data_nef_c11597_2rvf save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2RVF 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 -6 GLY start . false 2 A -5 SER middle . . 3 A -4 SER middle . . 4 A -3 GLY middle . false 5 A -2 SER middle . . 6 A -1 SER middle . . 7 A 0 GLY middle . false 8 A 1 MET middle . . 9 A 2 ALA middle . . 10 A 3 GLU middle . . 11 A 4 ALA middle . . 12 A 5 ALA middle . . 13 A 6 ALA middle . . 14 A 7 PRO middle . false 15 A 8 TRP middle . . 16 A 9 TYR middle . . 17 A 10 HIS middle . . 18 A 11 GLY middle . false 19 A 12 PRO middle . false 20 A 13 LEU middle . . 21 A 14 SER middle . . 22 A 15 ARG middle . . 23 A 16 THR middle . . 24 A 17 ASP middle . . 25 A 18 ALA middle . . 26 A 19 GLU middle . . 27 A 20 ASN middle . . 28 A 21 SER middle . . 29 A 22 LEU middle . . 30 A 23 LEU middle . . 31 A 24 ARG middle . . 32 A 25 MET middle . . 33 A 26 PRO middle . false 34 A 27 GLU middle . . 35 A 28 GLY middle . false 36 A 29 THR middle . . 37 A 30 PHE middle . . 38 A 31 LEU middle . . 39 A 32 VAL middle . . 40 A 33 ARG middle . . 41 A 34 ASP middle . . 42 A 35 SER middle . . 43 A 36 THR middle . . 44 A 37 SER middle . . 45 A 38 SER middle . . 46 A 39 PRO middle . false 47 A 40 GLY middle . false 48 A 41 ASP middle . . 49 A 42 TYR middle . . 50 A 43 VAL middle . . 51 A 44 LEU middle . . 52 A 45 SER middle . . 53 A 46 CYS middle . . 54 A 47 SER middle . . 55 A 48 GLU middle . . 56 A 49 ASN middle . . 57 A 50 GLY middle . false 58 A 51 LYS middle . . 59 A 52 VAL middle . . 60 A 53 THR middle . . 61 A 54 HIS middle . . 62 A 55 TYR middle . . 63 A 56 LYS middle . . 64 A 57 LEU middle . . 65 A 58 SER middle . . 66 A 59 ALA middle . . 67 A 60 GLU middle . . 68 A 61 GLU middle . . 69 A 62 GLY middle . false 70 A 63 LYS middle . . 71 A 64 ILE middle . . 72 A 65 ARG middle . . 73 A 66 ILE middle . . 74 A 67 ASP middle . . 75 A 68 THR middle . . 76 A 69 HIS middle . . 77 A 70 LEU middle . . 78 A 71 PHE middle . . 79 A 72 ASP middle . . 80 A 73 ASN middle . . 81 A 74 LEU middle . . 82 A 75 ASP middle . . 83 A 76 ALA middle . . 84 A 77 ALA middle . . 85 A 78 ILE middle . . 86 A 79 THR middle . . 87 A 80 PHE middle . . 88 A 81 TYR middle . . 89 A 82 MET middle . . 90 A 83 GLU middle . . 91 A 84 HIS middle . . 92 A 85 GLU middle . . 93 A 86 LEU middle . . 94 A 87 GLU middle . . 95 A 88 TYR middle . . 96 A 89 SER middle . . 97 A 90 SER middle . . 98 A 91 LEU middle . . 99 A 92 LYS middle . . 100 A 93 GLN middle . . 101 A 94 PRO middle . false 102 A 95 LEU middle . . 103 A 96 GLN middle . . 104 A 97 ARG 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 GLY HA2 H 1 4.047 0.030 A -3 GLY HA3 H 1 4.047 0.030 A -3 GLY C C 13 174.400 0.300 A -3 GLY CA C 13 45.452 0.300 A -2 SER H H 1 8.297 0.030 A -2 SER HA H 1 4.547 0.030 A -2 SER HB2 H 1 3.897 0.030 A -2 SER HB3 H 1 3.897 0.030 A -2 SER C C 13 174.847 0.300 A -2 SER CA C 13 58.412 0.300 A -2 SER CB C 13 63.931 0.300 A -2 SER N N 15 115.849 0.300 A -1 SER H H 1 8.451 0.030 A -1 SER HA H 1 4.501 0.030 A -1 SER HB2 H 1 3.942 0.030 A -1 SER HB3 H 1 3.942 0.030 A -1 SER C C 13 175.080 0.300 A -1 SER CA C 13 58.809 0.300 A -1 SER CB C 13 63.870 0.300 A -1 SER N N 15 117.877 0.300 A 0 GLY H H 1 8.436 0.030 A 0 GLY HA2 H 1 4.004 0.030 A 0 GLY HA3 H 1 4.004 0.030 A 0 GLY C C 13 174.167 0.300 A 0 GLY CA C 13 45.504 0.300 A 0 GLY N N 15 110.719 0.300 A 1 MET H H 1 8.158 0.030 A 1 MET HA H 1 4.486 0.030 A 1 MET HBx H 1 1.982 0.030 A 1 MET HBy H 1 2.058 0.030 A 1 MET HE% H 1 1.969 0.030 A 1 MET HGx H 1 2.496 0.030 A 1 MET HGy H 1 2.545 0.030 A 1 MET C C 13 176.206 0.300 A 1 MET CA C 13 55.582 0.300 A 1 MET CB C 13 32.986 0.300 A 1 MET CE C 13 17.061 0.300 A 1 MET CG C 13 32.107 0.300 A 1 MET N N 15 119.918 0.300 A 2 ALA H H 1 8.390 0.030 A 2 ALA HA H 1 4.259 0.030 A 2 ALA HB% H 1 1.361 0.030 A 2 ALA C C 13 178.049 0.300 A 2 ALA CA C 13 52.996 0.300 A 2 ALA CB C 13 19.049 0.300 A 2 ALA N N 15 125.406 0.300 A 3 GLU H H 1 8.467 0.030 A 3 GLU HA H 1 4.149 0.030 A 3 GLU HBx H 1 1.879 0.030 A 3 GLU HBy H 1 1.999 0.030 A 3 GLU HG2 H 1 2.237 0.030 A 3 GLU HG3 H 1 2.237 0.030 A 3 GLU C C 13 176.260 0.300 A 3 GLU CA C 13 57.010 0.300 A 3 GLU CB C 13 29.844 0.300 A 3 GLU CG C 13 36.538 0.300 A 3 GLU N N 15 119.927 0.300 A 4 ALA H H 1 8.038 0.030 A 4 ALA HA H 1 4.183 0.030 A 4 ALA HB% H 1 1.326 0.030 A 4 ALA C C 13 177.244 0.300 A 4 ALA CA C 13 52.680 0.300 A 4 ALA CB C 13 19.092 0.300 A 4 ALA N N 15 123.615 0.300 A 5 ALA H H 1 7.980 0.030 A 5 ALA HA H 1 4.252 0.030 A 5 ALA HB% H 1 1.360 0.030 A 5 ALA C C 13 177.011 0.300 A 5 ALA CA C 13 51.781 0.300 A 5 ALA CB C 13 19.573 0.300 A 5 ALA N N 15 121.663 0.300 A 6 ALA H H 1 7.957 0.030 A 6 ALA HA H 1 4.080 0.030 A 6 ALA HB% H 1 0.080 0.030 A 6 ALA C C 13 177.119 0.300 A 6 ALA CA C 13 50.318 0.300 A 6 ALA CB C 13 16.643 0.300 A 6 ALA N N 15 124.098 0.300 A 7 PRO HA H 1 4.229 0.030 A 7 PRO HB2 H 1 1.777 0.030 A 7 PRO HB3 H 1 2.403 0.030 A 7 PRO HD2 H 1 3.398 0.030 A 7 PRO HD3 H 1 3.683 0.030 A 7 PRO HG2 H 1 1.956 0.030 A 7 PRO HG3 H 1 2.146 0.030 A 7 PRO C C 13 175.509 0.300 A 7 PRO CA C 13 64.568 0.300 A 7 PRO CB C 13 32.126 0.300 A 7 PRO CD C 13 50.367 0.300 A 7 PRO CG C 13 27.728 0.300 A 8 TRP H H 1 5.875 0.030 A 8 TRP HA H 1 4.658 0.030 A 8 TRP HB2 H 1 3.658 0.030 A 8 TRP HB3 H 1 2.767 0.030 A 8 TRP HD1 H 1 7.401 0.030 A 8 TRP HE1 H 1 10.860 0.030 A 8 TRP HE3 H 1 7.284 0.030 A 8 TRP HH2 H 1 6.939 0.030 A 8 TRP HZ2 H 1 7.633 0.030 A 8 TRP HZ3 H 1 6.736 0.030 A 8 TRP C C 13 176.314 0.300 A 8 TRP CA C 13 53.372 0.300 A 8 TRP CB C 13 31.251 0.300 A 8 TRP CD1 C 13 128.675 0.300 A 8 TRP CE3 C 13 120.727 0.300 A 8 TRP CH2 C 13 125.373 0.300 A 8 TRP CZ2 C 13 115.861 0.300 A 8 TRP CZ3 C 13 120.660 0.300 A 8 TRP N N 15 106.534 0.300 A 8 TRP NE1 N 15 133.138 0.300 A 9 TYR H H 1 7.698 0.030 A 9 TYR HA H 1 5.421 0.030 A 9 TYR HB2 H 1 2.688 0.030 A 9 TYR HB3 H 1 2.895 0.030 A 9 TYR HD1 H 1 7.125 0.030 A 9 TYR HD2 H 1 7.125 0.030 A 9 TYR HE1 H 1 7.018 0.030 A 9 TYR HE2 H 1 7.018 0.030 A 9 TYR C C 13 174.865 0.300 A 9 TYR CA C 13 57.631 0.300 A 9 TYR CB C 13 37.581 0.300 A 9 TYR CD1 C 13 132.929 0.300 A 9 TYR CD2 C 13 132.929 0.300 A 9 TYR CE1 C 13 119.185 0.300 A 9 TYR CE2 C 13 119.185 0.300 A 9 TYR N N 15 123.710 0.300 A 10 HIS H H 1 9.333 0.030 A 10 HIS HA H 1 4.425 0.030 A 10 HIS HB2 H 1 2.674 0.030 A 10 HIS HB3 H 1 3.453 0.030 A 10 HIS HD2 H 1 7.077 0.030 A 10 HIS HE1 H 1 7.350 0.030 A 10 HIS C C 13 174.794 0.300 A 10 HIS CA C 13 56.080 0.300 A 10 HIS CB C 13 33.239 0.300 A 10 HIS CD2 C 13 116.810 0.300 A 10 HIS CE1 C 13 136.964 0.300 A 10 HIS N N 15 128.420 0.300 A 11 GLY H H 1 5.637 0.030 A 11 GLY HA2 H 1 3.463 0.030 A 11 GLY HA3 H 1 3.977 0.030 A 11 GLY C C 13 173.828 0.300 A 11 GLY CA C 13 46.167 0.300 A 11 GLY N N 15 105.769 0.300 A 12 PRO HA H 1 4.738 0.030 A 12 PRO HBx H 1 2.038 0.030 A 12 PRO HBy H 1 2.322 0.030 A 12 PRO HDx H 1 3.602 0.030 A 12 PRO HDy H 1 3.784 0.030 A 12 PRO HGx H 1 1.930 0.030 A 12 PRO HGy H 1 2.081 0.030 A 12 PRO C C 13 175.545 0.300 A 12 PRO CA C 13 63.499 0.300 A 12 PRO CB C 13 29.444 0.300 A 12 PRO CD C 13 50.444 0.300 A 12 PRO CG C 13 26.913 0.300 A 13 LEU H H 1 7.778 0.030 A 13 LEU HA H 1 4.378 0.030 A 13 LEU HB2 H 1 1.549 0.030 A 13 LEU HB3 H 1 1.512 0.030 A 13 LEU HD1% H 1 1.066 0.030 A 13 LEU HD2% H 1 0.801 0.030 A 13 LEU HG H 1 1.854 0.030 A 13 LEU C C 13 176.635 0.300 A 13 LEU CA C 13 55.108 0.300 A 13 LEU CB C 13 44.521 0.300 A 13 LEU CD1 C 13 25.053 0.300 A 13 LEU CD2 C 13 26.650 0.300 A 13 LEU CG C 13 26.605 0.300 A 13 LEU N N 15 126.678 0.300 A 14 SER H H 1 9.427 0.030 A 14 SER HA H 1 4.382 0.030 A 14 SER HBx H 1 4.134 0.030 A 14 SER HBy H 1 4.382 0.030 A 14 SER C C 13 174.364 0.300 A 14 SER CA C 13 57.816 0.300 A 14 SER CB C 13 65.381 0.300 A 14 SER N N 15 123.692 0.300 A 15 ARG H H 1 8.907 0.030 A 15 ARG HA H 1 3.532 0.030 A 15 ARG HB2 H 1 1.769 0.030 A 15 ARG HB3 H 1 1.769 0.030 A 15 ARG HD2 H 1 2.955 0.030 A 15 ARG HD3 H 1 2.955 0.030 A 15 ARG HGx H 1 0.845 0.030 A 15 ARG HGy H 1 1.262 0.030 A 15 ARG C C 13 178.049 0.300 A 15 ARG CA C 13 60.572 0.300 A 15 ARG CB C 13 29.905 0.300 A 15 ARG CD C 13 43.291 0.300 A 15 ARG CG C 13 27.497 0.300 A 15 ARG N N 15 121.868 0.300 A 16 THR H H 1 8.125 0.030 A 16 THR HA H 1 3.936 0.030 A 16 THR HB H 1 4.025 0.030 A 16 THR HG2% H 1 1.243 0.030 A 16 THR C C 13 176.224 0.300 A 16 THR CA C 13 66.221 0.300 A 16 THR CB C 13 68.829 0.300 A 16 THR CG2 C 13 21.860 0.300 A 16 THR N N 15 112.712 0.300 A 17 ASP H H 1 7.907 0.030 A 17 ASP HA H 1 4.489 0.030 A 17 ASP HBx H 1 2.664 0.030 A 17 ASP HBy H 1 2.741 0.030 A 17 ASP C C 13 179.444 0.300 A 17 ASP