HGx 1.0 0.0 4.14 305 282 A 67 GLN H A 67 GLN HGy 1.0 0.0 3.78 306 283 A 53 MET H A 53 MET HG2 1.0 0.0 5.30 307 284 A 53 MET H A 53 MET HG3 1.0 0.0 5.30 308 285 A 53 MET HG2 A 54 THR H 1.0 0.0 5.50 309 286 A 54 THR H A 53 MET HG3 1.0 0.0 5.50 310 287 A 58 PHE H A 58 PHE HBy 1.0 0.0 3.09 311 288 A 58 PHE HBx A 59 ALA H 1.0 0.0 3.49 312 289 A 67 GLN H A 64 TRP HA 1.0 0.0 3.61 313 290 A 58 PHE HA A 58 PHE HE% 1.0 0.0 4.87 314 291 A 70 MET HA A 58 PHE HE% 1.0 0.0 4.47 315 292 A 58 PHE HE% A 70 MET HBy 1.0 0.0 5.20 316 293 A 53 MET HA A 54 THR H 1.0 0.0 3.26 317 294 A 69 LEU H A 69 LEU HBx 1.0 0.0 3.64 318 295 A 54 THR H A 54 THR HG2% 1.0 0.0 3.52 319 296 A 57 ALA HB% A 54 THR H 1.0 0.0 3.83 320 297 A 64 TRP H A 64 TRP HA 1.0 0.0 2.85 321 298 A 67 GLN HBx A 67 GLN HE21 1.0 0.0 4.69 322 299 A 67 GLN HE21 A 66 GLN HBx 1.0 0.0 4.38 323 300 A 60 ASN HD21 A 59 ALA HB% 1.0 0.0 4.92 324 301 A 60 ASN HD21 A 57 ALA HB% 1.0 0.0 5.32 325 302 A 57 ALA HB% A 60 ASN HD22 1.0 0.0 5.50 326 303 A 67 GLN HBx A 67 GLN HE22 1.0 0.0 5.15 327 304 A 67 GLN HBy A 67 GLN HE22 1.0 0.0 5.34 328 305 A 75 LEU H A 75 LEU HBx 1.0 0.0 3.89 329 306 A 69 LEU H A 69 LEU HDy% 1.0 0.0 3.91 330 307 A 69 LEU H A 69 LEU HDx% 1.0 0.0 3.90 331 308 A 70 MET H A 69 LEU HDy% 1.0 0.0 4.58 332 309 A 70 MET H A 69 LEU HDx% 1.0 0.0 4.43 333 310 A 75 LEU H A 75 LEU HDx% 1.0 0.0 4.33 334 311 A 75 LEU H A 75 LEU HDy% 1.0 0.0 4.33 335 312 A 66 GLN H A 62 PRO HBy 1.0 0.0 5.23 336 313 A 66 GLN H A 61 LEU HDx% 1.0 0.0 5.24 337 314 A 69 LEU H A 65 LYS HGy 1.0 0.0 5.50 338 315 A 76 PHE H A 75 LEU HDy% 1.0 0.0 4.69 339 316 A 59 ALA H A 61 LEU HDy% 1.0 0.0 5.50 340 317 A 67 GLN H A 63 LEU HDx% 1.0 0.0 4.39 341 318 A 64 TRP H A 63 LEU HDx% 1.0 0.0 4.63 342 319 A 64 TRP H A 63 LEU HDy% 1.0 0.0 4.35 343 320 A 58 PHE H A 57 ALA HB% 1.0 0.0 3.30 344 321 A 67 GLN H A 68 ALA HB% 1.0 0.0 4.15 345 322 A 76 PHE H A 71 LYS HA 1.0 0.0 2.84 346 323 A 59 ALA H A 60 ASN H 1.0 0.0 3.60 347 324 A 59 ALA H A 58 PHE HD% 1.0 0.0 3.65 348 325 A 58 PHE H A 58 PHE HD% 1.0 0.0 4.23 349 326 A 57 ALA HB% A 57 ALA H 1.0 0.0 3.24 350 327 A 76 PHE H A 75 LEU HBy 1.0 0.0 3.64 351 328 A 59 ALA H A 59 ALA HB% 