data_nef_c25064_2mr7 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 BMRB 25065 PDB 2MQM stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 ALA middle . . 3 A 3 MET middle . . 4 A 4 ALA middle . . 5 A 5 LYS middle . . 6 A 6 ALA middle . . 7 A 7 PRO middle . false 8 A 8 GLU middle . . 9 A 9 SER middle . . 10 A 10 ALA middle . . 11 A 11 THR middle . . 12 A 12 GLU middle . . 13 A 13 LYS middle . . 14 A 14 VAL middle . . 15 A 15 LEU middle . . 16 A 16 CYS middle . . 17 A 17 ALA middle . . 18 A 18 LEU middle . . 19 A 19 TYR middle . . 20 A 20 ALA middle . . 21 A 21 GLU middle . . 22 A 22 ILE middle . . 23 A 23 LEU middle . . 24 A 24 GLY middle . false 25 A 25 VAL middle . . 26 A 26 GLU middle . . 27 A 27 ARG middle . . 28 A 28 VAL middle . . 29 A 29 GLY middle . false 30 A 30 VAL middle . . 31 A 31 ASP middle . . 32 A 32 ASP middle . . 33 A 33 ALA middle . . 34 A 34 PHE middle . . 35 A 35 HIS middle . . 36 A 36 ASP middle . . 37 A 37 LEU middle . . 38 A 38 GLY middle . false 39 A 39 GLY middle . false 40 A 40 SER middle . . 41 A 41 SER middle . . 42 A 42 ALA middle . . 43 A 43 LEU middle . . 44 A 44 ALA middle . . 45 A 45 MET middle . . 46 A 46 ARG middle . . 47 A 47 LEU middle . . 48 A 48 ILE middle . . 49 A 49 ALA middle . . 50 A 50 ARG middle . . 51 A 51 ILE middle . . 52 A 52 ARG middle . . 53 A 53 GLU middle . . 54 A 54 GLU middle . . 55 A 55 LEU middle . . 56 A 56 GLY middle . false 57 A 57 VAL middle . . 58 A 58 ASP middle . . 59 A 59 LEU middle . . 60 A 60 PRO middle . false 61 A 61 ILE middle . . 62 A 62 ARG middle . . 63 A 63 GLN middle . . 64 A 64 LEU middle . . 65 A 65 PHE middle . . 66 A 66 SER middle . . 67 A 67 SER middle . . 68 A 68 PRO middle . false 69 A 69 THR middle . . 70 A 70 PRO middle . false 71 A 71 ALA middle . . 72 A 72 GLY middle . false 73 A 73 VAL middle . . 74 A 74 ALA middle . . 75 A 75 ARG middle . . 76 A 76 ALA middle . . 77 A 77 LEU middle . . 78 A 78 ALA middle . . 79 A 79 ALA middle . . 80 A 80 LYS middle . . 81 A 81 SER middle . . 82 A 82 ALA middle . . 83 A 83 SER middle . . 84 A 84 TRP middle . . 85 A 85 SER middle . . 86 A 86 HIS middle . . 87 A 87 PRO middle . false 88 A 88 GLN middle . . 89 A 89 PHE middle . . 90 A 90 GLU middle . . 91 A 91 LYS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 3 MET HB2 H 1 2.039 0.01 A 3 MET HB3 H 1 2.039 0.01 A 3 MET HE% H 1 2.075 0.01 A 3 MET HG2 H 1 2.590 0.0 A 3 MET HG3 H 1 2.590 0.0 A 4 ALA HA H 1 4.260 0.01 A 4 ALA HB% H 1 1.329 0.01 A 5 LYS HE2 H 1 2.943 0.01 A 5 LYS HE3 H 1 2.943 0.01 A 5 LYS HG2 H 1 1.418 0.01 A 6 ALA HA H 1 4.574 0.006 A 6 ALA HB% H 1 1.354 0.001 A 7 PRO HA H 1 4.332 0.001 A 7 PRO HBy H 1 2.207 0.0 A 7 PRO HBx H 1 1.825 0.001 A 8 GLU HA H 1 4.364 0.021 A 8 GLU HBy H 1 2.018 0.008 A 8 GLU HBx H 1 1.914 0.01 A 9 SER HA H 1 4.518 0.001 A 9 SER HBx H 1 3.920 0.001 A 9 SER HBy H 1 4.250 0.0 A 10 ALA HA H 1 4.109 0.0 A 10 ALA HB% H 1 1.484 0.0 A 11 THR HA H 1 3.817 0.003 A 11 THR HB H 1 4.005 0.0 A 11 THR HG2% H 1 1.219 0.0 A 12 GLU HA H 1 3.558 0.01 A 12 GLU HG3 H 1 2.193 0.01 A 13 LYS HA H 1 3.886 0.01 A 13 LYS HB2 H 1 1.925 0.01 A 13 LYS HB3 H 1 1.925 0.01 A 14 VAL HA H 1 3.778 0.001 A 14 VAL HB H 1 2.185 0.002 A 14 VAL HGx% H 1 0.915 0.001 A 14 VAL HGy% H 1 1.109 0.0 A 15 LEU HA H 1 3.971 0.01 A 15 LEU HBx H 1 1.071 0.01 A 15 LEU HBy H 1 2.017 0.01 A 15 LEU HD1% H 1 0.828 0.01 A 15 LEU HG H 1 1.830 0.01 A 17 ALA HA H 1 4.204 0.01 A 17 ALA HB% H 1 1.594 0.01 A 18 LEU HA H 1 4.174 0.01 A 18 LEU HBy H 1 2.077 0.001 A 18 LEU HBx H 1 1.232 0.018 A 18 LEU HDx% H 1 0.700 0.01 A 18 LEU HD2% H 1 0.830 0.01 A 19 TYR HA H 1 3.976 0.01 A 19 TYR HBy H 1 3.525 0.01 A 19 TYR HBx H 1 2.752 0.01 A 19 TYR HDx H 1 7.119 0.001 A 19 TYR HDy H 1 7.119 0.001 A 19 TYR HEx H 1 6.693 0.001 A 19 TYR HEy H 1 6.693 0.001 A 20 ALA HA H 1 3.878 0.001 A 20 ALA HB% H 1 1.505 0.0 A 21 GLU HA H 1 3.984 0.01 A 21 GLU HGy H 1 2.410 0.001 A 21 GLU HGx H 1 1.957 0.0 A 22 ILE HA H 1 3.902 0.002 A 22 ILE HB H 1 2.077 0.002 A 22 ILE HD1% H 1 0.792 0.013 A 22 ILE HG1x H 1 1.347 0.001 A 22 ILE HG1y H 1 1.685 0.01 A 22 ILE HG2% H 1 1.022 0.005 A 23 LEU HA H 1 4.129 0.001 A 23 LEU HBx H 1 1.394 0.001 A 23 LEU HBy H 1 1.818 0.009 A 23 LEU HDx% H 1 0.271 0.001 A 23 LEU HD2% H 1 0.675 0.01 A 23 LEU HG H 1 1.594 0.006 A 24 GLY HA2 H 1 3.898 0.01 A 24 GLY HA3 H 1 3.898 0.01 A 25 VAL HA H 1 4.598 0.0 A 25 VAL HB H 1 2.147 0.002 A 25 VAL HGx% H 1 0.877 0.001 A 25 VAL HGy% H 1 0.719 0.001 A 26 GLU HA H 1 4.016 0.01 A 26 GLU HG2 H 1 2.293 0.01 A 27 ARG HA H 1 4.471 0.0 A 27 ARG HBy H 1 1.731 0.01 A 27 ARG HBx H 1 1.664 0.01 A 27 ARG HD2 H 1 3.128 0.002 A 27 ARG HD3 H 1 3.128 0.002 A 27 ARG HGy H 1 1.485 0.011 A 27 ARG HGx H 1 1.434 0.016 A 28 VAL HA H 1 4.090 0.004 A 28 VAL HB H 1 2.028 0.006 A 28 VAL HGx% H 1 1.054 0.001 A 28 VAL HGy% H 1 0.837 0.003 A 30 VAL HA H 1 3.570 0.01 A 30 VAL HB H 1 2.002 0.01 A 30 VAL HG1% H 1 0.827 0.01 A 30 VAL HG2% H 1 0.827 0.01 A 31 ASP HA H 1 5.046 0.002 A 31 ASP HBy H 1 2.952 0.006 A 31 ASP HBx H 1 2.471 0.02 A 32 ASP HA H 1 4.615 0.006 A 32 ASP HBx H 1 2.428 0.012 A 32 ASP HBy H 1 2.947 0.002 A 33 ALA HA H 1 4.101 0.01 A 33 ALA HB% H 1 1.351 0.01 A 34 PHE HA H 1 3.973 0.01 A 34 PHE HBx H 1 2.847 0.01 A 34 PHE HBy H 1 3.278 0.01 A 34 PHE HDx H 1 6.539 0.001 A 34 PHE HDy H 1 6.539 0.001 A 34 PHE HEx H 1 6.933 0.001 A 34 PHE HEy H 1 6.933 0.001 A 34 PHE HZ H 1 6.899 0.01 A 35 HIS HA H 1 4.297 0.0 A 35 HIS HBx H 1 3.139 0.01 A 35 HIS HBy H 1 3.139 0.0 A 35 HIS HD2 H 1 7.015 0.001 A 35 HIS HE1 H 1 7.486 0.01 A 36 ASP HA H 1 4.515 0.0 A 36 ASP HB2 H 1 2.706 0.004 A 36 ASP HB3 H 1 2.706 0.004 A 37 LEU H H 1 7.119 0.01 A 37 LEU HA H 1 4.353 0.002 A 37 LEU HBy H 1 1.767 0.007 A 37 LEU HBx H 1 1.577 0.002 A 37 LEU HDx% H 1 0.917 0.01 A 37 LEU HDy% H 1 0.931 0.003 A 37 LEU HG H 1 1.701 0.01 A 40 SER HBy H 1 4.333 0.01 A 40 SER HBx H 1 4.005 0.01 A 42 ALA HA H 1 4.210 0.0 A 42 ALA HB% H 1 1.437 0.0 A 43 LEU HA H 1 4.139 0.01 A 43 LEU HB3 H 1 1.823 0.01 A 43 LEU HDx% H 1 0.964 0.0 A 43 LEU HDy% H 1 0.930 0.01 A 43 LEU HG H 1 1.754 0.01 A 44 ALA HA H 1 3.604 0.005 A 44 ALA HB% H 1 1.447 0.001 A 45 MET HA H 1 4.171 0.002 A 45 MET HBx H 1 2.124 0.004 A 45 MET HBy H 1 2.226 0.004 A 45 MET HE% H 1 2.124 0.004 A 45 MET HGy H 1 2.790 0.004 A 45 MET HGx H 1 2.706 0.006 A 46 ARG HA H 1 4.177 0.003 A 46 ARG HB2 H 1 2.040 0.0 A 46 ARG HB3 H 1 2.040 0.0 A 46 ARG HD2 H 1 3.281 0.006 A 46 ARG HG2 H 1 1.730 0.01 A 47 LEU HA H 1 3.886 0.01 A 47 LEU HBy H 1 1.925 0.01 A 47 LEU HBx H 1 1.225 0.01 A 47 LEU HDx% H 1 0.185 0.001 A 47 LEU HDy% H 1 0.755 0.001 A 47 LEU HG H 1 1.310 0.005 A 48 ILE HA H 1 3.557 0.002 A 48 ILE HD1% H 1 0.722 0.002 A 48 ILE HG1x H 1 1.292 0.001 A 48 ILE HG1y H 1 1.503 0.001 A 48 ILE HG2% H 1 1.009 0.001 A 49 ALA HA H 1 4.202 0.003 A 49 ALA HB% H 1 1.530 0.029 A 51 ILE HA H 1 3.373 0.002 A 51 ILE HB H 1 2.011 0.001 A 51 ILE HD1% H 1 0.662 0.0 A 51 ILE HG1x H 1 0.662 0.0 A 51 ILE HG1y H 1 1.939 0.001 A 51 ILE HG2% H 1 0.841 0.009 A 52 ARG HA H 1 4.070 0.01 A 52 ARG HBx H 1 1.924 0.01 A 52 ARG HBy H 1 2.019 0.01 A 52 ARG HD2 H 1 3.057 0.0 A 52 ARG HGy H 1 1.517 0.004 A 52 ARG HGx H 1 1.460 0.01 A 53 GLU HA H 1 3.969 0.01 A 53 GLU HBy H 1 2.271 0.01 A 53 GLU HBx H 1 2.066 0.01 A 53 GLU HGx H 1 2.271 0.0 A 53 GLU HGy H 1 2.526 0.007 A 54 GLU HA H 1 4.362 0.002 A 54 GLU HBy H 1 2.159 0.003 A 54 GLU HBx H 1 1.783 0.002 A 54 GLU HGy H 1 2.551 0.001 A 54 GLU HGx H 1 2.328 0.001 A 55 LEU HA H 1 4.682 0.002 A 55 LEU HBx H 1 1.609 0.002 A 55 LEU HBy H 1 1.943 0.001 A 55 LEU HDx% H 1 0.946 0.008 A 55 LEU HDy% H 1 0.833 0.002 A 55 LEU HG H 1 1.508 0.006 A 57 VAL HA H 1 4.417 0.0 A 57 VAL HB H 1 1.685 0.001 A 57 VAL HGx% H 1 0.762 0.015 A 57 VAL HGy% H 1 0.741 0.002 A 58 ASP HA H 1 4.686 0.004 A 58 ASP HBx H 1 2.401 0.011 A 58 ASP HBy H 1 2.556 0.006 A 59 LEU HA H 1 4.501 0.001 A 59 LEU HBx H 1 1.069 0.001 A 59 LEU HBy H 1 1.743 0.002 A 59 LEU HDx% H 1 0.721 0.01 A 59 LEU HDy% H 1 0.642 0.019 A 59 LEU HG H 1 1.396 0.002 A 60 PRO HA H 1 4.412 0.001 A 60 PRO HBy H 1 2.402 0.001 A 60 PRO HBx H 1 1.762 0.001 A 60 PRO HD2 H 1 3.283 0.01 A 61 ILE HB H 1 1.713 0.003 A 61 ILE HD1% H 1 0.879 0.003 A 61 ILE HG1x H 1 0.996 0.007 A 61 ILE HG1y H 1 1.213 0.004 A 61 ILE HG2% H 1 0.879 0.003 A 62 ARG HA H 1 4.059 0.01 A 62 ARG HB3 H 1 1.741 0.01 A 63 GLN HA H 1 4.023 0.004 A 63 GLN HB3 H 1 2.073 0.01 A 63 GLN HG2 H 1 2.185 0.01 A 63 GLN HG3 H 1 2.185 0.01 A 64 LEU H H 1 7.215 0.01 A 64 LEU HA H 1 3.862 0.001 A 64 LEU HBy H 1 1.606 0.001 A 64 LEU HBx H 1 1.063 0.009 A 64 LEU HDx% H 1 0.434 0.0 A 64 LEU HD2% H 1 0.191 0.01 A 64 LEU HG H 1 1.061 0.009 A 65 PHE HA H 1 4.368 0.002 A 65 PHE HBx H 1 2.958 0.003 A 65 PHE HBy H 1 3.211 0.01 A 65 PHE HDx H 1 7.090 0.003 A 65 PHE HDy H 1 7.090 0.003 A 65 PHE HEx H 1 7.169 0.005 A 65 PHE HEy H 1 7.169 0.005 A 65 PHE HZ H 1 7.214 0.001 A 66 SER HA H 1 4.372 0.0 A 66 SER HBy H 1 3.970 0.01 A 66 SER HBx H 1 3.937 0.01 A 68 PRO HA H 1 5.007 0.0 A 68 PRO HBx H 1 2.362 0.021 A 68 PRO HBy H 1 2.544 0.006 A 69 THR HA H 1 5.524 0.01 A 69 THR HB H 1 4.692 0.004 A 69 THR HG2% H 1 1.030 0.0 A 70 PRO HA H 1 3.814 0.01 A 70 PRO HBx H 1 1.596 0.012 A 70 PRO HBy H 1 1.870 0.01 A 71 ALA HA H 1 4.129 0.01 A 71 ALA HB% H 1 1.309 0.01 A 73 VAL HA H 1 3.567 0.001 A 73 VAL HB H 1 2.072 0.001 A 73 VAL HGx% H 1 0.817 0.001 A 73 VAL HGy% H 1 1.142 0.001 A 74 ALA HA H 1 3.777 0.002 A 74 ALA HB% H 1 1.430 0.001 A 75 ARG HA H 1 4.047 0.001 A 75 ARG HB2 H 1 1.867 0.002 A 75 ARG HDy H 1 3.290 0.001 A 75 ARG HDx H 1 3.154 0.01 A 75 ARG HG2 H 1 1.589 0.01 A 77 LEU HA H 1 3.980 0.001 A 77 LEU HBy H 1 1.844 0.01 A 77 LEU HBx H 1 1.503 0.01 A 77 LEU HD1% H 1 0.734 0.003 A 77 LEU HG H 1 1.958 0.01 A 78 ALA HA H 1 4.169 0.0 A 78 ALA HB% H 1 1.479 0.001 A 83 SER HA H 1 4.319 0.01 A 83 SER HB2 H 1 3.812 0.01 A 83 SER HB3 H 1 3.812 0.01 A 84 TRP HA H 1 4.678 0.01 A 84 TRP HB2 H 1 3.257 0.003 A 84 TRP HB3 H 1 3.257 0.003 A 84 TRP HE3 H 1 7.511 0.001 A 84 TRP HH2 H 1 7.108 0.002 A 84 TRP HZ2 H 1 7.405 0.002 A 84 TRP HZ3 H 1 6.999 0.002 A 86 HIS HD2 H 1 6.997 0.01 A 87 PRO HA H 1 4.329 0.01 A 87 PRO HBy H 1 2.210 0.01 A 87 PRO HBx H 1 1.763 0.001 A 87 PRO HG2 H 1 1.940 0.0 A 87 PRO HG3 H 1 1.940 0.0 A 89 PHE HA H 1 4.716 0.01 A 89 PHE HBy H 1 3.165 0.01 A 89 PHE HBx H 1 2.960 0.004 A 89 PHE HDx H 1 7.226 0.003 A 89 PHE HDy H 1 7.226 0.003 A 89 PHE HEx H 1 7.285 0.002 A 89 PHE HEy H 1 7.285 0.002 A 89 PHE HZ H 1 7.281 0.01 A 91 LYS HA H 1 4.105 0.003 A 91 LYS HB2 H 1 1.800 0.01 A 91 LYS HD3 H 1 1.665 0.01 A 91 LYS HE3 H 1 2.967 0.01 A 91 LYS HG2 H 1 1.348 0.0 stop_ save_ save_assigned_chem_shift_list_1_2 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1_2 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 5 LYS HA H 1 4.242 0.004 A 5 LYS HB2 H 1 1.693 0.004 A 5 LYS HB3 H 1 1.693 0.004 A 5 LYS HD2 H 1 1.623 0.004 A 5 LYS HD3 H 1 1.623 0.004 A 5 LYS HE2 H 1 2.948 0.005 A 5 LYS HGy H 1 1.410 0.003 A 5 LYS HGx H 1 1.401 0.007 A 5 LYS CA C 13 55.976 0.043 A 5 LYS CB C 13 33.178 0.085 A 5 LYS CD C 13 28.974 0.017 A 5 LYS CG C 13 24.472 0.013 A 7 PRO HA H 1 4.334 0.01 A 7 PRO HB3 H 1 1.824 0.01 A 7 PRO CB C 13 32.053 0.10 A 8 GLU H H 1 8.713 0.01 A 8 GLU HA H 1 4.368 0.01 A 9 SER HA H 1 4.502 0.01 A 9 SER HBx H 1 3.925 0.006 A 9 SER HBy H 1 4.243 0.004 A 9 SER CB C 13 64.943 0.026 A 11 THR H H 1 8.174 0.01 A 11 THR HA H 1 3.803 0.007 A 11 THR HB H 1 4.004 0.0 A 11 THR HG2% H 1 1.207 0.003 A 11 THR CA C 13 66.738 0.10 A 11 THR CB C 13 68.152 0.10 A 11 THR CG2 C 13 22.331 0.021 A 12 GLU HA H 1 3.563 0.01 A 12 GLU HBx H 1 1.719 0.003 A 12 GLU HBy H 1 2.275 0.009 A 12 GLU HGx H 1 1.827 0.0 A 12 GLU HGy H 1 2.202 0.001 A 12 GLU CB C 13 29.873 0.01 A 12 GLU CG C 13 38.081 0.001 A 13 LYS H H 1 8.151 0.007 A 13 LYS HA H 1 3.884 0.003 A 13 LYS HBy H 1 1.913 0.011 A 13 LYS HBx H 1 1.903 0.007 A 13 LYS HDx H 1 1.599 0.012 A 13 LYS HDy H 1 1.614 0.003 A 13 LYS HE2 H 1 2.907 0.001 A 13 LYS HE3 H 1 2.907 0.001 A 13 LYS HGx H 1 1.375 0.008 A 13 LYS HGy H 1 1.560 0.001 A 13 LYS CA C 13 60.230 0.019 A 13 LYS CB C 13 32.324 0.059 A 13 LYS CD C 13 29.443 0.033 A 13 LYS CE C 13 41.967 0.065 A 13 LYS CG C 13 25.572 0.021 A 14 VAL H H 1 7.751 0.002 A 14 VAL HA H 1 3.776 0.008 A 14 VAL HB H 1 2.181 0.003 A 14 VAL HGx% H 1 0.902 0.004 A 14 VAL HGy% H 1 1.104 0.001 A 14 VAL CA C 13 66.085 0.074 A 14 VAL CB C 13 31.857 0.027 A 14 VAL CG2 C 13 22.340 0.019 A 15 LEU H H 1 8.320 0.01 A 15 LEU HA H 1 3.970 0.005 A 15 LEU HBx H 1 1.074 0.001 A 15 LEU HBy H 1 2.000 0.003 A 15 LEU HD1% H 1 0.814 0.002 A 15 LEU HG H 1 1.817 0.01 A 15 LEU CA C 13 58.524 0.10 A 15 LEU CB C 13 42.096 0.032 A 15 LEU CD1 C 13 23.377 0.006 A 16 CYS H H 1 8.520 0.01 A 16 CYS HA H 1 3.640 0.01 A 16 CYS HB3 H 1 2.972 0.004 A 16 CYS CB C 13 26.636 0.036 A 17 ALA H H 1 7.621 0.01 A 17 ALA HA H 1 4.200 0.01 A 17 ALA HB% H 1 1.589 0.01 A 17 ALA CA C 13 55.224 0.10 A 18 LEU H H 1 8.662 0.001 A 18 LEU HA H 1 4.222 0.005 A 18 LEU HBy H 1 2.061 0.006 A 18 LEU HBx H 1 1.244 0.003 A 18 LEU HDx% H 1 0.698 0.003 A 18 LEU HDy% H 1 0.821 0.003 A 18 LEU CB C 13 42.269 0.033 A 18 LEU CDy C 13 26.019 0.043 A 18 LEU CDx C 13 23.125 0.089 A 19 TYR HA H 1 3.996 0.009 A 19 TYR HBx H 1 2.728 0.009 A 19 TYR HBy H 1 3.512 0.004 A 19 TYR HDx H 1 7.097 0.01 A 19 TYR HDy H 1 7.097 0.01 A 19 TYR CA C 13 61.900 0.10 A 19 TYR CB C 13 39.408 0.031 A 20 ALA H H 1 7.801 0.01 A 20 ALA HA H 1 3.867 0.001 A 20 ALA HB% H 1 1.497 0.01 A 20 ALA CA C 13 55.880 0.031 A 21 GLU H H 1 8.057 0.005 A 21 GLU HA H 1 3.983 0.002 A 21 GLU HBx H 1 2.251 0.01 A 21 GLU HBy H 1 2.288 0.01 A 21 GLU HGy H 1 2.415 0.0 A 21 GLU HGx H 1 1.959 0.005 A 21 GLU CA C 13 58.678 0.10 A 21 GLU CB C 13 30.357 0.035 A 21 GLU CG C 13 35.557 0.025 A 22 ILE H H 1 8.287 0.002 A 22 ILE HA H 1 3.901 0.01 A 22 ILE HB H 1 2.066 0.003 A 22 ILE HD1% H 1 0.810 0.01 A 22 ILE HG12 H 1 1.361 0.01 A 22 ILE CB C 13 37.134 0.037 A 22 ILE CG1 C 13 29.008 0.10 A 23 LEU H H 1 8.487 0.003 A 23 LEU HA H 1 4.119 0.007 A 23 LEU HBx H 1 1.383 0.004 A 23 LEU HBy H 1 1.810 0.008 A 23 LEU HDx% H 1 0.269 0.006 A 23 LEU HDy% H 1 0.668 0.008 A 23 LEU HG H 1 1.584 0.004 A 23 LEU CA C 13 55.255 0.10 A 23 LEU CB C 13 42.149 0.07 A 23 LEU CDx C 13 21.989 0.036 A 23 LEU CDy C 13 26.203 0.031 A 23 LEU CG C 13 27.114 0.031 A 24 GLY H H 1 7.853 0.01 A 24 GLY HA3 H 1 3.920 0.01 A 24 GLY CA C 13 46.727 0.10 A 25 VAL H H 1 7.367 0.01 A 25 VAL HA H 1 4.597 0.003 A 25 VAL HB H 1 2.149 0.001 A 25 VAL HGx% H 1 0.871 0.004 A 25 VAL HGy% H 1 0.707 0.01 A 25 VAL CB C 13 34.194 0.007 A 25 VAL CG1 C 13 21.456 0.025 A 26 GLU H H 1 8.426 0.01 A 26 GLU HA H 1 4.011 0.004 A 26 GLU HBx H 1 1.981 0.001 A 26 GLU HBy H 1 1.982 0.002 A 26 GLU HG2 H 1 2.296 0.01 A 26 GLU CA C 13 58.797 0.10 A 26 GLU CB C 13 30.466 0.028 A 26 GLU CG C 13 36.255 0.10 A 27 ARG H H 1 7.733 0.01 A 27 ARG HBy H 1 1.712 0.027 A 27 ARG HBx H 1 1.661 0.004 A 27 ARG HDy H 1 3.142 0.01 A 27 ARG HDx H 1 3.123 0.005 A 27 ARG HGy H 1 1.472 0.01 A 27 ARG HGx H 1 1.444 0.016 A 27 ARG CB C 13 32.212 0.061 A 27 ARG CD C 13 43.015 0.10 A 27 ARG CG C 13 26.464 0.032 A 28 VAL H H 1 8.345 0.01 A 28 VAL HA H 1 