CA C 13 57.633 0.300 A 17 ASP CB C 13 40.162 0.300 A 17 ASP N N 15 122.651 0.300 A 18 ALA H H 1 8.603 0.030 A 18 ALA HA H 1 3.874 0.030 A 18 ALA HB% H 1 1.469 0.030 A 18 ALA C C 13 178.925 0.300 A 18 ALA CA C 13 55.559 0.300 A 18 ALA CB C 13 18.222 0.300 A 18 ALA N N 15 123.211 0.300 A 19 GLU H H 1 8.546 0.030 A 19 GLU HA H 1 3.971 0.030 A 19 GLU HB2 H 1 2.272 0.030 A 19 GLU HB3 H 1 2.147 0.030 A 19 GLU HG2 H 1 2.207 0.030 A 19 GLU HG3 H 1 2.845 0.030 A 19 GLU C C 13 177.977 0.300 A 19 GLU CA C 13 60.313 0.300 A 19 GLU CB C 13 28.606 0.300 A 19 GLU CG C 13 37.646 0.300 A 19 GLU N N 15 116.232 0.300 A 20 ASN H H 1 8.409 0.030 A 20 ASN HA H 1 4.469 0.030 A 20 ASN HBx H 1 2.850 0.030 A 20 ASN HBy H 1 2.961 0.030 A 20 ASN HD2y H 1 7.812 0.030 A 20 ASN HD2x H 1 6.896 0.030 A 20 ASN C C 13 178.174 0.300 A 20 ASN CA C 13 55.855 0.300 A 20 ASN CB C 13 38.189 0.300 A 20 ASN N N 15 116.085 0.300 A 20 ASN ND2 N 15 112.704 0.300 A 21 SER H H 1 7.902 0.030 A 21 SER HA H 1 4.317 0.030 A 21 SER HB2 H 1 3.793 0.030 A 21 SER HB3 H 1 3.793 0.030 A 21 SER C C 13 175.008 0.300 A 21 SER CA C 13 61.630 0.300 A 21 SER CB C 13 63.641 0.300 A 21 SER N N 15 113.665 0.300 A 22 LEU H H 1 7.626 0.030 A 22 LEU HA H 1 4.120 0.030 A 22 LEU HB2 H 1 1.801 0.030 A 22 LEU HB3 H 1 1.187 0.030 A 22 LEU HD1% H 1 0.629 0.030 A 22 LEU HD2% H 1 0.579 0.030 A 22 LEU HG H 1 1.546 0.030 A 22 LEU C C 13 178.156 0.300 A 22 LEU CA C 13 55.902 0.300 A 22 LEU CB C 13 44.328 0.300 A 22 LEU CD1 C 13 23.612 0.300 A 22 LEU CD2 C 13 27.004 0.300 A 22 LEU CG C 13 27.044 0.300 A 22 LEU N N 15 118.503 0.300 A 23 LEU H H 1 7.807 0.030 A 23 LEU HA H 1 3.891 0.030 A 23 LEU HBx H 1 1.602 0.030 A 23 LEU HBy H 1 1.769 0.030 A 23 LEU HD1% H 1 0.934 0.030 A 23 LEU HD2% H 1 0.934 0.030 A 23 LEU HG H 1 1.643 0.030 A 23 LEU C C 13 177.869 0.300 A 23 LEU CA C 13 57.934 0.300 A 23 LEU CB C 13 42.149 0.300 A 23 LEU CD1 C 13 24.302 0.300 A 23 LEU CD2 C 13 24.302 0.300 A 23 LEU CG C 13 27.098 0.300 A 23 LEU N N 15 121.573 0.300 A 24 ARG H H 1 8.216 0.030 A 24 ARG HA H 1 4.204 0.030 A 24 ARG HBx H 1 1.868 0.030 A 24 ARG HBy H 1 2.064 0.030 A 24 ARG HDx H 1 3.175 0.030 A 24 ARG HDy H 1 3.238 0.030 A 24 ARG HG2 H 1 1.588 0.030 A 24 ARG HG3 H 1 1.588 0.030 A 24 ARG C C 13 176.475 0.300 A 24 ARG CA C 13 56.232 0.300 A 24 ARG CB C 13 28.940 0.300 A 24 ARG CD C 13 43.272 0.300 A 24 ARG CG C 13 27.875 0.300 A 24 ARG N N 15 114.707 0.300 A 25 MET H H 1 7.678 0.030 A 25 MET HA H 1 5.088 0.030 A 25 MET HBx H 1 2.102 0.030 A 25 MET HBy H 1 2.189 0.030 A 25 MET HE% H 1 2.166 0.030 A 25 MET HGx H 1 2.601 0.030 A 25 MET HGy H 1 2.795 0.030 A 25 MET C C 13 174.972 0.300 A 25 MET CA C 13 52.530 0.300 A 25 MET CB C 13 30.359 0.300 A 25 MET CE C 13 17.983 0.300 A 25 MET CG C 13 33.800 0.300 A 25 MET N N 15 118.634 0.300 A 26 PRO HA H 1 4.403 0.030 A 26 PRO HB2 H 1 1.755 0.030 A 26 PRO HB3 H 1 2.422 0.030 A 26 PRO HD2 H 1 3.603 0.030 A 26 PRO HD3 H 1 3.979 0.030 A 26 PRO HG2 H 1 2.068 0.030 A 26 PRO HG3 H 1 2.068 0.030 A 26 PRO C C 13 176.653 0.300 A 26 PRO CA C 13 62.857 0.300 A 26 PRO CB C 13 32.526 0.300 A 26 PRO CD C 13 50.759 0.300 A 26 PRO CG C 13 27.728 0.300 A 27 GLU H H 1 8.834 0.030 A 27 GLU HA H 1 4.090 0.030 A 27 GLU HBx H 1 2.030 0.030 A 27 GLU HBy H 1 2.155 0.030 A 27 GLU HG2 H 1 2.460 0.030 A 27 GLU HG3 H 1 2.460 0.030 A 27 GLU C C 13 177.369 0.300 A 27 GLU CA C 13 57.989 0.300 A 27 GLU CB C 13 30.024 0.300 A 27 GLU CG C 13 36.971 0.300 A 27 GLU N N 15 125.661 0.300 A 28 GLY H H 1 9.682 0.030 A 28 GLY HA2 H 1 3.793 0.030 A 28 GLY HA3 H 1 4.448 0.030 A 28 GLY C C 13 175.938 0.300 A 28 GLY CA C 13 45.113 0.300 A 28 GLY N N 15 113.477 0.300 A 29 THR H H 1 8.151 0.030 A 29 THR HA H 1 5.700 0.030 A 29 THR HB H 1 3.965 0.030 A 29 THR HG1 H 1 6.551 0.030 A 29 THR HG2% H 1 1.226 0.030 A 29 THR C C 13 174.203 0.300 A 29 THR CA C 13 63.846 0.300 A 29 THR CB C 13 68.368 0.300 A 29 THR CG2 C 13 21.887 0.300 A 29 THR N N 15 122.155 0.300 A 30 PHE H H 1 8.195 0.030 A 30 PHE HA H 1 5.975 0.030 A 30 PHE HB2 H 1 3.123 0.030 A 30 PHE HB3 H 1 2.872 0.030 A 30 PHE HD1 H 1 6.648 0.030 A 30 PHE HD2 H 1 7.563 0.030 A 30 PHE HE1 H 1 6.764 0.030 A 30 PHE HE2 H 1 6.541 0.030 A 30 PHE HZ H 1 6.929 0.030 A 30 PHE C C 13 171.681 0.300 A 30 PHE CA C 13 55.833 0.300 A 30 PHE CB C 13 44.924 0.300 A 30 PHE CZ C 13 129.225 0.300 A 30 PHE N N 15 122.249 0.300 A 31 LEU H H 1 9.304 0.030 A 31 LEU HA H 1 4.930 0.030 A 31 LEU HB2 H 1 1.620 0.030 A 31 LEU HB3 H 1 1.497 0.030 A 31 LEU HD1% H 1 0.786 0.030 A 31 LEU HD2% H 1 0.417 0.030 A 31 LEU HG H 1 1.772 0.030 A 31 LEU C C 13 174.060 0.300 A 31 LEU CA C 13 54.316 0.300 A 31 LEU CB C 13 45.002 0.300 A 31 LEU CD1 C 13 25.873 0.300 A 31 LEU CD2 C 13 28.380 0.300 A 31 LEU CG C 13 25.272 0.300 A 31 LEU N N 15 114.936 0.300 A 32 VAL H H 1 9.523 0.030 A 32 VAL HA H 1 5.504 0.030 A 32 VAL HB H 1 2.500 0.030 A 32 VAL HG1% H 1 1.254 0.030 A 32 VAL HG2% H 1 1.033 0.030 A 32 VAL C C 13 173.470 0.300 A 32 VAL CA C 13 61.336 0.300 A 32 VAL CB C 13 34.551 0.300 A 32 VAL CG1 C 13 22.901 0.300 A 32 VAL CG2 C 13 23.854 0.300 A 32 VAL N N 15 120.262 0.300 A 33 ARG H H 1 9.710 0.030 A 33 ARG HA H 1 5.646 0.030 A 33 ARG HBy H 1 2.466 0.030 A 33 ARG HBx H 1 1.369 0.030 A 33 ARG HDy H 1 3.497 0.030 A 33 ARG HDx H 1 2.502 0.030 A 33 ARG HE H 1 7.137 0.030 A 33 ARG HGx H 1 1.669 0.030 A 33 ARG HGy H 1 1.805 0.030 A 33 ARG C C 13 174.793 0.300 A 33 ARG CA C 13 52.084 0.300 A 33 ARG CB C 13 34.682 0.300 A 33 ARG CD C 13 44.115 0.300 A 33 ARG CG C 13 26.333 0.300 A 33 ARG N N 15 124.606 0.300 A 33 ARG NE N 15 83.740 0.300 A 34 ASP H H 1 8.647 0.030 A 34 ASP HA H 1 4.755 0.030 A 34 ASP HB2 H 1 2.748 0.030 A 34 ASP HB3 H 1 2.300 0.030 A 34 ASP C C 13 176.457 0.300 A 34 ASP CA C 13 55.406 0.300 A 34 ASP CB C 13 40.923 0.300 A 34 ASP N N 15 122.814 0.300 A 35 SER H H 1 8.012 0.030 A 35 SER HA H 1 4.362 0.030 A 35 SER HBy H 1 3.801 0.030 A 35 SER HBx H 1 3.506 0.030 A 35 SER C C 13 176.475 0.300 A 35 SER CA C 13 57.877 0.300 A 35 SER CB C 13 63.170 0.300 A 35 SER N N 15 114.649 0.300 A 36 THR HA H 1 4.292 0.030 A 36 THR HB H 1 4.345 0.030 A 36 THR HG2% H 1 1.229 0.030 A 36 THR CA C 13 63.235 0.300 A 36 THR CB C 13 68.998 0.300 A 36 THR CG2 C 13 22.069 0.300 A 37 SER HA H 1 4.470 0.030 A 37 SER HB2 H 1 3.810 0.030 A 37 SER HB3 H 1 3.810 0.030 A 37 SER C C 13 174.686 0.300 A 37 SER CA C 13 59.203 0.300 A 37 SER CB C 13 63.831 0.300 A 38 SER H H 1 7.619 0.030 A 38 SER HA H 1 4.820 0.030 A 38 SER HBx H 1 3.510 0.030 A 38 SER HBy H 1 3.952 0.030 A 38 SER C C 13 170.537 0.300 A 38 SER CA C 13 54.427 0.300 A 38 SER CB C 13 63.020 0.300 A 38 SER N N 15 117.812 0.300 A 39 PRO HA H 1 4.270 0.030 A 39 PRO HB2 H 1 1.892 0.030 A 39 PRO HB3 H 1 2.288 0.030 A 39 PRO HD2 H 1 3.650 0.030 A 39 PRO HD3 H 1 3.516 0.030 A 39 PRO HG2 H 1 2.108 0.030 A 39 PRO HG3 H 1 1.919 0.030 A 39 PRO C C 13 177.655 0.300 A 39 PRO CA C 13 64.187 0.300 A 39 PRO CB C 13 31.625 0.300 A 39 PRO CD C 13 50.468 0.300 A 39 PRO CG C 13 27.565 0.300 A 40 GLY H H 1 8.781 0.030 A 40 GLY HA2 H 1 3.506 0.030 A 40 GLY HA3 H 1 4.321 0.030 A 40 GLY C C 13 172.254 0.300 A 40 GLY CA C 13 45.010 0.300 A 40 GLY N N 15 115.106 0.300 A 41 ASP H H 1 7.708 0.030 A 41 ASP HA H 1 5.163 0.030 A 41 ASP HB2 H 1 3.024 0.030 A 41 ASP HB3 H 1 3.024 0.030 A 41 ASP C C 13 176.332 0.300 A 41 ASP CA C 13 52.966 0.300 A 41 ASP CB C 13 42.084 0.300 A 41 ASP N N 15 117.309 0.300 A 42 TYR H H 1 8.984 0.030 A 42 TYR HA H 1 5.438 0.030 A 42 TYR HB2 H 1 2.808 0.030 A 42 TYR HB3 H 1 3.248 0.030 A 42 TYR HD1 H 1 7.044 0.030 A 42 TYR HD2 H 1 7.044 0.030 A 42 TYR HE1 H 1 6.838 0.030 A 42 TYR HE2 H 1 6.838 0.030 A 42 TYR C C 13 174.668 0.300 A 42 TYR CA C 13 56.995 0.300 A 42 TYR CB C 13 43.508 0.300 A 42 TYR CD1 C 13 133.475 0.300 A 42 TYR CD2 C 13 133.475 0.300 A 42 TYR CE1 C 13 118.875 0.300 A 42 TYR CE2 C 13 118.875 0.300 A 42 TYR N N 15 117.153 0.300 A 43 VAL H H 1 9.862 0.030 A 43 VAL HA H 1 4.881 0.030 A 43 VAL HB H 1 1.823 0.030 A 43 VAL HG1% H 1 1.085 0.030 A 43 VAL HG2% H 1 0.910 0.030 A 43 VAL C C 13 174.060 0.300 A 43 VAL CA C 13 61.814 0.300 A 43 VAL CB C 13 35.539 0.300 A 43 VAL CG1 C 13 22.682 0.300 A 43 VAL CG2 C 13 21.496 0.300 A 43 VAL N N 15 122.183 0.300 A 44 LEU H H 1 9.488 0.030 A 44 LEU HA H 1 5.269 0.030 A 44 LEU HB2 H 1 1.346 0.030 A 44 LEU HB3 H 1 2.093 0.030 A 44 LEU HD1% H 1 0.725 0.030 A 44 LEU HD2% H 1 0.444 0.030 A 44 LEU HG H 1 1.552 0.030 A 44 LEU C C 13 174.990 0.300 A 44 LEU CA C 13 53.578 0.300 A 44 LEU CB C 13 45.164 0.300 A 44 LEU CD1 C 13 24.727 0.300 A 44 LEU CD2 C 13 25.913 0.300 A 44 LEU CG C 13 27.652 0.300 A 44 LEU N N 15 130.637 