1.0 0.0 2.69 352 329 A 58 PHE H A 59 ALA H 1.0 0.0 3.36 353 330 A 61 LEU H A 60 ASN H 1.0 0.0 3.27 354 331 A 60 ASN HBy A 60 ASN H 1.0 0.0 3.49 355 332 A 60 ASN H A 60 ASN HBx 1.0 0.0 3.74 356 333 A 61 LEU H A 60 ASN HA 1.0 0.0 3.55 357 334 A 61 LEU H A 58 PHE HA 1.0 0.0 4.14 358 335 A 61 LEU H A 59 ALA HA 1.0 0.0 4.18 359 336 A 61 LEU H A 60 ASN HBx 1.0 0.0 4.27 360 337 A 67 GLN H A 66 GLN H 1.0 0.0 3.13 361 338 A 67 GLN H A 68 ALA H 1.0 0.0 3.13 362 339 A 69 LEU H A 68 ALA H 1.0 0.0 3.12 363 340 A 75 LEU H A 74 GLY H 1.0 0.0 3.75 364 341 A 64 TRP H A 63 LEU H 1.0 0.0 3.60 365 342 A 63 LEU H A 64 TRP HD1 1.0 0.0 4.65 366 343 A 69 LEU H A 58 PHE HE% 1.0 0.0 4.49 367 344 A 70 MET H A 58 PHE HE% 1.0 0.0 4.14 368 345 A 66 GLN HA A 58 PHE HE% 1.0 0.0 3.20 369 346 A 66 GLN HA A 58 PHE HD% 1.0 0.0 4.16 370 347 A 58 PHE HA A 60 ASN H 1.0 0.0 4.92 371 348 A 57 ALA HA A 60 ASN H 1.0 0.0 4.53 372 349 A 59 ALA H A 56 SER HA 1.0 0.0 4.08 373 350 A 74 GLY H A 74 GLY HA2 1.0 0.0 2.86 374 350 A 74 GLY HA3 A 74 GLY H 1.0 0.0 2.86 375 351 A 70 MET H A 67 GLN HA 1.0 0.0 3.85 376 352 A 75 LEU H A 74 GLY HA2 1.0 0.0 3.07 377 352 A 75 LEU H A 74 GLY HA3 1.0 0.0 3.07 378 353 A 70 MET H A 69 LEU HG 1.0 0.0 4.63 379 354 A 59 ALA HB% A 60 ASN H 1.0 0.0 3.59 380 355 A 73 LYS HB2 A 74 GLY H 1.0 0.0 4.67 381 356 A 74 GLY H A 73 LYS HB3 1.0 0.0 4.67 382 357 A 71 LYS H A 71 LYS HGx 1.0 0.0 4.54 383 358 A 69 LEU H A 70 MET H 1.0 0.0 3.01 384 359 A 70 MET H A 71 LYS H 1.0 0.0 3.04 385 360 A 71 LYS H A 72 GLU H 1.0 0.0 3.13 386 361 A 69 LEU H A 71 LYS H 1.0 0.0 4.26 387 362 A 75 LEU H A 76 PHE H 1.0 0.0 3.58 388 363 A 64 TRP HA A 64 TRP HE3 1.0 0.0 4.09 389 364 A 58 PHE H A 59 ALA HB% 1.0 0.0 4.67 390 365 A 58 PHE H A 57 ALA H 1.0 0.0 3.83 391 366 A 70 MET H A 72 GLU H 1.0 0.0 4.50 392 367 A 61 LEU H A 59 ALA H 1.0 0.0 4.58 393 368 A 70 MET H A 68 ALA H 1.0 0.0 4.63 394 369 A 74 GLY H A 73 LYS HA 1.0 0.0 3.54 395 370 A 71 LYS HA A 74 GLY H 1.0 0.0 4.26 396 371 A 68 ALA H A 64 TRP HA 1.0 0.0 4.19 397 372 A 73 LYS H A 74 GLY HA2 1.0 0.0 4.32 398 372 A 74 GLY HA3 A 73 LYS H 1.0 0.0 4.32 399 373 A 57 ALA H A 56 SER HBy 1.0 0.0 4.44 400 374 A 57 ALA