4.087 0.01 A 28 VAL HB H 1 2.022 0.003 A 28 VAL HGx% H 1 1.040 0.002 A 28 VAL HGy% H 1 0.826 0.003 A 28 VAL CA C 13 61.640 0.10 A 28 VAL CB C 13 34.777 0.028 A 28 VAL CGx C 13 21.821 0.035 A 28 VAL CGy C 13 21.847 0.10 A 29 GLY H H 1 9.183 0.01 A 30 VAL H H 1 8.144 0.001 A 30 VAL HA H 1 3.577 0.002 A 30 VAL HB H 1 2.019 0.007 A 30 VAL HGx% H 1 0.829 0.0 A 30 VAL HGy% H 1 0.821 0.01 A 30 VAL CB C 13 31.591 0.098 A 30 VAL CG1 C 13 21.933 0.018 A 31 ASP H H 1 8.145 0.002 A 31 ASP HA H 1 5.049 0.01 A 31 ASP HBy H 1 2.951 0.005 A 31 ASP HBx H 1 2.474 0.007 A 31 ASP CB C 13 41.192 0.054 A 32 ASP H H 1 7.281 0.01 A 32 ASP HBx H 1 2.423 0.01 A 32 ASP HBy H 1 2.950 0.01 A 32 ASP CB C 13 41.578 0.10 A 33 ALA HA H 1 4.097 0.01 A 33 ALA HB% H 1 1.328 0.01 A 33 ALA CA C 13 51.310 0.10 A 34 PHE H H 1 8.388 0.01 A 34 PHE HA H 1 3.983 0.01 A 34 PHE HBy H 1 3.254 0.0 A 34 PHE HBx H 1 2.849 0.001 A 34 PHE CB C 13 40.037 0.042 A 35 HIS HA H 1 4.299 0.006 A 35 HIS HB2 H 1 3.142 0.003 A 35 HIS HB3 H 1 3.142 0.003 A 35 HIS CA C 13 58.645 0.10 A 35 HIS CB C 13 29.617 0.10 A 37 LEU H H 1 7.107 0.01 A 37 LEU HA H 1 4.349 0.01 A 37 LEU HBy H 1 1.766 0.001 A 37 LEU HBx H 1 1.566 0.005 A 37 LEU HD1% H 1 0.923 0.01 A 37 LEU HD2% H 1 0.923 0.01 A 37 LEU HG H 1 1.703 0.01 A 37 LEU CA C 13 54.326 0.10 A 37 LEU CB C 13 43.336 0.092 A 37 LEU CD2 C 13 26.700 0.10 A 39 GLY HAx H 1 2.255 0.01 A 39 GLY HAy H 1 3.093 0.01 A 39 GLY CA C 13 46.444 0.10 A 40 SER H H 1 6.909 0.01 A 41 SER HA H 1 4.797 0.01 A 41 SER HBy H 1 4.319 0.01 A 41 SER HBx H 1 4.015 0.001 A 41 SER CB C 13 62.279 0.002 A 43 LEU H H 1 7.797 0.002 A 43 LEU HA H 1 4.144 0.002 A 43 LEU HBx H 1 1.490 0.004 A 43 LEU HBy H 1 1.823 0.014 A 43 LEU HDx% H 1 0.957 0.004 A 43 LEU HDy% H 1 0.920 0.011 A 43 LEU HG H 1 1.753 0.01 A 43 LEU CA C 13 57.248 0.001 A 43 LEU CB C 13 41.600 0.059 A 43 LEU CD1 C 13 25.651 0.054 A 43 LEU CG C 13 27.205 0.011 A 44 ALA HB% H 1 1.430 0.01 A 45 MET H H 1 7.740 0.002 A 45 MET HA H 1 4.178 0.004 A 45 MET HBx H 1 2.120 0.008 A 45 MET HBy H 1 2.224 0.01 A 45 MET HE% H 1 2.110 0.001 A 45 MET HGy H 1 2.783 0.017 A 45 MET HGx H 1 2.697 0.012 A 45 MET CB C 13 31.315 0.045 A 45 MET CG C 13 31.927 0.012 A 46 ARG H H 1 7.289 0.008 A 46 ARG HA H 1 4.170 0.005 A 46 ARG HBx H 1 2.030 0.009 A 46 ARG HBy H 1 2.032 0.008 A 46 ARG HDy H 1 3.278 0.004 A 46 ARG HDx H 1 3.187 0.014 A 46 ARG HGx H 1 1.728 0.003 A 46 ARG HGy H 1 1.854 0.002 A 46 ARG CA C 13 58.700 0.10 A 46 ARG CB C 13 29.842 0.04 A 46 ARG CD C 13 43.482 0.068 A 46 ARG CG C 13 27.132 0.06 A 47 LEU H H 1 8.237 0.003 A 47 LEU HA H 1 3.892 0.003 A 47 LEU HBy H 1 1.904 0.005 A 47 LEU HBx H 1 1.232 0.015 A 47 LEU HDx% H 1 0.174 0.003 A 47 LEU HDy% H 1 0.746 0.007 A 47 LEU HG H 1 1.299 0.01 A 47 LEU CA C 13 58.206 0.045 A 47 LEU CB C 13 41.201 0.058 A 47 LEU CDy C 13 26.533 0.038 A 47 LEU CDx C 13 23.433 0.007 A 47 LEU CG C 13 26.769 0.10 A 48 ILE H H 1 8.476 0.01 A 48 ILE HA H 1 3.552 0.004 A 48 ILE HB H 1 1.986 0.005 A 48 ILE HD1% H 1 0.713 0.01 A 48 ILE HG1x H 1 1.289 0.011 A 48 ILE HG1y H 1 1.498 0.006 A 48 ILE HG2% H 1 1.017 0.004 A 48 ILE CA C 13 65.123 0.068 A 48 ILE CB C 13 37.697 0.072 A 48 ILE CG1 C 13 29.708 0.055 A 49 ALA HA H 1 4.200 0.01 A 49 ALA HB% H 1 1.566 0.01 A 49 ALA CA C 13 55.319 0.10 A 50 ARG HA H 1 4.261 0.002 A 50 ARG HBy H 1 2.029 0.01 A 50 ARG HBx H 1 1.899 0.01 A 50 ARG HDy H 1 3.454 0.001 A 50 ARG HDx H 1 3.126 0.012 A 50 ARG CB C 13 28.438 0.10 A 50 ARG CD C 13 39.755 0.048 A 51 ILE H H 1 8.841 0.003 A 51 ILE HA H 1 3.368 0.003 A 51 ILE HB H 1 2.005 0.003 A 51 ILE HD1% H 1 0.651 0.01 A 51 ILE HG1x H 1 0.657 0.012 A 51 ILE HG1y H 1 1.928 0.006 A 51 ILE HG2% H 1 0.839 0.005 A 51 ILE CA C 13 66.396 0.039 A 51 ILE CB C 13 37.819 0.05 A 51 ILE CG1 C 13 30.406 0.047 A 52 ARG H H 1 7.837 0.007 A 52 ARG HA H 1 4.058 0.008 A 52 ARG HBx H 1 1.930 0.014 A 52 ARG HBy H 1 2.010 0.004 A 52 ARG HD2 H 1 3.063 0.002 A 52 ARG HGy H 1 1.520 0.01 A 52 ARG HGx H 1 1.481 0.01 A 52 ARG CA C 13 59.511 0.015 A 52 ARG CB C 13 29.554 0.077 A 52 ARG CD C 13 42.952 0.065 A 52 ARG CG C 13 27.173 0.054 A 53 GLU H H 1 7.860 0.007 A 53 GLU HA H 1 3.969 0.004 A 53 GLU HBy H 1 2.263 0.002 A 53 GLU HBx H 1 2.072 0.004 A 53 GLU HGx H 1 2.270 0.007 A 53 GLU HGy H 1 2.509 0.006 A 53 GLU CA C 13 59.098 0.09 A 53 GLU CB C 13 30.212 0.065 A 53 GLU CG C 13 36.028 0.088 A 54 GLU H H 1 8.525 0.004 A 54 GLU HA H 1 4.353 0.0 A 54 GLU HBy H 1 2.149 0.004 A 54 GLU HBx H 1 1.782 0.007 A 54 GLU HGy H 1 2.545 0.009 A 54 GLU HGx H 1 2.308 0.006 A 54 GLU CB C 13 30.658 0.046 A 54 GLU CG C 13 35.453 0.054 A 55 LEU H H 1 8.623 0.002 A 55 LEU HA H 1 4.679 0.001 A 55 LEU HBx H 1 1.602 0.013 A 55 LEU HBy H 1 1.935 0.002 A 55 LEU HDx% H 1 0.930 0.013 A 55 LEU HDy% H 1 0.827 0.004 A 55 LEU HG H 1 1.505 0.007 A 55 LEU CB C 13 43.309 0.048 A 55 LEU CDx C 13 23.288 0.015 A 55 LEU CDy C 13 25.850 0.083 A 55 LEU CG C 13 27.538 0.002 A 56 GLY H H 1 7.709 0.01 A 56 GLY HAy H 1 3.959 0.01 A 56 GLY HAx H 1 3.953 0.01 A 56 GLY CA C 13 46.520 0.10 A 57 VAL H H 1 6.536 0.002 A 57 VAL HA H 1 4.407 0.001 A 57 VAL HB H 1 1.678 0.006 A 57 VAL HG1% H 1 0.770 0.01 A 57 VAL HG2% H 1 0.770 0.01 A 57 VAL CB C 13 35.391 0.043 A 57 VAL CG1 C 13 21.338 0.038 A 58 ASP H H 1 8.564 0.002 A 58 ASP HA H 1 4.671 0.006 A 58 ASP HBx H 1 2.405 0.003 A 58 ASP HBy H 1 2.553 0.001 A 58 ASP CB C 13 41.754 0.054 A 59 LEU H H 1 8.411 0.001 A 59 LEU HA H 1 4.518 0.01 A 59 LEU HBx H 1 1.071 0.005 A 59 LEU HBy H 1 1.731 0.004 A 59 LEU HD1% H 1 0.657 0.014 A 59 LEU HD2% H 1 0.657 0.014 A 59 LEU HG H 1 1.402 0.004 A 59 LEU CB C 13 44.218 0.043 A 59 LEU CD2 C 13 24.571 0.044 A 59 LEU CG C 13 26.149 0.10 A 60 PRO HA H 1 4.413 0.01 A 60 PRO HBy H 1 2.406 0.001 A 60 PRO HBx H 1 1.762 0.003 A 60 PRO HDx H 1 3.306 0.01 A 60 PRO HDy H 1 3.846 0.01 A 60 PRO CB C 13 32.351 0.016 A 60 PRO CD C 13 50.575 0.10 A 61 ILE H H 1 8.691 0.001 A 61 ILE HA H 1 3.604 0.005 A 61 ILE HB H 1 1.719 0.004 A 61 ILE HD1% H 1 0.832 0.0 A 61 ILE HG1x H 1 0.996 0.011 A 61 ILE HG1y H 1 1.207 0.003 A 61 ILE HG2% H 1 0.837 0.008 A 61 ILE CA C 13 64.898 0.10 A 61 ILE CB C 13 37.550 0.055 A 61 ILE CG1 C 13 29.207 0.037 A 62 ARG H H 1 8.322 0.003 A 62 ARG HA H 1 4.054 0.004 A 62 ARG HBx H 1 1.605 0.01 A 62 ARG HBy H 1 1.763 0.03 A 62 ARG HDx H 1 3.156 0.005 A 62 ARG HDy H 1 3.156 0.005 A 62 ARG HG2 H 1 1.627 0.003 A 62 ARG HG3 H 1 1.627 0.003 A 62 ARG CA C 13 58.503 0.015 A 62 ARG CB C 13 29.425 0.062 A 62 ARG CD C 13 43.159 0.0 A 62 ARG CG C 13 27.179 0.065 A 63 GLN H H 1 7.482 0.007 A 63 GLN HA H 1 4.028 0.012 A 63 GLN HBx H 1 1.943 0.002 A 63 GLN HBy H 1 2.077 0.001 A 63 GLN HG2 H 1 2.150 0.01 A 63 GLN HG3 H 1 2.150 0.01 A 63 GLN CA C 13 57.753 0.10 A 63 GLN CB C 13 28.440 0.061 A 63 GLN CG C 13 34.100 0.10 A 64 LEU H H 1 7.229 0.004 A 64 LEU HA H 1 3.857 0.006 A 64 LEU HBy H 1 1.597 0.004 A 64 LEU HBx H 1 1.080 0.002 A 64 LEU HDx% H 1 0.193 0.003 A 64 LEU HDy% H 1 0.432 0.005 A 64 LEU HG H 1 1.056 0.007 A 64 LEU CA C 13 57.167 0.065 A 64 LEU CB C 13 40.770 0.024 A 64 LEU CDy C 13 25.241 0.056 A 64 LEU CDx C 13 23.720 0.038 A 64 LEU CG C 13 27.208 0.034 A 65 PHE H H 1 7.408 0.01 A 65 PHE HA H 1 4.366 0.003 A 65 PHE HBx H 1 2.952 0.001 A 65 PHE HBy H 1 3.208 0.003 A 65 PHE HDx H 1 7.056 0.01 A 65 PHE HDy H 1 7.056 0.01 A 65 PHE CB C 13 37.986 0.027 A 66 SER H H 1 7.670 0.01 A 66 SER HB3 H 1 3.939 0.01 A 66 SER CB C 13 63.406 0.10 A 67 SER H H 1 7.744 0.01 A 67 SER HA H 1 4.796 0.01 A 67 SER HB2 H 1 3.822 0.01 A 67 SER CB C 13 64.362 0.10 A 68 PRO HA H 1 5.040 0.01 A 69 THR HA H 1 5.502 0.01 A 69 THR HB H 1 4.674 0.01 A 69 THR HG2% H 1 1.023 0.001 A 69 THR CG2 C 13 21.236 0.017 A 70 PRO HA H 1 3.806 0.01 A 70 PRO HBx H 1 1.596 0.001 A 70 PRO HBy H 1 1.876 0.01 A 70 PRO HD3 H 1 3.576 0.002 A 70 PRO CB C 13 32.791 0.057 A 71 ALA H H 1 8.795 0.01 A 71 ALA HA H 1 4.209 0.01 A 71 ALA HB% H 1 1.300 0.01 A 71 ALA CA C 13 55.088 0.10 A 72 GLY H H 1 8.186 0.01 A 72 GLY HAx H 1 3.720 0.01 A 72 GLY HAy H 1 4.021 0.003 A 72 GLY CA C 13 46.748 0.065 A 73 VAL H H 1 9.123 0.005 A 73 VAL HA H 1 3.564 0.003 A 73 VAL HB H 1 2.062 0.001 A 73 VAL HGx% H 1 0.807 0.01 A 73 VAL HGy% H 1 1.124 0.01 A 73 VAL CA C 13 66.695 0.052 A 73 VAL CB C 13 31.346 0.10 A 74 ALA HA H 1 3.766 0.01 A 74 ALA HB% H 1 1.424 0.01 A 74 ALA CA C 13 55.776 0.10 A 75 ARG H H 1 7.700 0.008 A 75 ARG HA H 1 4.043 0.01 A 75 ARG HBx H 1 1.840 0.01 A 75 ARG HBy H 1 1.989 0.005 A 75 ARG HDy H 1 3.283 0.003 A 75 ARG HDx H 1 3.154 0.001 A 75 ARG HGx H 1 1.580 0.004 A 75 ARG HGy H 1 1.857 0.011 A 75 ARG CA C 13 59.513 0.067 A 75 ARG CB C 13 30.402 0.10 A 75 ARG CD C 13 43.369 0.089 A 75 ARG CG C 13 28.097 0.053 A 77 LEU H H 1 8.461 0.008 A 77 LEU HA H 1 3.978 0.01 A 77 LEU HBy H 1 1.839 0.007 A 77 LEU HBx H 1 1.489 0.01 A 77 LEU HDx% H 1 0.727 0.004 A 77 LEU HDy% H 1 0.815 0.01 A 77 LEU HG H 1 1.945 0.005 A 77 LEU CA C 13 57.061 0.025 A 77 LEU CB C 13 41.236 0.064 A 77 LEU CDy C 13 26.293 0.017 A 77 LEU CDx C 13 23.350 0.02 A 77 LEU CG C 13 26.279 0.025 A 78 ALA H H 1 7.762 0.01 A 78 ALA HA H 1 4.164 0.01 A 78 ALA CA C 13 53.840 0.10 A 79 ALA HA H 1 4.201 0.01 A 79 ALA HB% H 1 1.440 0.01 A 79 ALA CA C 13 53.377 0.10 A 80 LYS H H 1 7.782 0.01 A 80 LYS HA H 1 4.235 0.01 A 80 LYS HB2 H 1 1.803 0.004 A 80 LYS HB3 H 1 1.803 0.004 A 80 LYS CB C 13 32.406 0.048 A 83 SER HA H 1 4.321 0.01 A 83 SER HB2 H 1 3.789 0.01 A 83 SER HB3 H 1 3.789 0.01 A 83 SER CA C 13 58.791 0.10 A 84 TRP HA H 1 4.663 0.01 A 84 TRP HB2 H 1 3.241 0.0 A 84 TRP HB3 H 1 3.241 0.0 A 84 TRP HE3 H 1 7.535 0.01 A 84 TRP CB C 13 29.472 0.003 A 87 PRO HA H 1 4.324 0.01 A 87 PRO HBy H 1 2.205 0.002 A 87 PRO HBx H 1 1.786 0.03 A 87 PRO HG2 H 1 1.977 0.027 A 87 PRO HG3 H 1 1.977 0.027 A 87 PRO CB C 13 31.951 0.052 A 87 PRO CG C 13 27.255 0.10 A 88 GLN HA H 1 4.235 0.01 A 88 GLN HB3 H 1 1.857 0.01 A 88 GLN CA C 13 55.850 0.10 A 89 PHE HB2 H 1 3.176 0.01 A 89 PHE HDx H 1 7.227 0.01 A 89 PHE HDy H 1 7.227 0.01 A 89 PHE CB C 13 39.433 0.10 A 91 LYS HB2 H 1 1.793 0.01 A 91 LYS HB3 H 1 1.793 0.01 A 91 LYS HG3 H 1 1.391 0.01 A 91 LYS CB C 13 33.484 0.10 stop_ save_ save_assigned_chem_shift_list_1_2_3 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1_2_3 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 5 LYS HA H 1 4.232 0.01 A 6 ALA H H 1 8.401 0.01 A 8 GLU H H 1 8.737 0.01 A 8 GLU HB3 H 1 1.909 0.01 A 9 SER HA H 1 4.513 0.0 A 9 SER HBx H 1 3.925 0.01 A 9 SER HBy H 1 4.252 0.01 A 10 ALA HA H 1 4.091 0.01 A 10 ALA HB% H 1 1.472 0.01 A 11 THR HA H 1 3.795 0.01 A 11 THR HB H 1 3.995 0.01 A 11 THR HG2% H 1 1.197 0.01 A 12 GLU H H 1 8.093 0.001 A 12 GLU HBx H 1 1.719 0.01 A 12 GLU HBy H 1 2.293 0.01 A 12 GLU HGx H 1 1.826 0.01 A 12 GLU HGy H 1 2.206 0.01 A 13 LYS H H 1 8.174 0.01 A 13 LYS HA H 1 3.873 0.01 A 13 LYS HBx H 1 1.911 0.006 A 13 LYS HBy H 1 1.916 0.01 A 13 LYS HE2 H 1 2.907 0.0 A 13 LYS HE3 H 1 2.907 0.0 A 13 LYS HG2 H 1 1.379 0.01 A 14 VAL H H 1 7.761 0.0 A 14 VAL HA H 1 3.773 0.01 A 14 VAL HB H 1 2.181 0.001 A 14 VAL HGx% H 1 0.910 0.0 A 14 VAL HGy% H 1 1.108 0.0 A 15 LEU H H 1 8.340 0.003 A 15 LEU HA H 1 3.971 0.01 A 15 LEU HBx H 1 1.088 0.01 A 15 LEU HBy H 1 2.017 0.01 A 15 LEU HD1% H 1 0.826 0.01 A 15 LEU HG H 1 1.819 0.01 A 16 CYS H H 1 8.535 0.01 A 16 CYS HB3 H 1 2.985 0.01 A 17 ALA H H 1 7.622 0.002 A 17 ALA HA H 1 4.204 0.0 A 17 ALA HB% H 1 1.591 0.01 A 18 LEU H H 1 8.683 0.003 A 18 LEU HA H 1 4.192 0.01 A 18 LEU HBy H 1 2.069 0.0 A 18 LEU HBx H 1 1.244 0.01 A 18 LEU HDx% H 1 0.700 0.01 A 18 LEU HDy% H 1 0.824 0.01 A 19 TYR H H 1 9.163 0.01 A 19 TYR HA H 1 3.974 0.001 A 19 TYR HBx H 1 2.727 0.0 A 19 TYR HBy H 1 3.493 0.01 A 19 TYR HDx H 1 7.111 0.001 A 19 TYR HDy H 1 7.111 0.001 A 19 TYR HEx H 1 6.684 0.001 A 19 TYR HEy H 1 6.684 0.001 A 20 ALA H H 1 7.804 0.001 A 20 ALA HA H 1 3.872 0.0 A 20 ALA HB% H 1 1.499 0.001 A 22 ILE H H 1 8.305 0.01 A 22 ILE HA H 1 3.878 0.01 A 22 ILE HB H 1 2.049 0.01 A 22 ILE HD1% H 1 0.801 0.01 A 22 ILE HG13 H 1 1.694 0.01 A 22 ILE HG2% H 1 1.010 0.01 A 23 LEU H H 1 8.490 0.001 A 23 LEU HA H 1 4.132 0.002 A 23 LEU HBx H 1 1.388 0.001 A 23 LEU HBy H 1 1.821 0.01 A 23 LEU HDx% H 1 0.267 0.001 A 23 LEU HDy% H 1 0.670 0.005 A 23 LEU HG H 1 1.586 0.001 A 24 GLY H H 1 7.844 0.01 A 24 GLY HAx H 1 3.878 0.01 A 24 GLY HAy H 1 3.908 0.01 A 25 VAL H H 1 7.378 0.002 A 25 VAL HA H 1 4.601 0.001 A 25 VAL HB H 1 2.148 0.001 A 25 VAL HGx% H 1 0.873 0.001 A 25 VAL HGy% H 1 0.712 0.001 A 26 GLU H H 1 8.422 0.0 A 26 GLU HA H 1 4.017 0.01 A 26 GLU HBy H 1 1.986 0.01 A 26 GLU HBx H 1 1.985 0.001 A 27 ARG HA H 1 4.473 0.002 A 27 ARG HBy H 1 1.721 0.01 A 27 ARG HBx H 1 1.673 0.01 A 27 ARG HD2 H 1 3.130 0.0 A 27 ARG HD3 H 1 3.130 0.0 A 27 ARG HGy H 1 1.470 0.002 A 27 ARG HGx H 1 1.426 0.006 A 28 VAL H H 1 8.347 0.003 A 28 VAL HA H 1 4.091 0.01 A 28 VAL HGx% H 1 1.048 0.01 A 28 VAL HGy% H 1 0.830 0.01 A 29 GLY H H 1 9.182 0.01 A 29 GLY HA3 H 1 4.448 0.01 A 30 VAL H H 1 8.159 0.0 A 30 VAL HA H 1 3.540 0.01 A 30 VAL HB H 1 2.015 0.01 A 30 VAL HG1% H 1 0.828 0.0 A 30 VAL HG2% H 1 0.828 0.0 A 31 ASP H H 1 8.155 0.002 A 31 ASP HA H 1 5.051 0.003 A 31 ASP HBy H 1 2.956 0.007 A 31 ASP HBx H 1 2.486 0.0 A 32 ASP H H 1 7.295 0.0 A 32 ASP HBx H 1 2.425 0.01 A 32 ASP HBy H 1 2.945 0.01 A 33 ALA HA H 1 4.080 0.01 A 33 ALA HB% H 1 1.325 0.01 A 34 PHE H H 1 8.395 0.0 A 34 PHE HA H 1 3.980 0.01 A 34 PHE HBy H 1 3.262 0.003 A 34 PHE HBx H 1 2.851 0.001 A 34 PHE HDx H 1 6.541 0.001 A 34 PHE HDy H 1 6.541 0.001 A 34 PHE HEx H 1 6.929 0.001 A 34 PHE HEy H 1 6.929 0.001 A 34 PHE HZ H 1 6.877 0.01 A 35 HIS HA H 1 4.295 0.001 A 35 HIS HBx H 1 3.141 0.0 A 35 HIS HBy H 1 3.141 0.01 A 35 HIS HD2 H 1 7.014 0.0 A 36 ASP H H 1 6.888 0.002 A 36 ASP HA H 1 4.519 0.001 A 36 ASP HBy H 1 2.749 0.001 A 36 ASP HBx H 1 2.713 0.01 A 37 LEU H H 1 7.155 0.01 A 37 LEU HD2% H 1 0.911 0.01 A 38 GLY HA3 H 1 4.116 0.01 A 39 GLY H H 1 7.644 0.0 A 39 GLY HAx H 1 2.246 0.01 A 39 GLY HAy H 1 3.085 0.01 A 42 ALA HA H 1 4.196 0.01 A 42 ALA HB% H 1 1.424 0.01 A 43 LEU H H 1 7.806 0.001 A 43 LEU HA H 1 4.149 0.01 A 43 LEU HBx H 1 1.439 0.01 A 43 LEU HBy H 1 1.818 0.01 A 43 LEU HDx% H 1 0.962 0.004 A 43 LEU HDy% H 1 0.909 0.01 A 44 ALA HB% H 1 1.428 0.01 A 45 MET H H 1 7.744 0.0 A 45 MET HA H 1 4.163 0.001 A 45 MET HBx H 1 2.124 0.0 A 45 MET HBy H 1 2.231 0.001 A 45 MET HE% H 1 2.124 0.0 A 45 MET HGy H 1 2.787 0.004 A 45 MET HGx H 1 2.708 0.004 A 46 ARG H H 1 7.295 0.01 A 46 ARG HA H 1 4.170 0.01 A 46 ARG HB2 H 1 2.021 0.01 A 46 ARG HB3 H 1 2.021 0.01 A 47 LEU H H 1 8.257 0.001 A 47 LEU HA H 1 3.894 0.001 A 47 LEU HBy H 1 1.906 0.01 A 47 LEU HBx H 1 1.219 0.01 A 47 LEU HDx% H 1 0.177 0.001 A 47 LEU HDy% H 1 0.798 0.01 A 47 LEU HG H 1 1.300 0.01 A 48 ILE H H 1 8.486 0.002 A 48 ILE HA H 1 3.552 0.01 A 48 ILE HB H 1 1.970 0.01 A 48 ILE HD1% H 1 0.727 0.01 A 48 ILE HG1x H 1 1.298 0.01 A 48 ILE HG1y H 1 1.494 0.01 A 48 ILE HG2% H 1 1.009 0.01 A 49 ALA H H 1 7.645 0.0 A 49 ALA HA H 1 4.198 0.01 A 49 ALA HB% H 1 1.557 0.01 A 50 ARG H H 1 8.030 0.001 A 50 ARG HA H 1 4.262 0.01 A 50 ARG HBy H 1 2.031 0.01 A 50 ARG HBx H 1 1.926 0.01 A 51 ILE H H 1 8.853 0.002 A 51 ILE HA H 1 3.370 0.002 A 51 ILE HB H 