0.300 A 45 SER H H 1 9.425 0.030 A 45 SER HA H 1 6.014 0.030 A 45 SER HB2 H 1 3.376 0.030 A 45 SER HB3 H 1 3.641 0.030 A 45 SER HG H 1 7.733 0.030 A 45 SER C C 13 172.987 0.300 A 45 SER CA C 13 58.485 0.300 A 45 SER CB C 13 65.709 0.300 A 45 SER N N 15 125.802 0.300 A 46 CYS H H 1 9.013 0.030 A 46 CYS HA H 1 5.434 0.030 A 46 CYS HBx H 1 2.771 0.030 A 46 CYS HBy H 1 2.865 0.030 A 46 CYS C C 13 172.969 0.300 A 46 CYS CA C 13 56.436 0.300 A 46 CYS CB C 13 31.472 0.300 A 46 CYS N N 15 121.287 0.300 A 47 SER H H 1 8.657 0.030 A 47 SER HA H 1 4.979 0.030 A 47 SER HB2 H 1 4.119 0.030 A 47 SER HB3 H 1 3.912 0.030 A 47 SER HG H 1 4.494 0.030 A 47 SER C C 13 174.078 0.300 A 47 SER CA C 13 56.157 0.300 A 47 SER CB C 13 63.292 0.300 A 47 SER N N 15 117.863 0.300 A 48 GLU H H 1 8.717 0.030 A 48 GLU HA H 1 4.689 0.030 A 48 GLU HBx H 1 1.983 0.030 A 48 GLU HBy H 1 2.036 0.030 A 48 GLU HGx H 1 2.184 0.030 A 48 GLU HGy H 1 2.384 0.030 A 48 GLU C C 13 175.223 0.300 A 48 GLU CA C 13 56.700 0.300 A 48 GLU CB C 13 35.372 0.300 A 48 GLU CG C 13 39.525 0.300 A 48 GLU N N 15 129.358 0.300 A 49 ASN H H 1 10.147 0.030 A 49 ASN HA H 1 4.123 0.030 A 49 ASN HBx H 1 1.165 0.030 A 49 ASN HBy H 1 2.430 0.030 A 49 ASN HD2y H 1 6.809 0.030 A 49 ASN HD2x H 1 6.571 0.030 A 49 ASN C C 13 175.205 0.300 A 49 ASN CA C 13 53.777 0.300 A 49 ASN CB C 13 38.633 0.300 A 49 ASN N N 15 124.297 0.300 A 49 ASN ND2 N 15 110.361 0.300 A 50 GLY H H 1 8.928 0.030 A 50 GLY HA2 H 1 3.644 0.030 A 50 GLY HA3 H 1 3.987 0.030 A 50 GLY C C 13 173.506 0.300 A 50 GLY CA C 13 45.740 0.300 A 50 GLY N N 15 105.223 0.300 A 51 LYS H H 1 8.079 0.030 A 51 LYS HA H 1 4.685 0.030 A 51 LYS HB2 H 1 1.858 0.030 A 51 LYS HB3 H 1 1.858 0.030 A 51 LYS HD2 H 1 1.641 0.030 A 51 LYS HD3 H 1 1.641 0.030 A 51 LYS HEx H 1 2.892 0.030 A 51 LYS HEy H 1 2.927 0.030 A 51 LYS HGx H 1 1.237 0.030 A 51 LYS HGy H 1 1.433 0.030 A 51 LYS C C 13 174.203 0.300 A 51 LYS CA C 13 54.040 0.300 A 51 LYS CB C 13 35.099 0.300 A 51 LYS CD C 13 29.448 0.300 A 51 LYS CE C 13 42.383 0.300 A 51 LYS CG C 13 23.689 0.300 A 51 LYS N N 15 120.655 0.300 A 52 VAL H H 1 8.155 0.030 A 52 VAL HA H 1 5.197 0.030 A 52 VAL HB H 1 1.847 0.030 A 52 VAL HG1% H 1 0.607 0.030 A 52 VAL HG2% H 1 0.948 0.030 A 52 VAL C C 13 175.115 0.300 A 52 VAL CA C 13 61.067 0.300 A 52 VAL CB C 13 32.934 0.300 A 52 VAL CG1 C 13 22.102 0.300 A 52 VAL CG2 C 13 22.094 0.300 A 52 VAL N N 15 120.313 0.300 A 53 THR H H 1 9.274 0.030 A 53 THR HA H 1 4.262 0.030 A 53 THR HB H 1 3.893 0.030 A 53 THR HG2% H 1 1.115 0.030 A 53 THR C C 13 172.755 0.300 A 53 THR CA C 13 59.406 0.300 A 53 THR CB C 13 70.056 0.300 A 53 THR CG2 C 13 23.756 0.300 A 53 THR N N 15 121.688 0.300 A 54 HIS H H 1 7.714 0.030 A 54 HIS HA H 1 5.576 0.030 A 54 HIS HB2 H 1 2.707 0.030 A 54 HIS HB3 H 1 2.611 0.030 A 54 HIS HD2 H 1 7.039 0.030 A 54 HIS HE1 H 1 7.235 0.030 A 54 HIS C C 13 175.438 0.300 A 54 HIS CA C 13 54.544 0.300 A 54 HIS CB C 13 33.687 0.300 A 54 HIS CD2 C 13 120.869 0.300 A 54 HIS CE1 C 13 137.261 0.300 A 54 HIS N N 15 116.151 0.300 A 55 TYR H H 1 9.904 0.030 A 55 TYR HA H 1 4.750 0.030 A 55 TYR HB2 H 1 2.826 0.030 A 55 TYR HB3 H 1 2.826 0.030 A 55 TYR HD1 H 1 7.043 0.030 A 55 TYR HD2 H 1 7.043 0.030 A 55 TYR HE1 H 1 6.846 0.030 A 55 TYR HE2 H 1 6.846 0.030 A 55 TYR C C 13 175.026 0.300 A 55 TYR CA C 13 56.863 0.300 A 55 TYR CB C 13 40.812 0.300 A 55 TYR CD1 C 13 133.197 0.300 A 55 TYR CD2 C 13 133.197 0.300 A 55 TYR CE1 C 13 118.586 0.300 A 55 TYR CE2 C 13 118.586 0.300 A 55 TYR N N 15 124.153 0.300 A 56 LYS H H 1 8.856 0.030 A 56 LYS HA H 1 4.443 0.030 A 56 LYS HB2 H 1 1.897 0.030 A 56 LYS HB3 H 1 1.897 0.030 A 56 LYS HD2 H 1 1.753 0.030 A 56 LYS HD3 H 1 1.753 0.030 A 56 LYS HE2 H 1 3.014 0.030 A 56 LYS HE3 H 1 3.014 0.030 A 56 LYS HGx H 1 1.463 0.030 A 56 LYS HGy H 1 1.645 0.030 A 56 LYS C C 13 175.545 0.300 A 56 LYS CA C 13 58.205 0.300 A 56 LYS CB C 13 33.165 0.300 A 56 LYS CD C 13 29.525 0.300 A 56 LYS CE C 13 42.156 0.300 A 56 LYS CG C 13 25.549 0.300 A 56 LYS N N 15 124.297 0.300 A 57 LEU H H 1 8.623 0.030 A 57 LEU HA H 1 4.985 0.030 A 57 LEU HB2 H 1 1.836 0.030 A 57 LEU HB3 H 1 1.385 0.030 A 57 LEU HD1% H 1 0.808 0.030 A 57 LEU HD2% H 1 0.679 0.030 A 57 LEU HG H 1 1.667 0.030 A 57 LEU C C 13 175.580 0.300 A 57 LEU CA C 13 53.978 0.300 A 57 LEU CB C 13 42.937 0.300 A 57 LEU CD1 C 13 27.138 0.300 A 57 LEU CD2 C 13 25.546 0.300 A 57 LEU CG C 13 27.178 0.300 A 57 LEU N N 15 126.848 0.300 A 58 SER H H 1 8.785 0.030 A 58 SER HA H 1 4.726 0.030 A 58 SER HBx H 1 3.819 0.030 A 58 SER HBy H 1 3.886 0.030 A 58 SER C C 13 173.452 0.300 A 58 SER CA C 13 57.462 0.300 A 58 SER CB C 13 64.626 0.300 A 58 SER N N 15 118.111 0.300 A 59 ALA H H 1 8.929 0.030 A 59 ALA HA H 1 4.989 0.030 A 59 ALA HB% H 1 1.497 0.030 A 59 ALA C C 13 177.869 0.300 A 59 ALA CA C 13 52.019 0.300 A 59 ALA CB C 13 19.112 0.300 A 59 ALA N N 15 128.946 0.300 A 60 GLU H H 1 8.486 0.030 A 60 GLU HA H 1 4.493 0.030 A 60 GLU HB2 H 1 1.804 0.030 A 60 GLU HB3 H 1 1.804 0.030 A 60 GLU HGx H 1 2.005 0.030 A 60 GLU HGy H 1 2.170 0.030 A 60 GLU C C 13 175.140 0.300 A 60 GLU CA C 13 55.774 0.300 A 60 GLU CB C 13 32.005 0.300 A 60 GLU CG C 13 36.115 0.300 A 60 GLU N N 15 125.411 0.300 A 61 GLU H H 1 9.297 0.030 A 61 GLU HA H 1 3.899 0.030 A 61 GLU HBx H 1 2.025 0.030 A 61 GLU HBy H 1 2.255 0.030 A 61 GLU HGx H 1 2.225 0.030 A 61 GLU HGy H 1 2.292 0.030 A 61 GLU C C 13 176.081 0.300 A 61 GLU CA C 13 57.086 0.300 A 61 GLU CB C 13 28.069 0.300 A 61 GLU CG C 13 36.713 0.300 A 61 GLU N N 15 125.075 0.300 A 62 GLY H H 1 8.572 0.030 A 62 GLY HA2 H 1 3.727 0.030 A 62 GLY HA3 H 1 4.238 0.030 A 62 GLY C C 13 173.703 0.300 A 62 GLY CA C 13 45.727 0.300 A 62 GLY N N 15 106.062 0.300 A 63 LYS H H 1 7.874 0.030 A 63 LYS HA H 1 4.739 0.030 A 63 LYS HBx H 1 1.850 0.030 A 63 LYS HBy H 1 2.002 0.030 A 63 LYS HDx H 1 1.606 0.030 A 63 LYS HDy H 1 1.651 0.030 A 63 LYS HE2 H 1 3.011 0.030 A 63 LYS HE3 H 1 3.011 0.030 A 63 LYS HG2 H 1 1.469 0.030 A 63 LYS HG3 H 1 1.469 0.030 A 63 LYS C C 13 175.777 0.300 A 63 LYS CA C 13 54.860 0.300 A 63 LYS CB C 13 35.051 0.300 A 63 LYS CD C 13 29.290 0.300 A 63 LYS CE C 13 42.508 0.300 A 63 LYS CG C 13 26.248 0.300 A 63 LYS N N 15 120.739 0.300 A 64 ILE H H 1 8.863 0.030 A 64 ILE HA H 1 4.999 0.030 A 64 ILE HB H 1 1.743 0.030 A 64 ILE HD1% H 1 0.825 0.030 A 64 ILE HG12 H 1 1.407 0.030 A 64 ILE HG13 H 1 1.026 0.030 A 64 ILE HG2% H 1 0.781 0.030 A 64 ILE C C 13 173.971 0.300 A 64 ILE CA C 13 57.448 0.300 A 64 ILE CB C 13 39.470 0.300 A 64 ILE CD1 C 13 9.492 0.300 A 64 ILE CG1 C 13 26.184 0.300 A 64 ILE CG2 C 13 18.258 0.300 A 64 ILE N N 15 121.119 0.300 A 65 ARG H H 1 9.777 0.030 A 65 ARG HA H 1 5.413 0.030 A 65 ARG HBx H 1 1.582 0.030 A 65 ARG HBy H 1 1.844 0.030 A 65 ARG HDx H 1 3.080 0.030 A 65 ARG HDy H 1 3.232 0.030 A 65 ARG HE H 1 8.181 0.030 A 65 ARG HG2 H 1 1.475 0.030 A 65 ARG HG3 H 1 1.475 0.030 A 65 ARG C C 13 176.010 0.300 A 65 ARG CA C 13 54.126 0.300 A 65 ARG CB C 13 32.423 0.300 A 65 ARG CD C 13 42.383 0.300 A 65 ARG CG C 13 26.967 0.300 A 65 ARG N N 15 129.837 0.300 A 65 ARG NE N 15 84.564 0.300 A 66 ILE H H 1 8.390 0.030 A 66 ILE HA H 1 4.626 0.030 A 66 ILE HB H 1 2.235 0.030 A 66 ILE HD1% H 1 0.692 0.030 A 66 ILE HG12 H 1 1.192 0.030 A 66 ILE HG13 H 1 1.777 0.030 A 66 ILE HG2% H 1 1.230 0.030 A 66 ILE C C 13 174.239 0.300 A 66 ILE CA C 13 60.451 0.300 A 66 ILE CB C 13 39.288 0.300 A 66 ILE CD1 C 13 13.839 0.300 A 66 ILE CG1 C 13 28.024 0.300 A 66 ILE CG2 C 13 15.961 0.300 A 66 ILE N N 15 124.160 0.300 A 67 ASP H H 1 9.336 0.030 A 67 ASP HA H 1 4.221 0.030 A 67 ASP HBx H 1 2.876 0.030 A 67 ASP HBy H 1 3.146 0.030 A 67 ASP C C 13 176.063 0.300 A 67 ASP CA C 13 56.622 0.300 A 67 ASP CB C 13 40.284 0.300 A 67 ASP N N 15 127.946 0.300 A 68 THR H H 1 7.666 0.030 A 68 THR HA H 1 4.143 0.030 A 68 THR HB H 1 4.310 0.030 A 68 THR HG2% H 1 1.090 0.030 A 68 THR C C 13 174.114 0.300 A 68 THR CA C 13 61.907 0.300 A 68 THR CB C 13 68.969 0.300 A 68 THR CG2 C 13 21.509 0.300 A 68 THR N N 15 112.070 0.300 A 69 HIS H H 1 8.485 0.030 A 69 HIS HA H 1 4.294 0.030 A 69 HIS HB2 H 1 2.902 0.030 A 69 HIS HB3 H 1 1.879 0.030 A 69 HIS HD2 H 1 7.089 0.030 A 69 HIS HE1 H 1 8.075 0.030 A 69 HIS C C 13 172.737 0.300 A 69 HIS CA C 13 55.416 0.300 A 69 HIS CB C 13 32.512 0.300 A 69 HIS CD2 C 13 120.391 0.300 A 69 HIS CE1 C 13 137.230 0.300 A 69 HIS N N 15 122.021 0.300 A 70 LEU H H 1 7.859 0.030 A 70 LEU HA H 1 4.876 0.030 A 70 LEU HBx H 1 1.186 0.030 A 70 LEU HBy H 1 1.394 0.030 A 70 LEU HDx% H 1 0.754 0.030 A 70 LEU HDy% H 1 0.808 0.030 A 70 LEU HG H 1 1.265 0.030 A 70 LEU C C 13 175.813 0.300 A 70 LEU