H A 56 SER HBx 1.0 0.0 4.44 401 375 A 55 ARG H A 54 THR HG2% 1.0 0.0 4.53 402 376 A 71 LYS H A 71 LYS HD2 1.0 0.0 4.57 403 376 A 71 LYS H A 71 LYS HD3 1.0 0.0 4.57 404 377 A 67 GLN H A 69 LEU H 1.0 0.0 4.41 405 378 A 66 GLN H A 68 ALA H 1.0 0.0 4.17 406 379 A 66 GLN H A 65 LYS H 1.0 0.0 3.08 407 380 A 67 GLN H A 65 LYS H 1.0 0.0 4.40 408 381 A 64 TRP H A 63 LEU HB2 1.0 0.0 3.74 409 382 A 64 TRP H A 63 LEU HB3 1.0 0.0 3.48 410 383 A 74 GLY H A 73 LYS H 1.0 0.0 3.58 411 384 A 61 LEU H A 62 PRO HDy 1.0 0.0 4.93 412 385 A 58 PHE H A 56 SER HBx 1.0 0.0 5.50 413 386 A 58 PHE H A 56 SER HBy 1.0 0.0 5.50 414 387 A 58 PHE H A 56 SER HA 1.0 0.0 4.67 415 388 A 64 TRP H A 62 PRO HA 1.0 0.0 4.79 416 389 A 66 GLN H A 62 PRO HA 1.0 0.0 5.50 417 390 A 66 GLN H A 64 TRP HA 1.0 0.0 4.35 418 391 A 55 ARG H A 55 ARG HGy 1.0 0.0 5.29 419 392 A 55 ARG H A 55 ARG HGx 1.0 0.0 5.29 420 393 A 57 ALA HB% A 60 ASN H 1.0 0.0 4.72 421 394 A 70 MET HA A 72 GLU H 1.0 0.0 5.50 422 395 A 69 LEU HBy A 72 GLU H 1.0 0.0 5.50 423 396 A 57 ALA H A 56 SER H 1.0 0.0 5.33 424 397 A 53 MET H A 54 THR H 1.0 0.0 5.09 425 398 A 66 GLN H A 63 LEU H 1.0 0.0 5.50 426 399 A 63 LEU H A 65 LYS H 1.0 0.0 5.30 427 400 A 73 LYS H A 73 LYS HGx 1.0 0.0 3.91 428 400 A 73 LYS H A 73 LYS HGy 1.0 0.0 3.91 429 401 A 58 PHE H A 61 LEU HDy% 1.0 0.0 4.79 430 402 A 70 MET H A 75 LEU HDy% 1.0 0.0 5.33 431 403 A 70 MET H A 68 ALA HB% 1.0 0.0 5.50 432 404 A 68 ALA HB% A 71 LYS H 1.0 0.0 5.33 433 405 A 61 LEU HBy A 60 ASN H 1.0 0.0 4.94 434 406 A 68 ALA H A 69 LEU HDx% 1.0 0.0 5.50 435 407 A 68 ALA H A 69 LEU HDy% 1.0 0.0 5.48 436 408 A 65 LYS HGx A 64 TRP HE3 1.0 0.0 4.75 437 409 A 65 LYS HBy A 64 TRP HE3 1.0 0.0 5.23 438 410 A 64 TRP HZ2 A 65 LYS HD2 1.0 0.0 4.81 439 411 A 65 LYS HBx A 64 TRP HZ3 1.0 0.0 5.50 440 412 A 65 LYS HA A 68 ALA H 1.0 0.0 3.57 441 413 A 66 GLN H A 64 TRP H 1.0 0.0 4.28 442 414 A 66 GLN H A 69 LEU H 1.0 0.0 4.97 443 415 A 64 TRP H A 64 TRP HD1 1.0 0.0 2.87 444 416 A 67 GLN H A 67 GLN HE21 1.0 0.0 5.07 445 417 A 67 GLN H A 64 TRP HE3 1.0 0.0 5.50 446 418 A 58 PHE H A 60 ASN H 1.0 0.0 5.18 447 419 A 66 GLN H A 64 TRP HE3 1.0 0.0 5.50 448 420 A 61 LEU H A 66 