1 2.006 0.0 A 51 ILE HD1% H 1 0.655 0.002 A 51 ILE HG1x H 1 0.664 0.017 A 51 ILE HG1y H 1 1.932 0.006 A 51 ILE HG2% H 1 0.843 0.012 A 52 ARG H H 1 7.821 0.01 A 52 ARG HA H 1 4.066 0.002 A 52 ARG HB2 H 1 1.922 0.01 A 52 ARG HD2 H 1 3.062 0.002 A 52 ARG HGy H 1 1.514 0.01 A 52 ARG HGx H 1 1.464 0.01 A 53 GLU H H 1 7.866 0.001 A 53 GLU HA H 1 3.953 0.01 A 53 GLU HB2 H 1 2.263 0.01 A 53 GLU HGx H 1 2.263 0.01 A 53 GLU HGy H 1 2.514 0.01 A 54 GLU H H 1 8.524 0.001 A 54 GLU HA H 1 4.356 0.01 A 54 GLU HB3 H 1 1.781 0.01 A 54 GLU HG3 H 1 2.327 0.01 A 55 LEU H H 1 8.639 0.001 A 55 LEU HA H 1 4.681 0.0 A 55 LEU HB3 H 1 1.938 0.01 A 55 LEU HDx% H 1 0.939 0.003 A 55 LEU HDy% H 1 0.836 0.01 A 55 LEU HG H 1 1.510 0.01 A 56 GLY H H 1 7.711 0.0 A 56 GLY HAy H 1 3.957 0.01 A 56 GLY HAx H 1 3.951 0.0 A 57 VAL H H 1 6.537 0.003 A 57 VAL HA H 1 4.419 0.01 A 57 VAL HB H 1 1.680 0.01 A 57 VAL HG1% H 1 0.740 0.01 A 57 VAL HG2% H 1 0.740 0.01 A 58 ASP H H 1 8.573 0.0 A 58 ASP HA H 1 4.688 0.01 A 58 ASP HBx H 1 2.389 0.01 A 58 ASP HBy H 1 2.552 0.01 A 59 LEU H H 1 8.433 0.001 A 59 LEU HA H 1 4.512 0.01 A 59 LEU HBx H 1 1.070 0.01 A 59 LEU HBy H 1 1.739 0.01 A 59 LEU HDx% H 1 0.701 0.01 A 59 LEU HDy% H 1 0.608 0.01 A 60 PRO HA H 1 4.401 0.01 A 60 PRO HB2 H 1 2.382 0.01 A 60 PRO HD2 H 1 3.291 0.01 A 61 ILE H H 1 8.697 0.004 A 61 ILE HB H 1 1.725 0.01 A 61 ILE HD1% H 1 0.874 0.001 A 61 ILE HG12 H 1 0.993 0.01 A 61 ILE HG2% H 1 0.874 0.001 A 62 ARG H H 1 8.334 0.002 A 62 ARG HA H 1 4.061 0.01 A 62 ARG HBx H 1 1.618 0.019 A 62 ARG HBy H 1 1.744 0.01 A 62 ARG HD2 H 1 3.152 0.001 A 62 ARG HD3 H 1 3.152 0.001 A 62 ARG HG2 H 1 1.650 0.005 A 62 ARG HG3 H 1 1.650 0.005 A 63 GLN H H 1 7.482 0.0 A 63 GLN HA H 1 4.032 0.01 A 63 GLN HBx H 1 1.985 0.01 A 63 GLN HBy H 1 2.073 0.01 A 63 GLN HE21 H 1 7.737 0.01 A 64 LEU H H 1 7.243 0.001 A 64 LEU HA H 1 3.861 0.002 A 64 LEU HBy H 1 1.601 0.01 A 64 LEU HBx H 1 1.075 0.01 A 64 LEU HDx% H 1 0.189 0.01 A 64 LEU HDy% H 1 0.434 0.01 A 64 LEU HG H 1 1.030 0.01 A 65 PHE H H 1 7.414 0.0 A 65 PHE HA H 1 4.366 0.001 A 65 PHE HBx H 1 2.956 0.002 A 65 PHE HBy H 1 3.217 0.01 A 65 PHE HDx H 1 7.091 0.01 A 65 PHE HDy H 1 7.091 0.01 A 65 PHE HEx H 1 7.168 0.005 A 65 PHE HEy H 1 7.168 0.005 A 65 PHE HZ H 1 7.211 0.01 A 66 SER H H 1 7.663 0.0 A 66 SER HA H 1 4.370 0.01 A 66 SER HB2 H 1 3.970 0.01 A 67 SER H H 1 7.745 0.01 A 68 PRO HBx H 1 2.369 0.01 A 68 PRO HBy H 1 2.523 0.01 A 68 PRO HD3 H 1 3.792 0.01 A 69 THR H H 1 8.244 0.001 A 69 THR HA H 1 5.514 0.003 A 69 THR HB H 1 4.686 0.001 A 69 THR HG2% H 1 1.011 0.01 A 70 PRO HBx H 1 1.585 0.01 A 70 PRO HBy H 1 1.850 0.01 A 70 PRO HD2 H 1 3.540 0.01 A 70 PRO HD3 H 1 3.540 0.01 A 70 PRO HG2 H 1 2.000 0.01 A 70 PRO HG3 H 1 2.000 0.01 A 71 ALA H H 1 8.809 0.0 A 71 ALA HA H 1 4.129 0.01 A 71 ALA HB% H 1 1.307 0.0 A 72 GLY H H 1 8.192 0.01 A 72 GLY HA3 H 1 4.029 0.01 A 73 VAL H H 1 9.124 0.01 A 73 VAL HG2% H 1 1.121 0.01 A 74 ALA H H 1 8.667 0.01 A 74 ALA HB% H 1 1.425 0.01 A 75 ARG H H 1 7.698 0.0 A 75 ARG HA H 1 4.043 0.01 A 75 ARG HB3 H 1 1.999 0.01 A 75 ARG HDy H 1 3.287 0.005 A 75 ARG HDx H 1 3.152 0.01 A 75 ARG HGx H 1 1.587 0.006 A 75 ARG HGy H 1 1.864 0.01 A 76 ALA H H 1 7.877 0.01 A 76 ALA HA H 1 4.152 0.01 A 76 ALA HB% H 1 1.469 0.01 A 77 LEU H H 1 8.469 0.002 A 77 LEU HBy H 1 1.843 0.01 A 77 LEU HBx H 1 1.477 0.01 A 77 LEU HD1% H 1 0.728 0.01 A 77 LEU HG H 1 1.961 0.01 A 78 ALA H H 1 7.776 0.0 A 78 ALA HA H 1 4.167 0.01 A 78 ALA HB% H 1 1.482 0.01 A 80 LYS HA H 1 4.225 0.01 A 81 SER H H 1 7.890 0.01 A 82 ALA H H 1 7.805 0.01 A 82 ALA HB% H 1 1.500 0.01 A 84 TRP H H 1 7.790 0.01 A 84 TRP HA H 1 4.675 0.01 A 84 TRP HB2 H 1 3.257 0.003 A 84 TRP HB3 H 1 3.257 0.003 A 84 TRP HE3 H 1 7.414 0.01 A 84 TRP HH2 H 1 7.170 0.01 A 89 PHE HA H 1 4.645 0.01 A 89 PHE HDx H 1 7.228 0.002 A 89 PHE HDy H 1 7.228 0.002 A 89 PHE HEx H 1 7.284 0.01 A 89 PHE HEy H 1 7.284 0.01 A 89 PHE HZ H 1 7.284 0.01 stop_ save_ save_assigned_chem_shift_list_1_2_3_4 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1_2_3_4 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 4 ALA HA H 1 4.246 0.01 A 5 LYS H H 1 8.266 0.01 A 5 LYS HA H 1 4.230 0.01 A 5 LYS HD2 H 1 1.648 0.01 A 5 LYS HD3 H 1 1.648 0.01 A 5 LYS N N 15 121.859 0.10 A 6 ALA H H 1 8.403 0.01 A 6 ALA HB% H 1 1.349 0.01 A 6 ALA N N 15 128.007 0.10 A 7 PRO HA H 1 4.333 0.01 A 7 PRO HBy H 1 2.190 0.01 A 7 PRO HBx H 1 1.837 0.01 A 8 GLU H H 1 8.724 0.002 A 8 GLU HA H 1 4.377 0.01 A 8 GLU HBy H 1 2.009 0.01 A 8 GLU HBx H 1 1.903 0.01 A 8 GLU N N 15 121.734 0.042 A 9 SER H H 1 8.709 0.01 A 9 SER HB2 H 1 3.927 0.01 A 9 SER N N 15 118.068 0.10 A 10 ALA HA H 1 4.103 0.01 A 11 THR HA H 1 3.788 0.01 A 11 THR HB H 1 4.019 0.01 A 11 THR HG2% H 1 1.194 0.01 A 12 GLU H H 1 8.085 0.001 A 12 GLU HA H 1 3.564 0.01 A 12 GLU HBx H 1 1.713 0.01 A 12 GLU HBy H 1 2.284 0.01 A 12 GLU HGx H 1 1.826 0.01 A 12 GLU HGy H 1 2.186 0.01 A 12 GLU N N 15 121.145 0.038 A 13 LYS H H 1 8.155 0.001 A 13 LYS HA H 1 3.877 0.01 A 13 LYS HB2 H 1 1.903 0.01 A 13 LYS HB3 H 1 1.903 0.01 A 13 LYS HD2 H 1 1.589 0.01 A 13 LYS HD3 H 1 1.589 0.01 A 13 LYS HGx H 1 1.372 0.01 A 13 LYS HGy H 1 1.561 0.01 A 13 LYS N N 15 118.947 0.009 A 14 VAL H H 1 7.751 0.0 A 14 VAL HA H 1 3.770 0.01 A 14 VAL HB H 1 2.172 0.01 A 14 VAL HGx% H 1 0.895 0.01 A 14 VAL HGy% H 1 1.095 0.01 A 14 VAL N N 15 120.951 0.012 A 15 LEU H H 1 8.330 0.001 A 15 LEU HA H 1 3.957 0.01 A 15 LEU HBx H 1 1.093 0.01 A 15 LEU HBy H 1 1.994 0.01 A 15 LEU HD1% H 1 0.826 0.01 A 15 LEU HG H 1 1.813 0.01 A 15 LEU N N 15 118.960 0.018 A 16 CYS H H 1 8.520 0.0 A 16 CYS HA H 1 3.632 0.01 A 16 CYS HB3 H 1 2.964 0.01 A 16 CYS N N 15 116.895 0.012 A 17 ALA H H 1 7.608 0.0 A 17 ALA HA H 1 4.191 0.01 A 17 ALA HB% H 1 1.581 0.01 A 17 ALA N N 15 123.072 0.011 A 18 LEU H H 1 8.672 0.001 A 18 LEU HA H 1 4.198 0.01 A 18 LEU HBy H 1 2.058 0.01 A 18 LEU HBx H 1 1.238 0.01 A 18 LEU HDx% H 1 0.687 0.01 A 18 LEU HDy% H 1 0.815 0.01 A 18 LEU N N 15 120.535 0.016 A 19 TYR H H 1 9.148 0.003 A 19 TYR HA H 1 3.959 0.01 A 19 TYR HBx H 1 2.730 0.01 A 19 TYR HBy H 1 3.504 0.01 A 19 TYR HDx H 1 7.095 0.01 A 19 TYR HDy H 1 7.095 0.01 A 19 TYR N N 15 120.622 0.019 A 20 ALA H H 1 7.795 0.0 A 20 ALA HA H 1 3.870 0.01 A 20 ALA HB% H 1 1.488 0.01 A 20 ALA N N 15 120.017 0.001 A 21 GLU H H 1 8.052 0.001 A 21 GLU HA H 1 3.980 0.01 A 21 GLU HB2 H 1 2.261 0.01 A 21 GLU HB3 H 1 2.261 0.01 A 21 GLU HGy H 1 2.404 0.01 A 21 GLU HGx H 1 1.952 0.01 A 21 GLU N N 15 118.168 0.019 A 22 ILE H H 1 8.295 0.001 A 22 ILE HA H 1 3.890 0.01 A 22 ILE HB H 1 2.059 0.01 A 22 ILE HD1% H 1 0.790 0.01 A 22 ILE HG1x H 1 1.337 0.01 A 22 ILE HG1y H 1 1.681 0.01 A 22 ILE HG2% H 1 0.990 0.01 A 22 ILE N N 15 118.484 0.01 A 23 LEU H H 1 8.482 0.001 A 23 LEU HA H 1 4.119 0.01 A 23 LEU HBx H 1 1.364 0.01 A 23 LEU HBy H 1 1.807 0.01 A 23 LEU HDx% H 1 0.255 0.01 A 23 LEU HDy% H 1 0.664 0.01 A 23 LEU HG H 1 1.574 0.01 A 23 LEU N N 15 116.505 0.016 A 24 GLY H H 1 7.851 0.01 A 24 GLY HA2 H 1 3.909 0.01 A 24 GLY HA3 H 1 3.909 0.01 A 24 GLY N N 15 108.673 0.10 A 25 VAL H H 1 7.367 0.001 A 25 VAL HA H 1 4.593 0.01 A 25 VAL HB H 1 2.133 0.01 A 25 VAL HGx% H 1 0.860 0.01 A 25 VAL HGy% H 1 0.703 0.01 A 25 VAL N N 15 112.454 0.013 A 26 GLU H H 1 8.416 0.001 A 26 GLU HA H 1 3.998 0.01 A 26 GLU HB2 H 1 1.977 0.01 A 26 GLU HB3 H 1 1.977 0.01 A 26 GLU HG2 H 1 2.290 0.01 A 26 GLU N N 15 120.059 0.033 A 27 ARG H H 1 7.719 0.0 A 27 ARG HA H 1 4.461 0.01 A 27 ARG HBy H 1 1.718 0.01 A 27 ARG HBx H 1 1.655 0.01 A 27 ARG HGy H 1 1.489 0.01 A 27 ARG HGx H 1 1.468 0.01 A 27 ARG N N 15 115.474 0.029 A 28 VAL H H 1 8.339 0.001 A 28 VAL HA H 1 4.073 0.01 A 28 VAL HB H 1 2.019 0.01 A 28 VAL HGx% H 1 1.026 0.01 A 28 VAL HGy% H 1 0.846 0.024 A 28 VAL N N 15 123.758 0.048 A 29 GLY H H 1 9.184 0.0 A 29 GLY HAx H 1 3.669 0.01 A 29 GLY HAy H 1 4.455 0.01 A 29 GLY N N 15 115.346 0.006 A 30 VAL H H 1 8.143 0.001 A 30 VAL HA H 1 3.574 0.01 A 30 VAL HB H 1 2.005 0.01 A 30 VAL HG1% H 1 0.820 0.01 A 30 VAL HG2% H 1 0.820 0.01 A 30 VAL N N 15 112.020 0.013 A 31 ASP H H 1 8.139 0.001 A 31 ASP HA H 1 5.035 0.01 A 31 ASP HBy H 1 2.948 0.01 A 31 ASP HBx H 1 2.474 0.01 A 31 ASP N N 15 116.073 0.021 A 32 ASP H H 1 7.286 0.001 A 32 ASP HA H 1 4.610 0.01 A 32 ASP HBx H 1 2.419 0.01 A 32 ASP HBy H 1 2.938 0.01 A 32 ASP N N 15 122.708 0.007 A 33 ALA H H 1 8.814 0.001 A 33 ALA HA H 1 4.035 0.01 A 33 ALA HB% H 1 1.330 0.01 A 33 ALA N N 15 123.419 0.054 A 34 PHE H H 1 8.390 0.001 A 34 PHE HA H 1 3.970 0.01 A 34 PHE HBy H 1 3.257 0.01 A 34 PHE HBx H 1 2.833 0.01 A 34 PHE HDx H 1 6.579 0.01 A 34 PHE HDy H 1 6.579 0.01 A 34 PHE HZ H 1 6.883 0.01 A 34 PHE N N 15 121.124 0.016 A 35 HIS H H 1 8.186 0.01 A 35 HIS N N 15 113.891 0.10 A 36 ASP H H 1 6.870 0.01 A 36 ASP HA H 1 4.520 0.01 A 36 ASP HB2 H 1 2.709 0.01 A 36 ASP HB3 H 1 2.709 0.01 A 37 LEU H H 1 7.117 0.004 A 37 LEU HA H 1 4.351 0.01 A 37 LEU HBy H 1 1.755 0.01 A 37 LEU HBx H 1 1.562 0.01 A 37 LEU HDx% H 1 0.902 0.01 A 37 LEU HDy% H 1 0.899 0.01 A 37 LEU HG H 1 1.692 0.01 A 37 LEU N N 15 119.054 0.046 A 38 GLY H H 1 7.496 0.0 A 38 GLY HAx H 1 3.648 0.01 A 38 GLY HAy H 1 4.138 0.01 A 38 GLY N N 15 104.907 0.016 A 39 GLY H H 1 7.636 0.003 A 39 GLY HAx H 1 2.237 0.01 A 39 GLY HAy H 1 3.074 0.01 A 39 GLY N N 15 107.221 0.017 A 40 SER H H 1 6.865 0.01 A 40 SER N N 15 116.728 0.10 A 41 SER HA H 1 4.796 0.01 A 41 SER HB2 H 1 4.322 0.01 A 42 ALA HB% H 1 1.443 0.01 A 43 LEU H H 1 7.794 0.0 A 43 LEU HA H 1 4.147 0.01 A 43 LEU HBx H 1 1.443 0.01 A 43 LEU HBy H 1 1.760 0.01 A 43 LEU HD1% H 1 0.929 0.01 A 43 LEU HD2% H 1 0.929 0.01 A 43 LEU HG H 1 1.770 0.01 A 43 LEU N N 15 118.525 0.012 A 44 ALA H H 1 8.802 0.001 A 44 ALA HA H 1 3.598 0.01 A 44 ALA HB% H 1 1.438 0.01 A 44 ALA N N 15 123.546 0.007 A 45 MET H H 1 7.733 0.001 A 45 MET HA H 1 4.162 0.01 A 45 MET HBx H 1 2.120 0.01 A 45 MET HBy H 1 2.223 0.01 A 45 MET HE% H 1 2.120 0.01 A 45 MET HGy H 1 2.785 0.01 A 45 MET HGx H 1 2.687 0.01 A 45 MET N N 15 114.876 0.023 A 46 ARG H H 1 7.286 0.001 A 46 ARG HA H 1 4.162 0.01 A 46 ARG HB2 H 1 2.024 0.01 A 46 ARG HB3 H 1 2.024 0.01 A 46 ARG HD2 H 1 3.281 0.01 A 46 ARG HGx H 1 1.719 0.01 A 46 ARG HGy H 1 1.842 0.01 A 46 ARG N N 15 120.157 0.021 A 47 LEU H H 1 8.242 0.001 A 47 LEU HA H 1 3.878 0.01 A 47 LEU HBy H 1 1.894 0.01 A 47 LEU HBx H 1 1.209 0.01 A 47 LEU HDx% H 1 0.165 0.01 A 47 LEU HDy% H 1 0.763 0.01 A 47 LEU HG H 1 1.289 0.01 A 47 LEU N N 15 121.213 0.025 A 48 ILE H H 1 8.473 0.001 A 48 ILE HA H 1 3.559 0.01 A 48 ILE HB H 1 2.010 0.01 A 48 ILE HD1% H 1 0.703 0.01 A 48 ILE HG1x H 1 1.285 0.01 A 48 ILE HG1y H 1 1.494 0.01 A 48 ILE HG2% H 1 1.000 0.01 A 48 ILE N N 15 118.829 0.052 A 49 ALA H H 1 7.633 0.0 A 49 ALA HA H 1 4.182 0.01 A 49 ALA HB% H 1 1.548 0.01 A 49 ALA N N 15 123.861 0.006 A 50 ARG H H 1 8.022 0.002 A 50 ARG HA H 1 4.222 0.01 A 50 ARG HBy H 1 2.013 0.01 A 50 ARG HBx H 1 1.906 0.01 A 50 ARG HDy H 1 3.463 0.01 A 50 ARG HDx H 1 3.110 0.01 A 50 ARG N N 15 118.738 0.035 A 51 ILE H H 1 8.842 0.002 A 51 ILE HA H 1 3.362 0.01 A 51 ILE HB H 1 1.957 0.054 A 51 ILE HD1% H 1 0.648 0.01 A 51 ILE HG1x H 1 0.648 0.01 A 51 ILE HG1y H 1 1.903 0.01 A 51 ILE HG2% H 1 0.827 0.01 A 51 ILE N N 15 121.144 0.035 A 52 ARG H H 1 7.828 0.002 A 52 ARG HA H 1 4.060 0.01 A 52 ARG HBx H 1 1.927 0.01 A 52 ARG HBy H 1 2.011 0.01 A 52 ARG HD2 H 1 3.050 0.01 A 52 ARG HG2 H 1 1.496 0.01 A 52 ARG HG3 H 1 1.496 0.01 A 52 ARG N N 15 121.295 0.062 A 53 GLU H H 1 7.862 0.001 A 53 GLU HA H 1 3.956 0.01 A 53 GLU HBy H 1 2.254 0.01 A 53 GLU HBx H 1 2.041 0.01 A 53 GLU HGx H 1 2.254 0.01 A 53 GLU HGy H 1 2.509 0.01 A 53 GLU N N 15 118.954 0.007 A 54 GLU H H 1 8.513 0.001 A 54 GLU HA H 1 4.344 0.01 A 54 GLU HBy H 1 2.129 0.01 A 54 GLU HBx H 1 1.772 0.01 A 54 GLU HGy H 1 2.549 0.01 A 54 GLU HGx H 1 2.319 0.01 A 54 GLU N N 15 114.503 0.03 A 55 LEU H H 1 8.627 0.002 A 55 LEU HA H 1 4.673 0.01 A 55 LEU HBx H 1 1.591 0.01 A 55 LEU HBy H 1 1.933 0.01 A 55 LEU HDx% H 1 0.929 0.01 A 55 LEU HDy% H 1 0.822 0.01 A 55 LEU HG H 1 1.500 0.01 A 55 LEU N N 15 115.669 0.013 A 56 GLY H H 1 7.702 0.01 A 56 GLY HA2 H 1 3.946 0.01 A 56 GLY HA3 H 1 3.946 0.01 A 56 GLY N N 15 107.969 0.10 A 57 VAL H H 1 6.525 0.0 A 57 VAL HA H 1 4.403 0.01 A 57 VAL HB H 1 1.667 0.01 A 57 VAL HGx% H 1 0.757 0.01 A 57 VAL HGy% H 1 0.734 0.01 A 57 VAL N N 15 113.303 0.006 A 58 ASP H H 1 8.558 0.001 A 58 ASP HA H 1 4.674 0.01 A 58 ASP HBx H 1 2.398 0.01 A 58 ASP HBy H 1 2.546 0.01 A 58 ASP N N 15 124.650 0.015 A 59 LEU H H 1 8.419 0.002 A 59 LEU HA H 1 4.513 0.01 A 59 LEU HBx H 1 1.039 0.01 A 59 LEU HBy H 1 1.727 0.01 A 59 LEU HDx% H 1 0.673 0.01 A 59 LEU HDy% H 1 0.648 0.01 A 59 LEU HG H 1 1.373 0.01 A 59 LEU N N 15 127.500 0.06 A 60 PRO HA H 1 4.375 0.01 A 60 PRO HBy H 1 2.403 0.01 A 60 PRO HBx H 1 1.758 0.01 A 60 PRO HD3 H 1 3.845 0.01 A 61 ILE H H 1 8.683 0.005 A 61 ILE HA H 1 3.603 0.01 A 61 ILE HB H 1 1.718 0.01 A 61 ILE HD1% H 1 0.860 0.01 A 61 ILE HG1x H 1 0.974 0.01 A 61 ILE HG1y H 1 1.203 0.01 A 61 ILE HG2% H 1 0.860 0.01 A 61 ILE N N 15 126.306 0.082 A 62 ARG H H 1 8.320 0.001 A 62 ARG HA H 1 4.051 0.01 A 62 ARG HBx H 1 1.611 0.01 A 62 ARG HBy H 1 1.758 0.01 A 62 ARG HD2 H 1 3.140 0.01 A 62 ARG HD3 H 1 3.140 0.01 A 62 ARG HG2 H 1 1.611 0.01 A 62 ARG HG3 H 1 1.611 0.01 A 62 ARG N N 15 118.155 0.02 A 63 GLN H H 1 7.471 0.001 A 63 GLN HA H 1 4.025 0.01 A 63 GLN HBx H 1 1.941 0.01 A 63 GLN HBy H 1 2.071 0.01 A 63 GLN HE21 H 1 7.740 0.01 A 63 GLN HE22 H 1 7.072 0.001 A 63 GLN HG2 H 1 2.162 0.014 A 63 GLN HG3 H 1 2.162 0.014 A 63 GLN N N 15 118.017 0.032 A 63 GLN NE2 N 15 114.605 0.01 A 64 LEU H H 1 7.232 0.0 A 64 LEU HA H 1 3.845 0.01 A 64 LEU HBy H 1 1.592 0.01 A 64 LEU HBx H 1 1.058 0.01 A 64 LEU HD1% H 1 0.178 0.01 A 64 LEU HG H 1 1.058 0.01 A 64 LEU N N 15 119.771 0.06 A 65 PHE H H 1 7.405 0.002 A 65 PHE HA H 1 4.358 0.01 A 65 PHE HBx H 1 2.947 0.01 A 65 PHE HBy H 1 3.199 0.01 A 65 PHE HDx H 1 7.096 0.01 A 65 PHE HDy H 1 7.096 0.01 A 65 PHE N N 15 112.397 0.017 A 66 SER H H 1 7.648 0.001 A 66 SER HA H 1 4.362 0.01 A 66 SER HB2 H 1 3.950 0.01 A 66 SER HB3 H 1 3.950 0.01 A 66 SER N N 15 113.908 0.01 A 67 SER H H 1 7.737 0.008 A 67 SER HA H 1 4.798 0.01 A 67 SER HBy H 1 3.810 0.01 A 67 SER HBx H 1 3.650 0.01 A 67 SER N N 15 115.338 0.042 A 68 PRO HA H 1 4.997 0.01 A 68 PRO HBx H 1 2.361 0.01 A 68 PRO HBy H 1 2.533 0.01 A 68 PRO HDx H 1 3.422 0.01 A 68 PRO HDy H 1 3.810 0.01 A 69 THR H H 1 8.227 0.001 A 69 THR HA H 1 5.501 0.01 A 69 THR HB H 1 4.676 0.01 A 69 THR HG2% H 1 1.016 0.01 A 69 THR N N 15 119.015 0.019 A 70 PRO HA H 1 3.763 0.01 A 70 PRO HBx H 1 1.568 0.01 A 70 PRO HBy H 1 1.857 0.01 A 70 PRO HDx H 1 3.540 0.01 A 70 PRO HDy H 1 3.577 0.01 A 70 PRO HG2 H 1 1.997 0.01 A 70 PRO HG3 H 1 1.997 0.01 A 71 ALA H H 1 8.792 0.0 A 71 ALA HA H 1 4.109 0.01 A 71 ALA HB% H 1 1.295 0.01 A 71 ALA N N 15 116.012 0.0 A 72 GLY H H 1 8.180 0.001 A 72 GLY HAx H 1 3.715 0.01 A 72 GLY HAy H 1 4.022 0.01 A 72 GLY N N 15 108.888 0.002 A 73 VAL H H 1 9.120 0.001 A 73 VAL HA H 1 3.558 0.01 A 73 VAL HB H 1 2.065 0.01 A 73 VAL HGx% H 1 0.807 0.01 A 73 VAL HGy% H 1 1.125 0.01 A 73 VAL N N 15 126.348 0.02 A 74 ALA H H 1 8.651 0.0 A 74 