CA C 13 53.384 0.300 A 70 LEU CB C 13 44.667 0.300 A 70 LEU CDx C 13 24.623 0.300 A 70 LEU CDy C 13 27.091 0.300 A 70 LEU CG C 13 26.878 0.300 A 70 LEU N N 15 122.897 0.300 A 71 PHE H H 1 9.587 0.030 A 71 PHE HA H 1 4.828 0.030 A 71 PHE HB2 H 1 2.653 0.030 A 71 PHE HB3 H 1 3.221 0.030 A 71 PHE HD1 H 1 7.052 0.030 A 71 PHE HD2 H 1 7.052 0.030 A 71 PHE HE1 H 1 6.751 0.030 A 71 PHE HE2 H 1 6.751 0.030 A 71 PHE HZ H 1 5.505 0.030 A 71 PHE C C 13 176.457 0.300 A 71 PHE CA C 13 56.763 0.300 A 71 PHE CB C 13 43.272 0.300 A 71 PHE CD1 C 13 131.357 0.300 A 71 PHE CD2 C 13 131.357 0.300 A 71 PHE CE1 C 13 131.328 0.300 A 71 PHE CE2 C 13 131.328 0.300 A 71 PHE CZ C 13 128.859 0.300 A 71 PHE N N 15 123.371 0.300 A 72 ASP H H 1 9.285 0.030 A 72 ASP HA H 1 4.364 0.030 A 72 ASP HBx H 1 2.452 0.030 A 72 ASP HBy H 1 2.773 0.030 A 72 ASP C C 13 175.419 0.300 A 72 ASP CA C 13 57.520 0.300 A 72 ASP CB C 13 41.668 0.300 A 72 ASP N N 15 119.562 0.300 A 73 ASN H H 1 7.322 0.030 A 73 ASN HA H 1 4.616 0.030 A 73 ASN HBx H 1 3.209 0.030 A 73 ASN HBy H 1 3.412 0.030 A 73 ASN HD2y H 1 7.674 0.030 A 73 ASN HD2x H 1 6.900 0.030 A 73 ASN C C 13 174.740 0.300 A 73 ASN CA C 13 51.616 0.300 A 73 ASN CB C 13 39.525 0.300 A 73 ASN N N 15 106.508 0.300 A 73 ASN ND2 N 15 114.768 0.300 A 74 LEU H H 1 8.846 0.030 A 74 LEU HA H 1 3.773 0.030 A 74 LEU HB2 H 1 1.657 0.030 A 74 LEU HB3 H 1 1.427 0.030 A 74 LEU HD1% H 1 0.331 0.030 A 74 LEU HD2% H 1 0.422 0.030 A 74 LEU HG H 1 1.466 0.030 A 74 LEU C C 13 177.548 0.300 A 74 LEU CA C 13 58.311 0.300 A 74 LEU CB C 13 42.894 0.300 A 74 LEU CD1 C 13 24.235 0.300 A 74 LEU CD2 C 13 24.488 0.300 A 74 LEU CG C 13 26.876 0.300 A 74 LEU N N 15 119.870 0.300 A 75 ASP H H 1 8.433 0.030 A 75 ASP HA H 1 4.284 0.030 A 75 ASP HBx H 1 2.647 0.030 A 75 ASP HBy H 1 2.732 0.030 A 75 ASP C C 13 178.532 0.300 A 75 ASP CA C 13 58.078 0.300 A 75 ASP CB C 13 41.190 0.300 A 75 ASP N N 15 118.228 0.300 A 76 ALA H H 1 8.315 0.030 A 76 ALA HA H 1 4.063 0.030 A 76 ALA HB% H 1 1.649 0.030 A 76 ALA C C 13 179.712 0.300 A 76 ALA CA C 13 54.804 0.300 A 76 ALA CB C 13 18.735 0.300 A 76 ALA N N 15 120.971 0.300 A 77 ALA H H 1 7.133 0.030 A 77 ALA HA H 1 2.099 0.030 A 77 ALA HB% H 1 0.950 0.030 A 77 ALA C C 13 177.476 0.300 A 77 ALA CA C 13 53.971 0.300 A 77 ALA CB C 13 18.106 0.300 A 77 ALA N N 15 122.142 0.300 A 78 ILE H H 1 7.668 0.030 A 78 ILE HA H 1 3.143 0.030 A 78 ILE HB H 1 1.559 0.030 A 78 ILE HD1% H 1 -0.133 0.030 A 78 ILE HG12 H 1 0.745 0.030 A 78 ILE HG13 H 1 -0.184 0.030 A 78 ILE HG2% H 1 0.128 0.030 A 78 ILE C C 13 177.727 0.300 A 78 ILE CA C 13 62.248 0.300 A 78 ILE CB C 13 35.352 0.300 A 78 ILE CD1 C 13 9.474 0.300 A 78 ILE CG1 C 13 26.917 0.300 A 78 ILE CG2 C 13 17.913 0.300 A 78 ILE N N 15 117.124 0.300 A 79 THR H H 1 8.148 0.030 A 79 THR HA H 1 3.756 0.030 A 79 THR HB H 1 4.103 0.030 A 79 THR HG2% H 1 1.226 0.030 A 79 THR C C 13 177.369 0.300 A 79 THR CA C 13 67.174 0.300 A 79 THR CB C 13 68.777 0.300 A 79 THR CG2 C 13 21.831 0.300 A 79 THR N N 15 114.527 0.300 A 80 PHE H H 1 7.588 0.030 A 80 PHE HA H 1 4.125 0.030 A 80 PHE HBy H 1 2.794 0.030 A 80 PHE HBx H 1 2.598 0.030 A 80 PHE HE1 H 1 6.562 0.030 A 80 PHE HE2 H 1 6.562 0.030 A 80 PHE HZ H 1 6.383 0.030 A 80 PHE C C 13 179.587 0.300 A 80 PHE CA C 13 62.330 0.300 A 80 PHE CB C 13 39.774 0.300 A 80 PHE CE1 C 13 130.799 0.300 A 80 PHE CE2 C 13 130.799 0.300 A 80 PHE CZ C 13 128.727 0.300 A 80 PHE N N 15 122.091 0.300 A 81 TYR H H 1 7.741 0.030 A 81 TYR HA H 1 4.796 0.030 A 81 TYR HB2 H 1 2.294 0.030 A 81 TYR HB3 H 1 3.233 0.030 A 81 TYR HD1 H 1 6.992 0.030 A 81 TYR HD2 H 1 6.992 0.030 A 81 TYR HE1 H 1 6.652 0.030 A 81 TYR HE2 H 1 6.652 0.030 A 81 TYR C C 13 174.686 0.300 A 81 TYR CA C 13 62.052 0.300 A 81 TYR CB C 13 36.555 0.300 A 81 TYR CD1 C 13 132.945 0.300 A 81 TYR CD2 C 13 132.945 0.300 A 81 TYR CE1 C 13 118.174 0.300 A 81 TYR CE2 C 13 118.174 0.300 A 81 TYR N N 15 118.739 0.300 A 82 MET H H 1 7.617 0.030 A 82 MET HA H 1 4.763 0.030 A 82 MET HBx H 1 2.169 0.030 A 82 MET HBy H 1 2.430 0.030 A 82 MET HE% H 1 2.069 0.030 A 82 MET HGy H 1 2.731 0.030 A 82 MET HGx H 1 2.425 0.030 A 82 MET C C 13 177.577 0.300 A 82 MET CA C 13 57.420 0.300 A 82 MET CB C 13 32.492 0.300 A 82 MET CE C 13 16.722 0.300 A 82 MET CG C 13 32.482 0.300 A 82 MET N N 15 117.835 0.300 A 83 GLU H H 1 7.136 0.030 A 83 GLU HA H 1 4.333 0.030 A 83 GLU HBx H 1 1.591 0.030 A 83 GLU HBy H 1 1.743 0.030 A 83 GLU HGx H 1 1.856 0.030 A 83 GLU HGy H 1 2.055 0.030 A 83 GLU C C 13 174.436 0.300 A 83 GLU CA C 13 55.570 0.300 A 83 GLU CB C 13 31.508 0.300 A 83 GLU CG C 13 35.914 0.300 A 83 GLU N N 15 115.665 0.300 A 84 HIS H H 1 7.355 0.030 A 84 HIS HA H 1 4.389 0.030 A 84 HIS HBx H 1 1.930 0.030 A 84 HIS HBy H 1 3.054 0.030 A 84 HIS HD2 H 1 6.721 0.030 A 84 HIS HE1 H 1 8.150 0.030 A 84 HIS C C 13 172.308 0.300 A 84 HIS CA C 13 55.094 0.300 A 84 HIS CB C 13 30.609 0.300 A 84 HIS CD2 C 13 120.297 0.300 A 84 HIS CE1 C 13 135.654 0.300 A 84 HIS N N 15 117.703 0.300 A 85 GLU H H 1 8.391 0.030 A 85 GLU HA H 1 3.705 0.030 A 85 GLU HB2 H 1 1.815 0.030 A 85 GLU HB3 H 1 1.636 0.030 A 85 GLU HGx H 1 2.175 0.030 A 85 GLU HGy H 1 2.239 0.030 A 85 GLU C C 13 177.512 0.300 A 85 GLU CA C 13 57.702 0.300 A 85 GLU CB C 13 30.184 0.300 A 85 GLU CG C 13 36.699 0.300 A 85 GLU N N 15 117.931 0.300 A 86 LEU H H 1 7.299 0.030 A 86 LEU HA H 1 4.164 0.030 A 86 LEU HB2 H 1 1.819 0.030 A 86 LEU HB3 H 1 1.242 0.030 A 86 LEU HD1% H 1 0.277 0.030 A 86 LEU HD2% H 1 -0.777 0.030 A 86 LEU HG H 1 1.081 0.030 A 86 LEU C C 13 175.759 0.300 A 86 LEU CA C 13 55.210 0.300 A 86 LEU CB C 13 38.592 0.300 A 86 LEU CD1 C 13 26.126 0.300 A 86 LEU CD2 C 13 21.543 0.300 A 86 LEU CG C 13 27.051 0.300 A 86 LEU N N 15 123.635 0.300 A 87 GLU H H 1 8.246 0.030 A 87 GLU HA H 1 3.914 0.030 A 87 GLU HBy H 1 2.099 0.030 A 87 GLU HBx H 1 1.735 0.030 A 87 GLU HGx H 1 1.586 0.030 A 87 GLU HGy H 1 2.039 0.030 A 87 GLU C C 13 176.779 0.300 A 87 GLU CA C 13 59.865 0.300 A 87 GLU CB C 13 30.366 0.300 A 87 GLU CG C 13 36.192 0.300 A 87 GLU N N 15 121.391 0.300 A 88 TYR H H 1 9.124 0.030 A 88 TYR HA H 1 4.588 0.030 A 88 TYR HB2 H 1 2.768 0.030 A 88 TYR HB3 H 1 3.182 0.030 A 88 TYR HD1 H 1 7.039 0.030 A 88 TYR HD2 H 1 7.039 0.030 A 88 TYR HE1 H 1 6.738 0.030 A 88 TYR HE2 H 1 6.738 0.030 A 88 TYR C C 13 175.991 0.300 A 88 TYR CA C 13 58.686 0.300 A 88 TYR CB C 13 41.001 0.300 A 88 TYR CD1 C 13 133.410 0.300 A 88 TYR CD2 C 13 133.410 0.300 A 88 TYR CE1 C 13 118.454 0.300 A 88 TYR CE2 C 13 118.454 0.300 A 88 TYR N N 15 113.766 0.300 A 89 SER H H 1 8.963 0.030 A 89 SER HA H 1 4.880 0.030 A 89 SER HBx H 1 3.658 0.030 A 89 SER HBy H 1 3.766 0.030 A 89 SER C C 13 174.704 0.300 A 89 SER CA C 13 56.748 0.300 A 89 SER CB C 13 65.817 0.300 A 89 SER N N 15 113.598 0.300 A 90 SER H H 1 8.327 0.030 A 90 SER HA H 1 4.911 0.030 A 90 SER HBx H 1 3.402 0.030 A 90 SER HBy H 1 3.874 0.030 A 90 SER C C 13 174.901 0.300 A 90 SER CA C 13 58.218 0.300 A 90 SER CB C 13 64.878 0.300 A 90 SER N N 15 118.921 0.300 A 91 LEU H H 1 8.838 0.030 A 91 LEU HA H 1 4.038 0.030 A 91 LEU HB2 H 1 1.135 0.030 A 91 LEU HB3 H 1 0.488 0.030 A 91 LEU HD1% H 1 -0.155 0.030 A 91 LEU HD2% H 1 0.269 0.030 A 91 LEU HG H 1 1.253 0.030 A 91 LEU C C 13 177.083 0.300 A 91 LEU CA C 13 55.074 0.300 A 91 LEU CB C 13 40.549 0.300 A 91 LEU CD1 C 13 25.416 0.300 A 91 LEU CD2 C 13 22.457 0.300 A 91 LEU CG C 13 25.361 0.300 A 91 LEU N N 15 119.193 0.300 A 92 LYS H H 1 9.100 0.030 A 92 LYS HA H 1 4.631 0.030 A 92 LYS HB2 H 1 1.754 0.030 A 92 LYS HB3 H 1 1.922 0.030 A 92 LYS HD2 H 1 1.706 0.030 A 92 LYS HD3 H 1 1.706 0.030 A 92 LYS HE2 H 1 2.930 0.030 A 92 LYS HE3 H 1 2.930 0.030 A 92 LYS HGx H 1 1.355 0.030 A 92 LYS HGy H 1 1.528 0.030 A 92 LYS C C 13 176.135 0.300 A 92 LYS CA C 13 56.916 0.300 A 92 LYS CB C 13 34.817 0.300 A 92 LYS CD C 13 28.628 0.300 A 92 LYS CE C 13 42.383 0.300 A 92 LYS CG C 13 25.164 0.300 A 92 LYS N N 15 120.489 0.300 A 93 GLN H H 1 7.608 0.030 A 93 GLN HA H 1 5.067 0.030 A 93 GLN HBx H 1 2.008 0.030 A 93 GLN HBy H 1 2.223 0.030 A 93 GLN HE2y H 1 7.470 0.030 A 93 GLN HE2x H 1 6.767 0.030 A 93 GLN HG2 H 1 2.359 0.030 A 93 GLN HG3 H 1 2.359 0.030 A 93 GLN C C 13 171.789 0.300 A 93 GLN CA C 13 53.016 0.300 A 93 GLN CB C 13 30.428 0.300 A 93 GLN CG C 13 32.802 0.300 A 93 GLN N N 15 115.772 0.300 A 93 GLN NE2 N 15 111.404 0.300 A 94 PRO HA H 1 3.768 0.030 A 94 PRO HB2 H 1 1.700 0.030 A 94 PRO HB3 H 1 1.647 0.030 A 94 PRO HD2 H 1 3.870 0.030 A 94 PRO HD3 H 1 3.870 0.030 A 94 PRO HG2 H 1 2.165 0.030 A 94 PRO HG3 H 1 2.053 0.030 A 94 PRO C C 13 177.047 0.300 A 94 PRO CA C 13 61.287 0.300 A 94 PRO CB C 13 