GLN HE21 1.0 0.0 4.77 449 421 A 64 TRP H A 64 TRP HE1 1.0 0.0 5.19 450 422 A 76 PHE H A 76 PHE HD% 1.0 0.0 3.99 451 423 A 75 LEU HBy A 76 PHE HE% 1.0 0.0 4.64 452 424 A 67 GLN HBy A 76 PHE HE% 1.0 0.0 4.63 453 425 A 67 GLN HBy A 76 PHE HD% 1.0 0.0 4.32 454 426 A 66 GLN HE22 A 58 PHE HD% 1.0 0.0 4.60 455 427 A 67 GLN H A 58 PHE HE% 1.0 0.0 5.50 456 428 A 66 GLN H A 58 PHE HE% 1.0 0.0 5.50 457 429 A 70 MET HGy A 58 PHE HD% 1.0 0.0 4.61 458 430 A 76 PHE HD% A 76 PHE HA 1.0 0.0 3.79 459 431 A 66 GLN HBy A 58 PHE HE% 1.0 0.0 3.77 460 432 A 66 GLN HE21 A 65 LYS HD2 1.0 0.0 5.30 461 433 A 64 TRP HH2 A 65 LYS HD2 1.0 0.0 4.95 462 434 A 69 LEU HBy A 58 PHE HD% 1.0 0.0 4.14 463 435 A 70 MET HGx A 70 MET HE% 1.0 0.0 4.09 464 436 A 70 MET HGy A 70 MET HE% 1.0 0.0 3.31 465 437 A 69 LEU HDx% A 53 MET HG2 1.0 0.0 5.50 466 438 A 69 LEU HDx% A 53 MET HG3 1.0 0.0 5.50 467 439 A 63 LEU HA A 66 GLN HBx 1.0 0.0 3.69 468 440 A 67 GLN H A 76 PHE HD% 1.0 0.0 5.50 469 441 A 53 MET H A 54 THR HA 1.0 0.0 5.50 470 442 A 67 GLN H A 68 ALA HA 1.0 0.0 5.13 471 443 A 71 LYS H A 68 ALA H 1.0 0.0 4.89 472 444 A 66 GLN H A 67 GLN HE21 1.0 0.0 5.50 473 445 A 61 LEU H A 66 GLN HE22 1.0 0.0 4.21 474 446 A 65 LYS H A 64 TRP HD1 1.0 0.0 4.14 475 447 A 65 LYS H A 64 TRP HE3 1.0 0.0 4.49 476 448 A 65 LYS HBx A 64 TRP HE3 1.0 0.0 5.50 477 449 A 71 LYS H A 70 MET HGy 1.0 0.0 4.98 478 450 A 59 ALA H A 60 ASN HBy 1.0 0.0 5.18 479 451 A 68 ALA H A 67 GLN HGy 1.0 0.0 4.97 480 452 A 66 GLN HA A 68 ALA H 1.0 0.0 4.84 481 453 A 69 LEU HBy A 68 ALA H 1.0 0.0 4.76 482 454 A 61 LEU HG A 60 ASN H 1.0 0.0 4.83 483 455 A 61 LEU HG A 58 PHE H 1.0 0.0 5.16 484 456 A 56 SER H A 55 ARG HBy 1.0 0.0 5.12 485 457 A 56 SER H A 55 ARG HBx 1.0 0.0 5.12 486 458 A 53 MET H A 57 ALA HB% 1.0 0.0 5.50 487 459 A 53 MET H A 54 THR HG2% 1.0 0.0 5.27 488 460 A 61 LEU HDx% A 60 ASN H 1.0 0.0 5.17 489 461 A 61 LEU HDy% A 60 ASN H 1.0 0.0 5.14 490 462 A 61 LEU HBx A 66 GLN HE22 1.0 0.0 5.27 491 463 A 64 TRP HD1 A 63 LEU HB3 1.0 0.0 4.49 492 464 A 65 LYS HBy A 64 TRP HD1 1.0 0.0 5.45 493 465 A 65 LYS HBy A 64 TRP HZ2 1.0 0.0 5.50 494 466 A 76 PHE H A 76 PHE HE% 1.0 0.0 5.36 495 467 A 63 LEU H