ALA HA H 1 3.763 0.01 A 74 ALA HB% H 1 1.414 0.01 A 74 ALA N N 15 121.416 0.004 A 75 ARG H H 1 7.684 0.0 A 75 ARG HA H 1 4.031 0.01 A 75 ARG HBx H 1 1.856 0.01 A 75 ARG HBy H 1 1.986 0.01 A 75 ARG HGx H 1 1.580 0.01 A 75 ARG HGy H 1 1.837 0.01 A 75 ARG N N 15 117.984 0.027 A 76 ALA H H 1 7.867 0.001 A 76 ALA HA H 1 4.152 0.01 A 76 ALA HB% H 1 1.455 0.01 A 76 ALA N N 15 123.500 0.007 A 77 LEU H H 1 8.456 0.001 A 77 LEU HA H 1 3.964 0.01 A 77 LEU HBy H 1 1.831 0.01 A 77 LEU HBx H 1 1.493 0.01 A 77 LEU HDx% H 1 0.717 0.01 A 77 LEU HDy% H 1 0.815 0.01 A 77 LEU HG H 1 1.943 0.01 A 77 LEU N N 15 117.805 0.016 A 78 ALA H H 1 7.763 0.0 A 78 ALA HA H 1 4.157 0.01 A 78 ALA HB% H 1 1.472 0.01 A 78 ALA N N 15 121.595 0.012 A 79 ALA H H 1 7.594 0.001 A 79 ALA HA H 1 4.183 0.01 A 79 ALA HB% H 1 1.440 0.01 A 79 ALA N N 15 120.077 0.032 A 80 LYS H H 1 7.781 0.01 A 80 LYS HA H 1 4.222 0.01 A 80 LYS N N 15 118.073 0.10 A 88 GLN HA H 1 4.224 0.01 A 89 PHE H H 1 8.138 0.01 A 89 PHE N N 15 120.564 0.10 A 90 GLU HA H 1 4.223 0.01 A 90 GLU HB3 H 1 1.999 0.01 A 91 LYS H H 1 7.886 0.005 A 91 LYS HA H 1 4.101 0.01 A 91 LYS HB2 H 1 1.791 0.01 A 91 LYS HD3 H 1 1.679 0.01 A 91 LYS HG2 H 1 1.344 0.01 A 91 LYS N N 15 127.347 0.116 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 15 LEU HBx A 15 LEU HD1% 1.0 0.0 3.90 2 2 A 15 LEU HD1% A 12 GLU HA 1.0 0.0 3.59 3 3 A 77 LEU HA A 77 LEU HDy% 1.0 0.0 3.66 4 3 A 15 LEU HA A 18 LEU HDy% 1.0 0.0 3.66 5 4 A 15 LEU HD1% A 74 ALA HA 1.0 0.0 3.83 6 4 A 15 LEU HD1% A 11 THR HA 1.0 0.0 3.83 7 5 A 18 LEU HDy% A 18 LEU HA 1.0 0.0 3.22 8 6 A 18 LEU HDy% A 54 GLU HGx 1.0 0.0 3.73 9 7 A 15 LEU HA A 18 LEU HDy% 1.0 0.0 3.98 10 7 A 15 LEU HD1% A 15 LEU HA 1.0 0.0 3.98 11 8 A 21 GLU H A 21 GLU HB2 1.0 0.0 3.93 12 9 A 21 GLU HA A 21 GLU HGx 1.0 0.0 4.23 13 10 A 23 LEU HA A 23 LEU HDx% 1.0 0.0 3.37 14 11 A 23 LEU HDx% A 39 GLY HAy 1.0 0.0 4.20 15 12 A 23 LEU HBx A 25 VAL HGy% 1.0 0.0 3.92 16 12 A 23 LEU HBx A 23 LEU HDy% 1.0 0.0 3.92 17 13 A 23 LEU HDx% A 43 LEU HD1% 1.0 0.0 3.25 18 14 A 23 LEU HDx% A 23 LEU HBy 1.0 0.0 3.74 19 15 A 23 LEU HDx% A 23 LEU HBx 1.0 0.0 3.75 20 16 A 23 LEU HA A 23 LEU HDy% 1.0 0.0 4.41 21 17 A 77 LEU H A 63 GLN HG2 1.0 0.0 3.87 22 17 A 63 GLN HG3 A 77 LEU H 1.0 0.0 3.87 23 17 A 25 VAL HB A 26 GLU H 1.0 0.0 3.87 24 18 A 75 ARG H A 75 ARG HBy 1.0 0.0 3.50 25 18 A 27 ARG H A 26 GLU HB2 1.0 0.0 3.50 26 18 A 27 ARG H A 26 GLU HB3 1.0 0.0 3.50 27 19 A 27 ARG H A 25 VAL HGx% 1.0 0.0 5.16 28 20 A 20 ALA HB% A 28 VAL HGx% 1.0 0.0 4.22 29 21 A 19 TYR HBx A 28 VAL HGy% 1.0 0.0 3.99 30 22 A 28 VAL HGy% A 16 CYS HB3 1.0 0.0 4.59 31 23 A 28 VAL HGx% A 32 ASP HBy 1.0 0.0 4.37 32 23 A 28 VAL HGx% A 16 CYS HB3 1.0 0.0 4.37 33 24 A 12 GLU HGy A 30 VAL HG1% 1.0 0.0 4.54 34 25 A 28 VAL HGy% A 32 ASP HBx 1.0 0.0 5.05 35 26 A 12 GLU HGx A 30 VAL HG1% 1.0 0.0 4.83 36 27 A 12 GLU HBx A 30 VAL HG1% 1.0 0.0 4.08 37 28 A 71 ALA HB% A 30 VAL HG1% 1.0 0.0 4.29 38 29 A 25 VAL HGy% A 28 VAL HGy% 1.0 0.0 4.04 39 30 A 28 VAL HGy% A 19 TYR HA 1.0 0.0 4.79 40 31 A 28 VAL HGy% A 19 TYR HBy 1.0 0.0 3.76 41 32 A 30 VAL HA A 30 VAL HG1% 1.0 0.0 3.50 42 33 A 28 VAL HGy% A 29 GLY H 1.0 0.0 4.37 43 34 A 31 ASP H A 30 VAL HG1% 1.0 0.0 3.84 44 34 A 30 VAL H A 30 VAL HG1% 1.0 0.0 3.84 45 35 A 28 VAL HGx% A 28 VAL H 1.0 0.0 4.19 46 36 A 28 VAL HGx% A 20 ALA H 1.0 0.0 4.13 47 37 A 31 ASP HBy A 69 THR HG2% 1.0 0.0 4.43 48 38 A 13 LYS HGx A 13 LYS HE2 1.0 0.0 3.87 49 38 A 13 LYS HGx A 13 LYS HE3 1.0 0.0 3.87 50 39 A 58 ASP HBy A 59 LEU H 1.0 0.0 4.40 51 40 A 25 VAL HGx% A 37 LEU HBy 1.0 0.0 3.80 52 41 A 39 GLY HAy A 43 LEU HD1% 1.0 0.0 4.15 53 42 A 43 LEU HD1% A 43 LEU HA 1.0 0.0 3.78 54 42 A 23 LEU HA A 43 LEU HD1% 1.0 0.0 3.78 55 43 A 43 LEU HD1% A 43 LEU HBx 1.0 0.0 3.65 56 44 A 43 LEU H A 43 LEU HG 1.0 0.0 4.53 57 45 A 43 LEU HBy A 43 LEU HD2% 1.0 0.0 3.71 58 45 A 43 LEU HD1% A 43 LEU HBy 1.0 0.0 3.71 59 46 A 43 LEU HBx A 43 LEU HD2% 1.0 0.0 3.55 60 46 A 43 LEU HD1% A 43 LEU HBx 1.0 0.0 3.55 61 47 A 45 MET HA A 45 MET HGy 1.0 0.0 4.04 62 48 A 45 MET HA A 45 MET HGx 1.0 0.0 4.11 63 49 A 47 LEU H A 46 ARG HB3 1.0 0.0 4.29 64 49 A 47 LEU H A 46 ARG HB2 1.0 0.0 4.29 65 50 A 46 ARG H A 46 ARG HB3 1.0 0.0 3.80 66 50 A 46 ARG H A 46 ARG HB2 1.0 0.0 3.80 67 51 A 46 ARG H A 46 ARG HGx 1.0 0.0 4.29 68 52 A 46 ARG HA A 46 ARG HGy 1.0 0.0 3.94 69 53 A 46 ARG HGx A 46 ARG HA 1.0 0.0 3.78 70 54 A 46 ARG HA A 49 ALA HB% 1.0 0.0 4.44 71 55 A 46 ARG HD2 A 46 ARG HB3 1.0 0.0 3.94 72 55 A 46 ARG HD2 A 46 ARG HB2 1.0 0.0 3.94 73 56 A 47 LEU HA A 46 ARG HB3 1.0 0.0 4.57 74 56 A 47 LEU HA A 50 ARG HBy 1.0 0.0 4.57 75 56 A 47 LEU HA A 46 ARG HB2 1.0 0.0 4.57 76 57 A 47 LEU HA A 47 LEU HDy% 1.0 0.0 3.51 77 58 A 47 LEU HDy% A 47 LEU HBy 1.0 0.0 4.11 78 59 A 47 LEU HBy A 64 LEU HD1% 1.0 0.0 4.11 79 59 A 47 LEU HBy A 47 LEU HDx% 1.0 0.0 4.11 80 60 A 47 LEU HBy A 47 LEU HDx% 1.0 0.0 3.67 81 61 A 47 LEU HDx% A 64 LEU HDy% 1.0 0.0 3.88 82 62 A 64 LEU HDy% A 51 ILE HD1% 1.0 0.0 3.74 83 63 A 47 LEU HDx% A 44 ALA HB% 1.0 0.0 4.32 84 64 A 47 LEU HDy% A 47 LEU HBx 1.0 0.0 3.20 85 65 A 64 LEU HDy% A 64 LEU H 1.0 0.0 4.51 86 66 A 51 ILE HB A 52 ARG H 1.0 0.0 4.63 87 67 A 48 ILE H A 48 ILE HG1x 1.0 0.0 4.51 88 68 A 45 MET HA A 48 ILE HB 1.0 0.0 4.14 89 69 A 48 ILE HG1x A 48 ILE HA 1.0 0.0 3.99 90 69 A 47 LEU HG A 48 ILE HA 1.0 0.0 3.99 91 70 A 50 ARG HBx A 50 ARG HDx 1.0 0.0 4.09 92 71 A 50 ARG HDx A 22 ILE HD1% 1.0 0.0 5.32 93 72 A 50 ARG HDx A 50 ARG HA 1.0 0.0 4.42 94 73 A 63 GLN HBx A 59 LEU HDy% 1.0 0.0 3.99 95 73 A 59 LEU HDx% A 63 GLN HBx 1.0 0.0 3.99 96 74 A 50 ARG HA A 50 ARG HDy 1.0 0.0 4.35 97 75 A 63 GLN HBx A 73 VAL HGx% 1.0 0.0 4.28 98 76 A 51 ILE H A 51 ILE HG1x 1.0 0.0 4.51 99 77 A 51 ILE H A 51 ILE HG1y 1.0 0.0 4.37 100 78 A 50 ARG HBy A 51 ILE HA 1.0 0.0 4.32 101 79 A 51 ILE HA A 51 ILE HG2% 1.0 0.0 3.43 102 80 A 51 ILE HG1x A 51 ILE HA 1.0 0.0 3.42 103 80 A 51 ILE HA A 18 LEU HDx% 1.0 0.0 3.42 104 81 A 51 ILE HG1y A 51 ILE HG2% 1.0 0.0 3.77 105 82 A 51 ILE HG1x A 55 LEU HDy% 1.0 0.0 3.93 106 82 A 51 ILE HG1x A 51 ILE HG2% 1.0 0.0 3.93 107 83 A 75 ARG HA A 75 ARG HGy 1.0 0.0 3.83 108 84 A 52 ARG HA A 52 ARG HG3 1.0 0.0 3.84 109 85 A 49 ALA HA A 52 ARG HD2 1.0 0.0 4.41 110 86 A 52 ARG HA A 52 ARG HD2 1.0 0.0 4.48 111 87 A 52 ARG HD2 A 52 ARG HBx 1.0 0.0 4.05 112 88 A 52 ARG HD2 A 52 ARG HBy 1.0 0.0 4.07 113 89 A 52 ARG HBy A 53 GLU H 1.0 0.0 3.68 114 89 A 52 ARG H A 52 ARG HBy 1.0 0.0 3.68 115 90 A 52 ARG H A 52 ARG HG2 1.0 0.0 4.72 116 91 A 52 ARG H A 52 ARG HG3 1.0 0.0 4.53 117 92 A 26 GLU HA A 26 GLU HG2 1.0 0.0 3.90 118 93 A 53 GLU HA A 53 GLU HGx 1.0 0.0 3.96 119 94 A 18 LEU HA A 21 GLU HB2 1.0 0.0 4.03 120 95 A 14 VAL HGx% A 54 GLU HBy 1.0 0.0 4.15 121 96 A 14 VAL HGx% A 54 GLU HGy 1.0 0.0 4.54 122 97 A 14 VAL HGx% A 54 GLU HBx 1.0 0.0 4.07 123 98 A 55 LEU HDy% A 55 LEU HBy 1.0 0.0 3.68 124 98 A 51 ILE HG2% A 55 LEU HBy 1.0 0.0 3.68 125 99 A 61 ILE HA A 61 ILE HG1y 1.0 0.0 4.00 126 100 A 51 ILE HD1% A 57 VAL HGy% 1.0 0.0 4.72 127 100 A 51 ILE HD1% A 57 VAL HGx% 1.0 0.0 4.72 128 101 A 58 ASP H A 57 VAL HGy% 1.0 0.0 4.10 129 101 A 57 VAL HGx% A 58 ASP H 1.0 0.0 4.10 130 102 A 63 GLN HBx A 60 PRO HD2 1.0 0.0 4.11 131 103 A 60 PRO HD2 A 59 LEU HDy% 1.0 0.0 4.18 132 103 A 59 LEU HDx% A 60 PRO HD2 1.0 0.0 4.18 133 104 A 59 LEU HBx A 59 LEU HDy% 1.0 0.0 3.64 134 104 A 59 LEU HDx% A 59 LEU HBx 1.0 0.0 3.64 135 104 A 51 ILE HD1% A 59 LEU HBx 1.0 0.0 3.64 136 105 A 51 ILE HD1% A 59 LEU HG 1.0 0.0 3.60 137 106 A 59 LEU HBy A 59 LEU HDy% 1.0 0.0 3.71 138 106 A 59 LEU HDx% A 59 LEU HBy 1.0 0.0 3.71 139 106 A 51 ILE HD1% A 59 LEU HBy 1.0 0.0 3.71 140 107 A 63 GLN HBx A 60 PRO HBy 1.0 0.0 4.30 141 108 A 60 PRO HA A 61 ILE HB 1.0 0.0 4.87 142 109 A 61 ILE HB A 48 ILE HD1% 1.0 0.0 3.96 143 110 A 62 ARG HA A 62 ARG HD3 1.0 0.0 4.17 144 110 A 62 ARG HA A 62 ARG HD2 1.0 0.0 4.17 145 111 A 62 ARG HA A 62 ARG HG2 1.0 0.0 3.99 146 111 A 63 GLN HA A 62 ARG HG2 1.0 0.0 3.99 147 111 A 62 ARG HG3 A 63 GLN HA 1.0 0.0 3.99 148 111 A 62 ARG HA A 62 ARG HG3 1.0 0.0 3.99 149 112 A 62 ARG HG3 A 62 ARG HD3 1.0 0.0 2.98 150 112 A 62 ARG HD2 A 62 ARG HG2 1.0 0.0 2.98 151 112 A 75 ARG HGx A 75 ARG HDx 1.0 0.0 2.98 152 112 A 62 ARG HG3 A 62 ARG HD2 1.0 0.0 2.98 153 112 A 62 ARG HD3 A 62 ARG HG2 1.0 0.0 2.98 154 113 A 64 LEU HD1% A 61 ILE HA 1.0 0.0 4.31 155 114 A 64 LEU HD1% A 61 ILE HG1y 1.0 0.0 4.16 156 115 A 64 LEU HD1% A 64 LEU HBy 1.0 0.0 3.90 157 116 A 64 LEU H A 64 LEU HG 1.0 0.0 4.73 158 117 A 67 SER H A 67 SER HBy 1.0 0.0 4.11 159 118 A 71 ALA HA A 74 ALA HB% 1.0 0.0 3.72 160 119 A 70 PRO HA A 73 VAL HB 1.0 0.0 4.24 161 120 A 73 VAL HGx% A 73 VAL HA 1.0 0.0 3.43 162 121 A 71 ALA HB% A 30 VAL HB 1.0 0.0 4.10 163 122 A 20 ALA HA A 25 VAL H 1.0 0.0 4.79 164 123 A 28 VAL HGx% A 20 ALA HA 1.0 0.0 4.80 165 124 A 46 ARG HDx A 46 ARG HB3 1.0 0.0 3.90 166 124 A 46 ARG HDx A 46 ARG HB2 1.0 0.0 3.90 167 125 A 27 ARG HBy A 27 ARG HD3 1.0 0.0 3.53 168 125 A 27 ARG HBy A 27 ARG HD2 1.0 0.0 3.53 169 126 A 77 LEU HA A 77 LEU HG 1.0 0.0 4.11 170 127 A 77 LEU HA A 77 LEU HDx% 1.0 0.0 4.10 171 128 A 23 LEU HDy% A 23 LEU HBy 1.0 0.0 3.39 172 129 A 77 LEU HDx% A 77 LEU HBx 1.0 0.0 3.54 173 130 A 18 LEU HDx% A 18 LEU HBx 1.0 0.0 4.00 174 131 A 21 GLU HA A 20 ALA HB% 1.0 0.0 4.61 175 132 A 66 SER H A 66 SER HB3 1.0 0.0 4.06 176 133 A 67 SER H A 66 SER HB3 1.0 0.0 4.26 177 134 A 18 LEU HA A 18 LEU HDx% 1.0 0.0 4.34 178 135 A 5 LYS HA A 5 LYS HGx 1.0 0.0 3.79 179 135 A 5 LYS HA A 5 LYS HGy 1.0 0.0 3.79 180 136 A 14 VAL HGy% A 14 VAL HA 1.0 0.0 3.24 181 136 A 11 THR HA A 14 VAL HGy% 1.0 0.0 3.24 182 137 A 15 LEU HA A 14 VAL HGy% 1.0 0.0 5.50 183 138 A 11 THR HG2% A 15 LEU HG 1.0 0.0 3.89 184 139 A 55 LEU HDy% A 11 THR HG2% 1.0 0.0 3.44 185 140 A 77 LEU HDx% A 11 THR HG2% 1.0 0.0 3.86 186 141 A 11 THR HG2% A 14 VAL H 1.0 0.0 4.82 187 142 A 14 VAL HGy% A 15 LEU H 1.0 0.0 4.61 188 143 A 12 GLU HBx A 13 LYS H 1.0 0.0 4.16 189 144 A 12 GLU HGy A 74 ALA HB% 1.0 0.0 4.29 190 145 A 13 LYS H A 13 LYS HB2 1.0 0.0 3.84 191 146 A 13 LYS H A 13 LYS HD3 1.0 0.0 4.88 192 146 A 13 LYS H A 13 LYS HD2 1.0 0.0 4.88 193 147 A 16 CYS HB3 A 13 LYS HA 1.0 0.0 4.13 194 148 A 13 LYS HE3 A 13 LYS HB3 1.0 0.0 4.15 195 148 A 13 LYS HB2 A 13 LYS HE2 1.0 0.0 4.15 196 148 A 13 LYS HE3 A 13 LYS HB2 1.0 0.0 4.15 197 148 A 13 LYS HB3 A 13 LYS HE2 1.0 0.0 4.15 198 149 A 13 LYS HD3 A 13 LYS HB2 1.0 0.0 3.68 199 149 A 13 LYS HD3 A 13 LYS HB3 1.0 0.0 3.68 200 149 A 13 LYS HD2 A 13 LYS HB2 1.0 0.0 3.68 201 150 A 14 VAL HA A 17 ALA HB% 1.0 0.0 4.03 202 150 A 14 VAL HA A 13 LYS HGy 1.0 0.0 4.03 203 151 A 14 VAL HGx% A 14 VAL HA 1.0 0.0 3.86 204 152 A 14 VAL HGy% A 13 LYS HB3 1.0 0.0 4.63 205 152 A 14 VAL HGy% A 13 LYS HB2 1.0 0.0 4.63 206 153 A 14 VAL HGy% A 17 ALA HB% 1.0 0.0 5.08 207 153 A 14 VAL HGy% A 13 LYS HGy 1.0 0.0 5.08 208 154 A 14 VAL HGy% A 55 LEU HG 1.0 0.0 5.50 209 155 A 18 LEU HDy% A 18 LEU HBy 1.0 0.0 3.27 210 156 A 18 LEU HDx% A 18 LEU HBy 1.0 0.0 3.16 211 157 A 23 LEU HBx A 23 LEU HDy% 1.0 0.0 3.74 212 158 A 69 THR HG2% A 33 ALA HA 1.0 0.0 3.28 213 159 A 28 VAL HGy% A 16 CYS HA 1.0 0.0 4.02 214 160 A 69 THR HG2% A 33 ALA HB% 1.0 0.0 3.58 215 161 A 26 GLU H A 25 VAL HA 1.0 0.0 3.42 216 162 A 26 GLU H A 26 GLU HG2 1.0 0.0 4.45 217 163 A 26 GLU H A 26 GLU HB3 1.0 0.0 3.38 218 163 A 26 GLU H A 26 GLU HB2 1.0 0.0 3.38 219 164 A 25 VAL HB A 26 GLU H 1.0 0.0 3.57 220 165 A 6 ALA H A 6 ALA HB% 1.0 0.0 3.93 221 166 A 25 VAL HGy% A 26 GLU H 1.0 0.0 4.60 222 167 A 74 ALA HB% A 12 GLU H 1.0 0.0 4.40 223 168 A 12 GLU HGx A 12 GLU H 1.0 0.0 4.07 224 169 A 12 GLU HBx A 12 GLU H 1.0 0.0 3.85 225 170 A 12 GLU H A 13 LYS HB3 1.0 0.0 5.24 226 170 A 12 GLU H A 13 LYS HB2 1.0 0.0 5.24 227 171 A 8 GLU H A 8 GLU HBy 1.0 0.0 4.17 228 172 A 8 GLU H A 7 PRO HBx 1.0 0.0 4.37 229 173 A 8 GLU H A 7 PRO HBy 1.0 0.0 3.85 230 174 A 12 GLU HGy A 12 GLU H 1.0 0.0 4.17 231 175 A 12 GLU H A 12 GLU HBy 1.0 0.0 3.70 232 176 A 12 GLU H A 10 ALA HA 1.0 0.0 4.73 233 177 A 12 GLU H A 11 THR HB 1.0 0.0 4.00 234 178 A 8 GLU H A 7 PRO HA 1.0 0.0 3.36 235 179 A 15 LEU HD1% A 13 LYS H 1.0 0.0 4.95 236 180 A 14 VAL HGx% A 14 VAL H 1.0 0.0 3.95 237 181 A 15 LEU HD1% A 15 LEU H 1.0 0.0 3.27 238 182 A 14 VAL HGx% A 15 LEU H 1.0 0.0 3.55 239 183 A 15 LEU HD1% A 16 CYS H 1.0 0.0 4.08 240 184 A 22 ILE HD1% A 23 LEU H 1.0 0.0 4.65 241 185 A 28 VAL HGy% A 17 ALA H 1.0 0.0 4.77 242 185 A 18 LEU HDy% A 17 ALA H 1.0 0.0 4.77 243 186 A 18 LEU HDy% A 18 LEU H 1.0 0.0 3.54 244 187 A 18 LEU HDx% A 18 LEU H 1.0 0.0 3.96 245 188 A 14 VAL HGy% A 14 VAL H 1.0 0.0 3.13 246 189 A 15 LEU HBx A 15 LEU H 1.0 0.0 3.74 247 189 A 14 VAL HGy% A 15 LEU H 1.0 0.0 3.74 248 190 A 15 LEU HBx A 16 CYS H 1.0 0.0 4.16 249 191 A 18 LEU HBx A 18 LEU H 1.0 0.0 3.81 250 192 A 17 ALA HB% A 18 LEU H 1.0 0.0 3.56 251 193 A 17 ALA HB% A 17 ALA H 1.0 0.0 2.88 252 194 A 16 CYS H A 70 PRO HBx 1.0 0.0 4.48 253 194 A 17 ALA HB% A 16 CYS H 1.0 0.0 4.48 254 195 A 14 VAL H A 13 LYS HGy 1.0 0.0 4.33 255 196 A 13 LYS H A 13 LYS HGy 1.0 0.0 3.46 256 197 A 13 LYS HGx A 13 LYS H 1.0 0.0 4.18 257 198 A 13 LYS H A 13 LYS HB3 1.0 0.0 3.14 258 198 A 13 LYS H A 13 LYS HB2 1.0 0.0 3.14 259 199 A 14 VAL H A 13 LYS HB3 1.0 0.0 3.55 260 199 A 14 VAL H A 13 LYS HB2 1.0 0.0 3.55 261 200 A 15 LEU H A 15 LEU HBy 1.0 0.0 3.60 262 201 A 15 LEU HG A 14 VAL H 1.0 0.0 4.42 263 202 A 16 CYS H A 15 LEU HBy 1.0 0.0 3.98 264 203 A 16 CYS H A 70 PRO HBy 1.0 0.0 4.90 265 204 A 18 LEU HBy A 18 LEU H 1.0 0.0 3.12 266 205 A 13 LYS H A 12 GLU HBy 1.0 0.0 3.88 267 206 A 13 LYS H A 14 VAL HB 1.0 0.0 4.96 268 206 A 12 GLU HGy A 13 LYS H 1.0 0.0 4.96 269 207 A 14 VAL H A 14 VAL HB 1.0 0.0 3.19 270 208 A 15 LEU H A 14 VAL HB 1.0 0.0 3.66 271 209 A 22 ILE H A 21 GLU HB3 1.0 0.0 3.48 272 209 A 21 GLU HB2 A 22 ILE H 1.0 0.0 3.48 273 210 A 16 CYS HB3 A 16 CYS H 1.0 0.0 3.54 274 211 A 12 GLU HA A 15 LEU H 1.0 0.0 4.32 275 212 A 14 VAL HA A 17 ALA H 1.0 0.0 3.99 276 213 A 13 LYS HA A 16 CYS H 1.0 0.0 4.15 277 214 A 14 VAL HA A 16 CYS H 1.0 0.0 4.90 278 215 A 15 LEU HA A 18 LEU H 1.0 0.0 4.00 279 216 A 15 LEU HA A 17 ALA H 1.0 0.0 4.46 280 217 A 13 LYS HA A 17 ALA H 1.0 0.0 4.60 281 218 A 13 LYS H A 10 ALA HA 1.0 0.0 4.18 282 219 A 16 CYS HB3 A 17 ALA H 1.0 0.0 3.41 283 220 A 28 VAL HGy% A 19 TYR H 1.0 0.0 4.15 284 220 A 18 LEU HDy% A 19 TYR H 1.0 0.0 4.15 285 221 A 23 LEU HDy% A 19 TYR H 1.0 0.0 4.93 286 221 A 18 LEU HDx% A 19 TYR H 1.0 0.0 4.93 287 222 A 17 ALA HB% A 19 TYR H 1.0 0.0 4.73 288 223 A 20 ALA HB% A 19 TYR H 1.0 0.0 5.34 289 224 A 28 VAL HGx% A 19 TYR H 1.0 0.0 4.41 290 225 A 18 LEU HBy A 19 TYR H 1.0 0.0 3.91 291 226 A 19 TYR HBx A 19 TYR H 1.0 0.0 4.00 292 227 A 16 CYS HA A 19 TYR H 1.0 0.0 4.51 293 228 A 19 TYR HBy A 19 TYR H 1.0 0.0 3.66 294 229 A 11 THR HA A 13 LYS H 1.0 0.0 4.54 295 230 A 14 VAL HGy% A 13 LYS H 1.0 0.0 4.53 296 231 A 20 ALA H A 17 ALA HA 1.0 0.0 3.91 297 232 A 19 TYR HBy A 20 ALA H 1.0 0.0 3.69 298 233 A 18 LEU HA A 21 GLU H 1.0 0.0 3.63 299 234 A 18 LEU HA A 22 ILE H 1.0 0.0 4.44 300 235 A 23 LEU H A 22 ILE HB 1.0 0.0 3.93 301 236 A 23 LEU HBy A 23 LEU H 1.0 0.0 3.65 302 237 A 23 LEU H A 23 LEU HG 1.0 0.0 3.54 303 238 A 23 LEU HBx A 23 LEU H 1.0 0.0 