31.944 0.300 A 94 PRO CD C 13 50.697 0.300 A 94 PRO CG C 13 27.133 0.300 A 95 LEU H H 1 8.485 0.030 A 95 LEU HA H 1 4.190 0.030 A 95 LEU HB2 H 1 0.973 0.030 A 95 LEU HB3 H 1 1.535 0.030 A 95 LEU HD1% H 1 0.947 0.030 A 95 LEU HD2% H 1 0.673 0.030 A 95 LEU HG H 1 1.621 0.030 A 95 LEU C C 13 175.849 0.300 A 95 LEU CA C 13 55.053 0.300 A 95 LEU CB C 13 42.157 0.300 A 95 LEU CD1 C 13 24.270 0.300 A 95 LEU CD2 C 13 26.620 0.300 A 95 LEU CG C 13 27.045 0.300 A 95 LEU N N 15 125.368 0.300 A 96 GLN H H 1 8.551 0.030 A 96 GLN HA H 1 4.321 0.030 A 96 GLN HBx H 1 2.028 0.030 A 96 GLN HBy H 1 2.102 0.030 A 96 GLN HE2y H 1 7.745 0.030 A 96 GLN HE2x H 1 6.855 0.030 A 96 GLN HGx H 1 2.368 0.030 A 96 GLN HGy H 1 2.414 0.030 A 96 GLN C C 13 175.330 0.300 A 96 GLN CA C 13 56.256 0.300 A 96 GLN CB C 13 29.530 0.300 A 96 GLN CG C 13 33.886 0.300 A 96 GLN N N 15 128.144 0.300 A 96 GLN NE2 N 15 112.920 0.300 A 97 ARG H H 1 8.297 0.030 A 97 ARG HA H 1 3.865 0.030 A 97 ARG HBx H 1 1.413 0.030 A 97 ARG HBy H 1 1.467 0.030 A 97 ARG HD2 H 1 2.969 0.030 A 97 ARG HD3 H 1 2.969 0.030 A 97 ARG HGx H 1 1.264 0.030 A 97 ARG HGy H 1 1.338 0.030 A 97 ARG C C 13 181.196 0.300 A 97 ARG CA C 13 58.165 0.300 A 97 ARG CB C 13 31.046 0.300 A 97 ARG CD C 13 43.633 0.300 A 97 ARG CG C 13 27.200 0.300 A 97 ARG N N 15 129.682 0.300 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 57 LEU H A 58 SER H 1.0 . 4.54 2 2 A 57 LEU H A 44 LEU H 1.0 . 4.56 3 3 A 57 LEU H A 42 TYR H 1.0 . 4.25 4 4 A 57 LEU H A 43 VAL HA 1.0 . 3.71 5 5 A 57 LEU H A 56 LYS HA 1.0 . 2.79 6 6 A 57 LEU H A 42 TYR HB2 1.0 . 4.44 7 7 A 57 LEU H A 57 LEU HB2 1.0 . 3.28 8 8 A 57 LEU H A 57 LEU HG 1.0 . 3.74 9 9 A 57 LEU H A 57 LEU HB3 1.0 . 3.87 10 10 A 57 LEU H A 57 LEU HD1% 1.0 . 3.98 11 11 A 13 LEU H A 34 ASP HB2 1.0 . 5.46 12 12 A 13 LEU H A 34 ASP HB3 1.0 . 5.33 13 13 A 13 LEU H A 34 ASP H 1.0 . 4.25 14 14 A 13 LEU H A 33 ARG HA 1.0 . 4.28 15 15 A 13 LEU H A 10 HIS HB2 1.0 . 4.73 16 16 A 13 LEU H A 33 ARG HBy 1.0 . 4.19 17 17 A 13 LEU H A 13 LEU HG 1.0 . 4.62 18 18 A 13 LEU H A 13 LEU HB2 1.0 . 3.28 19 19 A 13 LEU H A 13 LEU HB3 1.0 . 3.41 20 20 A 13 LEU H A 33 ARG HBx 1.0 . 4.19 21 21 A 13 LEU H A 13 LEU HD1% 1.0 . 4.34 22 22 A 13 LEU H A 13 LEU HD2% 1.0 . 4.31 23 23 A 13 LEU H A 14 SER H 1.0 . 4.67 24 24 A 71 PHE HB3 A 73 ASN H 1.0 . 3.36 25 25 A 73 ASN H A 71 PHE HB2 1.0 . 3.82 26 26 A 73 ASN H A 64 ILE HG12 1.0 . 4.87 27 27 A 73 ASN H A 64 ILE H 1.0 . 4.71 28 28 A 73 ASN H A 74 LEU H 1.0 . 5.11 29 29 A 73 ASN H A 76 ALA H 1.0 . 4.16 30 30 A 73 ASN H A 77 ALA HB% 1.0 . 5.12 31 31 A 7 PRO HD3 A 8 TRP H 1.0 . 4.22 32 32 A 8 TRP H A 7 PRO HG3 1.0 . 4.48 33 33 A 73 ASN H A 76 ALA HB% 1.0 . 3.12 34 34 A 73 ASN H A 72 ASP H 1.0 . 3.54 35 35 A 8 TRP H A 8 TRP HD1 1.0 . 3.78 36 36 A 8 TRP H A 7 PRO HD2 1.0 . 3.84 37 37 A 8 TRP H A 8 TRP HB3 1.0 . 3.82 38 38 A 8 TRP H A 7 PRO HG2 1.0 . 3.87 39 39 A 8 TRP H A 7 PRO HB2 1.0 . 4.01 40 40 A 8 TRP H A 6 ALA HB% 1.0 . 3.61 41 41 A 8 TRP H A 6 ALA HA 1.0 . 4.49 42 42 A 32 VAL HA A 45 SER H 1.0 . 4.02 43 43 A 45 SER H A 44 LEU HA 1.0 . 2.92 44 44 A 45 SER H A 45 SER HB3 1.0 . 4.08 45 45 A 45 SER H A 45 SER HB2 1.0 . 3.66 46 46 A 45 SER H A 31 LEU HG 1.0 . 4.26 47 47 A 45 SER H A 44 LEU HG 1.0 . 4.36 48 48 A 45 SER H A 44 LEU HB2 1.0 . 4.42 49 49 A 45 SER H A 32 VAL HG2% 1.0 . 4.32 50 50 A 45 SER H A 44 LEU HD1% 1.0 . 3.62 51 51 A 45 SER H A 31 LEU HD2% 1.0 . 5.49 52 52 A 45 SER H A 44 LEU HD2% 1.0 . 5.50 53 53 A 61 GLU H A 62 GLY H 1.0 . 3.91 54 54 A 62 GLY H A 61 GLU HA 1.0 . 3.38 55 55 A 62 GLY H A 61 GLU HBy 1.0 . 4.45 56 56 A 62 GLY H A 61 GLU HBx 1.0 . 4.45 57 57 A 62 GLY H A 59 ALA HB% 1.0 . 4.36 58 58 A 62 GLY H A 60 GLU HA 1.0 . 4.47 59 59 A 26 PRO HB3 A 27 GLU H 1.0 . 4.31 60 60 A 27 GLU H A 27 GLU HG2 1.0 . 4.85 61 60 A 27 GLU H A 27 GLU HG3 1.0 . 4.85 62 61 A 27 GLU H A 26 PRO HA 1.0 . 3.33 63 62 A 60 GLU H A 63 LYS H 1.0 . 3.95 64 63 A 60 GLU H A 59 ALA HA 1.0 . 2.77 65 64 A 60 GLU H A 60 GLU HB2 1.0 . 3.37 66 64 A 60 GLU H A 60 GLU HB3 1.0 . 3.37 67 65 A 2 ALA H A 2 ALA HB% 1.0 . 3.64 68 66 A 10 HIS HB2 A 11 GLY H 1.0 . 4.65 69 67 A 61 GLU H A 60 GLU HB2 1.0 . 4.42 70 67 A 61 GLU H A 60 GLU HB3 1.0 . 4.42 71 68 A 61 GLU H A 60 GLU H 1.0 . 4.64 72 69 A 30 PHE H A 95 LEU H 1.0 . 4.00 73 70 A 95 LEU H A 94 PRO HA 1.0 . 2.92 74 71 A 60 GLU H A 60 GLU HGy 1.0 . 5.10 75 72 A 60 GLU H A 60 GLU HGx 1.0 . 5.10 76 73 A 60 GLU H A 63 LYS HBy 1.0 . 5.50 77 74 A 95 LEU H A 95 LEU HB3 1.0 . 3.09 78 75 A 95 LEU H A 95 LEU HB2 1.0 . 3.25 79 76 A 95 LEU H A 95 LEU HD2% 1.0 . 4.30 80 77 A 31 LEU HD2% A 95 LEU H 1.0 . 5.50 81 78 A 95 LEU H A 8 TRP HA 1.0 . 4.83 82 79 A 61 GLU H A 60 GLU HA 1.0 . 3.12 83 80 A 61 GLU H A 61 GLU HGx 1.0 . 4.80 84 81 A 49 ASN H A 50 GLY H 1.0 . 3.75 85 82 A 50 GLY H A 49 ASN HA 1.0 . 3.54 86 83 A 50 GLY H A 27 GLU HG2 1.0 . 4.85 87 83 A 27 GLU HG3 A 50 GLY H 1.0 . 4.85 88 84 A 50 GLY H A 49 ASN HBy 1.0 . 5.24 89 85 A 49 ASN H A 50 GLY HA2 1.0 . 5.46 90 86 A 32 VAL HA A 33 ARG H 1.0 . 3.03 91 87 A 44 LEU HA A 33 ARG H 1.0 . 4.52 92 88 A 33 ARG H A 42 TYR HB3 1.0 . 4.85 93 89 A 33 ARG H A 32 VAL HB 1.0 . 4.38 94 90 A 33 ARG H A 33 ARG HGx 1.0 . 3.20 95 91 A 33 ARG H A 32 VAL HG1% 1.0 . 3.47 96 92 A 32 VAL HG2% A 33 ARG H 1.0 . 4.33 97 93 A 33 ARG H A 31 LEU HD1% 1.0 . 4.13 98 94 A 49 ASN H A 48 GLU HBy 1.0 . 4.09 99 95 A 49 ASN H A 49 ASN HBx 1.0 . 3.99 100 96 A 56 LYS H A 56 LYS HGx 1.0 . 4.14 101 97 A 56 LYS H A 55 TYR HD% 1.0 . 4.54 102 98 A 56 LYS H A 55 TYR HB2 1.0 . 3.70 103 98 A 56 LYS H A 55 TYR HB3 1.0 . 3.70 104 99 A 56 LYS H A 56 LYS HB2 1.0 . 2.97 105 99 A 56 LYS H A 56 LYS HB3 1.0 . 2.97 106 100 A 56 LYS H A 56 LYS HGy 1.0 . 4.14 107 101 A 56 LYS H A 66 ILE HD1% 1.0 . 4.83 108 102 A 66 ILE H A 69 HIS HB2 1.0 . 4.43 109 103 A 66 ILE H A 65 ARG HA 1.0 . 2.90 110 104 A 66 ILE H A 65 ARG HBy 1.0 . 4.42 111 105 A 66 ILE H A 65 ARG HG2 1.0 . 3.59 112 105 A 66 ILE H A 65 ARG HG3 1.0 . 3.59 113 106 A 66 ILE H A 66 ILE HG2% 1.0 . 3.51 114 107 A 66 ILE H A 65 ARG H 1.0 . 4.76 115 108 A 65 ARG HA A 65 ARG HE 1.0 . 5.13 116 109 A 44 LEU HB2 A 55 TYR H 1.0 . 5.08 117 110 A 44 LEU H A 55 TYR H 1.0 . 3.87 118 111 A 55 TYR H A 45 SER HG 1.0 . 5.41 119 112 A 55 TYR HD% A 55 TYR H 1.0 . 3.50 120 113 A 55 TYR H A 45 SER HA 1.0 . 4.18 121 114 A 55 TYR H A 54 HIS HA 1.0 . 3.01 122 115 A 55 TYR H A 55 TYR HB2 1.0 . 3.42 123 115 A 55 TYR HB3 A 55 TYR H 1.0 . 3.42 124 116 A 55 TYR H A 54 HIS HB3 1.0 . 4.18 125 117 A 55 TYR H A 44 LEU HB3 1.0 . 4.30 126 118 A 55 TYR H A 43 VAL HG1% 1.0 . 3.65 127 119 A 66 ILE H A 71 PHE HD% 1.0 . 4.75 128 120 A 65 ARG HBy A 65 ARG HE 1.0 . 4.58 129 121 A 5 ALA HA A 6 ALA H 1.0 . 3.04 130 122 A 7 PRO HD3 A 6 ALA H 1.0 . 5.32 131 123 A 6 ALA H A 9 TYR HB2 1.0 . 4.42 132 124 A 6 ALA H A 5 ALA HB% 1.0 . 3.65 133 125 A 6 ALA HB% A 6 ALA H 1.0 . 3.10 134 126 A 6 ALA H A 9 TYR HB3 1.0 . 4.73 135 127 A 14 SER H A 13 LEU HA 1.0 . 2.70 136 128 A 14 SER H A 17 ASP HBy 1.0 . 4.29 137 129 A 13 LEU HG A 14 SER H 1.0 . 3.90 138 130 A 13 LEU HB2 A 14 SER H 1.0 . 4.40 139 131 A 13 LEU HB3 A 14 SER H 1.0 . 4.71 140 132 A 13 LEU HD1% A 14 SER H 1.0 . 3.85 141 133 A 3 GLU HA A 4 ALA H 1.0 . 3.31 142 134 A 4 ALA H A 4 ALA HB% 1.0 . 3.26 143 135 A 9 TYR H A 10 HIS H 1.0 . 4.53 144 136 A 8 TRP H A 9 TYR H 1.0 . 3.32 145 137 A 9 TYR H A 7 PRO HA 1.0 . 4.66 146 138 A 9 TYR H A 8 TRP HB2 1.0 . 4.83 147 139 A 9 TYR HB3 A 9 TYR H 1.0 . 3.12 148 140 A 9 TYR HB2 A 9 TYR H 1.0 . 3.31 149 141 A 32 VAL HB A 9 TYR H 1.0 . 5.06 150 142 A 5 ALA HB% A 9 TYR H 1.0 . 4.87 151 143 A 6 ALA HB% A 9 TYR H 1.0 . 3.79 152 144 A 9 TYR H A 8 TRP HE3 1.0 . 4.91 153 145 A 86 LEU H A 89 SER H 1.0 . 4.79 154 146 A 86 LEU H A 90 SER HA 1.0 . 4.20 155 147 A 86 LEU H A 85 GLU HA 1.0 . 3.20 156 148 A 86 LEU H A 86 LEU HB2 1.0 . 3.43 157 149 A 86 LEU H A 85 GLU HB3 1.0 . 4.02 158 150 A 86 LEU H A 86 LEU HB3 1.0 . 4.14 159 151 A 86 LEU H A 86 LEU HG 1.0 . 4.49 160 152 A 86 LEU H A 86 LEU HD1% 1.0 . 4.55 161 153 A 65 ARG HA A 71 PHE H 1.0 . 4.32 162 154 A 71 PHE HB3 A 71 PHE H 1.0 . 3.97 163 155 A 71 PHE HB2 A 71 PHE H 1.0 . 3.56 164 156 A 71 PHE H A 64 ILE HG2% 1.0 . 4.32 165 157 A 71 PHE HD% A 71 PHE H 1.0 . 3.82 166 158 A 63 LYS HBy A 71 PHE H 1.0 . 4.87 167 159 A 71 PHE H A 64 ILE HB 1.0 . 4.37 168 160 A 66 ILE HG2% A 71 PHE H 1.0 . 5.12 169 161 A 13 LEU HD2% A 14 SER H 1.0 . 4.61 170 162 A 18 ALA H A 17 ASP HBy 1.0 . 4.10 171 163 A 13 LEU HG A 18 ALA H 1.0 . 3.93 172 164 A 18 ALA H A 18 ALA HB% 1.0 . 2.97 173 165 A 13 LEU HD1% A 18 ALA H 1.0 . 4.70 174 166 A 86 LEU H A 90 SER H 1.0 . 4.64 175 167 A 18 ALA HB% A 33 ARG HE 1.0 . 