A 64 TRP HA 1.0 0.0 5.50 496 468 A 61 LEU HA A 60 ASN H 1.0 0.0 5.47 497 469 A 56 SER HA A 60 ASN H 1.0 0.0 5.42 498 470 A 57 ALA HA A 60 ASN HD22 1.0 0.0 4.29 499 471 A 64 TRP HA A 64 TRP HD1 1.0 0.0 4.75 500 472 A 66 GLN H A 66 GLN HE22 1.0 0.0 4.67 501 473 A 54 THR HB A 55 ARG H 1.0 0.0 4.37 502 474 A 59 ALA H A 58 PHE HBy 1.0 0.0 4.02 503 475 A 62 PRO HBx A 64 TRP HD1 1.0 0.0 3.77 504 476 A 67 GLN HBy A 64 TRP HA 1.0 0.0 5.10 505 477 A 67 GLN HA A 70 MET HGy 1.0 0.0 5.05 506 478 A 70 MET HA A 75 LEU HBy 1.0 0.0 4.80 507 479 A 54 THR HA A 54 THR HG2% 1.0 0.0 3.40 508 480 A 61 LEU HDx% A 61 LEU HA 1.0 0.0 3.87 509 481 A 58 PHE HA A 61 LEU HDy% 1.0 0.0 3.53 510 482 A 70 MET HA A 75 LEU HDx% 1.0 0.0 4.98 511 483 A 65 LYS HGx A 65 LYS HA 1.0 0.0 4.06 512 484 A 66 GLN HA A 65 LYS HBy 1.0 0.0 5.13 513 485 A 61 LEU HDx% A 62 PRO HDy 1.0 0.0 3.83 514 486 A 69 LEU HDx% A 65 LYS HEx 1.0 0.0 4.85 515 487 A 69 LEU HDx% A 65 LYS HEy 1.0 0.0 4.85 516 488 A 61 LEU HDx% A 65 LYS HEx 1.0 0.0 5.25 517 489 A 61 LEU HDx% A 65 LYS HEy 1.0 0.0 5.25 518 490 A 65 LYS HA A 65 LYS HD2 1.0 0.0 4.64 519 491 A 66 GLN HA A 65 LYS HBx 1.0 0.0 4.05 520 492 A 62 PRO HDy A 65 LYS HD2 1.0 0.0 4.55 521 493 A 71 LYS HA A 75 LEU HBy 1.0 0.0 5.50 522 494 A 71 LYS HA A 71 LYS HD2 1.0 0.0 4.43 523 494 A 71 LYS HA A 71 LYS HD3 1.0 0.0 4.43 524 495 A 67 GLN HA A 70 MET HBx 1.0 0.0 4.51 525 496 A 70 MET HA A 70 MET HE% 1.0 0.0 4.63 526 497 A 66 GLN HA A 66 GLN HGy 1.0 0.0 3.87 527 498 A 55 ARG HBx A 55 ARG HD2 1.0 0.0 4.08 528 498 A 55 ARG HD3 A 55 ARG HBx 1.0 0.0 4.08 529 499 A 55 ARG HBy A 55 ARG HD2 1.0 0.0 4.08 530 499 A 55 ARG HD3 A 55 ARG HBy 1.0 0.0 4.08 531 500 A 57 ALA HB% A 53 MET HE% 1.0 0.0 3.29 532 501 A 57 ALA HB% A 53 MET HB2 1.0 0.0 4.44 533 501 A 53 MET HB3 A 57 ALA HB% 1.0 0.0 4.44 534 502 A 53 MET HE% A 61 LEU HDy% 1.0 0.0 3.29 535 503 A 53 MET HE% A 69 LEU HDx% 1.0 0.0 3.38 536 504 A 63 LEU HDx% A 63 LEU HB3 1.0 0.0 3.71 537 505 A 63 LEU HB2 A 63 LEU HDx% 1.0 0.0 3.58 538 506 A 61 LEU HBy A 65 LYS HBx 1.0 0.0 3.56 539 507 A 61 LEU HBy A 61 LEU HDy% 1.0 0.0 3.18 540 508 A 57 ALA HB% A 61 LEU HDy% 1.0 0.0 3.92 541 509 A 61 LEU HDx% A 65 