3.70 304 239 A 21 GLU H A 21 GLU HGy 1.0 0.0 3.84 305 240 A 21 GLU H A 21 GLU HB3 1.0 0.0 2.97 306 240 A 21 GLU H A 21 GLU HB2 1.0 0.0 2.97 307 241 A 21 GLU H A 22 ILE HB 1.0 0.0 4.92 308 242 A 21 GLU H A 21 GLU HGx 1.0 0.0 3.96 309 243 A 21 GLU H A 20 ALA HB% 1.0 0.0 3.33 310 244 A 20 ALA HB% A 20 ALA H 1.0 0.0 3.01 311 245 A 20 ALA H A 28 VAL HB 1.0 0.0 4.44 312 246 A 22 ILE H A 21 GLU HGy 1.0 0.0 4.64 313 247 A 22 ILE H A 22 ILE HB 1.0 0.0 3.26 314 248 A 63 GLN HBx A 62 ARG H 1.0 0.0 4.85 315 248 A 21 GLU HGx A 22 ILE H 1.0 0.0 4.85 316 249 A 22 ILE H A 22 ILE HG1y 1.0 0.0 3.60 317 250 A 22 ILE H A 23 LEU HG 1.0 0.0 4.63 318 251 A 22 ILE H A 22 ILE HG1x 1.0 0.0 3.83 319 252 A 23 LEU H A 22 ILE HG2% 1.0 0.0 4.33 320 253 A 22 ILE H A 22 ILE HG2% 1.0 0.0 4.05 321 254 A 21 GLU H A 28 VAL HGy% 1.0 0.0 4.55 322 255 A 21 GLU H A 25 VAL HGy% 1.0 0.0 5.41 323 256 A 28 VAL HGy% A 20 ALA H 1.0 0.0 3.60 324 257 A 25 VAL HGy% A 20 ALA H 1.0 0.0 4.41 325 257 A 23 LEU HDy% A 20 ALA H 1.0 0.0 4.41 326 258 A 22 ILE HD1% A 22 ILE H 1.0 0.0 3.75 327 259 A 23 LEU HDy% A 23 LEU H 1.0 0.0 3.85 328 260 A 23 LEU HDx% A 23 LEU H 1.0 0.0 4.28 329 261 A 28 VAL H A 27 ARG HA 1.0 0.0 2.96 330 262 A 27 ARG H A 25 VAL HA 1.0 0.0 5.11 331 263 A 24 GLY H A 24 GLY HA2 1.0 0.0 2.78 332 263 A 24 GLY H A 24 GLY HA3 1.0 0.0 2.78 333 264 A 25 VAL H A 24 GLY HA2 1.0 0.0 3.04 334 264 A 25 VAL H A 24 GLY HA3 1.0 0.0 3.04 335 264 A 20 ALA HA A 25 VAL H 1.0 0.0 3.04 336 265 A 28 VAL H A 28 VAL HB 1.0 0.0 3.57 337 266 A 28 VAL H A 27 ARG HBy 1.0 0.0 4.01 338 267 A 28 VAL H A 27 ARG HGx 1.0 0.0 4.24 339 267 A 20 ALA HB% A 28 VAL H 1.0 0.0 4.24 340 268 A 25 VAL HB A 27 ARG H 1.0 0.0 3.46 341 269 A 27 ARG H A 26 GLU HB3 1.0 0.0 3.26 342 269 A 27 ARG H A 26 GLU HB2 1.0 0.0 3.26 343 270 A 27 ARG H A 26 GLU HG2 1.0 0.0 4.53 344 271 A 25 VAL HGx% A 25 VAL H 1.0 0.0 3.51 345 272 A 25 VAL HGy% A 25 VAL H 1.0 0.0 3.24 346 273 A 25 VAL HGy% A 27 ARG H 1.0 0.0 3.93 347 274 A 28 VAL HGy% A 28 VAL H 1.0 0.0 3.73 348 275 A 25 VAL HGx% A 24 GLY H 1.0 0.0 4.42 349 276 A 25 VAL HGy% A 24 GLY H 1.0 0.0 4.03 350 277 A 27 ARG H A 27 ARG HGx 1.0 0.0 4.48 351 277 A 27 ARG H A 27 ARG HGy 1.0 0.0 4.48 352 277 A 27 ARG H A 20 ALA HB% 1.0 0.0 4.48 353 278 A 20 ALA HB% A 24 GLY H 1.0 0.0 4.70 354 279 A 23 LEU HBy A 24 GLY H 1.0 0.0 4.19 355 280 A 23 LEU HG A 24 GLY H 1.0 0.0 4.67 356 281 A 23 LEU HBx A 24 GLY H 1.0 0.0 4.33 357 282 A 25 VAL HB A 25 VAL H 1.0 0.0 4.07 358 283 A 23 LEU HBy A 25 VAL H 1.0 0.0 4.43 359 284 A 20 ALA HB% A 25 VAL H 1.0 0.0 3.98 360 285 A 29 GLY H A 28 VAL HA 1.0 0.0 3.17 361 286 A 30 VAL H A 29 GLY HAy 1.0 0.0 3.22 362 287 A 31 ASP H A 29 GLY HAy 1.0 0.0 4.63 363 288 A 29 GLY HAy A 32 ASP H 1.0 0.0 5.05 364 289 A 32 ASP HA A 33 ALA H 1.0 0.0 3.45 365 290 A 33 ALA HB% A 33 ALA H 1.0 0.0 3.81 366 291 A 33 ALA HB% A 34 PHE H 1.0 0.0 4.11 367 292 A 69 THR HG2% A 34 PHE H 1.0 0.0 4.24 368 293 A 69 THR HG2% A 32 ASP H 1.0 0.0 3.94 369 293 A 28 VAL HGx% A 32 ASP H 1.0 0.0 3.94 370 294 A 32 ASP H A 30 VAL HG2% 1.0 0.0 4.37 371 294 A 32 ASP H A 30 VAL HG1% 1.0 0.0 4.37 372 295 A 32 ASP H A 37 LEU HDy% 1.0 0.0 5.50 373 296 A 31 ASP H A 69 THR HG2% 1.0 0.0 5.28 374 297 A 31 ASP H A 30 VAL HG2% 1.0 0.0 3.42 375 297 A 31 ASP H A 30 VAL HG1% 1.0 0.0 3.42 376 298 A 30 VAL H A 30 VAL HG2% 1.0 0.0 2.94 377 298 A 30 VAL H A 30 VAL HG1% 1.0 0.0 2.94 378 299 A 28 VAL HGx% A 29 GLY H 1.0 0.0 3.80 379 300 A 29 GLY H A 28 VAL HB 1.0 0.0 4.63 380 301 A 30 VAL H A 30 VAL HB 1.0 0.0 3.78 381 302 A 32 ASP HBx A 29 GLY H 1.0 0.0 4.66 382 303 A 31 ASP H A 31 ASP HBx 1.0 0.0 3.40 383 304 A 32 ASP HBx A 32 ASP H 1.0 0.0 3.42 384 305 A 34 PHE H A 68 PRO HBy 1.0 0.0 4.86 385 306 A 34 PHE H A 68 PRO HBx 1.0 0.0 4.06 386 307 A 32 ASP HBy A 29 GLY H 1.0 0.0 4.20 387 308 A 31 ASP H A 31 ASP HBy 1.0 0.0 3.89 388 309 A 32 ASP HBy A 32 ASP H 1.0 0.0 3.24 389 310 A 34 PHE H A 34 PHE HBy 1.0 0.0 3.81 390 311 A 30 VAL H A 29 GLY HAx 1.0 0.0 3.33 391 312 A 31 ASP H A 29 GLY HAx 1.0 0.0 4.24 392 313 A 32 ASP H A 29 GLY HAx 1.0 0.0 4.35 393 314 A 32 ASP H A 70 PRO HDy 1.0 0.0 3.77 394 314 A 30 VAL HA A 32 ASP H 1.0 0.0 3.77 395 315 A 44 ALA HB% A 44 ALA H 1.0 0.0 3.39 396 315 A 43 LEU HBx A 44 ALA H 1.0 0.0 3.39 397 316 A 23 LEU HDx% A 39 GLY H 1.0 0.0 4.42 398 317 A 37 LEU HDy% A 37 LEU H 1.0 0.0 4.69 399 317 A 37 LEU H A 37 LEU HDx% 1.0 0.0 4.69 400 318 A 37 LEU H A 37 LEU HG 1.0 0.0 4.16 401 319 A 37 LEU H A 36 ASP HB3 1.0 0.0 4.57 402 319 A 37 LEU H A 36 ASP HB2 1.0 0.0 4.57 403 320 A 45 MET HA A 48 ILE H 1.0 0.0 4.02 404 321 A 47 LEU H A 44 ALA HA 1.0 0.0 4.01 405 322 A 47 LEU H A 46 ARG HD2 1.0 0.0 5.09 406 323 A 45 MET HGy A 45 MET H 1.0 0.0 3.79 407 324 A 45 MET HGx A 45 MET H 1.0 0.0 3.83 408 325 A 48 ILE H A 48 ILE HB 1.0 0.0 3.29 409 326 A 47 LEU HBy A 48 ILE H 1.0 0.0 3.51 410 327 A 47 LEU H A 46 ARG HB2 1.0 0.0 3.43 411 327 A 47 LEU H A 46 ARG HB3 1.0 0.0 3.43 412 328 A 47 LEU H A 47 LEU HBy 1.0 0.0 3.41 413 329 A 46 ARG H A 45 MET HBy 1.0 0.0 4.00 414 330 A 46 ARG H A 46 ARG HB2 1.0 0.0 3.21 415 330 A 46 ARG H A 46 ARG HB3 1.0 0.0 3.21 416 331 A 46 ARG H A 46 ARG HGy 1.0 0.0 3.91 417 332 A 43 LEU H A 43 LEU HG 1.0 0.0 3.56 418 332 A 43 LEU H A 43 LEU HBy 1.0 0.0 3.56 419 333 A 45 MET H A 45 MET HBy 1.0 0.0 3.33 420 334 A 45 MET H A 45 MET HBx 1.0 0.0 3.66 421 335 A 47 LEU H A 46 ARG HGx 1.0 0.0 5.28 422 336 A 43 LEU HBx A 43 LEU H 1.0 0.0 3.28 423 336 A 43 LEU H A 42 ALA HB% 1.0 0.0 3.28 424 337 A 44 ALA HB% A 45 MET H 1.0 0.0 3.34 425 338 A 46 ARG H A 44 ALA HB% 1.0 0.0 4.72 426 339 A 48 ILE H A 48 ILE HG1y 1.0 0.0 3.72 427 340 A 48 ILE H A 48 ILE HG1x 1.0 0.0 3.88 428 340 A 48 ILE H A 47 LEU HG 1.0 0.0 3.88 429 341 A 47 LEU H A 44 ALA HB% 1.0 0.0 4.76 430 342 A 47 LEU H A 47 LEU HBx 1.0 0.0 3.55 431 343 A 47 LEU H A 47 LEU HG 1.0 0.0 4.53 432 344 A 47 LEU HBx A 48 ILE H 1.0 0.0 3.88 433 345 A 48 ILE H A 48 ILE HG2% 1.0 0.0 3.78 434 346 A 47 LEU H A 22 ILE HG2% 1.0 0.0 4.02 435 347 A 47 LEU H A 22 ILE HD1% 1.0 0.0 3.97 436 348 A 48 ILE H A 48 ILE HD1% 1.0 0.0 4.04 437 349 A 46 ARG H A 22 ILE HD1% 1.0 0.0 5.15 438 350 A 64 LEU HD1% A 48 ILE H 1.0 0.0 4.47 439 350 A 47 LEU HDx% A 48 ILE H 1.0 0.0 4.47 440 351 A 47 LEU H A 47 LEU HDx% 1.0 0.0 4.24 441 352 A 50 ARG HA A 54 GLU H 1.0 0.0 4.98 442 353 A 53 GLU H A 54 GLU HA 1.0 0.0 4.97 443 354 A 50 ARG HA A 53 GLU H 1.0 0.0 3.96 444 355 A 52 ARG H A 50 ARG HA 1.0 0.0 4.01 445 355 A 52 ARG H A 49 ALA HA 1.0 0.0 4.01 446 356 A 52 ARG H A 56 GLY HA3 1.0 0.0 5.44 447 356 A 52 ARG H A 56 GLY HA2 1.0 0.0 5.44 448 356 A 52 ARG H A 53 GLU HA 1.0 0.0 5.44 449 357 A 47 LEU HA A 50 ARG H 1.0 0.0 4.22 450 358 A 47 LEU HA A 51 ILE H 1.0 0.0 4.77 451 359 A 48 ILE HA A 51 ILE H 1.0 0.0 4.16 452 360 A 52 ARG H A 48 ILE HA 1.0 0.0 4.90 453 361 A 51 ILE HA A 54 GLU H 1.0 0.0 4.39 454 362 A 50 ARG HDx A 50 ARG H 1.0 0.0 4.63 455 363 A 52 ARG H A 52 ARG HD2 1.0 0.0 4.77 456 364 A 52 ARG HD2 A 53 GLU H 1.0 0.0 5.41 457 365 A 54 GLU H A 53 GLU HBy 1.0 0.0 3.35 458 366 A 54 GLU HBy A 54 GLU H 1.0 0.0 3.62 459 367 A 52 ARG HBx A 54 GLU H 1.0 0.0 5.14 460 368 A 50 ARG HBy A 50 ARG H 1.0 0.0 3.58 461 369 A 50 ARG HBx A 50 ARG H 1.0 0.0 3.25 462 370 A 50 ARG HBy A 51 ILE H 1.0 0.0 3.57 463 371 A 51 ILE H A 51 ILE HG1y 1.0 0.0 3.33 464 371 A 50 ARG HBx A 51 ILE H 1.0 0.0 3.33 465 372 A 52 ARG H A 52 ARG HBy 1.0 0.0 3.58 466 373 A 53 GLU H A 53 GLU HGy 1.0 0.0 3.46 467 374 A 53 GLU H A 53 GLU HBy 1.0 0.0 3.16 468 375 A 53 GLU H A 53 GLU HBx 1.0 0.0 3.68 469 375 A 52 ARG HBy A 53 GLU H 1.0 0.0 3.68 470 376 A 52 ARG HBx A 53 GLU H 1.0 0.0 3.60 471 377 A 54 GLU HBx A 54 GLU H 1.0 0.0 3.54 472 378 A 49 ALA HB% A 49 ALA H 1.0 0.0 2.95 473 379 A 48 ILE HG1x A 49 ALA H 1.0 0.0 5.34 474 379 A 47 LEU HG A 49 ALA H 1.0 0.0 5.34 475 380 A 49 ALA HB% A 50 ARG H 1.0 0.0 3.31 476 381 A 49 ALA HB% A 51 ILE H 1.0 0.0 4.60 477 382 A 47 LEU HG A 51 ILE H 1.0 0.0 5.19 478 383 A 52 ARG H A 52 ARG HG3 1.0 0.0 3.83 479 383 A 52 ARG H A 52 ARG HG2 1.0 0.0 3.83 480 384 A 53 GLU H A 52 ARG HG3 1.0 0.0 4.58 481 384 A 53 GLU H A 52 ARG HG2 1.0 0.0 4.58 482 385 A 55 LEU HG A 54 GLU H 1.0 0.0 4.91 483 386 A 48 ILE HG2% A 49 ALA H 1.0 0.0 4.02 484 387 A 48 ILE HD1% A 49 ALA H 1.0 0.0 4.60 485 388 A 48 ILE HG2% A 50 ARG H 1.0 0.0 5.13 486 389 A 22 ILE HD1% A 50 ARG H 1.0 0.0 4.53 487 390 A 51 ILE H A 51 ILE HG2% 1.0 0.0 3.86 488 391 A 51 ILE HD1% A 51 ILE H 1.0 0.0 3.59 489 391 A 51 ILE H A 51 ILE HG1x 1.0 0.0 3.59 490 392 A 51 ILE HD1% A 52 ARG H 1.0 0.0 4.98 491 392 A 52 ARG H A 51 ILE HG1x 1.0 0.0 4.98 492 393 A 52 ARG H A 51 ILE HG2% 1.0 0.0 3.87 493 394 A 51 ILE HG2% A 53 GLU H 1.0 0.0 5.38 494 395 A 51 ILE HG2% A 54 GLU H 1.0 0.0 4.48 495 396 A 18 LEU HDx% A 54 GLU H 1.0 0.0 4.49 496 397 A 55 LEU H A 55 LEU HDx% 1.0 0.0 4.29 497 398 A 51 ILE HG2% A 55 LEU H 1.0 0.0 3.73 498 399 A 55 LEU H A 57 VAL HGy% 1.0 0.0 4.63 499 400 A 55 LEU HDx% A 56 GLY H 1.0 0.0 4.69 500 401 A 51 ILE HG2% A 56 GLY H 1.0 0.0 4.44 501 402 A 55 LEU HDx% A 57 VAL H 1.0 0.0 5.50 502 403 A 57 VAL HGx% A 57 VAL H 1.0 0.0 3.17 503 403 A 57 VAL H A 57 VAL HGy% 1.0 0.0 3.17 504 404 A 57 VAL HGx% A 58 ASP H 1.0 0.0 3.90 505 404 A 58 ASP H A 57 VAL HGy% 1.0 0.0 3.90 506 405 A 59 LEU H A 59 LEU HBx 1.0 0.0 3.60 507 406 A 59 LEU H A 51 ILE HG2% 1.0 0.0 4.61 508 407 A 59 LEU H A 59 LEU HDx% 1.0 0.0 4.42 509 407 A 59 LEU H A 59 LEU HDy% 1.0 0.0 4.42 510 407 A 59 LEU H A 51 ILE HD1% 1.0 0.0 4.42 511 408 A 59 LEU H A 57 VAL HGy% 1.0 0.0 4.26 512 409 A 54 GLU HBx A 55 LEU H 1.0 0.0 4.19 513 410 A 55 LEU H A 55 LEU HBx 1.0 0.0 3.88 514 411 A 55 LEU HG A 55 LEU H 1.0 0.0 3.98 515 412 A 55 LEU HG A 56 GLY H 1.0 0.0 4.54 516 413 A 57 VAL H A 57 VAL HB 1.0 0.0 3.95 517 414 A 57 VAL H A 52 ARG HG3 1.0 0.0 4.24 518 414 A 52 ARG HG2 A 57 VAL H 1.0 0.0 4.24 519 415 A 58 ASP H A 57 VAL HB 1.0 0.0 4.05 520 416 A 59 LEU H A 59 LEU HBy 1.0 0.0 3.76 521 417 A 59 LEU H A 59 LEU HG 1.0 0.0 4.69 522 418 A 54 GLU HGx A 55 LEU H 1.0 0.0 4.87 523 419 A 54 GLU HBy A 55 LEU H 1.0 0.0 4.26 524 420 A 55 LEU HBy A 55 LEU H 1.0 0.0 3.70 525 421 A 55 LEU HBy A 56 GLY H 1.0 0.0 4.41 526 422 A 55 LEU HBy A 57 VAL H 1.0 0.0 3.97 527 423 A 58 ASP H A 58 ASP HBx 1.0 0.0 3.71 528 424 A 59 LEU H A 58 ASP HBx 1.0 0.0 4.62 529 425 A 58 ASP HBy A 58 ASP H 1.0 0.0 3.85 530 426 A 52 ARG HA A 55 LEU H 1.0 0.0 4.90 531 427 A 55 LEU H A 56 GLY HA3 1.0 0.0 4.36 532 427 A 56 GLY HA2 A 55 LEU H 1.0 0.0 4.36 533 428 A 52 ARG HA A 56 GLY H 1.0 0.0 3.71 534 429 A 56 GLY H A 56 GLY HA3 1.0 0.0 2.91 535 429 A 56 GLY HA2 A 56 GLY H 1.0 0.0 2.91 536 430 A 52 ARG HA A 57 VAL H 1.0 0.0 3.20 537 431 A 57 VAL H A 56 GLY HA3 1.0 0.0 3.28 538 431 A 56 GLY HA2 A 57 VAL H 1.0 0.0 3.28 539 432 A 54 GLU H A 55 LEU HA 1.0 0.0 5.29 540 433 A 57 VAL H A 58 ASP HA 1.0 0.0 5.25 541 433 A 57 VAL H A 55 LEU HA 1.0 0.0 5.25 542 434 A 59 LEU H A 58 ASP HA 1.0 0.0 3.28 543 435 A 64 LEU HD1% A 64 LEU H 1.0 0.0 4.61 544 436 A 64 LEU HD1% A 65 PHE H 1.0 0.0 4.65 545 437 A 48 ILE HD1% A 61 ILE H 1.0 0.0 4.47 546 438 A 62 ARG H A 61 ILE HG2% 1.0 0.0 3.25 547 439 A 64 LEU H A 59 LEU HDx% 1.0 0.0 5.35 548 439 A 64 LEU H A 59 LEU HDy% 1.0 0.0 5.35 549 440 A 64 LEU H A 64 LEU HG 1.0 0.0 3.30 550 440 A 64 LEU H A 64 LEU HBx 1.0 0.0 3.30 551 441 A 65 PHE H A 64 LEU HBx 1.0 0.0 3.60 552 442 A 64 LEU H A 64 LEU HBy 1.0 0.0 3.41 553 443 A 64 LEU H A 62 ARG HBy 1.0 0.0 5.47 554 444 A 61 ILE HG1y A 61 ILE H 1.0 0.0 4.75 555 445 A 62 ARG H A 62 ARG HG2 1.0 0.0 3.54 556 445 A 62 ARG HG3 A 62 ARG H 1.0 0.0 3.54 557 445 A 62 ARG H A 62 ARG HBx 1.0 0.0 3.54 558 446 A 63 GLN HBx A 63 GLN H 1.0 0.0 3.34 559 447 A 62 ARG HBy A 63 GLN H 1.0 0.0 3.51 560 448 A 63 GLN H A 62 ARG HG2 1.0 0.0 4.14 561 448 A 62 ARG HG3 A 63 GLN H 1.0 0.0 4.14 562 448 A 62 ARG HBx A 63 GLN H 1.0 0.0 4.14 563 449 A 63 GLN H A 63 GLN HBy 1.0 0.0 3.67 564 450 A 64 LEU H A 63 GLN HBy 1.0 0.0 4.24 565 451 A 64 LEU H A 63 GLN HBx 1.0 0.0 3.96 566 452 A 65 PHE H A 65 PHE HBy 1.0 0.0 3.68 567 453 A 65 PHE H A 65 PHE HBx 1.0 0.0 3.29 568 454 A 62 ARG H A 62 ARG HD3 1.0 0.0 4.97 569 454 A 62 ARG H A 62 ARG HD2 1.0 0.0 4.97 570 455 A 64 LEU H A 61 ILE HA 1.0 0.0 4.12 571 456 A 61 ILE HA A 65 PHE H 1.0 0.0 5.36 572 457 A 63 GLN H A 64 LEU HA 1.0 0.0 5.37 573 458 A 60 PRO HA A 62 ARG H 1.0 0.0 4.66 574 459 A 60 PRO HA A 63 GLN H 1.0 0.0 4.60 575 460 A 66 SER H A 66 SER HB3 1.0 0.0 3.26 576 460 A 66 SER H A 66 SER HB2 1.0 0.0 3.26 577 461 A 67 SER H A 68 PRO HDy 1.0 0.0 3.68 578 461 A 67 SER H A 67 SER HBy 1.0 0.0 3.68 579 462 A 67 SER H A 66 SER HB3 1.0 0.0 3.49 580 462 A 67 SER H A 66 SER HB2 1.0 0.0 3.49 581 463 A 67 SER H A 65 PHE HBy 1.0 0.0 5.50 582 464 A 66 SER H A 65 PHE HBy 1.0 0.0 4.20 583 465 A 66 SER H A 65 PHE HBx 1.0 0.0 4.14 584 466 A 71 ALA H A 70 PRO HG2 1.0 0.0 4.02 585 466 A 71 ALA H A 70 PRO HG3 1.0 0.0 4.02 586 466 A 30 VAL HB A 71 ALA H 1.0 0.0 4.02 587 467 A 70 PRO HBy A 71 ALA H 1.0 0.0 4.26 588 468 A 70 PRO HBx A 71 ALA H 1.0 0.0 4.13 589 469 A 71 ALA HB% A 71 ALA H 1.0 0.0 3.26 590 470 A 74 ALA HB% A 71 ALA H 1.0 0.0 4.77 591 471 A 69 THR H A 73 VAL HGy% 1.0 0.0 5.00 592 472 A 69 THR HG2% A 69 THR H 1.0 0.0 3.41 593 473 A 73 VAL HGx% A 73 VAL H 1.0 0.0 3.89 594 474 A 15 LEU HD1% A 74 ALA H 1.0 0.0 3.89 595 475 A 77 LEU HDx% A 74 ALA H 1.0 0.0 4.31 596 476 A 73 VAL HGx% A 76 ALA H 1.0 0.0 4.98 597 477 A 77 LEU HDx% A 76 ALA H 1.0 0.0 5.03 598 478 A 77 LEU H A 77 LEU HDx% 1.0 0.0 3.50 599 479 A 69 THR HB A 72 GLY H 1.0 0.0 5.14 600 480 A 73 VAL H A 69 THR HB 1.0 0.0 5.02 601 481 A 75 ARG H A 76 ALA HA 1.0 0.0 5.34 602 482 A 71 ALA HA A 74 ALA H 1.0 0.0 4.22 603 483 A 71 ALA HA A 73 VAL H 1.0 0.0 5.27 604 484 A 70 PRO HA A 73 VAL H 1.0 0.0 4.16 605 485 A 75 ARG H A 73 VAL HA 1.0 0.0 4.83 606 486 A 74 ALA HA A 76 ALA H 1.0 0.0 5.06 607 487 A 73 VAL HA A 76 ALA H 1.0 0.0 3.85 608 488 A 74 ALA HA A 77 LEU H 1.0 0.0 4.20 609 489 A 77 LEU H A 73 VAL HA 1.0 0.0 4.53 610 490 A 73 VAL H A 76 ALA HB% 1.0 0.0 4.50 611 490 A 74 ALA HB% A 73 VAL H 1.0 0.0 4.50 612 491 A 75 ARG HGy A 74 ALA H 1.0 0.0 4.83 613 492 A 74 ALA HB% A 74 ALA H 1.0 0.0 3.18 614 493 A 75 ARG H A 75 ARG HGx 1.0 0.0 4.03 615 494 A 75 ARG H A 75 ARG HBy 1.0 0.0 3.32 616 495 A 75 ARG H A 75 ARG HGy 1.0 0.0 3.17 617 496 A 75 ARG H A 74 ALA HB% 1.0 0.0 3.37 618 497 A 75 ARG HBy A 76 ALA H 1.0 0.0 4.01 619 498 A 75 ARG HGy A 76 ALA H 1.0 0.0 4.12 620 498 A 76 ALA H A 75 ARG HBx 1.0 0.0 4.12 621 499 A 76 ALA H A 76 ALA HB% 1.0 0.0 2.88 622 500 A 77 LEU H A 77 LEU HG 1.0 0.0 3.40 623 501 A 77 LEU H A 77 LEU HBy 1.0 0.0 3.63 624 502 A 71 ALA HB% A 72 GLY H 1.0 0.0 3.66 625 503 A 73 VAL HGy% A 72 GLY H 1.0 0.0 4.47 626 504 A 69 THR HG2% A 72 GLY H 1.0 0.0 5.03 627 505 A 73 VAL HGy% A 73 VAL H 1.0 0.0 3.39 628 506 A 71 ALA HB% A 74 ALA H 1.0 0.0 4.95 629 507 A 73 VAL HGy% A 74 ALA H 1.0 0.0 4.00 630 508 A 73 VAL HGy% A 76 ALA H 1.0 0.0 5.39 631 509 A 77 LEU HDy% A 77 LEU H 1.0 0.0 4.34 632 509 A 77 LEU H A 73 VAL HGx% 1.0 0.0 4.34 633 510 A 77 LEU HDx% A 78 ALA H 1.0 0.0 3.91 634 511 A 78 ALA H A 78 ALA HB% 1.0 0.0 2.83 635 512 A 79 ALA H A 79 ALA HB% 1.0 0.0 3.12 636 513 A 77 LEU HBy A 78 ALA H 1.0 0.0 4.15 637 514 A 77 