4.22 176 168 A 33 ARG HE A 43 VAL HB 1.0 . 4.68 177 169 A 18 ALA H A 17 ASP H 1.0 . 3.30 178 170 A 13 LEU HD2% A 18 ALA H 1.0 . 4.15 179 171 A 34 ASP H A 33 ARG HGy 1.0 . 4.84 180 172 A 34 ASP H A 33 ARG HA 1.0 . 3.14 181 173 A 34 ASP H A 11 GLY HA2 1.0 . 4.55 182 174 A 34 ASP HB2 A 34 ASP H 1.0 . 3.93 183 175 A 34 ASP H A 33 ARG HBy 1.0 . 3.97 184 176 A 34 ASP HB3 A 34 ASP H 1.0 . 3.62 185 177 A 34 ASP H A 33 ARG HBx 1.0 . 3.97 186 178 A 14 SER H A 17 ASP H 1.0 . 4.63 187 179 A 17 ASP H A 17 ASP HBy 1.0 . 3.80 188 180 A 13 LEU HD1% A 17 ASP H 1.0 . 4.86 189 181 A 18 ALA HB% A 17 ASP H 1.0 . 4.75 190 182 A 17 ASP H A 16 THR HG2% 1.0 . 4.18 191 183 A 71 PHE H A 70 LEU H 1.0 . 4.82 192 184 A 69 HIS HB2 A 70 LEU H 1.0 . 4.35 193 185 A 70 LEU H A 69 HIS HB3 1.0 . 3.73 194 186 A 70 LEU H A 69 HIS HA 1.0 . 2.79 195 187 A 70 LEU H A 70 LEU HBy 1.0 . 3.61 196 188 A 70 LEU H A 70 LEU HBx 1.0 . 3.61 197 189 A 33 ARG HGy A 43 VAL H 1.0 . 4.72 198 190 A 30 PHE H A 31 LEU H 1.0 . 4.82 199 191 A 71 PHE HZ A 80 PHE H 1.0 . 5.50 200 192 A 43 VAL H A 35 SER H 1.0 . 4.68 201 193 A 43 VAL H A 42 TYR HD% 1.0 . 4.38 202 194 A 42 TYR HB2 A 43 VAL H 1.0 . 3.87 203 195 A 43 VAL HG1% A 43 VAL H 1.0 . 4.44 204 196 A 33 ARG H A 43 VAL H 1.0 . 3.89 205 197 A 43 VAL H A 42 TYR HA 1.0 . 3.16 206 198 A 42 TYR HB3 A 43 VAL H 1.0 . 3.38 207 199 A 43 VAL HB A 43 VAL H 1.0 . 3.43 208 200 A 32 VAL HG1% A 43 VAL H 1.0 . 4.04 209 201 A 68 THR H A 69 HIS H 1.0 . 3.42 210 202 A 69 HIS H A 69 HIS HD2 1.0 . 4.24 211 203 A 69 HIS HB2 A 69 HIS H 1.0 . 3.22 212 204 A 69 HIS HB3 A 69 HIS H 1.0 . 3.79 213 205 A 66 ILE HG2% A 69 HIS H 1.0 . 4.37 214 206 A 30 PHE H A 30 PHE HD2 1.0 . 4.46 215 207 A 30 PHE H A 30 PHE HD1 1.0 . 4.22 216 208 A 30 PHE H A 29 THR HA 1.0 . 3.07 217 209 A 30 PHE H A 94 PRO HA 1.0 . 3.58 218 210 A 28 GLY H A 29 THR H 1.0 . 3.43 219 211 A 29 THR H A 29 THR HG1 1.0 . 3.21 220 212 A 29 THR H A 29 THR HB 1.0 . 3.21 221 213 A 29 THR H A 25 MET HBy 1.0 . 5.09 222 214 A 29 THR H A 26 PRO HG2 1.0 . 5.31 223 214 A 29 THR H A 26 PRO HG3 1.0 . 5.31 224 215 A 29 THR H A 26 PRO HB2 1.0 . 5.32 225 216 A 29 THR H A 92 LYS HB2 1.0 . 5.50 226 217 A 80 PHE H A 77 ALA HA 1.0 . 4.30 227 218 A 80 PHE H A 79 THR H 1.0 . 3.60 228 219 A 80 PHE H A 81 TYR H 1.0 . 3.65 229 220 A 80 PHE H A 79 THR HB 1.0 . 3.32 230 221 A 80 PHE H A 80 PHE HBy 1.0 . 3.28 231 222 A 80 PHE H A 80 PHE HBx 1.0 . 3.28 232 223 A 79 THR H A 77 ALA H 1.0 . 4.69 233 224 A 71 PHE HB3 A 77 ALA H 1.0 . 4.13 234 225 A 77 ALA H A 78 ILE H 1.0 . 3.33 235 226 A 77 ALA H A 74 LEU HA 1.0 . 3.90 236 227 A 71 PHE HB2 A 77 ALA H 1.0 . 4.35 237 228 A 77 ALA HB% A 77 ALA H 1.0 . 2.96 238 229 A 64 ILE HG2% A 77 ALA H 1.0 . 5.16 239 230 A 77 ALA H A 78 ILE HG12 1.0 . 5.34 240 231 A 53 THR H A 53 THR HG2% 1.0 . 4.06 241 232 A 53 THR H A 47 SER HA 1.0 . 4.84 242 233 A 53 THR H A 52 VAL HB 1.0 . 4.72 243 234 A 14 SER HA A 15 ARG H 1.0 . 3.12 244 235 A 15 ARG H A 14 SER HBy 1.0 . 4.02 245 236 A 15 ARG H A 14 SER HBx 1.0 . 4.02 246 237 A 15 ARG H A 15 ARG HB2 1.0 . 3.11 247 237 A 15 ARG H A 15 ARG HB3 1.0 . 3.11 248 238 A 70 LEU H A 69 HIS H 1.0 . 4.43 249 239 A 4 ALA HA A 5 ALA H 1.0 . 3.15 250 240 A 4 ALA HB% A 5 ALA H 1.0 . 3.55 251 241 A 5 ALA HB% A 5 ALA H 1.0 . 3.66 252 242 A 53 THR H A 52 VAL HA 1.0 . 3.00 253 243 A 55 TYR HD% A 46 CYS H 1.0 . 4.78 254 244 A 44 LEU HG A 46 CYS H 1.0 . 4.86 255 245 A 64 ILE H A 65 ARG H 1.0 . 4.72 256 246 A 87 GLU H A 88 TYR H 1.0 . 3.62 257 247 A 86 LEU H A 87 GLU H 1.0 . 4.37 258 248 A 87 GLU H A 87 GLU HBy 1.0 . 3.86 259 249 A 86 LEU HB2 A 87 GLU H 1.0 . 3.44 260 250 A 86 LEU HB3 A 87 GLU H 1.0 . 3.12 261 251 A 89 SER H A 87 GLU H 1.0 . 4.48 262 252 A 87 GLU H A 86 LEU HD2% 1.0 . 4.57 263 253 A 20 ASN HA A 23 LEU H 1.0 . 4.32 264 254 A 23 LEU H A 22 LEU HB3 1.0 . 4.52 265 255 A 23 LEU H A 24 ARG H 1.0 . 3.94 266 256 A 23 LEU H A 23 LEU HBy 1.0 . 3.00 267 257 A 23 LEU H A 23 LEU HBx 1.0 . 3.16 268 258 A 23 LEU H A 52 VAL HG2% 1.0 . 3.45 269 259 A 23 LEU H A 22 LEU HD2% 1.0 . 5.50 270 260 A 23 LEU H A 52 VAL HG1% 1.0 . 5.50 271 261 A 45 SER H A 46 CYS H 1.0 . 4.73 272 262 A 53 THR H A 46 CYS H 1.0 . 3.61 273 263 A 52 VAL HA A 46 CYS H 1.0 . 4.51 274 264 A 45 SER HB3 A 46 CYS H 1.0 . 3.93 275 265 A 45 SER HA A 46 CYS H 1.0 . 2.88 276 266 A 54 HIS HA A 46 CYS H 1.0 . 4.44 277 267 A 45 SER HB2 A 46 CYS H 1.0 . 4.31 278 268 A 46 CYS H A 22 LEU HD2% 1.0 . 3.72 279 269 A 64 ILE H A 71 PHE H 1.0 . 3.88 280 270 A 71 PHE HB2 A 64 ILE H 1.0 . 4.57 281 271 A 64 ILE H A 63 LYS HBy 1.0 . 3.16 282 272 A 64 ILE H A 64 ILE HB 1.0 . 3.32 283 273 A 64 ILE H A 64 ILE HG13 1.0 . 4.26 284 274 A 76 ALA H A 77 ALA HB% 1.0 . 4.79 285 275 A 86 LEU HG A 87 GLU H 1.0 . 4.58 286 276 A 86 LEU HD1% A 87 GLU H 1.0 . 4.49 287 277 A 76 ALA H A 77 ALA H 1.0 . 3.30 288 278 A 71 PHE HB3 A 76 ALA H 1.0 . 5.16 289 279 A 76 ALA H A 75 ASP HBy 1.0 . 3.43 290 280 A 76 ALA H A 76 ALA HB% 1.0 . 2.90 291 281 A 63 LYS H A 59 ALA HA 1.0 . 4.80 292 282 A 63 LYS H A 63 LYS HDx 1.0 . 4.99 293 283 A 61 GLU HA A 63 LYS H 1.0 . 4.68 294 284 A 28 GLY HA3 A 92 LYS H 1.0 . 4.28 295 285 A 92 LYS H A 28 GLY HA2 1.0 . 4.47 296 286 A 92 LYS HB2 A 92 LYS H 1.0 . 3.91 297 287 A 92 LYS H A 91 LEU HD2% 1.0 . 4.60 298 288 A 49 ASN H A 51 LYS H 1.0 . 4.87 299 289 A 49 ASN HBy A 51 LYS H 1.0 . 4.73 300 290 A 51 LYS H A 51 LYS HD2 1.0 . 4.37 301 290 A 51 LYS H A 51 LYS HD3 1.0 . 4.37 302 291 A 50 GLY H A 51 LYS H 1.0 . 3.35 303 292 A 51 LYS H A 48 GLU H 1.0 . 3.81 304 293 A 51 LYS H A 51 LYS HB2 1.0 . 3.61 305 293 A 51 LYS H A 51 LYS HB3 1.0 . 3.61 306 294 A 51 LYS H A 51 LYS HGy 1.0 . 4.09 307 295 A 51 LYS H A 51 LYS HGx 1.0 . 4.09 308 296 A 64 ILE H A 63 LYS H 1.0 . 4.62 309 297 A 62 GLY H A 63 LYS H 1.0 . 3.43 310 298 A 63 LYS H A 63 LYS HBy 1.0 . 3.71 311 299 A 63 LYS H A 63 LYS HBx 1.0 . 3.24 312 300 A 63 LYS H A 63 LYS HG2 1.0 . 3.50 313 300 A 63 LYS H A 63 LYS HG3 1.0 . 3.50 314 301 A 8 TRP HE3 A 32 VAL H 1.0 . 4.52 315 302 A 32 VAL H A 10 HIS HD2 1.0 . 4.21 316 303 A 32 VAL H A 9 TYR HA 1.0 . 3.84 317 304 A 32 VAL H A 31 LEU HA 1.0 . 3.25 318 305 A 32 VAL HB A 32 VAL H 1.0 . 3.57 319 306 A 31 LEU HD1% A 32 VAL H 1.0 . 4.13 320 307 A 31 LEU H A 32 VAL H 1.0 . 4.98 321 308 A 8 TRP HB2 A 32 VAL H 1.0 . 4.83 322 309 A 10 HIS HB2 A 32 VAL H 1.0 . 4.85 323 310 A 92 LYS H A 92 LYS HGy 1.0 . 4.76 324 311 A 92 LYS H A 91 LEU HB3 1.0 . 4.53 325 312 A 52 VAL H A 51 LYS HGy 1.0 . 4.74 326 313 A 52 VAL H A 51 LYS HGx 1.0 . 4.74 327 314 A 53 THR H A 52 VAL H 1.0 . 4.86 328 315 A 52 VAL H A 51 LYS HB2 1.0 . 2.78 329 315 A 51 LYS HB3 A 52 VAL H 1.0 . 2.78 330 316 A 52 VAL H A 51 LYS HD2 1.0 . 4.64 331 316 A 51 LYS HD3 A 52 VAL H 1.0 . 4.64 332 317 A 52 VAL HG2% A 52 VAL H 1.0 . 3.36 333 318 A 52 VAL HG1% A 52 VAL H 1.0 . 4.42 334 319 A 74 LEU H A 75 ASP H 1.0 . 3.67 335 320 A 74 LEU H A 73 ASN HA 1.0 . 3.23 336 321 A 74 LEU H A 73 ASN HBx 1.0 . 3.76 337 322 A 74 LEU H A 74 LEU HB2 1.0 . 3.28 338 323 A 64 ILE HG12 A 74 LEU H 1.0 . 4.05 339 324 A 74 LEU H A 64 ILE HD1% 1.0 . 4.32 340 325 A 4 ALA H A 3 GLU H 1.0 . 4.24 341 326 A 3 GLU H A 2 ALA HA 1.0 . 3.37 342 327 A 3 GLU H A 3 GLU HG2 1.0 . 4.39 343 327 A 3 GLU H A 3 GLU HG3 1.0 . 4.39 344 328 A 2 ALA HB% A 3 GLU H 1.0 . 4.03 345 329 A 71 PHE HB3 A 72 ASP H 1.0 . 3.77 346 330 A 72 ASP H A 72 ASP HBy 1.0 . 3.86 347 331 A 72 ASP H A 72 ASP HBx 1.0 . 3.86 348 332 A 76 ALA HB% A 72 ASP H 1.0 . 3.81 349 333 A 72 ASP H A 71 PHE HD% 1.0 . 4.43 350 334 A 74 LEU H A 73 ASN HBy 1.0 . 3.76 351 335 A 91 LEU HD2% A 91 LEU H 1.0 . 4.21 352 336 A 91 LEU H A 91 LEU HG 1.0 . 3.73 353 337 A 74 LEU H A 74 LEU HD2% 1.0 . 4.69 354 338 A 90 SER H A 89 SER HA 1.0 . 3.00 355 339 A 90 SER H A 90 SER HBy 1.0 . 3.97 356 340 A 85 GLU HA A 90 SER H 1.0 . 3.82 357 341 A 90 SER H A 90 SER HBx 1.0 . 3.97 358 342 A 85 GLU HB3 A 90 SER H 1.0 . 4.80 359 343 A 81 TYR H A 81 TYR HD% 1.0 . 4.11 360 344 A 81 TYR H A 81 TYR HB3 1.0 . 3.92 361 345 A 81 TYR H A 80 PHE HBx 1.0 . 4.13 362 346 A 81 TYR H A 91 LEU HD1% 1.0 . 4.61 363 347 A 81 TYR H A 80 PHE HBy 1.0 . 4.13 364 348 A 81 TYR H A 81 TYR HB2 1.0 . 3.55 365 349 A 25 MET H A 95 LEU HD1% 1.0 . 5.24 366 350 A 24 ARG H A 25 MET H 1.0 . 3.35 367 351 A 25 MET H A 23 LEU HA 1.0 . 4.32 368 352 A 25 MET H A 26 PRO HD2 1.0 . 4.92 369 353 A 25 MET H A 25 MET HGy 1.0 . 3.93 370 354 A 25 MET H A 25 MET HGx 1.0 . 3.46 371 355 A 25 MET H A 25 MET HBx 1.0 . 3.11 372 356 A 25 MET H A 22 LEU HD1% 1.0 . 4.77 373 357 A 75 ASP H A 8 TRP HZ2 1.0 . 4.48 374 358 A 75 ASP H A 75 ASP HBx 1.0 . 3.17 375 359 A 75 ASP H A 74 LEU HB3 1.0 . 3.79 376 360 A 22 LEU HB3 A 25 MET H 1.0 . 