LYS HBx 1.0 0.0 3.75 542 510 A 69 LEU HDx% A 65 LYS HBx 1.0 0.0 4.18 543 511 A 75 LEU HBx A 75 LEU HDx% 1.0 0.0 3.67 544 512 A 75 LEU HBx A 75 LEU HDy% 1.0 0.0 3.67 545 513 A 69 LEU HBx A 69 LEU HDy% 1.0 0.0 3.23 546 514 A 73 LYS HA A 73 LYS HD2 1.0 0.0 3.92 547 514 A 73 LYS HA A 73 LYS HD3 1.0 0.0 3.92 548 515 A 73 LYS HA A 73 LYS HGx 1.0 0.0 3.87 549 515 A 73 LYS HA A 73 LYS HGy 1.0 0.0 3.87 550 516 A 59 ALA HB% A 56 SER HA 1.0 0.0 3.63 551 517 A 59 ALA HA A 66 GLN HE22 1.0 0.0 3.91 552 518 A 53 MET H A 53 MET HG3 1.0 0.0 4.49 553 518 A 53 MET H A 53 MET HG2 1.0 0.0 4.49 554 519 A 57 ALA HB% A 53 MET HG3 1.0 0.0 3.70 555 519 A 57 ALA HB% A 53 MET HG2 1.0 0.0 3.70 556 520 A 58 PHE H A 53 MET HG3 1.0 0.0 4.54 557 520 A 58 PHE H A 53 MET HG2 1.0 0.0 4.54 558 521 A 58 PHE HA A 53 MET HG3 1.0 0.0 5.07 559 521 A 58 PHE HA A 53 MET HG2 1.0 0.0 5.07 560 522 A 55 ARG H A 55 ARG HGy 1.0 0.0 4.50 561 522 A 55 ARG H A 55 ARG HGx 1.0 0.0 4.50 562 523 A 57 ALA H A 56 SER HBx 1.0 0.0 3.88 563 523 A 57 ALA H A 56 SER HBy 1.0 0.0 3.88 564 524 A 58 PHE H A 56 SER HBx 1.0 0.0 4.68 565 524 A 58 PHE H A 56 SER HBy 1.0 0.0 4.68 566 525 A 61 LEU HDx% A 65 LYS HEx 1.0 0.0 4.46 567 525 A 61 LEU HDx% A 65 LYS HEy 1.0 0.0 4.46 568 526 A 61 LEU HDy% A 65 LYS HEx 1.0 0.0 4.28 569 526 A 61 LEU HDy% A 65 LYS HEy 1.0 0.0 4.28 570 527 A 63 LEU H A 62 PRO HGy 1.0 0.0 5.00 571 527 A 63 LEU H A 62 PRO HGx 1.0 0.0 5.00 572 528 A 64 TRP HD1 A 62 PRO HGy 1.0 0.0 4.00 573 528 A 64 TRP HD1 A 62 PRO HGx 1.0 0.0 4.00 574 529 A 64 TRP HZ2 A 62 PRO HGy 1.0 0.0 3.80 575 529 A 64 TRP HZ2 A 62 PRO HGx 1.0 0.0 3.80 576 530 A 64 TRP HH2 A 62 PRO HGy 1.0 0.0 5.17 577 530 A 64 TRP HH2 A 62 PRO HGx 1.0 0.0 5.17 578 531 A 65 LYS H A 62 PRO HGy 1.0 0.0 3.92 579 531 A 65 LYS H A 62 PRO HGx 1.0 0.0 3.92 580 532 A 65 LYS HBy A 62 PRO HGy 1.0 0.0 3.83 581 532 A 65 LYS HBy A 62 PRO HGx 1.0 0.0 3.83 582 533 A 64 TRP HZ2 A 65 LYS HEx 1.0 0.0 4.30 583 533 A 64 TRP HZ2 A 65 LYS HEy 1.0 0.0 4.30 584 534 A 64 TRP HH2 A 65 LYS HEx 1.0 0.0 4.23 585 534 A 64 TRP HH2 A 65 LYS HEy 1.0 0.0 4.23 586 535 A 65 LYS HBx A 65 LYS HEx 1.0 0.0 4.15 587 535 A 65 LYS HBx A 65 LYS HEy 1.0 0.0 