LEU HG A 78 ALA H 1.0 0.0 3.83 638 515 A 75 ARG HA A 78 ALA H 1.0 0.0 3.56 639 516 A 77 LEU HA A 79 ALA H 1.0 0.0 4.62 640 517 A 91 LYS H A 91 LYS HD3 1.0 0.0 4.13 641 518 A 91 LYS H A 91 LYS HG2 1.0 0.0 5.18 642 519 A 27 ARG H A 27 ARG HBx 1.0 0.0 3.78 643 520 A 27 ARG H A 27 ARG HBy 1.0 0.0 4.00 644 521 A 62 ARG H A 63 GLN H 1.0 0.0 3.75 645 522 A 11 THR HG2% A 15 LEU H 1.0 0.0 4.70 646 523 A 14 VAL H A 13 LYS H 1.0 0.0 3.60 647 524 A 15 LEU H A 16 CYS H 1.0 0.0 3.73 648 525 A 16 CYS H A 17 ALA H 1.0 0.0 3.51 649 526 A 17 ALA H A 18 LEU H 1.0 0.0 3.35 650 527 A 14 VAL H A 15 LEU H 1.0 0.0 3.52 651 528 A 17 ALA H A 19 TYR H 1.0 0.0 4.66 652 529 A 18 LEU H A 19 TYR H 1.0 0.0 3.70 653 530 A 21 GLU H A 20 ALA H 1.0 0.0 3.46 654 531 A 20 ALA H A 19 TYR H 1.0 0.0 3.58 655 532 A 21 GLU H A 19 TYR H 1.0 0.0 5.01 656 533 A 23 LEU H A 24 GLY H 1.0 0.0 3.40 657 534 A 25 VAL H A 23 LEU H 1.0 0.0 4.58 658 535 A 23 LEU H A 22 ILE H 1.0 0.0 3.83 659 536 A 21 GLU H A 22 ILE H 1.0 0.0 3.62 660 537 A 25 VAL H A 24 GLY H 1.0 0.0 3.23 661 538 A 29 GLY H A 30 VAL H 1.0 0.0 4.64 662 539 A 26 GLU H A 27 ARG H 1.0 0.0 3.83 663 540 A 31 ASP H A 32 ASP H 1.0 0.0 3.16 664 541 A 43 LEU H A 44 ALA H 1.0 0.0 3.64 665 542 A 44 ALA H A 45 MET H 1.0 0.0 3.72 666 543 A 47 LEU H A 48 ILE H 1.0 0.0 3.77 667 544 A 47 LEU H A 46 ARG H 1.0 0.0 3.52 668 545 A 46 ARG H A 45 MET H 1.0 0.0 3.56 669 546 A 50 ARG H A 49 ALA H 1.0 0.0 3.56 670 547 A 47 LEU H A 49 ALA H 1.0 0.0 4.69 671 548 A 48 ILE H A 49 ALA H 1.0 0.0 3.63 672 549 A 54 GLU H A 56 GLY H 1.0 0.0 4.34 673 550 A 53 GLU H A 54 GLU H 1.0 0.0 3.55 674 551 A 51 ILE H A 50 ARG H 1.0 0.0 3.70 675 552 A 52 ARG H A 51 ILE H 1.0 0.0 3.77 676 553 A 51 ILE H A 53 GLU H 1.0 0.0 4.70 677 554 A 54 GLU H A 55 LEU H 1.0 0.0 3.43 678 555 A 55 LEU H A 56 GLY H 1.0 0.0 3.25 679 556 A 55 LEU H A 57 VAL H 1.0 0.0 3.92 680 557 A 58 ASP H A 57 VAL H 1.0 0.0 4.44 681 558 A 56 GLY H A 57 VAL H 1.0 0.0 3.47 682 559 A 64 LEU H A 63 GLN H 1.0 0.0 3.20 683 560 A 64 LEU H A 65 PHE H 1.0 0.0 3.32 684 561 A 66 SER H A 65 PHE H 1.0 0.0 3.55 685 562 A 64 LEU H A 66 SER H 1.0 0.0 4.62 686 563 A 67 SER H A 66 SER H 1.0 0.0 3.64 687 564 A 73 VAL H A 72 GLY H 1.0 0.0 3.67 688 565 A 71 ALA H A 72 GLY H 1.0 0.0 3.69 689 566 A 75 ARG H A 76 ALA H 1.0 0.0 3.26 690 567 A 77 LEU H A 78 ALA H 1.0 0.0 3.39 691 568 A 77 LEU H A 76 ALA H 1.0 0.0 3.43 692 569 A 75 ARG H A 74 ALA H 1.0 0.0 3.60 693 570 A 77 LEU H A 75 ARG H 1.0 0.0 4.58 694 571 A 73 VAL H A 74 ALA H 1.0 0.0 3.68 695 572 A 75 ARG H A 73 VAL H 1.0 0.0 4.70 696 573 A 78 ALA H A 79 ALA H 1.0 0.0 3.80 697 574 A 62 ARG HA A 65 PHE H 1.0 0.0 3.90 698 575 A 14 VAL H A 12 GLU H 1.0 0.0 4.64 699 576 A 13 LYS HGy A 12 GLU H 1.0 0.0 5.38 700 577 A 15 LEU H A 13 LYS H 1.0 0.0 5.50 701 578 A 14 VAL H A 17 ALA H 1.0 0.0 5.10 702 579 A 20 ALA H A 17 ALA H 1.0 0.0 5.43 703 580 A 20 ALA H A 16 CYS HA 1.0 0.0 4.88 704 581 A 20 ALA H A 18 LEU H 1.0 0.0 5.10 705 582 A 20 ALA HB% A 22 ILE H 1.0 0.0 4.91 706 583 A 65 PHE H A 65 PHE HD% 1.0 0.0 4.40 707 584 A 23 LEU HA A 25 VAL H 1.0 0.0 5.25 708 585 A 26 GLU H A 25 VAL H 1.0 0.0 4.70 709 586 A 29 GLY H A 28 VAL H 1.0 0.0 4.61 710 587 A 71 ALA HB% A 30 VAL H 1.0 0.0 5.44 711 588 A 30 VAL H A 31 ASP HBx 1.0 0.0 5.50 712 589 A 71 ALA HB% A 32 ASP H 1.0 0.0 5.16 713 590 A 70 PRO HBy A 32 ASP H 1.0 0.0 5.50 714 591 A 32 ASP H A 69 THR HA 1.0 0.0 5.35 715 592 A 46 ARG H A 44 ALA HA 1.0 0.0 4.78 716 593 A 47 LEU H A 45 MET HBy 1.0 0.0 5.50 717 594 A 47 LEU HA A 49 ALA H 1.0 0.0 5.12 718 595 A 50 ARG HDy A 50 ARG H 1.0 0.0 4.97 719 596 A 51 ILE H A 52 ARG HG3 1.0 0.0 5.50 720 596 A 51 ILE H A 55 LEU HG 1.0 0.0 5.50 721 596 A 51 ILE H A 52 ARG HG2 1.0 0.0 5.50 722 597 A 52 ARG H A 52 ARG HBx 1.0 0.0 3.07 723 597 A 51 ILE HB A 52 ARG H 1.0 0.0 3.07 724 598 A 52 ARG HBy A 57 VAL H 1.0 0.0 4.43 725 599 A 59 LEU H A 51 ILE HB 1.0 0.0 5.50 726 600 A 61 ILE HG2% A 63 GLN H 1.0 0.0 4.98 727 601 A 63 GLN H A 63 GLN HG2 1.0 0.0 3.92 728 601 A 63 GLN HG3 A 63 GLN H 1.0 0.0 3.92 729 602 A 66 SER H A 64 LEU HBx 1.0 0.0 5.46 730 603 A 67 SER H A 64 LEU HBx 1.0 0.0 5.50 731 604 A 67 SER H A 68 PRO HA 1.0 0.0 5.50 732 605 A 69 THR H A 72 GLY HAy 1.0 0.0 4.28 733 606 A 73 VAL HA A 69 THR H 1.0 0.0 5.50 734 607 A 73 VAL HGx% A 69 THR H 1.0 0.0 5.46 735 608 A 71 ALA H A 70 PRO HDx 1.0 0.0 3.85 736 608 A 30 VAL HA A 71 ALA H 1.0 0.0 3.85 737 608 A 70 PRO HDy A 71 ALA H 1.0 0.0 3.85 738 609 A 70 PRO HDy A 71 ALA H 1.0 0.0 3.91 739 609 A 30 VAL HA A 71 ALA H 1.0 0.0 3.91 740 610 A 71 ALA H A 72 GLY HAy 1.0 0.0 4.98 741 611 A 73 VAL HA A 72 GLY H 1.0 0.0 5.34 742 611 A 70 PRO HDy A 72 GLY H 1.0 0.0 5.34 743 612 A 72 GLY H A 70 PRO HG2 1.0 0.0 4.67 744 612 A 70 PRO HG3 A 72 GLY H 1.0 0.0 4.67 745 613 A 71 ALA HB% A 73 VAL H 1.0 0.0 5.33 746 614 A 73 VAL HB A 73 VAL H 1.0 0.0 3.66 747 615 A 74 ALA H A 72 GLY HAy 1.0 0.0 4.96 748 616 A 73 VAL HB A 74 ALA H 1.0 0.0 4.05 749 617 A 77 LEU HG A 74 ALA H 1.0 0.0 4.98 750 618 A 14 VAL HGx% A 17 ALA H 1.0 0.0 5.06 751 619 A 52 ARG HBy A 56 GLY H 1.0 0.0 5.26 752 620 A 57 VAL HGx% A 56 GLY H 1.0 0.0 4.49 753 620 A 56 GLY H A 57 VAL HGy% 1.0 0.0 4.49 754 621 A 28 VAL H A 27 ARG HBx 1.0 0.0 4.05 755 622 A 28 VAL H A 27 ARG HGx 1.0 0.0 4.28 756 623 A 32 ASP H A 69 THR HB 1.0 0.0 4.72 757 624 A 32 ASP H A 31 ASP HBx 1.0 0.0 4.49 758 625 A 48 ILE HB A 49 ALA H 1.0 0.0 3.64 759 626 A 47 LEU H A 46 ARG HGx 1.0 0.0 5.45 760 626 A 43 LEU HBy A 47 LEU H 1.0 0.0 5.45 761 627 A 54 GLU HGy A 54 GLU H 1.0 0.0 3.84 762 628 A 54 GLU H A 53 GLU HGy 1.0 0.0 4.21 763 629 A 54 GLU HGx A 54 GLU H 1.0 0.0 4.18 764 630 A 51 ILE HG2% A 57 VAL H 1.0 0.0 3.82 765 631 A 52 ARG H A 57 VAL H 1.0 0.0 5.33 766 632 A 64 LEU H A 65 PHE HA 1.0 0.0 5.35 767 633 A 73 VAL HB A 72 GLY H 1.0 0.0 4.90 768 634 A 75 ARG HGx A 76 ALA H 1.0 0.0 5.26 769 635 A 77 LEU H A 77 LEU HBx 1.0 0.0 3.21 770 636 A 77 LEU H A 76 ALA HB% 1.0 0.0 3.21 771 637 A 18 LEU HDx% A 15 LEU H 1.0 0.0 5.15 772 638 A 12 GLU HA A 16 CYS H 1.0 0.0 4.10 773 639 A 15 LEU H A 17 ALA H 1.0 0.0 5.02 774 640 A 21 GLU H A 23 LEU H 1.0 0.0 5.06 775 641 A 21 GLU H A 24 GLY H 1.0 0.0 5.50 776 642 A 22 ILE H A 24 GLY H 1.0 0.0 4.74 777 643 A 21 GLU H A 22 ILE HG1y 1.0 0.0 4.85 778 644 A 32 ASP H A 33 ALA H 1.0 0.0 4.74 779 645 A 29 GLY H A 31 ASP H 1.0 0.0 5.13 780 646 A 29 GLY H A 32 ASP H 1.0 0.0 4.91 781 647 A 39 GLY H A 38 GLY H 1.0 0.0 4.83 782 648 A 37 LEU H A 36 ASP H 1.0 0.0 4.86 783 649 A 37 LEU HDy% A 38 GLY H 1.0 0.0 5.16 784 649 A 37 LEU HDx% A 38 GLY H 1.0 0.0 5.16 785 650 A 43 LEU HG A 44 ALA H 1.0 0.0 5.15 786 650 A 43 LEU HBy A 44 ALA H 1.0 0.0 5.15 787 651 A 44 ALA H A 34 PHE HZ 1.0 0.0 4.44 788 652 A 47 LEU H A 45 MET H 1.0 0.0 5.22 789 653 A 53 GLU H A 55 LEU H 1.0 0.0 5.01 790 654 A 52 ARG H A 49 ALA H 1.0 0.0 5.40 791 655 A 52 ARG H A 50 ARG H 1.0 0.0 4.27 792 656 A 51 ILE H A 49 ALA H 1.0 0.0 4.81 793 657 A 46 ARG H A 49 ALA H 1.0 0.0 5.24 794 658 A 47 LEU H A 34 PHE HZ 1.0 0.0 5.12 795 659 A 59 LEU H A 58 ASP H 1.0 0.0 4.85 796 660 A 64 LEU H A 62 ARG H 1.0 0.0 4.61 797 661 A 62 ARG H A 65 PHE H 1.0 0.0 5.13 798 662 A 67 SER H A 65 PHE H 1.0 0.0 4.29 799 663 A 77 LEU H A 79 ALA H 1.0 0.0 5.28 800 664 A 34 PHE HZ A 34 PHE HD% 1.0 0.0 4.01 801 665 A 34 PHE HD% A 34 PHE HA 1.0 0.0 3.87 802 666 A 47 LEU HDx% A 19 TYR HE% 1.0 0.0 3.79 803 667 A 64 LEU HD1% A 34 PHE HZ 1.0 0.0 4.58 804 667 A 47 LEU HDx% A 34 PHE HZ 1.0 0.0 4.58 805 668 A 64 LEU HD1% A 34 PHE HE% 1.0 0.0 3.91 806 668 A 47 LEU HDx% A 34 PHE HE% 1.0 0.0 3.91 807 669 A 44 ALA HB% A 34 PHE HE% 1.0 0.0 3.88 808 670 A 44 ALA HB% A 34 PHE HZ 1.0 0.0 4.54 809 671 A 73 VAL HGx% A 19 TYR HE% 1.0 0.0 5.12 810 671 A 15 LEU HD1% A 19 TYR HE% 1.0 0.0 5.12 811 672 A 28 VAL HGx% A 19 TYR HE% 1.0 0.0 4.67 812 673 A 19 TYR HE% A 34 PHE HBx 1.0 0.0 4.51 813 674 A 47 LEU HDy% A 19 TYR HD% 1.0 0.0 4.04 814 675 A 65 PHE HA A 65 PHE HE% 1.0 0.0 4.40 815 676 A 84 TRP HE3 A 84 TRP HB2 1.0 0.0 3.89 816 676 A 84 TRP HB3 A 84 TRP HE3 1.0 0.0 3.89 817 677 A 65 PHE HE% A 65 PHE HZ 1.0 0.0 2.42 818 678 A 44 ALA HB% A 65 PHE HZ 1.0 0.0 4.69 819 679 A 33 ALA HB% A 35 HIS HE1 1.0 0.0 3.67 820 680 A 33 ALA HA A 69 THR HA 1.0 0.0 3.49 821 681 A 84 TRP HE3 A 84 TRP HA 1.0 0.0 4.49 822 682 A 68 PRO HBx A 35 HIS HE1 1.0 0.0 4.62 823 683 A 68 PRO HBy A 35 HIS HE1 1.0 0.0 5.15 824 684 A 64 LEU HDy% A 68 PRO HA 1.0 0.0 4.05 825 685 A 69 THR HA A 31 ASP HA 1.0 0.0 5.50 826 686 A 69 THR HB A 31 ASP HA 1.0 0.0 3.92 827 687 A 55 LEU HDy% A 55 LEU HA 1.0 0.0 4.31 828 688 A 57 VAL HGx% A 55 LEU HA 1.0 0.0 4.84 829 688 A 58 ASP HA A 57 VAL HGy% 1.0 0.0 4.84 830 688 A 55 LEU HA A 57 VAL HGy% 1.0 0.0 4.84 831 689 A 51 ILE HD1% A 48 ILE HG1x 1.0 0.0 4.12 832 689 A 51 ILE HD1% A 47 LEU HG 1.0 0.0 4.12 833 689 A 47 LEU HG A 51 ILE HG1x 1.0 0.0 4.12 834 690 A 73 VAL HGy% A 59 LEU HDy% 1.0 0.0 4.64 835 690 A 51 ILE HD1% A 73 VAL HGy% 1.0 0.0 4.64 836 691 A 59 LEU HBx A 59 LEU HDy% 1.0 0.0 3.78 837 691 A 51 ILE HD1% A 59 LEU HBx 1.0 0.0 3.78 838 691 A 23 LEU HDy% A 28 VAL HGx% 1.0 0.0 3.78 839 692 A 51 ILE HD1% A 48 ILE HG1y 1.0 0.0 4.19 840 693 A 43 LEU HD2% A 22 ILE HB 1.0 0.0 5.09 841 694 A 47 LEU HBy A 64 LEU HD1% 1.0 0.0 3.86 842 694 A 47 LEU HDx% A 51 ILE HG1y 1.0 0.0 3.86 843 694 A 47 LEU HBy A 47 LEU HDx% 1.0 0.0 3.86 844 695 A 64 LEU HD1% A 61 ILE HG1y 1.0 0.0 3.94 845 695 A 47 LEU HDx% A 47 LEU HBx 1.0 0.0 3.94 846 696 A 64 LEU HD1% A 51 ILE HD1% 1.0 0.0 3.95 847 696 A 47 LEU HDx% A 51 ILE HD1% 1.0 0.0 3.95 848 696 A 47 LEU HDx% A 51 ILE HG1x 1.0 0.0 3.95 849 697 A 64 LEU HD1% A 73 VAL HGy% 1.0 0.0 4.48 850 697 A 47 LEU HDx% A 73 VAL HGy% 1.0 0.0 4.48 851 698 A 47 LEU HDy% A 34 PHE HE% 1.0 0.0 5.06 852 699 A 23 LEU HDy% A 37 LEU H 1.0 0.0 4.35 853 699 A 23 LEU HDy% A 19 TYR HD% 1.0 0.0 4.35 854 700 A 64 LEU HD1% A 34 PHE HD% 1.0 0.0 4.32 855 700 A 47 LEU HDx% A 34 PHE HD% 1.0 0.0 4.32 856 701 A 15 LEU HA A 18 LEU HDy% 1.0 0.0 3.82 857 701 A 15 LEU HD1% A 11 THR HB 1.0 0.0 3.82 858 702 A 23 LEU HDy% A 34 PHE HA 1.0 0.0 3.79 859 702 A 23 LEU HDy% A 19 TYR HA 1.0 0.0 3.79 860 703 A 23 LEU HG A 34 PHE HA 1.0 0.0 4.56 861 703 A 19 TYR HA A 23 LEU HG 1.0 0.0 4.56 862 703 A 15 LEU HA A 17 ALA HB% 1.0 0.0 4.56 863 704 A 69 THR HG2% A 19 TYR HE% 1.0 0.0 4.87 864 704 A 28 VAL HGx% A 19 TYR HE% 1.0 0.0 4.87 865 705 A 37 LEU HDy% A 19 TYR HE% 1.0 0.0 4.74 866 706 A 34 PHE HA A 19 TYR HD% 1.0 0.0 3.66 867 706 A 19 TYR HA A 19 TYR HD% 1.0 0.0 3.66 868 707 A 37 LEU HDy% A 37 LEU H 1.0 0.0 4.02 869 707 A 37 LEU HDy% A 19 TYR HD% 1.0 0.0 4.02 870 707 A 37 LEU H A 37 LEU HDx% 1.0 0.0 4.02 871 708 A 28 VAL HGy% A 19 TYR HD% 1.0 0.0 4.13 872 709 A 44 ALA HB% A 65 PHE HD% 1.0 0.0 4.41 873 710 A 43 LEU HD1% A 34 PHE HZ 1.0 0.0 4.89 874 711 A 34 PHE HD% A 35 HIS HA 1.0 0.0 4.54 875 712 A 64 LEU H A 62 ARG HA 1.0 0.0 4.43 876 713 A 65 PHE HD% A 61 ILE HD1% 1.0 0.0 4.82 877 713 A 61 ILE HG2% A 65 PHE HD% 1.0 0.0 4.82 878 714 A 33 ALA HB% A 69 THR HA 1.0 0.0 4.86 879 715 A 33 ALA HA A 69 THR HB 1.0 0.0 5.24 880 715 A 52 ARG HA A 58 ASP HA 1.0 0.0 5.24 881 716 A 62 ARG HA A 65 PHE HBx 1.0 0.0 4.15 882 717 A 31 ASP HBy A 69 THR HG2% 1.0 0.0 4.24 883 717 A 28 VAL HGx% A 32 ASP HBy 1.0 0.0 4.24 884 718 A 75 ARG HA A 75 ARG HDx 1.0 0.0 4.68 885 719 A 45 MET HGx A 42 ALA HA 1.0 0.0 4.61 886 720 A 54 GLU HA A 53 GLU HBy 1.0 0.0 4.47 887 721 A 63 GLN HG3 A 59 LEU HDy% 1.0 0.0 4.82 888 721 A 59 LEU HDy% A 63 GLN HG2 1.0 0.0 4.82 889 722 A 63 GLN HBy A 59 LEU HDy% 1.0 0.0 4.54 890 722 A 23 LEU HDy% A 22 ILE HB 1.0 0.0 4.54 891 723 A 77 LEU HDx% A 63 GLN HBy 1.0 0.0 4.08 892 723 A 47 LEU HDy% A 22 ILE HB 1.0 0.0 4.08 893 723 A 47 LEU HDy% A 18 LEU HBy 1.0 0.0 4.08 894 724 A 77 LEU HBy A 63 GLN HG2 1.0 0.0 3.58 895 724 A 63 GLN HG3 A 77 LEU HBy 1.0 0.0 3.58 896 725 A 44 ALA HB% A 45 MET HBy 1.0 0.0 4.94 897 725 A 45 MET HBy A 42 ALA HB% 1.0 0.0 4.94 898 726 A 15 LEU HD1% A 12 GLU HGy 1.0 0.0 3.83 899 727 A 55 LEU HDy% A 11 THR HG2% 1.0 0.0 3.18 900 727 A 18 LEU HDy% A 18 LEU HBx 1.0 0.0 3.18 901 727 A 15 LEU HD1% A 11 THR HG2% 1.0 0.0 3.18 902 728 A 55 LEU HDy% A 55 LEU HBx 1.0 0.0 3.45 903 728 A 73 VAL HGx% A 64 LEU HBy 1.0 0.0 3.45 904 728 A 51 ILE HG2% A 55 LEU HBx 1.0 0.0 3.45 905 728 A 18 LEU HDy% A 17 ALA HB% 1.0 0.0 3.45 906 729 A 51 ILE HG2% A 48 ILE HG2% 1.0 0.0 4.20 907 730 A 51 ILE HG2% A 59 LEU HBy 1.0 0.0 3.38 908 731 A 51 ILE HG2% A 52 ARG HG3 1.0 0.0 4.29 909 732 A 55 LEU HDy% A 55 LEU HBy 1.0 0.0 3.32 910 732 A 51 ILE HG2% A 55 LEU HBy 1.0 0.0 3.32 911 732 A 51 ILE HG1y A 51 ILE HG2% 1.0 0.0 3.32 912 733 A 28 VAL HGy% A 17 ALA HA 1.0 0.0 3.62 913 734 A 51 ILE HA A 55 LEU HDy% 1.0 0.0 3.84 914 734 A 51 ILE HA A 51 ILE HG2% 1.0 0.0 3.84 915 735 A 51 ILE HA A 18 LEU HDx% 1.0 0.0 4.00 916 736 A 51 ILE HD1% A 51 ILE HA 1.0 0.0 3.88 917 736 A 51 ILE HG1x A 51 ILE HA 1.0 0.0 3.88 918 737 A 65 PHE HE% A 61 ILE HG1x 1.0 0.0 4.96 919 738 A 65 PHE HE% A 61 ILE HD1% 1.0 0.0 4.64 920 738 A 61 ILE HG2% A 65 PHE HE% 1.0 0.0 4.64 921 739 A 51 ILE HG2% A 52 ARG HA 1.0 0.0 3.44 922 739 A 28 VAL HGy% A 28 VAL HA 1.0 0.0 3.44 923 740 A 28 VAL HGx% A 28 VAL HA 1.0 0.0 3.44 924 741 A 28 VAL HGx% A 19 TYR HBy 1.0 0.0 4.17 925 742 A 28 VAL HGx% A 32 ASP HBx 1.0 0.0 4.36 926 743 A 28 VAL HGx% A 70 PRO HBy 1.0 0.0 4.37 927 744 A 64 LEU HBx A 65 PHE HBx 1.0 0.0 4.52 928 744 A 28 VAL HGx% A 32 ASP HBy 1.0 0.0 4.52 929 745 A 22 ILE HB A 19 TYR HD% 1.0 0.0 4.86 930 745 A 18 LEU HBy A 19 TYR HD% 1.0 0.0 4.86 931 746 A 11 THR HA A 14 VAL HB 1.0 0.0 3.65 932 747 A 69 THR HG2% A 68 PRO HA 1.0 0.0 5.35 933 747 A 64 LEU HG A 68 PRO HA 1.0 0.0 5.35 934 747 A 64 LEU HBx A 68 PRO HA 1.0 0.0 5.35 935 748 A 64 LEU HDy% A 73 VAL HGx% 1.0 0.0 4.84 936 749 A 64 LEU HDy% A 59 LEU HDx% 1.0 0.0 5.13 937 749 A 64 LEU HDy% A 48 ILE HD1% 1.0 0.0 5.13 938 750 A 64 LEU HDy% A 59 LEU HDy% 1.0 0.0 4.13 939 751 A 64 LEU HDy% A 59 LEU HDy% 1.0 0.0 4.59 940 751 A 64 LEU HDy% A 51 ILE HD1% 1.0 0.0 4.59 941 752 A 25 VAL HGx% A 37 LEU HA 1.0 0.0 3.74 942 753 A 32 ASP HBx A 37 LEU HDy% 1.0 0.0 4.25 943 754 A 54 GLU HA A 55 LEU HDx% 1.0 0.0 4.57 944 754 A 37 LEU HDy% A 37 LEU HA 1.0 0.0 4.57 945 754 A 37 LEU HDx% A 37 LEU HA 1.0 0.0 4.57 946 754 A 14 VAL HGx% A 54 GLU HA 1.0 0.0 4.57 947 755 A 14 VAL HGx% A 54 GLU HA 1.0 0.0 4.24 948 755 A 37 LEU HDy% A 37 LEU HA 1.0 0.0 4.24 949 755 A 37 LEU HDx% A 37 LEU HA 1.0 0.0 4.24 950 756 A 25 VAL HGx% A 25 VAL HA 1.0 0.0 3.24 951 757 A 37 LEU HG A 37 LEU HA 1.0 0.0 4.10 952 758 A 42 ALA HB% A 40 SER HBy 1.0 0.0 3.44 953 759 A 64 LEU HD1% A 44 ALA HB% 1.0 0.0 3.86 954 759 A 47 LEU HDx% A 44 ALA HB% 1.0 0.0 3.86 955 760 A 64 LEU HD1% A 64 LEU HBy 1.0 0.0 4.21 956 760 A 47 LEU HDx% A 64 LEU HBy 1.0 0.0 4.21 957 761 A 64 LEU HD1% A 48 ILE HG1y 1.0 0.0 5.06 958 761 A 47 LEU HDx% A 48 ILE HG1y 1.0 0.0 5.06 959 762 A 23 LEU HDx% A 43 LEU HBy 1.0 0.0 4.20 960 762 A 23 LEU HDx% A 23 LEU HBy 1.0 0.0 4.20 961 763 A 23 LEU HBy A 25 VAL HGx% 1.0 0.0 3.48 962 764 A 43 LEU HBy A 43 LEU HD2% 1.0 0.0 3.88 963 764 A 23 LEU HBy A 37 LEU HDx% 1.0 0.0 3.88 964 764 A 14 VAL HGx% A 15 LEU HG 1.0 0.0 3.88 965 765 A 43 LEU HD1% A 43 LEU HBy 1.0 0.0 3.65 966 766 A 60 PRO HD2 