5.30 377 361 A 25 MET H A 29 THR HG2% 1.0 . 5.50 378 362 A 23 LEU H A 22 LEU H 1.0 . 3.13 379 363 A 22 LEU H A 21 SER HB2 1.0 . 3.46 380 363 A 22 LEU H A 21 SER HB3 1.0 . 3.46 381 364 A 22 LEU H A 22 LEU HB2 1.0 . 3.14 382 365 A 22 LEU HB3 A 22 LEU H 1.0 . 3.60 383 366 A 52 VAL HG2% A 22 LEU H 1.0 . 3.96 384 367 A 52 VAL HG1% A 22 LEU H 1.0 . 4.75 385 368 A 58 SER H A 65 ARG H 1.0 . 4.18 386 369 A 58 SER H A 57 LEU HA 1.0 . 3.07 387 370 A 58 SER H A 58 SER HBx 1.0 . 3.68 388 371 A 58 SER H A 57 LEU HB2 1.0 . 4.79 389 372 A 58 SER H A 65 ARG HBy 1.0 . 5.00 390 373 A 58 SER H A 57 LEU HG 1.0 . 4.80 391 374 A 58 SER H A 57 LEU HB3 1.0 . 4.54 392 375 A 58 SER H A 64 ILE HG2% 1.0 . 4.34 393 376 A 75 ASP H A 8 TRP HH2 1.0 . 4.64 394 377 A 75 ASP H A 74 LEU HB2 1.0 . 3.65 395 378 A 84 HIS HA A 85 GLU H 1.0 . 3.17 396 379 A 85 GLU H A 85 GLU HGx 1.0 . 4.11 397 380 A 85 GLU H A 85 GLU HB2 1.0 . 3.53 398 381 A 47 SER H A 47 SER HB3 1.0 . 3.53 399 382 A 47 SER H A 30 PHE HB3 1.0 . 4.49 400 383 A 29 THR H A 47 SER H 1.0 . 4.35 401 384 A 47 SER H A 30 PHE HA 1.0 . 4.11 402 385 A 47 SER H A 46 CYS HA 1.0 . 3.01 403 386 A 22 LEU HB3 A 47 SER H 1.0 . 4.57 404 387 A 22 LEU HD2% A 47 SER H 1.0 . 3.85 405 388 A 46 CYS H A 47 SER H 1.0 . 4.65 406 389 A 86 LEU H A 85 GLU H 1.0 . 5.37 407 390 A 82 MET H A 83 GLU H 1.0 . 3.59 408 391 A 85 GLU H A 84 HIS H 1.0 . 4.71 409 392 A 84 HIS H A 83 GLU HBx 1.0 . 4.70 410 393 A 42 TYR H A 41 ASP H 1.0 . 4.72 411 394 A 84 HIS H A 83 GLU HBy 1.0 . 4.70 412 395 A 42 TYR H A 41 ASP HA 1.0 . 3.27 413 396 A 42 TYR H A 41 ASP HB2 1.0 . 3.21 414 396 A 42 TYR H A 41 ASP HB3 1.0 . 3.21 415 397 A 42 TYR H A 42 TYR HB2 1.0 . 3.89 416 398 A 42 TYR H A 57 LEU HB2 1.0 . 4.20 417 399 A 42 TYR H A 57 LEU HB3 1.0 . 4.64 418 400 A 41 ASP H A 40 GLY H 1.0 . 3.42 419 401 A 41 ASP H A 35 SER HBx 1.0 . 3.95 420 402 A 41 ASP H A 41 ASP HB2 1.0 . 3.11 421 402 A 41 ASP H A 41 ASP HB3 1.0 . 3.11 422 403 A 78 ILE H A 78 ILE HB 1.0 . 3.29 423 404 A 78 ILE H A 78 ILE HG12 1.0 . 3.53 424 405 A 78 ILE H A 78 ILE HG13 1.0 . 3.80 425 406 A 42 TYR H A 57 LEU HD1% 1.0 . 4.74 426 407 A 52 VAL HG1% A 19 GLU H 1.0 . 4.76 427 408 A 13 LEU HD2% A 19 GLU H 1.0 . 5.11 428 409 A 17 ASP H A 19 GLU H 1.0 . 4.84 429 410 A 19 GLU H A 21 SER H 1.0 . 5.13 430 411 A 19 GLU H A 54 HIS HE1 1.0 . 4.55 431 412 A 19 GLU H A 19 GLU HG3 1.0 . 3.27 432 413 A 19 GLU H A 19 GLU HB2 1.0 . 3.14 433 414 A 18 ALA HB% A 19 GLU H 1.0 . 3.34 434 415 A 16 THR HG2% A 19 GLU H 1.0 . 5.04 435 416 A 19 GLU H A 15 ARG HB2 1.0 . 4.68 436 416 A 15 ARG HB3 A 19 GLU H 1.0 . 4.68 437 417 A 16 THR HG2% A 20 ASN H 1.0 . 4.73 438 418 A 55 TYR H A 54 HIS H 1.0 . 4.86 439 419 A 54 HIS H A 54 HIS HB2 1.0 . 3.72 440 420 A 53 THR HG2% A 54 HIS H 1.0 . 4.13 441 421 A 19 GLU H A 20 ASN H 1.0 . 3.45 442 422 A 20 ASN H A 16 THR HA 1.0 . 4.35 443 423 A 20 ASN H A 20 ASN HBx 1.0 . 3.11 444 424 A 19 GLU HB2 A 20 ASN H 1.0 . 3.46 445 425 A 22 LEU H A 20 ASN H 1.0 . 4.86 446 426 A 30 PHE HD1 A 93 GLN H 1.0 . 4.47 447 427 A 92 LYS H A 93 GLN H 1.0 . 3.58 448 428 A 30 PHE H A 93 GLN H 1.0 . 4.72 449 429 A 28 GLY HA2 A 93 GLN H 1.0 . 5.19 450 430 A 93 GLN H A 94 PRO HD2 1.0 . 5.45 451 430 A 93 GLN H A 94 PRO HD3 1.0 . 5.45 452 431 A 93 GLN H A 92 LYS HB3 1.0 . 3.95 453 432 A 92 LYS HB2 A 93 GLN H 1.0 . 3.72 454 433 A 83 GLU H A 84 HIS H 1.0 . 3.37 455 434 A 83 GLU H A 83 GLU HBx 1.0 . 4.19 456 435 A 31 LEU H A 30 PHE HA 1.0 . 3.09 457 436 A 31 LEU H A 46 CYS HA 1.0 . 4.35 458 437 A 31 LEU H A 30 PHE HB2 1.0 . 3.32 459 438 A 31 LEU H A 30 PHE HB3 1.0 . 3.77 460 439 A 31 LEU HG A 31 LEU H 1.0 . 3.35 461 440 A 44 LEU HG A 31 LEU H 1.0 . 4.77 462 441 A 31 LEU HD1% A 31 LEU H 1.0 . 4.54 463 442 A 31 LEU H A 22 LEU HD2% 1.0 . 3.90 464 443 A 31 LEU HD2% A 31 LEU H 1.0 . 4.36 465 444 A 40 GLY H A 39 PRO HB3 1.0 . 4.52 466 445 A 40 GLY H A 39 PRO HA 1.0 . 2.88 467 446 A 73 ASN HD2x A 72 ASP HBx 1.0 . 4.86 468 447 A 45 SER HB2 A 31 LEU H 1.0 . 4.56 469 448 A 24 ARG H A 23 LEU HD2% 1.0 . 5.39 470 449 A 24 ARG H A 23 LEU HA 1.0 . 3.56 471 450 A 77 ALA HB% A 79 THR H 1.0 . 4.75 472 451 A 79 THR H A 91 LEU HD1% 1.0 . 4.50 473 452 A 34 ASP H A 35 SER H 1.0 . 4.74 474 453 A 35 SER H A 42 TYR HD% 1.0 . 4.40 475 454 A 35 SER H A 42 TYR HA 1.0 . 3.20 476 455 A 35 SER H A 35 SER HBx 1.0 . 3.23 477 456 A 35 SER H A 35 SER HBy 1.0 . 3.36 478 457 A 34 ASP HB2 A 35 SER H 1.0 . 4.20 479 458 A 35 SER H A 43 VAL HG2% 1.0 . 4.46 480 459 A 42 TYR HB3 A 35 SER H 1.0 . 5.46 481 460 A 35 SER H A 41 ASP HB2 1.0 . 4.64 482 460 A 35 SER H A 41 ASP HB3 1.0 . 4.64 483 461 A 34 ASP HB3 A 35 SER H 1.0 . 4.27 484 462 A 73 ASN HD2y A 72 ASP HBy 1.0 . 4.86 485 463 A 73 ASN HD2y A 72 ASP HBx 1.0 . 4.86 486 464 A 73 ASN HD2x A 72 ASP HBy 1.0 . 4.86 487 465 A 76 ALA HB% A 73 ASN HD2x 1.0 . 4.74 488 466 A 77 ALA HA A 79 THR H 1.0 . 4.83 489 467 A 79 THR H A 78 ILE H 1.0 . 3.29 490 468 A 79 THR H A 79 THR HB 1.0 . 3.03 491 469 A 79 THR H A 78 ILE HB 1.0 . 3.39 492 470 A 79 THR H A 79 THR HG2% 1.0 . 4.01 493 471 A 79 THR H A 78 ILE HG12 1.0 . 4.69 494 472 A 79 THR H A 78 ILE HG2% 1.0 . 4.00 495 473 A 79 THR H A 75 ASP HA 1.0 . 4.64 496 474 A 88 TYR H A 87 GLU HBx 1.0 . 4.71 497 475 A 89 SER H A 88 TYR H 1.0 . 3.48 498 476 A 89 SER H A 89 SER HBx 1.0 . 4.20 499 477 A 89 SER H A 88 TYR HB2 1.0 . 4.16 500 478 A 89 SER H A 86 LEU HB2 1.0 . 5.39 501 479 A 22 LEU HD1% A 21 SER H 1.0 . 4.68 502 480 A 21 SER H A 20 ASN H 1.0 . 3.37 503 481 A 22 LEU H A 21 SER H 1.0 . 3.28 504 482 A 21 SER H A 21 SER HB2 1.0 . 3.00 505 482 A 21 SER HB3 A 21 SER H 1.0 . 3.00 506 483 A 28 GLY H A 27 GLU HBy 1.0 . 4.78 507 484 A 89 SER H A 48 GLU HGx 1.0 . 4.84 508 485 A 89 SER H A 48 GLU HGy 1.0 . 4.84 509 486 A 21 SER H A 20 ASN HBx 1.0 . 3.65 510 487 A 22 LEU HB2 A 21 SER H 1.0 . 5.17 511 488 A 23 LEU HBy A 21 SER H 1.0 . 5.50 512 489 A 6 ALA HB% A 8 TRP HE1 1.0 . 3.68 513 490 A 8 TRP H A 8 TRP HE1 1.0 . 4.81 514 491 A 75 ASP HBx A 8 TRP HE1 1.0 . 5.50 515 492 A 78 ILE HG13 A 8 TRP HE1 1.0 . 4.80 516 493 A 6 ALA HA A 8 TRP HE1 1.0 . 5.16 517 494 A 7 PRO HD2 A 8 TRP HE1 1.0 . 4.83 518 495 A 17 ASP H A 16 THR H 1.0 . 3.48 519 496 A 16 THR H A 15 ARG HD2 1.0 . 4.73 520 496 A 16 THR H A 15 ARG HD3 1.0 . 4.73 521 497 A 16 THR H A 15 ARG HB2 1.0 . 3.23 522 497 A 15 ARG HB3 A 16 THR H 1.0 . 3.23 523 498 A 16 THR HG2% A 16 THR H 1.0 . 3.89 524 499 A 16 THR H A 15 ARG HGx 1.0 . 5.00 525 500 A 20 ASN HA A 20 ASN HD2y 1.0 . 5.17 526 501 A 20 ASN HBx A 20 ASN HD2y 1.0 . 3.98 527 502 A 16 THR HG2% A 20 ASN HD2y 1.0 . 4.08 528 503 A 20 ASN HA A 20 ASN HD2x 1.0 . 5.17 529 504 A 20 ASN HBx A 20 ASN HD2x 1.0 . 3.98 530 505 A 15 ARG H A 16 THR H 1.0 . 3.76 531 506 A 44 LEU H A 43 VAL HA 1.0 . 3.08 532 507 A 44 LEU H A 44 LEU HB3 1.0 . 3.44 533 508 A 44 LEU H A 44 LEU HB2 1.0 . 3.71 534 509 A 44 LEU H A 55 TYR HD% 1.0 . 4.76 535 510 A 44 LEU H A 54 HIS HA 1.0 . 4.74 536 511 A 44 LEU H A 43 VAL HB 1.0 . 4.68 537 512 A 44 LEU H A 57 LEU HG 1.0 . 4.81 538 513 A 44 LEU H A 44 LEU HG 1.0 . 4.65 539 514 A 44 LEU H A 56 LYS HA 1.0 . 4.61 540 515 A 44 LEU H A 55 TYR HB2 1.0 . 4.11 541 515 A 44 LEU H A 55 TYR HB3 1.0 . 4.11 542 516 A 65 ARG HBy A 65 ARG H 1.0 . 3.69 543 517 A 65 ARG H A 64 ILE HA 1.0 . 3.15 544 518 A 65 ARG H A 65 ARG HBx 1.0 . 4.03 545 519 A 52 VAL HA A 48 GLU H 1.0 . 3.85 546 520 A 48 GLU H A 47 SER HB3 1.0 . 4.33 547 521 A 22 LEU HD2% A 48 GLU H 1.0 . 4.72 548 522 A 96 GLN HA A 97 ARG H 1.0 . 2.77 549 523 A 97 ARG H A 96 GLN HGx 1.0 . 5.50 550 524 A 97 ARG H A 96 GLN HGy 1.0 . 5.50 551 525 A 97 ARG H A 96 GLN HBy 1.0 . 4.35 552 526 A 97 ARG H A 97 ARG HBx 1.0 . 3.96 553 527 A 28 GLY H A 48 GLU H 1.0 . 5.50 554 528 A 53 THR HG2% A 48 GLU H 1.0 . 4.49 555 529 A 53 THR H A 48 GLU H 1.0 . 4.50 556 530 A 47 SER HA A 48 GLU H 1.0 . 2.82 557 531 A 48 GLU H A 47 SER HB2 1.0 . 4.49 558 532 A 48 GLU H A 48 GLU HBx 1.0 . 3.70 559 533 A 52 VAL HG2% A 48 GLU H 1.0 . 4.53 560 534 A 41 ASP HA A 59 ALA H 1.0 . 3.79 561 535 A 59 ALA H A 41 ASP HB2 1.0 . 4.61 562 535 A 41 ASP HB3 A 59 ALA H 1.0 . 4.61 563 536 A 59 ALA HB% A 59 ALA H 1.0 . 3.06 564 537 A 10 HIS H A 9 TYR HD% 1.0 . 3.89 565 538 A 10 HIS H A 10 HIS HB3 1.0 . 3.92 566 539 A 32 VAL HB A 10 HIS H 1.0 . 4.59 567 540 A 31 LEU HD1% A 10 HIS H 1.0 . 5.07 568 541 A 10 HIS H A 32 VAL H 1.0 . 4.22 569 542 A 11 GLY H A 10 HIS H 1.0 . 3.47 570 543 A 10 HIS H A 9 TYR HA 1.0 . 3.02 571 544 A 10 HIS HB2 A 10 HIS H 1.0 . 3.39 572 545 A 66 ILE HA A 67 ASP H 1.0 . 3.16 573 546 A 67 ASP H A 66 ILE HB 1.0 . 4.79 574 547 A 67 ASP H A 66 ILE HG13 1.0 . 4.11 575 548 A 67 ASP H A 65 ARG HG2 1.0 . 4.89 576 548 A 65 ARG HG3 A 67 ASP H 1.0 . 