4.15 588 536 A 65 LYS HGy A 65 LYS HEx 1.0 0.0 3.62 589 536 A 65 LYS HGy A 65 LYS HEy 1.0 0.0 3.62 590 537 A 65 LYS HGx A 65 LYS HEx 1.0 0.0 3.64 591 537 A 65 LYS HGx A 65 LYS HEy 1.0 0.0 3.64 592 538 A 68 ALA HB% A 65 LYS HEx 1.0 0.0 4.93 593 538 A 68 ALA HB% A 65 LYS HEy 1.0 0.0 4.93 594 539 A 69 LEU HG A 65 LYS HEx 1.0 0.0 4.21 595 539 A 69 LEU HG A 65 LYS HEy 1.0 0.0 4.21 596 540 A 69 LEU HDx% A 65 LYS HEx 1.0 0.0 4.23 597 540 A 69 LEU HDx% A 65 LYS HEy 1.0 0.0 4.23 598 541 A 69 LEU HDy% A 65 LYS HEx 1.0 0.0 4.16 599 541 A 69 LEU HDy% A 65 LYS HEy 1.0 0.0 4.16 600 542 A 69 LEU HA A 72 GLU HGy 1.0 0.0 4.48 601 542 A 69 LEU HA A 72 GLU HGx 1.0 0.0 4.48 602 543 A 70 MET HA A 75 LEU HDy% 1.0 0.0 4.06 603 543 A 70 MET HA A 75 LEU HDx% 1.0 0.0 4.06 604 544 A 70 MET HGy A 75 LEU HDy% 1.0 0.0 4.41 605 544 A 70 MET HGy A 75 LEU HDx% 1.0 0.0 4.41 606 545 A 70 MET HGx A 75 LEU HDy% 1.0 0.0 4.93 607 545 A 70 MET HGx A 75 LEU HDx% 1.0 0.0 4.93 608 546 A 70 MET HE% A 75 LEU HDy% 1.0 0.0 3.87 609 546 A 70 MET HE% A 75 LEU HDx% 1.0 0.0 3.87 610 547 A 71 LYS H A 71 LYS HBy 1.0 0.0 3.06 611 547 A 71 LYS H A 71 LYS HBx 1.0 0.0 3.06 612 548 A 71 LYS H A 71 LYS HGx 1.0 0.0 3.99 613 548 A 71 LYS H A 71 LYS HGy 1.0 0.0 3.99 614 549 A 74 GLY H A 71 LYS HBy 1.0 0.0 5.11 615 549 A 74 GLY H A 71 LYS HBx 1.0 0.0 5.11 616 550 A 75 LEU H A 71 LYS HBy 1.0 0.0 5.34 617 550 A 75 LEU H A 71 LYS HBx 1.0 0.0 5.34 618 551 A 72 GLU HA A 72 GLU HGy 1.0 0.0 3.37 619 551 A 72 GLU HA A 72 GLU HGx 1.0 0.0 3.37 620 552 A 73 LYS H A 73 LYS HB3 1.0 0.0 3.30 621 552 A 73 LYS HB2 A 73 LYS H 1.0 0.0 3.30 622 553 A 74 GLY H A 73 LYS HB3 1.0 0.0 4.08 623 553 A 73 LYS HB2 A 74 GLY H 1.0 0.0 4.08 624 554 A 75 LEU H A 73 LYS HB3 1.0 0.0 4.91 625 554 A 75 LEU H A 73 LYS HB2 1.0 0.0 4.91 626 555 A 75 LEU HA A 75 LEU HDy% 1.0 0.0 3.00 627 555 A 75 LEU HA A 75 LEU HDx% 1.0 0.0 3.00 628 556 A 76 PHE H A 75 LEU HDy% 1.0 0.0 4.10 629 556 A 76 PHE H A 75 LEU HDx% 1.0 0.0 4.10 630 557 A 76 PHE HD% A 75 LEU HDy% 1.0 0.0 4.54 631 557 A 76 PHE HD% A 75 LEU HDx% 1.0 0.0 4.54 632 558 A 76 PHE H A 76 PHE HBy 1.0 0.0 3.54 633 558 A 76 PHE H A 76 PHE HBx 1.0 0.0 3.54 stop_ save_