A 59 LEU HDy% 1.0 0.0 4.32 967 767 A 75 ARG HBx A 75 ARG HDy 1.0 0.0 3.95 968 768 A 37 LEU HDy% A 34 PHE HBy 1.0 0.0 5.50 969 769 A 59 LEU HA A 59 LEU HDy% 1.0 0.0 3.82 970 770 A 69 THR HG2% A 31 ASP HA 1.0 0.0 3.74 971 771 A 69 THR HG2% A 32 ASP HA 1.0 0.0 4.74 972 771 A 28 VAL HGx% A 32 ASP HA 1.0 0.0 4.74 973 772 A 55 LEU HBx A 57 VAL HGy% 1.0 0.0 3.96 974 773 A 77 LEU HDx% A 77 LEU HBy 1.0 0.0 3.53 975 774 A 62 ARG HA A 61 ILE HG2% 1.0 0.0 4.28 976 775 A 25 VAL HGx% A 24 GLY HA2 1.0 0.0 4.65 977 775 A 25 VAL HGx% A 24 GLY HA3 1.0 0.0 4.65 978 775 A 25 VAL HGx% A 20 ALA HA 1.0 0.0 4.65 979 776 A 57 VAL HGx% A 55 LEU HBx 1.0 0.0 4.75 980 777 A 64 LEU HG A 65 PHE HA 1.0 0.0 4.82 981 777 A 64 LEU HBx A 65 PHE HA 1.0 0.0 4.82 982 778 A 77 LEU HA A 77 LEU HG 1.0 0.0 3.89 983 778 A 21 GLU HA A 21 GLU HGx 1.0 0.0 3.89 984 779 A 73 VAL HGy% A 68 PRO HA 1.0 0.0 5.50 985 780 A 64 LEU HA A 68 PRO HA 1.0 0.0 4.47 986 781 A 64 LEU HA A 73 VAL HGy% 1.0 0.0 4.84 987 782 A 64 LEU HD1% A 64 LEU HA 1.0 0.0 4.25 988 782 A 47 LEU HA A 47 LEU HDx% 1.0 0.0 4.25 989 783 A 33 ALA HA A 68 PRO HBx 1.0 0.0 4.91 990 784 A 21 GLU HA A 21 GLU HGy 1.0 0.0 3.79 991 785 A 19 TYR HA A 47 LEU HDy% 1.0 0.0 3.33 992 786 A 28 VAL HGy% A 19 TYR HA 1.0 0.0 4.07 993 786 A 15 LEU HA A 18 LEU HDy% 1.0 0.0 4.07 994 786 A 15 LEU HD1% A 15 LEU HA 1.0 0.0 4.07 995 787 A 37 LEU HDy% A 34 PHE HA 1.0 0.0 4.37 996 787 A 15 LEU HA A 14 VAL HGx% 1.0 0.0 4.37 997 788 A 19 TYR HBx A 37 LEU HDy% 1.0 0.0 4.95 998 789 A 32 ASP HBy A 37 LEU HDy% 1.0 0.0 4.77 999 789 A 32 ASP HBy A 37 LEU HDx% 1.0 0.0 4.77 1000 790 A 23 LEU HDy% A 19 TYR HBx 1.0 0.0 4.68 1001 791 A 28 VAL HGy% A 28 VAL HA 1.0 0.0 3.66 1002 792 A 70 PRO HBx A 30 VAL HG2% 1.0 0.0 4.03 1003 792 A 70 PRO HBx A 30 VAL HG1% 1.0 0.0 4.03 1004 792 A 51 ILE HG2% A 55 LEU HBx 1.0 0.0 4.03 1005 792 A 18 LEU HDy% A 17 ALA HB% 1.0 0.0 4.03 1006 792 A 73 VAL HGx% A 64 LEU HBy 1.0 0.0 4.03 1007 792 A 55 LEU HDy% A 55 LEU HBx 1.0 0.0 4.03 1008 793 A 28 VAL HGx% A 19 TYR HBx 1.0 0.0 4.22 1009 794 A 65 PHE HBx A 61 ILE HD1% 1.0 0.0 5.39 1010 794 A 61 ILE HG2% A 65 PHE HBx 1.0 0.0 5.39 1011 795 A 18 LEU HDy% A 54 GLU HGy 1.0 0.0 4.71 1012 796 A 54 GLU HGx A 18 LEU HDx% 1.0 0.0 4.63 1013 797 A 18 LEU HDx% A 54 GLU HGy 1.0 0.0 5.15 1014 798 A 54 GLU HGx A 14 VAL HGx% 1.0 0.0 4.91 1015 799 A 11 THR HA A 55 LEU HDx% 1.0 0.0 4.11 1016 799 A 11 THR HA A 14 VAL HGx% 1.0 0.0 4.11 1017 800 A 51 ILE HA A 55 LEU HDx% 1.0 0.0 5.10 1018 801 A 11 THR HG2% A 55 LEU HDx% 1.0 0.0 3.98 1019 801 A 14 VAL HGx% A 11 THR HG2% 1.0 0.0 3.98 1020 802 A 14 VAL HGy% A 11 THR HG2% 1.0 0.0 4.20 1021 803 A 73 VAL HGy% A 59 LEU HDy% 1.0 0.0 4.47 1022 804 A 48 ILE HG1x A 59 LEU HDy% 1.0 0.0 5.02 1023 805 A 59 LEU HBx A 59 LEU HDy% 1.0 0.0 3.72 1024 806 A 25 VAL HGx% A 37 LEU HBx 1.0 0.0 4.13 1025 807 A 14 VAL HA A 17 ALA HB% 1.0 0.0 3.67 1026 808 A 75 ARG HA A 75 ARG HGx 1.0 0.0 3.72 1027 809 A 75 ARG HA A 78 ALA HB% 1.0 0.0 3.52 1028 810 A 74 ALA HB% A 11 THR HB 1.0 0.0 3.85 1029 811 A 63 GLN HA A 77 LEU HBx 1.0 0.0 5.45 1030 812 A 63 GLN HA A 63 GLN HG2 1.0 0.0 3.72 1031 812 A 63 GLN HG3 A 63 GLN HA 1.0 0.0 3.72 1032 813 A 47 LEU HA A 46 ARG HB2 1.0 0.0 3.96 1033 813 A 47 LEU HA A 46 ARG HB3 1.0 0.0 3.96 1034 814 A 64 LEU HD1% A 65 PHE HE% 1.0 0.0 4.97 1035 815 A 71 ALA HA A 30 VAL HG2% 1.0 0.0 4.78 1036 815 A 71 ALA HA A 30 VAL HG1% 1.0 0.0 4.78 1037 815 A 15 LEU HD1% A 71 ALA HA 1.0 0.0 4.78 1038 816 A 57 VAL HGx% A 57 VAL HA 1.0 0.0 3.34 1039 817 A 57 VAL HGx% A 57 VAL HA 1.0 0.0 3.33 1040 817 A 57 VAL HA A 57 VAL HGy% 1.0 0.0 3.33 1041 818 A 74 ALA HA A 77 LEU HDx% 1.0 0.0 3.83 1042 819 A 25 VAL HGy% A 20 ALA HA 1.0 0.0 3.47 1043 820 A 28 VAL HGy% A 20 ALA HA 1.0 0.0 3.83 1044 821 A 47 LEU HA A 22 ILE HD1% 1.0 0.0 3.27 1045 821 A 22 ILE HD1% A 22 ILE HA 1.0 0.0 3.27 1046 822 A 47 LEU HA A 22 ILE HG2% 1.0 0.0 3.56 1047 822 A 22 ILE HG2% A 22 ILE HA 1.0 0.0 3.56 1048 823 A 22 ILE HD1% A 22 ILE HG2% 1.0 0.0 3.80 1049 824 A 43 LEU HD2% A 22 ILE HD1% 1.0 0.0 3.83 1050 825 A 11 THR HA A 55 LEU HDy% 1.0 0.0 4.21 1051 825 A 15 LEU HD1% A 11 THR HA 1.0 0.0 4.21 1052 826 A 11 THR HA A 11 THR HG2% 1.0 0.0 3.27 1053 827 A 11 THR HA A 14 VAL HGy% 1.0 0.0 4.00 1054 828 A 55 LEU HDx% A 55 LEU HBx 1.0 0.0 4.10 1055 828 A 37 LEU HDy% A 37 LEU HBx 1.0 0.0 4.10 1056 828 A 37 LEU HDx% A 37 LEU HBx 1.0 0.0 4.10 1057 828 A 23 LEU HG A 37 LEU HDy% 1.0 0.0 4.10 1058 828 A 14 VAL HGx% A 17 ALA HB% 1.0 0.0 4.10 1059 829 A 11 THR HG2% A 55 LEU HDx% 1.0 0.0 3.92 1060 830 A 28 VAL HGx% A 37 LEU HDy% 1.0 0.0 4.09 1061 831 A 14 VAL HGy% A 10 ALA HB% 1.0 0.0 4.49 1062 832 A 61 ILE HG1y A 64 LEU HBx 1.0 0.0 4.68 1063 832 A 15 LEU HBx A 11 THR HG2% 1.0 0.0 4.68 1064 833 A 69 THR HG2% A 73 VAL HGy% 1.0 0.0 5.50 1065 834 A 74 ALA HB% A 73 VAL HGy% 1.0 0.0 5.26 1066 835 A 73 VAL HA A 73 VAL HGy% 1.0 0.0 3.47 1067 836 A 48 ILE HG1y A 48 ILE HG2% 1.0 0.0 3.77 1068 837 A 47 LEU HBx A 48 ILE HG1y 1.0 0.0 4.92 1069 837 A 11 THR HG2% A 55 LEU HG 1.0 0.0 4.92 1070 837 A 11 THR HG2% A 10 ALA HB% 1.0 0.0 4.92 1071 838 A 11 THR HG2% A 14 VAL HB 1.0 0.0 4.83 1072 838 A 12 GLU HGy A 11 THR HG2% 1.0 0.0 4.83 1073 839 A 74 ALA HB% A 11 THR HG2% 1.0 0.0 3.63 1074 840 A 74 ALA HA A 11 THR HG2% 1.0 0.0 3.80 1075 841 A 14 VAL HGy% A 14 VAL HA 1.0 0.0 3.29 1076 842 A 27 ARG HA A 27 ARG HGy 1.0 0.0 3.69 1077 842 A 20 ALA HB% A 27 ARG HA 1.0 0.0 3.69 1078 843 A 20 ALA HB% A 17 ALA HA 1.0 0.0 3.35 1079 844 A 48 ILE HG1y A 61 ILE HD1% 1.0 0.0 4.76 1080 844 A 25 VAL HGx% A 20 ALA HB% 1.0 0.0 4.76 1081 845 A 15 LEU HBx A 55 LEU HDx% 1.0 0.0 5.50 1082 846 A 43 LEU HD1% A 22 ILE HG2% 1.0 0.0 3.56 1083 847 A 77 LEU HDx% A 11 THR HG2% 1.0 0.0 3.59 1084 847 A 47 LEU HDy% A 47 LEU HBx 1.0 0.0 3.59 1085 847 A 47 LEU HDy% A 18 LEU HBx 1.0 0.0 3.59 1086 848 A 69 THR HG2% A 33 ALA HB% 1.0 0.0 3.55 1087 848 A 22 ILE HG1x A 22 ILE HG2% 1.0 0.0 3.55 1088 849 A 48 ILE HG1x A 48 ILE HG2% 1.0 0.0 3.91 1089 850 A 69 THR HG2% A 33 ALA HA 1.0 0.0 3.40 1090 850 A 28 VAL HGx% A 28 VAL HA 1.0 0.0 3.40 1091 851 A 43 LEU HA A 43 LEU HD2% 1.0 0.0 3.27 1092 852 A 45 MET HA A 48 ILE HD1% 1.0 0.0 4.34 1093 852 A 18 LEU HA A 18 LEU HDx% 1.0 0.0 4.34 1094 853 A 91 LYS HD3 A 91 LYS HA 1.0 0.0 3.83 1095 854 A 27 ARG HBy A 28 VAL HA 1.0 0.0 4.50 1096 855 A 71 ALA HA A 70 PRO HBx 1.0 0.0 4.11 1097 855 A 23 LEU HA A 23 LEU HG 1.0 0.0 4.11 1098 856 A 55 LEU HDx% A 55 LEU HBx 1.0 0.0 3.74 1099 857 A 55 LEU HDx% A 55 LEU HBx 1.0 0.0 3.69 1100 857 A 37 LEU HDy% A 37 LEU HBx 1.0 0.0 3.69 1101 857 A 37 LEU HDx% A 37 LEU HBx 1.0 0.0 3.69 1102 858 A 30 VAL HA A 30 VAL HG2% 1.0 0.0 3.43 1103 858 A 73 VAL HGx% A 73 VAL HA 1.0 0.0 3.43 1104 858 A 30 VAL HA A 30 VAL HG1% 1.0 0.0 3.43 1105 859 A 48 ILE HA A 48 ILE HG1y 1.0 0.0 3.70 1106 860 A 12 GLU HA A 74 ALA HB% 1.0 0.0 4.35 1107 861 A 44 ALA HB% A 61 ILE HD1% 1.0 0.0 3.54 1108 862 A 77 LEU HBx A 63 GLN HG2 1.0 0.0 4.49 1109 862 A 63 GLN HG3 A 77 LEU HBx 1.0 0.0 4.49 1110 863 A 44 ALA HB% A 45 MET HBx 1.0 0.0 5.50 1111 864 A 45 MET HA A 48 ILE HG2% 1.0 0.0 4.97 1112 865 A 77 LEU HG A 78 ALA HA 1.0 0.0 4.43 1113 866 A 54 GLU HGy A 54 GLU HA 1.0 0.0 3.82 1114 867 A 8 GLU HBy A 7 PRO HA 1.0 0.0 4.64 1115 868 A 27 ARG HA A 27 ARG HGx 1.0 0.0 4.15 1116 869 A 46 ARG HA A 46 ARG HD2 1.0 0.0 4.17 1117 870 A 48 ILE HG1x A 48 ILE HA 1.0 0.0 4.03 1118 870 A 47 LEU HG A 48 ILE HA 1.0 0.0 4.03 1119 870 A 71 ALA HB% A 30 VAL HA 1.0 0.0 4.03 1120 871 A 48 ILE HA A 48 ILE HG2% 1.0 0.0 3.62 1121 872 A 73 VAL HA A 77 LEU HDx% 1.0 0.0 3.99 1122 872 A 48 ILE HA A 48 ILE HD1% 1.0 0.0 3.99 1123 873 A 51 ILE HD1% A 48 ILE HA 1.0 0.0 3.66 1124 874 A 15 LEU HD1% A 74 ALA HB% 1.0 0.0 3.75 1125 875 A 33 ALA HA A 69 THR H 1.0 0.0 5.29 1126 876 A 69 THR HG2% A 69 THR H 1.0 0.0 3.62 1127 876 A 47 LEU H A 22 ILE HG2% 1.0 0.0 3.62 1128 877 A 71 ALA H A 69 THR HB 1.0 0.0 4.34 1129 878 A 15 LEU HBx A 15 LEU H 1.0 0.0 4.02 1130 879 A 69 THR HG2% A 68 PRO HBx 1.0 0.0 4.89 1131 879 A 64 LEU HG A 68 PRO HBx 1.0 0.0 4.89 1132 880 A 33 ALA HA A 34 PHE H 1.0 0.0 3.54 1133 881 A 69 THR HA A 19 TYR HE% 1.0 0.0 4.20 1134 882 A 69 THR HG2% A 69 THR HA 1.0 0.0 3.49 1135 883 A 71 ALA H A 30 VAL HG2% 1.0 0.0 4.22 1136 883 A 30 VAL HG1% A 71 ALA H 1.0 0.0 4.22 1137 884 A 28 VAL HGy% A 29 GLY H 1.0 0.0 4.42 1138 884 A 28 VAL HGy% A 19 TYR H 1.0 0.0 4.42 1139 884 A 18 LEU HDy% A 19 TYR H 1.0 0.0 4.42 1140 885 A 28 VAL HGx% A 29 GLY H 1.0 0.0 4.76 1141 885 A 28 VAL HGx% A 19 TYR H 1.0 0.0 4.76 1142 886 A 18 LEU HBx A 19 TYR H 1.0 0.0 4.49 1143 887 A 30 VAL H A 30 VAL HG2% 1.0 0.0 2.93 1144 887 A 31 ASP H A 30 VAL HG2% 1.0 0.0 2.93 1145 887 A 31 ASP H A 30 VAL HG1% 1.0 0.0 2.93 1146 887 A 30 VAL H A 30 VAL HG1% 1.0 0.0 2.93 1147 888 A 28 VAL HGy% A 28 VAL H 1.0 0.0 3.67 1148 888 A 15 LEU HD1% A 15 LEU H 1.0 0.0 3.67 1149 889 A 71 ALA HB% A 31 ASP H 1.0 0.0 4.92 1150 889 A 71 ALA HB% A 30 VAL H 1.0 0.0 4.92 1151 890 A 31 ASP H A 30 VAL HB 1.0 0.0 3.91 1152 890 A 30 VAL H A 30 VAL HB 1.0 0.0 3.91 1153 891 A 69 THR HG2% A 71 ALA H 1.0 0.0 4.52 1154 892 A 44 ALA HB% A 65 PHE HE% 1.0 0.0 3.84 1155 893 A 48 ILE HD1% A 61 ILE H 1.0 0.0 4.49 1156 893 A 18 LEU HDx% A 18 LEU H 1.0 0.0 4.49 1157 894 A 63 GLN HA A 66 SER H 1.0 0.0 4.24 1158 895 A 66 SER H A 66 SER HB2 1.0 0.0 3.84 1159 896 A 82 ALA H A 82 ALA HB% 1.0 0.0 3.03 1160 896 A 20 ALA HB% A 20 ALA H 1.0 0.0 3.03 1161 897 A 75 ARG H A 78 ALA HB% 1.0 0.0 4.35 1162 897 A 75 ARG H A 76 ALA HB% 1.0 0.0 4.35 1163 898 A 15 LEU HG A 12 GLU H 1.0 0.0 4.39 1164 898 A 12 GLU HGx A 12 GLU H 1.0 0.0 4.39 1165 899 A 11 THR HG2% A 12 GLU H 1.0 0.0 4.45 1166 900 A 15 LEU HD1% A 12 GLU H 1.0 0.0 4.36 1167 901 A 18 LEU HDy% A 18 LEU H 1.0 0.0 3.77 1168 901 A 15 LEU HD1% A 74 ALA H 1.0 0.0 3.77 1169 902 A 55 LEU HDy% A 55 LEU H 1.0 0.0 3.96 1170 902 A 51 ILE HG2% A 55 LEU H 1.0 0.0 3.96 1171 903 A 61 ILE H A 61 ILE HG2% 1.0 0.0 3.57 1172 904 A 62 ARG H A 61 ILE H 1.0 0.0 4.26 1173 905 A 60 PRO HA A 61 ILE H 1.0 0.0 3.21 1174 906 A 26 GLU H A 25 VAL HGx% 1.0 0.0 4.11 1175 907 A 59 LEU H A 59 LEU HDx% 1.0 0.0 4.21 1176 907 A 25 VAL HGy% A 26 GLU H 1.0 0.0 4.21 1177 908 A 26 GLU H A 26 GLU HB3 1.0 0.0 3.68 1178 908 A 26 GLU H A 26 GLU HB2 1.0 0.0 3.68 1179 909 A 51 ILE HG2% A 54 GLU H 1.0 0.0 4.44 1180 909 A 15 LEU HD1% A 16 CYS H 1.0 0.0 4.44 1181 910 A 75 ARG HGy A 76 ALA H 1.0 0.0 4.37 1182 911 A 53 GLU H A 53 GLU HGx 1.0 0.0 3.73 1183 911 A 53 GLU H A 53 GLU HBy 1.0 0.0 3.73 1184 912 A 49 ALA HB% A 52 ARG H 1.0 0.0 4.81 1185 912 A 23 LEU HG A 24 GLY H 1.0 0.0 4.81 1186 913 A 77 LEU H A 77 LEU HDx% 1.0 0.0 3.89 1187 913 A 48 ILE H A 48 ILE HD1% 1.0 0.0 3.89 1188 914 A 48 ILE H A 48 ILE HG2% 1.0 0.0 3.79 1189 914 A 23 LEU H A 22 ILE HG2% 1.0 0.0 3.79 1190 915 A 51 ILE HD1% A 48 ILE H 1.0 0.0 4.19 1191 915 A 23 LEU HDy% A 23 LEU H 1.0 0.0 4.19 1192 916 A 77 LEU H A 77 LEU HBx 1.0 0.0 3.63 1193 916 A 48 ILE H A 48 ILE HG1y 1.0 0.0 3.63 1194 917 A 77 LEU H A 77 LEU HBx 1.0 0.0 3.54 1195 917 A 77 LEU H A 76 ALA HB% 1.0 0.0 3.54 1196 917 A 48 ILE H A 48 ILE HG1y 1.0 0.0 3.54 1197 918 A 77 LEU H A 77 LEU HG 1.0 0.0 3.45 1198 918 A 48 ILE H A 48 ILE HB 1.0 0.0 3.45 1199 919 A 48 ILE HD1% A 45 MET H 1.0 0.0 4.11 1200 920 A 25 VAL HGy% A 25 VAL HA 1.0 0.0 3.79 1201 921 A 45 MET HA A 48 ILE HD1% 1.0 0.0 3.93 1202 922 A 75 ARG H A 74 ALA H 1.0 0.0 3.55 1203 922 A 55 LEU H A 56 GLY H 1.0 0.0 3.55 1204 923 A 63 GLN HBx A 63 GLN HE21 1.0 0.0 4.09 1205 924 A 62 ARG HBy A 63 GLN HE21 1.0 0.0 4.15 1206 925 A 63 GLN HE21 A 62 ARG HG2 1.0 0.0 4.86 1207 925 A 62 ARG HG3 A 63 GLN HE21 1.0 0.0 4.86 1208 926 A 45 MET H A 61 ILE HD1% 1.0 0.0 4.92 1209 927 A 13 LYS H A 13 LYS HB3 1.0 0.0 3.60 1210 927 A 13 LYS H A 13 LYS HB2 1.0 0.0 3.60 1211 928 A 8 GLU H A 8 GLU HBx 1.0 0.0 4.05 1212 929 A 52 ARG HBx A 53 GLU H 1.0 0.0 3.55 1213 929 A 52 ARG H A 52 ARG HBx 1.0 0.0 3.55 1214 930 A 14 VAL H A 13 LYS HB3 1.0 0.0 4.05 1215 931 A 65 PHE HZ A 61 ILE HD1% 1.0 0.0 4.22 1216 932 A 65 PHE HZ A 61 ILE HG1x 1.0 0.0 4.21 1217 933 A 33 ALA HA A 32 ASP H 1.0 0.0 5.50 1218 934 A 23 LEU HDx% A 34 PHE HZ 1.0 0.0 4.40 1219 935 A 23 LEU HDx% A 34 PHE HE% 1.0 0.0 3.87 1220 936 A 47 LEU HDx% A 34 PHE HE% 1.0 0.0 3.62 1221 937 A 23 LEU HDx% A 34 PHE HD% 1.0 0.0 4.56 1222 938 A 22 ILE HG2% A 34 PHE HE% 1.0 0.0 3.81 1223 939 A 43 LEU HD1% A 34 PHE HE% 1.0 0.0 4.46 1224 940 A 57 VAL H A 57 VAL HGy% 1.0 0.0 3.73 1225 940 A 57 VAL HGx% A 57 VAL H 1.0 0.0 3.73 1226 941 A 23 LEU HDy% A 34 PHE HD% 1.0 0.0 3.85 1227 942 A 56 GLY HA2 A 57 VAL H 1.0 0.0 3.39 1228 942 A 34 PHE HD% A 34 PHE HA 1.0 0.0 3.39 1229 943 A 34 PHE H A 19 TYR HE% 1.0 0.0 3.93 1230 944 A 34 PHE H A 34 PHE HD% 1.0 0.0 4.28 1231 945 A 34 PHE HD% A 19 TYR HD% 1.0 0.0 4.21 1232 946 A 33 ALA HA A 19 TYR HE% 1.0 0.0 4.20 1233 947 A 34 PHE HA A 19 TYR HE% 1.0 0.0 3.70 1234 948 A 34 PHE HD% A 19 TYR HE% 1.0 0.0 3.90 1235 949 A 34 PHE HBy A 19 TYR HE% 1.0 0.0 4.00 1236 950 A 73 VAL HGy% A 19 TYR HE% 1.0 0.0 4.26 1237 951 A 47 LEU HDy% A 19 TYR HE% 1.0 0.0 3.98 1238 952 A 51 ILE HD1% A 19 TYR HE% 1.0 0.0 4.37 1239 952 A 23 LEU HDy% A 19 TYR HE% 1.0 0.0 4.37 1240 953 A 55 LEU HDy% A 55 LEU H 1.0 0.0 4.30 1241 953 A 51 ILE HG2% A 55 LEU H 1.0 0.0 4.30 1242 953 A 15 LEU HD1% A 74 ALA H 1.0 0.0 4.30 1243 954 A 23 LEU HDy% A 19 TYR HD% 1.0 0.0 3.64 1244 955 A 67 SER H A 68 PRO HDy 1.0 0.0 3.56 1245 955 A 11 THR HA A 14 VAL H 1.0 0.0 3.56 1246 956 A 78 ALA H A 78 ALA HB% 1.0 0.0 2.95 1247 956 A 20 ALA HB% A 20 ALA H 1.0 0.0 2.95 1248 957 A 43 LEU H A 43 LEU HD2% 1.0 0.0 5.01 1249 958 A 11 THR HA A 15 LEU H 1.0 0.0 4.70 1250 959 A 15 LEU HG A 15 LEU H 1.0 0.0 3.24 1251 960 A 62 ARG H A 62 ARG HBy 1.0 0.0 3.52 1252 961 A 62 ARG H A 62 ARG HG2 1.0 0.0 4.34 1253 961 A 62 ARG HG3 A 62 ARG H 1.0 0.0 4.34 1254 961 A 28 VAL H A 27 ARG HBx 1.0 0.0 4.34 1255 962 A 62 ARG H A 62 ARG HG2 1.0 0.0 4.40 1256 962 A 62 ARG HG3 A 62 ARG H 1.0 0.0 4.40 1257 963 A 28 VAL HGx% A 19 TYR HD% 1.0 0.0 3.53 1258 964 A 64 LEU H A 64 LEU HBx 1.0 0.0 3.63 1259 965 A 43 LEU H A 43 LEU HBy 1.0 0.0 3.91 1260 966 A 19 TYR HBx A 20 ALA H 1.0 0.0 4.09 1261 967 A 51 ILE H A 51 ILE HG1x 1.0 0.0 4.64 1262 967 A 51 ILE H A 18 LEU HDx% 1.0 0.0 4.64 1263 968 A 51 ILE HB A 51 ILE H 1.0 0.0 3.61 1264 969 A 47 LEU HDx% A 19 TYR HD% 1.0 0.0 4.17 1265 970 A 23 LEU HDy% A 34 PHE HE% 1.0 0.0 4.18 1266 971 A 44 ALA HB% A 34 PHE HE% 1.0 0.0 3.55 1267 971 A 43 LEU HBx A 34 PHE HE% 1.0 0.0 3.55 1268 972 A 23 LEU HG A 34 PHE HE% 1.0 0.0 4.37 1269 973 A 43 LEU HBy A 34 PHE HE% 1.0 0.0 3.98 1270 974 A 39 GLY HAy A 34 PHE HD% 1.0 0.0 4.67 1271 975 A 59 LEU H A 48 ILE HG2% 1.0 0.0 4.43 1272 976 A 34 PHE H A 34 PHE HBx 1.0 0.0 3.98 1273 977 A 19 TYR HA A 19 TYR HD% 1.0 0.0 3.38 1274 978 A 35 HIS HA A 35 HIS HD2 1.0 0.0 4.73 1275 979 A 35 HIS HD2 A 35 HIS HBx 1.0 0.0 3.40 1276 980 A 33 ALA HB% A 35 HIS HD2 1.0 0.0 5.10 1277 981 A 35 HIS HD2 A 36 ASP HB3 1.0 0.0 4.99 1278 982 A 61 ILE H A 61 ILE HG1x 1.0 0.0 5.02 1279 982 A 48 ILE HG2% A 61 ILE H 1.0 0.0 5.02 1280 983 A 61 ILE HB A 61 ILE H 1.0 0.0 3.61 1281 984 A 47 LEU H A 47 LEU HDy% 1.0 0.0 4.65 1282 984 A 47 LEU H A 22 ILE HD1% 1.0 0.0 4.65 1283 985 A 47 LEU H A 48 ILE HD1% 1.0 0.0 4.95 1284 986 A 67 SER H A 66 SER HB2 1.0 0.0 3.82 1285 987 A 22 ILE HG2% A 34 PHE HZ 1.0 0.0 4.15 1286 988 A 44 ALA HB% A 34 PHE HZ 1.0 0.0 4.30 1287 988 A 43 LEU HBx A 34 PHE HZ 1.0 0.0 4.30 1288 989 A 43 LEU HBy A 34 PHE HZ 1.0 0.0 4.26 1289 990 A 39 GLY HAy A 34 PHE HE% 1.0 0.0 4.52 1290 991 A 64 LEU HDy% A 73 VAL HGy% 1.0 0.0 3.60 1291 992 A 64 LEU HDy% A 44 ALA HB% 1.0 0.0 4.27 1292 993 A 64 LEU HD1% A 44 ALA HB% 1.0 0.0 3.34 1293 994 A 23 LEU HDx% A 22 ILE HG2% 1.0 0.0 4.02 1294 995 A 48 ILE HD1% A 48 ILE HG2% 1.0 0.0 3.27 1295 996 A 51 ILE HD1% A 48 ILE HG2% 1.0 0.0 4.18 1296 997 A 23 LEU HDx% A 43 LEU HD2% 1.0 0.0 4.02 1297 997 A 23 LEU HDx% A 37 LEU HDy% 1.0 0.0 4.02 1298 998 A 47 LEU HDx% A 51 ILE HD1% 1.0 0.0 3.76 1299 999 A 47 LEU HDy% A 22 ILE HG2% 1.0 0.0 3.50 1300 999 A 22 ILE HD1% A 22 ILE HG2% 1.0 0.0 3.50 1301 1000 A 43 LEU HD2% A 22 ILE HG2% 1.0 0.0 3.50 1302 1001 A 34 PHE HA A 34 PHE HE% 1.0 0.0 4.43 1303 1001 A 19 TYR HA A 34 PHE HE% 1.0 0.0 4.43 1304 1002 A 52 ARG H A 51 ILE HG2% 1.0 0.0 4.03 1305 1002 A 28 VAL HGy% A 20 ALA H 1.0 0.0 4.03 1306 1003 A 15 LEU HD1% A 14 VAL H 1.0 0.0 4.80 1307 1004 A 28 VAL HGy% A 27 ARG HA 1.0 0.0 3.81 1308 1005 A 64 LEU HBy A 65 PHE H 1.0 0.0 3.88 1309 1006 A 60 PRO HBy A 63 GLN H 1.0 0.0 4.38 1310 1007 A 27 ARG HA A 27 ARG HD3 1.0 0.0 4.37 1311 1007 A 27 ARG HA A 27 ARG HD2 1.0 0.0 4.37 1312 1008 A 35 HIS HA A 35 HIS HBy 1.0 0.0 2.96 1313 1008 A 35 HIS HA A 35 HIS HBx 1.0 0.0 2.96 1314 1009 A 89 PHE HA A 89 PHE HD% 1.0 0.0 3.84 1315 1010 A 64 LEU H A 59 LEU HDy% 1.0 0.0 5.34 1316 1011 A 28 VAL HGx% A 32 ASP H 1.0 0.0 4.28 1317 1012 A 69 THR HG2% A 32 ASP H 1.0 0.0 4.78 1318 1012 A 28 VAL HGx% A 32 ASP H 1.0 0.0 4.78 1319 1012 A 46 ARG H A 22 ILE HG2% 1.0 0.0 4.78 1320 1013 A 77 LEU H A 76 ALA H 1.0 0.0 3.84 1321 1013 A 23 LEU H A 24 GLY H 1.0 0.0 3.84 1322 1014 A 33 ALA HB% A 68 PRO HBy 1.0 0.0 5.13 1323 1015 A 33 ALA HB% A 68 PRO HBx 1.0 0.0 3.94 1324 1016 A 14 VAL HB A 55 LEU HDx% 1.0 0.0 4.03 1325 1017 A 14 VAL HGx% A 17 ALA HB% 1.0 0.0 4.29 1326 1018 A 55 LEU HBy A 55 LEU HDx% 1.0 0.0 3.79 1327 1019 A 11 THR HA A 55 LEU HDx% 1.0 0.0 3.94 1328 1020 A 55 LEU HDx% A 55 LEU HA 1.0 0.0 3.00 1329 1021 A 73 VAL HGy% A 76 ALA HB% 1.0 0.0 4.88 1330 1021 A 14 VAL HGy% A 10 ALA HB% 1.0 0.0 4.88 1331 1022 A 51 ILE HA A 55 LEU HDy% 1.0 0.0 4.08 1332 1022 A 51 ILE HA A 51 ILE HG2% 1.0 0.0 4.08 1333 1022 A 18 LEU HDy% A 51 ILE HA 1.0 0.0 4.08 1334 1023 A 64 LEU H A 65 PHE HBx 1.0 0.0 5.05 1335 1024 A 43 LEU HD1% A 43 LEU H 1.0 0.0 4.35 1336 1025 A 10 ALA HA A 13 LYS HE2 1.0 0.0 5.23 1337 1025 A 13 LYS HE3 A 10 ALA HA 1.0 0.0 5.23 1338 1026 A 51 ILE HD1% A 60 PRO HD2 1.0 0.0 5.20 1339 1027 A 51 ILE HG1x A 51 ILE HA 1.0 0.0 3.42 1340 1028 A 51 ILE HA A 54 GLU HBx 1.0 0.0 4.22 1341 1029 A 51 ILE HG1y A 51 ILE HA 1.0 0.0 3.17 1342 1030 A 52 ARG HD2 A 58 ASP HA 1.0 0.0 5.33 1343 1031 A 51 ILE HA A 55 LEU H 1.0 0.0 4.61 1344 1032 A 58 ASP H A 57 VAL HA 1.0 0.0 3.18 1345 1033 A 60 PRO HD2 A 59 LEU HA 1.0 0.0 3.63 1346 1034 A 45 MET HGy A 42 ALA HA 1.0 0.0 4.47 1347 1035 A 64 LEU HDy% A 64 LEU HA 1.0 0.0 3.47 1348 1036 A 64 LEU HD1% A 64 LEU HA 1.0 0.0 4.05 1349 1037 A 19 TYR HA A 47 LEU HDx% 1.0 0.0 4.90 1350 1038 A 47 LEU HA A 47 LEU HDx% 1.0 0.0 4.42 1351 1039 A 34 PHE H A 69 THR HA 1.0 0.0 4.77 1352 1040 A 35 HIS HD2 A 36 ASP HA 1.0 0.0 4.37 1353 1041 A 55 LEU H A 56 GLY HA3 1.0 0.0 4.71 1354 1041 A 56 GLY HA2 A 55 LEU H 1.0 0.0 4.71 1355 1042 A 19 TYR HA A 22 ILE H 1.0 0.0 4.34 1356 1043 A 19 TYR H A 19 TYR HD% 1.0 0.0 3.58 1357 1044 A 47 LEU HDx% A 47 LEU HBx 1.0 0.0 4.06 1358 1045 A 64 LEU HDy% A 64 LEU HBx 1.0 0.0 3.68 1359 1046 A 64 LEU HD1% A 59 LEU HDx% 1.0 0.0 4.01 1360 1046 A 64 LEU HD1% A 48 ILE HD1% 1.0 0.0 4.01 1361 1046 A 47 LEU HDx% A 48 ILE HD1% 1.0 0.0 4.01 1362 1047 A 64 LEU HD1% A 48 ILE HD1% 1.0 0.0 3.16 1363 1048 A 64 LEU HD1% A 64 LEU HBx 1.0 0.0 3.83 1364 1049 A 71 ALA HB% A 30 VAL HG2% 1.0 0.0 3.37 1365 1049 A 71 ALA HB% A 30 VAL HG1% 1.0 0.0 3.37 1366 1050 A 53 GLU HA A 53 GLU HGy 1.0 0.0 3.69 1367 1051 A 51 ILE HD1% A 59 LEU HA 1.0 0.0 4.58 1368 1052 A 57 VAL HA A 57 VAL HGy% 1.0 0.0 3.59 1369 1052 A 57 VAL HGx% A 57 VAL HA 1.0 0.0 3.59 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _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 2 ALA C A 3 MET N A 3 MET CA A 3 MET C 1.0 -104.5 -53.7 PHI 2 2 A 3 MET N A 3 MET CA A 3 MET C A 4 ALA N 1.0 116.5 153.3 PSI 3 3 A 3 MET C A 4 ALA N A 4 ALA CA A 4 ALA C 1.0 -87.7 -52.9 PHI 4 4 A 4 ALA N A 4 ALA CA A 4 ALA C A 5 LYS N 1.0 118.1 160.5 PSI 5 5 A 4 ALA C A 5 LYS N A 5 LYS CA A 5 LYS C 1.0 -96.2 -53.2 PHI 6 6 A 5 LYS N A 5 LYS CA A 5 LYS C A 6 ALA N 1.0 99.7 166.3 PSI 7 7 A 5 LYS C A 6 ALA N A 6 ALA CA A 6 ALA C 1.0 -93.0 -44.0 PHI 8 8 A 6 ALA N A 6 ALA CA A 6 ALA C A 7 PRO N 1.0 111.5 158.9 PSI 9 9 A 7 PRO C A 8 GLU N A 8 GLU CA A 8 GLU C 1.0 -99.6 -44.0 PHI 10 10 A 8 GLU N A 8 GLU CA A 8 GLU C A 9 SER N 1.0 103.7 175.1 PSI 11 11 A 8 GLU C A 9 SER N A 9 SER CA A 9 SER C 1.0 -162.6 -20.6 PHI 12 12 A 9 SER N A 9 SER CA A 9 SER C A 10 ALA N 1.0 149.1 178.7 PSI 13 13 A 9 SER C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -71.2 -50.0 PHI 14 14 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 THR N 1.0 -46.9 -26.7 PSI 15 15 A 10 ALA C A 11 THR N A 11 THR CA A 11 THR C 1.0 -74.5 -54.5 PHI 16 16 A 11 THR N A 11 THR CA A 11 THR C A 12 GLU N 1.0 -53.3 -33.3 PSI 17 17 A 11 THR C A 12 GLU N A 12 GLU CA A 12 GLU C 1.0 -73.2 -53.2 PHI 18 18 A 12 GLU N A 12 GLU CA A 12 GLU C A 13 LYS N 1.0 -51.8 -31.8 PSI 19 19 A 12 GLU C A 13 LYS N A 13 LYS CA A 13 LYS C 1.0 -73.8 -53.8 PHI 20 20 A 13 LYS N A 13 LYS CA A 13 LYS C A 14 VAL N 1.0 -51.1 -31.1 PSI 21 21 A 13 LYS C A 14 VAL N A 14 VAL CA A 14 VAL C 1.0 -75.1 -55.1 PHI 22 22 A 14 VAL N A 14 VAL CA A 14 VAL C A 15 LEU N 1.0 -53.4 -33.4 PSI 23 23 A 14 VAL C A 15 LEU N A 15 LEU CA A 15 LEU C 1.0 -73.0 -53.0 PHI 24 24 A 15 LEU N A 15 LEU CA A 15 LEU C A 16 CYS N 1.0 -51.9 -30.5 PSI 25 25 A 15 LEU C A 16 CYS N A 16 CYS CA A 16 CYS C 1.0 -73.9 -53.9 PHI 26 26 A 16 CYS N A 16 CYS CA A 16 CYS C A 17 ALA N 1.0 -50.2 -30.2 PSI 27 27 A 16 CYS C A 17 ALA N A 17 ALA CA A 17 ALA C 1.0 -76.1 -56.1 PHI 28 28 A 17 ALA N A 17 ALA CA A 17 ALA C A 18 LEU N 1.0 -49.3 -29.3 PSI 29 29 A 17 ALA C A 18 LEU N A 18 LEU CA A 18 LEU C 1.0 -74.7 -54.7 PHI 30 30 A 18 LEU N A 18 LEU CA A 18 LEU C A 19 TYR N 1.0 -52.8 -32.8 PSI 31 31 A 18 LEU C A 19 TYR N A 19 TYR CA A 19 TYR C 1.0 -70.8 -50.8 PHI 32 32 A 19 TYR N A 19 TYR CA A 19 TYR C A 20 ALA N 1.0 -56.1 -36.1 PSI 33 33 A 19 TYR C A 20 ALA N A 20 ALA CA A 20 ALA C 1.0 -72.5 -52.5 PHI 34 34 A 20 ALA N A 20 ALA CA A 20 ALA C A 21 GLU N 1.0 -48.5 -28.5 PSI 35 35 A 20 ALA C A 21 GLU N A 21 GLU CA A 21 GLU C 1.0 -73.8 -53.8 PHI 36 36 A 21 GLU N A 21 GLU CA A 21 GLU C A 22 ILE N 1.0 -53.9 -33.9 PSI 37 37 A 21 GLU C A 22 ILE N A 22 ILE CA A 22 ILE C 1.0 -82.8 -56.8 PHI 38 38 A 22 ILE N A 22 ILE CA A 22 ILE C A 23 LEU N 1.0 -46.3 -22.3 PSI 39 39 A 22 ILE C A 23 LEU N A 23 LEU CA A 23 LEU C 1.0 -101.3 -71.9 PHI 40 40 A 23 LEU N A 23 LEU CA A 23 LEU C A 24 GLY N 1.0 -27.6 0.8 PSI 41 41 A 23 LEU C A 24 GLY N A 24 GLY CA A 24 GLY C 1.0 57.9 86.7 PHI 42 42 A 24 GLY N A 24 GLY CA A 24 GLY C A 25 VAL N 1.0 11.2 53.2 PSI 43 43 A 24 GLY C A 25 VAL N A 25 VAL CA A 25 VAL C 1.0 -138.4 -100.2 PHI 44 44 A 25 VAL N A 25 VAL CA A 25 VAL C A 26 GLU N 1.0 142.7 178.3 PSI 45 45 A 25 VAL C A 26 GLU N A 26 GLU CA A 26 GLU C 1.0 -113.1 -42.5 PHI 46 46 A 26 GLU N A 26 GLU CA A 26 GLU C A 27 ARG N 1.0 -74.2 8.6 PSI 47 47 A 26 GLU C A 27 ARG N A 27 ARG CA A 27 ARG C 1.0 -174.8 -105.0 PHI 48 48 A 27 ARG N A 27 ARG CA A 27 ARG C A 28 VAL N 1.0 124.4 171.6 PSI 49 49 A 27 ARG C A 28 VAL N A 28 VAL CA A 28 VAL C 1.0 -156.6 -90.0 PHI 50 50 A 28 VAL N A 28 VAL CA A 28 VAL C A 29 GLY N 1.0 103.1 153.1 PSI 51 51 A 28 VAL C A 29 GLY N A 29 GLY CA A 29 GLY C 1.0 -130.0 -48.4 PHI 52 52 A 29 GLY N A 29 GLY CA A 29 GLY C A 30 VAL N 1.0 140.9 209.7 PSI 53 53 A 29 GLY C A 30 VAL N A 30 VAL CA A 30 VAL C 1.0 -77.3 -53.7 PHI 54 54 A 30 VAL N A 30 VAL CA A 30 VAL C A 31 ASP N 1.0 -38.4 -3.8 PSI 55 55 A 30 VAL C A 31 ASP N A 31 ASP CA A 31 ASP C 1.0 -117.5 -75.7 PHI 56 56 A 31 ASP N A 31 ASP CA A 31 ASP C A 32 ASP N 1.0 -16.6 18.4 PSI 57 57 A 31 ASP C A 32 ASP N A 32 ASP CA A 32 ASP C 1.0 -83.7 -55.9 PHI 58 58 A 32 ASP N A 32 ASP CA A 32 ASP C A 33 ALA N 1.0 121.0 164.4 PSI 59 59 A 32 ASP C A 33 ALA N A 33 ALA CA A 33 ALA C 1.0 -96.9 -51.1 PHI 60 60 A 33 ALA N A 33 ALA CA A 33 ALA C A 34 PHE N 1.0 115.8 170.6 PSI 61 61 A 34 PHE C A 35 HIS N A 35 HIS CA A 35 HIS C 1.0 -87.4 -43.6 PHI 62 62 A 35 HIS N A 35 HIS CA A 35 HIS C A 36 ASP N 1.0 -54.9 4.3 PSI 63 63 A 35 HIS C A 36 ASP N A 36 ASP CA A 36 ASP C 1.0 -95.6 -51.6 PHI 64 64 A 36 ASP N A 36 ASP CA A 36 ASP C A 37 LEU N 1.0 -36.9 2.9 PSI 65 65 A 36 ASP C A 37 LEU N A 37 LEU CA A 37 LEU C 1.0 -110.9 -70.5 PHI 66 66 A 37 LEU N A 37 LEU CA A 37 LEU C A 38 GLY N 1.0 -19.7 21.5 PSI 67 67 A 37 LEU C A 38 GLY N A 38 GLY CA A 38 GLY C 1.0 69.3 106.9 PHI 68 68 A 38 GLY N A 38 GLY CA A 38 GLY C A 39 GLY N 1.0 -8.9 33.9 PSI 69 69 A 39 GLY C A 40 SER N A 40 SER CA A 40 SER C 1.0 -163.5 -64.1 PHI 70 70 A 40 SER N A 40 SER CA A 40 SER C A 41 SER N 1.0 132.3 174.3 PSI 71 71 A 41 SER C A 42 ALA N A 42 ALA CA A 42 ALA C 1.0 -72.0 -46.2 PHI 72 72 A 42 ALA N A 42 ALA CA A 42 ALA C A 43 LEU N 1.0 -52.6 -23.2 PSI 73 73 A 42 ALA C A 43 LEU N A 43 LEU CA A 43 LEU C 1.0 -83.3 -55.9 PHI 74 74 A 43 LEU N A 43 LEU CA A 43 LEU C A 44 ALA N 1.0 -48.2 -27.8 PSI 75 75 A 43 LEU C A 44 ALA N A 44 ALA CA A 44 ALA C 1.0 -72.7 -52.7 PHI 76 76 A 44 ALA N A 44 ALA CA A 44 ALA C A 45 MET N 1.0 -51.7 -31.7 PSI 77 77 A 44 ALA C A 45 MET N A 45 MET CA A 45 MET C 1.0 -75.3 -55.3 PHI 78 78 A 45 MET N A 45 MET CA A 45 MET C A 46 ARG N 1.0 -47.4 -27.4 PSI 79 79 A 45 MET C A 46 ARG N A 46 ARG CA A 46 ARG C 1.0 -76.7 -56.7 PHI 80 80 A 46 ARG N A 46 ARG CA A 46 ARG C A 47 LEU N 1.0 -51.5 -31.5 PSI 81 81 A 46 ARG C A 47 LEU N A 47 LEU CA A 47 LEU C 1.0 -74.1 -54.1 PHI 82 82 A 47 LEU N A 47 LEU CA A 47 LEU C A 48 ILE N 1.0 -53.2 -33.2 PSI 83 83 A 47 LEU C A 48 ILE N A 48 ILE CA A 48 ILE C 1.0 -72.2 -52.2 PHI 84 84 A 48 ILE N A 48 ILE CA A 48 ILE C A 49 ALA N 1.0 -50.3 -30.3 PSI 85 85 A 48 ILE C A 49 ALA N A 49 ALA CA A 49 ALA C 1.0 -74.7 -54.7 PHI 86 86 A 49 ALA N A 49 ALA CA A 49 ALA C A 50 ARG N 1.0 -51.3 -31.3 PSI 87 87 A 49 ALA C A 50 ARG N A 50 ARG CA A 50 ARG C 1.0 -77.5 -57.5 PHI 88 88 A 50 ARG N A 50 ARG CA A 50 ARG C A 51 ILE N 1.0 -47.7 -27.7 PSI 89 89 A 50 ARG C A 51 ILE N A 51 ILE CA A 51 ILE C 1.0 -75.5 -55.5 PHI 90 90 A 51 ILE N A 51 ILE CA A 51 ILE C A 52 ARG N 1.0 -52.0 -32.0 PSI 91 91 A 51 ILE C A 52 ARG N A 52 ARG CA A 52 ARG C 1.0 -73.6 -53.6 PHI 92 92 A 52 ARG N A 52 ARG CA A 52 ARG C A 53 GLU N 1.0 -52.6 -30.6 PSI 93 93 A 52 ARG C A 53 GLU N A 53 GLU CA A 53 GLU C 1.0 -86.0 -58.2 PHI 94 94 A 53 GLU N A 53 GLU CA A 53 GLU C A 54 GLU N 1.0 -54.0 -24.8 PSI 95 95 A 53 GLU C A 54 GLU N A 54 GLU CA A 54 GLU C 1.0 -106.9 -72.7 PHI 96 96 A 54 GLU N A 54 GLU CA A 54 GLU C A 55 LEU N 1.0 -53.2 -2.4 PSI 97 97 A 54 GLU C A 55 LEU N A 55 LEU CA A 55 LEU C 1.0 -131.0 -91.4 PHI 98 98 A 55 LEU N A 55 LEU CA A 55 LEU C A 56 GLY N 1.0 -29.1 3.9 PSI 99 99 A 55 LEU C A 56 GLY N A 56 GLY CA A 56 GLY C 1.0 53.9 81.1 PHI 100 100 A 56 GLY N A 56 GLY CA A 56 GLY C A 57 VAL N 1.0 17.1 52.7 PSI 101 101 A 56 GLY C A 57 VAL N A 57 VAL CA A 57 VAL C 1.0 -146.0 -106.8 PHI 102 102 A 57 VAL N A 57 VAL CA A 57 VAL C A 58 ASP N 1.0 127.5 173.9 PSI 103 103 A 57 VAL C A 58 ASP N A 58 ASP CA A 58 ASP C 1.0 -128.4 -58.6 PHI 104 104 A 58 ASP N A 58 ASP CA A 58 ASP C A 59 LEU N 1.0 84.8 154.6 PSI 105 105 A 58 ASP C A 59 LEU N A 59 LEU CA A 59 LEU C 1.0 -148.2 -56.6 PHI 106 106 A 59 LEU N A 59 LEU CA A 59 LEU C A 60 PRO N 1.0 106.0 166.0 PSI 107 107 A 60 PRO C A 61 ILE N A 61 ILE CA A 61 ILE C 1.0 -69.7 -47.5 PHI 108 108 A 61 ILE N A 61 ILE CA A 61 ILE C A 62 ARG N 1.0 -49.8 -26.4 PSI 109 109 A 61 ILE C A 62 ARG N A 62 ARG CA A 62 ARG C 1.0 -72.4 -52.4 PHI 110 110 A 62 ARG N A 62 ARG CA A 62 ARG C A 63 GLN N 1.0 -47.9 -24.1 PSI 111 111 A 62 ARG C A 63 GLN N A 63 GLN CA A 63 GLN C 1.0 -77.7 -57.7 PHI 112 112 A 63 GLN N A 63 GLN CA A 63 GLN C A 64 LEU N 1.0 -48.8 -28.8 PSI 113 113 A 63 GLN C A 64 LEU N A 64 LEU CA A 64 LEU C 1.0 -76.2 -56.2 PHI 114 114 A 64 LEU N A 64 LEU CA A 64 LEU C A 65 PHE N 1.0 -54.2 -27.6 PSI 115 115 A 64 LEU C A 65 PHE N A 65 PHE CA A 65 PHE C 1.0 -78.5 -58.5 PHI 116 116 A 65 PHE N A 65 PHE CA A 65 PHE C A 66 SER N 1.0 -47.1 -18.5 PSI 117 117 A 65 PHE C A 66 SER N A 66 SER CA A 66 SER C 1.0 -94.8 -56.4 PHI 118 118 A 66 SER N A 66 SER CA A 66 SER C A 67 SER N 1.0 -53.0 -1.0 PSI 119 119 A 66 SER C A 67 SER N A 67 SER CA A 67 SER C 1.0 -159.7 -112.7 PHI 120 120 A 67 SER N A 67 SER CA A 67 SER C A 68 PRO N 1.0 33.9 143.1 PSI 121 121 A 68 PRO C A 69 THR N A 69 THR CA A 69 THR C 1.0 -135.6 -34.4 PHI 122 122 A 69 THR N A 69 THR CA A 69 THR C A 70 PRO N 1.0 124.6 184.8 PSI 123 123 A 70 PRO C A 71 ALA N A 71 ALA CA A 71 ALA C 1.0 -75.2 -55.2 PHI 124 124 A 71 ALA N A 71 ALA CA A 71 ALA C A 72 GLY N 1.0 -49.8 -29.4 PSI 125 125 A 71 ALA C A 72 GLY N A 72 GLY CA A 72 GLY C 1.0 -74.8 -54.8 PHI 126 126 A 72 GLY N A 72 GLY CA A 72 GLY C A 73 VAL N 1.0 -51.5 -31.5 PSI 127 127 A 72 GLY C A 73 VAL N A 73 VAL CA A 73 VAL C 1.0 -73.4 -53.4 PHI 128 128 A 73 VAL N A 73 VAL CA A 73 VAL C A 74 ALA N 1.0 -53.4 -33.4 PSI 129 129 A 73 VAL C A 74 ALA N A 74 ALA CA A 74 ALA C 1.0 -71.4 -51.4 PHI 130 130 A 74 ALA N A 74 ALA CA A 74 ALA C A 75 ARG N 1.0 -51.3 -31.3 PSI 131 131 A 74 ALA C A 75 ARG N A 75 ARG CA A 75 ARG C 1.0 -75.1 -55.1 PHI 132 132 A 75 ARG N A 75 ARG CA A 75 ARG C A 76 ALA N 1.0 -53.0 -32.2 PSI 133 133 A 75 ARG C A 76 ALA N A 76 ALA CA A 76 ALA C 1.0 -75.1 -55.1 PHI 134 134 A 76 ALA N A 76 ALA CA A 76 ALA C A 77 LEU N 1.0 -50.2 -30.2 PSI 135 135 A 76 ALA C A 77 LEU N A 77 LEU CA A 77 LEU C 1.0 -77.9 -57.9 PHI 136 136 A 77 LEU N A 77 LEU CA A 77 LEU C A 78 ALA N 1.0 -46.6 -26.6 PSI 137 137 A 77 LEU C A 78 ALA N A 78 ALA CA A 78 ALA C 1.0 -77.5 -57.5 PHI 138 138 A 78 ALA N A 78 ALA CA A 78 ALA C A 79 ALA N 1.0 -45.0 -22.8 PSI 139 139 A 78 ALA C A 79 ALA N A 79 ALA CA A 79 ALA C 1.0 -78.3 -58.3 PHI 140 140 A 79 ALA N A 79 ALA CA A 79 ALA C A 80 LYS N 1.0 -45.1 -15.7 PSI 141 141 A 79 ALA C A 80 LYS N A 80 LYS CA A 80 LYS C 1.0 -88.1 -55.3 PHI 142 142 A 80 LYS N A 80 LYS CA A 80 LYS C A 81 SER N 1.0 -39.5 -9.7 PSI 143 143 A 80 LYS C A 81 SER N A 81 SER CA A 81 SER C 1.0 -102.8 -66.0 PHI 144 144 A 81 SER N A 81 SER CA A 81 SER C A 82 ALA N 1.0 -30.9 10.1 PSI 145 145 A 82 ALA C A 83 SER N A 83 SER CA A 83 SER C 1.0 -120.8 -45.8 PHI 146 146 A 83 SER N A 83 SER CA A 83 SER C A 84 TRP N 1.0 -54.9 24.9 PSI 147 147 A 85 SER C A 86 HIS N A 86 HIS CA A 86 HIS C 1.0 -83.5 -53.9 PHI 148 148 A 86 HIS N A 86 HIS CA A 86 HIS C A 87 PRO N 1.0 120.4 152.2 PSI 149 149 A 88 GLN C A 89 PHE N A 89 PHE CA A 89 PHE C 1.0 -104.8 -61.6 PHI 150 150 A 89 PHE N A 89 PHE CA A 89 PHE C A 90 GLU N 1.0 117.8 162.0 PSI stop_ save_