4.89 577 549 A 67 ASP H A 66 ILE HG12 1.0 . 4.12 578 550 A 95 LEU HA A 96 GLN H 1.0 . 2.87 579 551 A 96 GLN H A 96 GLN HGx 1.0 . 4.53 580 552 A 96 GLN H A 96 GLN HBx 1.0 . 3.64 581 553 A 96 GLN H A 95 LEU HG 1.0 . 3.78 582 554 A 95 LEU HD1% A 96 GLN H 1.0 . 3.49 583 555 A 29 THR HG2% A 96 GLN H 1.0 . 4.52 584 556 A 29 THR HG1 A 26 PRO HD3 1.0 . 4.79 585 557 A 25 MET HGx A 26 PRO HD3 1.0 . 5.05 586 558 A 26 PRO HD3 A 25 MET HA 1.0 . 3.01 587 559 A 29 THR HG2% A 26 PRO HD3 1.0 . 5.50 588 560 A 30 PHE HZ A 94 PRO HD2 1.0 . 4.58 589 560 A 94 PRO HD3 A 30 PHE HZ 1.0 . 4.58 590 561 A 30 PHE HE2 A 94 PRO HD2 1.0 . 5.49 591 561 A 94 PRO HD3 A 30 PHE HE2 1.0 . 5.49 592 562 A 93 GLN HA A 94 PRO HD2 1.0 . 2.87 593 562 A 94 PRO HD3 A 93 GLN HA 1.0 . 2.87 594 563 A 29 THR HG1 A 26 PRO HD2 1.0 . 4.34 595 564 A 26 PRO HD2 A 25 MET HA 1.0 . 3.36 596 565 A 11 GLY HA3 A 12 PRO HDx 1.0 . 3.21 597 566 A 26 PRO HD2 A 25 MET HGx 1.0 . 4.87 598 567 A 25 MET HBy A 26 PRO HD2 1.0 . 2.98 599 568 A 26 PRO HD2 A 29 THR HG2% 1.0 . 4.49 600 569 A 7 PRO HG3 A 6 ALA HA 1.0 . 4.78 601 570 A 11 GLY HA3 A 12 PRO HDy 1.0 . 3.21 602 571 A 7 PRO HD3 A 6 ALA HB% 1.0 . 3.82 603 572 A 5 ALA HB% A 9 TYR HD% 1.0 . 4.01 604 573 A 5 ALA HB% A 9 TYR HB3 1.0 . 4.32 605 574 A 7 PRO HD3 A 6 ALA HA 1.0 . 2.93 606 575 A 7 PRO HD2 A 6 ALA HA 1.0 . 3.08 607 576 A 7 PRO HG2 A 6 ALA HA 1.0 . 4.69 608 577 A 6 ALA HA A 5 ALA HB% 1.0 . 4.96 609 578 A 9 TYR HB2 A 5 ALA HB% 1.0 . 4.60 610 579 A 59 ALA HB% A 41 ASP HA 1.0 . 4.05 611 580 A 59 ALA HB% A 42 TYR HD% 1.0 . 4.97 612 581 A 76 ALA HB% A 73 ASN HD2y 1.0 . 4.74 613 582 A 76 ALA HB% A 77 ALA H 1.0 . 3.33 614 583 A 71 PHE HB3 A 76 ALA HB% 1.0 . 3.23 615 584 A 71 PHE HB2 A 76 ALA HB% 1.0 . 3.64 616 585 A 66 ILE H A 64 ILE HG2% 1.0 . 4.97 617 586 A 18 ALA HB% A 33 ARG HDy 1.0 . 4.03 618 587 A 18 ALA HB% A 19 GLU HG3 1.0 . 4.63 619 588 A 18 ALA HB% A 33 ARG HDx 1.0 . 4.03 620 589 A 13 LEU HG A 18 ALA HB% 1.0 . 3.84 621 590 A 13 LEU HD1% A 18 ALA HB% 1.0 . 4.44 622 591 A 13 LEU HD2% A 18 ALA HB% 1.0 . 3.24 623 592 A 31 LEU HD1% A 18 ALA HB% 1.0 . 3.49 624 593 A 18 ALA HB% A 52 VAL HG1% 1.0 . 3.60 625 594 A 31 LEU HD2% A 18 ALA HB% 1.0 . 3.54 626 595 A 18 ALA HB% A 21 SER H 1.0 . 5.50 627 596 A 77 ALA HB% A 78 ILE HD1% 1.0 . 4.00 628 597 A 77 ALA HB% A 78 ILE H 1.0 . 3.48 629 598 A 71 PHE HB3 A 77 ALA HB% 1.0 . 3.96 630 599 A 71 PHE HB2 A 77 ALA HB% 1.0 . 3.77 631 600 A 77 ALA HB% A 76 ALA HB% 1.0 . 4.00 632 601 A 77 ALA HB% A 66 ILE HG2% 1.0 . 3.91 633 602 A 77 ALA HB% A 57 LEU HD2% 1.0 . 3.40 634 603 A 77 ALA HB% A 74 LEU HD2% 1.0 . 4.30 635 604 A 65 ARG H A 64 ILE HG2% 1.0 . 3.86 636 605 A 64 ILE H A 64 ILE HG2% 1.0 . 4.04 637 606 A 71 PHE HD% A 64 ILE HG2% 1.0 . 3.89 638 607 A 64 ILE HG2% A 64 ILE HA 1.0 . 3.29 639 608 A 42 TYR HB2 A 64 ILE HG2% 1.0 . 4.91 640 609 A 64 ILE HG2% A 66 ILE HB 1.0 . 4.83 641 610 A 57 LEU HB3 A 64 ILE HG2% 1.0 . 3.06 642 611 A 77 ALA HB% A 64 ILE HG2% 1.0 . 3.19 643 612 A 64 ILE HG2% A 74 LEU HD2% 1.0 . 3.84 644 613 A 64 ILE HG2% A 66 ILE HA 1.0 . 5.19 645 614 A 64 ILE HG2% A 73 ASN HA 1.0 . 5.50 646 615 A 71 PHE HB3 A 64 ILE HG2% 1.0 . 5.25 647 616 A 71 PHE HB2 A 64 ILE HG2% 1.0 . 4.19 648 617 A 66 ILE HG2% A 64 ILE HG2% 1.0 . 3.99 649 618 A 25 MET H A 25 MET HE% 1.0 . 5.46 650 619 A 25 MET HA A 25 MET HE% 1.0 . 4.08 651 620 A 95 LEU HA A 25 MET HE% 1.0 . 4.19 652 621 A 29 THR HB A 25 MET HE% 1.0 . 3.93 653 622 A 26 PRO HD2 A 25 MET HE% 1.0 . 3.60 654 623 A 25 MET HGy A 25 MET HE% 1.0 . 3.63 655 624 A 95 LEU HD1% A 25 MET HE% 1.0 . 3.11 656 625 A 22 LEU HD1% A 25 MET HE% 1.0 . 4.35 657 626 A 95 LEU HD2% A 25 MET HE% 1.0 . 4.75 658 627 A 78 ILE HG2% A 8 TRP HE1 1.0 . 4.44 659 628 A 78 ILE H A 78 ILE HG2% 1.0 . 4.03 660 629 A 78 ILE HG2% A 30 PHE HE2 1.0 . 4.41 661 630 A 8 TRP HB3 A 78 ILE HG2% 1.0 . 4.55 662 631 A 78 ILE HG2% A 30 PHE HZ 1.0 . 3.61 663 632 A 78 ILE HG2% A 30 PHE HE1 1.0 . 4.31 664 633 A 79 THR HG2% A 78 ILE HG2% 1.0 . 5.50 665 634 A 91 LEU HG A 78 ILE HG2% 1.0 . 5.50 666 635 A 78 ILE HG12 A 78 ILE HG2% 1.0 . 3.66 667 636 A 91 LEU HB3 A 78 ILE HG2% 1.0 . 4.82 668 637 A 44 LEU HD2% A 78 ILE HG2% 1.0 . 4.50 669 638 A 78 ILE HG2% A 78 ILE HD1% 1.0 . 3.19 670 639 A 91 LEU HD1% A 78 ILE HG2% 1.0 . 3.29 671 640 A 93 GLN H A 82 MET HE% 1.0 . 4.86 672 641 A 30 PHE HZ A 82 MET HE% 1.0 . 3.97 673 642 A 30 PHE HE1 A 82 MET HE% 1.0 . 4.60 674 643 A 30 PHE HE2 A 82 MET HE% 1.0 . 4.65 675 644 A 93 GLN HA A 82 MET HE% 1.0 . 4.92 676 645 A 82 MET HE% A 92 LYS HA 1.0 . 4.77 677 646 A 82 MET HE% A 94 PRO HD2 1.0 . 4.19 678 646 A 94 PRO HD3 A 82 MET HE% 1.0 . 4.19 679 647 A 79 THR HG2% A 82 MET HE% 1.0 . 5.50 680 648 A 91 LEU HG A 82 MET HE% 1.0 . 5.50 681 649 A 78 ILE HG2% A 82 MET HE% 1.0 . 3.60 682 650 A 91 LEU HD1% A 82 MET HE% 1.0 . 4.54 683 651 A 6 ALA HB% A 5 ALA HA 1.0 . 4.58 684 652 A 6 ALA HB% A 7 PRO HA 1.0 . 5.05 685 653 A 7 PRO HD2 A 6 ALA HB% 1.0 . 3.56 686 654 A 6 ALA HB% A 9 TYR HB3 1.0 . 4.09 687 655 A 6 ALA HB% A 9 TYR HB2 1.0 . 3.90 688 656 A 7 PRO HG2 A 6 ALA HB% 1.0 . 4.41 689 657 A 6 ALA HB% A 5 ALA HB% 1.0 . 4.60 690 658 A 66 ILE HG2% A 66 ILE HA 1.0 . 3.96 691 659 A 66 ILE HG2% A 86 LEU HD2% 1.0 . 5.49 692 660 A 66 ILE HG2% A 67 ASP H 1.0 . 4.74 693 661 A 66 ILE HG2% A 69 HIS HD2 1.0 . 3.96 694 662 A 66 ILE HG2% A 71 PHE HE% 1.0 . 3.28 695 663 A 66 ILE HG2% A 66 ILE HG13 1.0 . 3.83 696 664 A 55 TYR HD% A 44 LEU HB3 1.0 . 4.67 697 665 A 44 LEU HB2 A 78 ILE HD1% 1.0 . 4.80 698 666 A 44 LEU HB3 A 43 VAL HG1% 1.0 . 5.50 699 667 A 10 HIS HD2 A 31 LEU HB2 1.0 . 4.22 700 668 A 44 LEU HB2 A 55 TYR HB2 1.0 . 3.83 701 668 A 44 LEU HB2 A 55 TYR HB3 1.0 . 3.83 702 669 A 44 LEU HB2 A 32 VAL HG2% 1.0 . 4.31 703 670 A 44 LEU HB2 A 44 LEU HD1% 1.0 . 3.53 704 671 A 44 LEU HB2 A 55 TYR HD% 1.0 . 4.98 705 672 A 92 LYS HB2 A 28 GLY HA2 1.0 . 4.55 706 673 A 46 CYS HA A 30 PHE HB2 1.0 . 4.58 707 674 A 44 LEU HD2% A 30 PHE HB2 1.0 . 4.83 708 675 A 91 LEU HD2% A 30 PHE HB2 1.0 . 3.88 709 676 A 91 LEU HB3 A 30 PHE HB3 1.0 . 4.80 710 677 A 32 VAL H A 31 LEU HB2 1.0 . 4.19 711 678 A 95 LEU HB2 A 31 LEU HB2 1.0 . 4.54 712 679 A 31 LEU HD1% A 31 LEU HB2 1.0 . 3.87 713 680 A 22 LEU HD1% A 31 LEU HB2 1.0 . 4.45 714 681 A 31 LEU HD2% A 31 LEU HB2 1.0 . 3.52 715 682 A 32 VAL H A 31 LEU HB3 1.0 . 3.96 716 683 A 69 HIS HE1 A 80 PHE HZ 1.0 . 4.66 717 684 A 45 SER HB3 A 54 HIS HE1 1.0 . 4.34 718 685 A 45 SER HB2 A 54 HIS HE1 1.0 . 4.83 719 686 A 54 HIS HE1 A 19 GLU HG3 1.0 . 3.73 720 687 A 54 HIS HE1 A 19 GLU HG2 1.0 . 3.87 721 688 A 54 HIS HE1 A 15 ARG HB2 1.0 . 4.86 722 688 A 15 ARG HB3 A 54 HIS HE1 1.0 . 4.86 723 689 A 18 ALA HB% A 54 HIS HE1 1.0 . 3.72 724 690 A 54 HIS HE1 A 15 ARG HGy 1.0 . 5.02 725 691 A 52 VAL HG1% A 54 HIS HE1 1.0 . 3.59 726 692 A 55 TYR HD% A 66 ILE HD1% 1.0 . 3.87 727 693 A 66 ILE HD1% A 81 TYR HE% 1.0 . 3.74 728 694 A 66 ILE HD1% A 55 TYR HB2 1.0 . 3.48 729 694 A 55 TYR HB3 A 66 ILE HD1% 1.0 . 3.48 730 695 A 66 ILE HD1% A 66 ILE HB 1.0 . 3.38 731 696 A 66 ILE HD1% A 66 ILE HG2% 1.0 . 3.00 732 697 A 77 ALA HB% A 66 ILE HD1% 1.0 . 4.34 733 698 A 66 ILE HD1% A 86 LEU HD2% 1.0 . 3.99 734 699 A 66 ILE HD1% A 66 ILE HA 1.0 . 4.47 735 700 A 57 LEU HB3 A 66 ILE HD1% 1.0 . 4.53 736 701 A 95 LEU HG A 10 HIS HE1 1.0 . 3.87 737 702 A 95 LEU HD2% A 10 HIS HE1 1.0 . 3.78 738 703 A 31 LEU HD2% A 10 HIS HE1 1.0 . 5.43 739 704 A 10 HIS HB2 A 13 LEU HB2 1.0 . 4.25 740 705 A 13 LEU HB2 A 13 LEU HD2% 1.0 . 3.45 741 706 A 13 LEU HB3 A 33 ARG HDx 1.0 . 4.15 742 707 A 13 LEU HB3 A 13 LEU HD1% 1.0 . 3.71 743 708 A 13 LEU HB3 A 33 ARG HDy 1.0 . 4.15 744 709 A 22 LEU HD1% A 22 LEU HB2 1.0 . 3.54 745 710 A 23 LEU H A 22 LEU HB2 1.0 . 4.47 746 711 A 22 LEU HB2 A 19 GLU HA 1.0 . 4.34 747 712 A 22 LEU HB3 A 22 LEU HD2% 1.0 . 3.26 748 713 A 57 LEU HD1% A 42 TYR HB3 1.0 . 4.05 749 714 A 42 TYR HB2 A 57 LEU HB2 1.0 . 3.49 750 715 A 42 TYR HB2 A 32 VAL HG1% 1.0 . 3.87 751 716 A 24 ARG HA A 24 ARG HDy 1.0 . 4.94 752 717 A 24 ARG HBy A 24 ARG HDy 1.0 . 4.04 753 718 A 24 ARG HBx A 24 ARG HDy 1.0 . 4.04 754 719 A 57 LEU HB2 A 42 TYR HB3 1.0 . 4.17 755 720 A 24 ARG HA A 24 ARG HDx 1.0 . 4.94 756 721 A 24 ARG HBx A 24 ARG HDx 1.0 . 4.04 757 722 A 24 ARG HDx A 24 ARG HBy 1.0 . 4.04 758 723 A 71 PHE HB2 A 72 ASP H 1.0 . 4.64 759 724 A 15 ARG HB2 A 15 ARG HD2 1.0 . 3.37 760 724 A 15 ARG HB3 A 15 ARG HD2 1.0 . 3.37 761 724 A 15 ARG HD3 A 15 ARG HB2 1.0 . 3.37 762 724 A 15 ARG HB3 A 15 ARG HD3 1.0 . 3.37 763 725 A 57 LEU HB2 A 42 TYR HD% 1.0 . 4.46 764 726 A 74 LEU H A 74 LEU HB3 1.0 . 3.97 765 727 A 57 LEU HB3 A 42 TYR HD% 1.0 . 4.70 766 728 A 57 LEU HB3 A 42 TYR HB3 1.0 . 5.01 767 729 A 56 LYS HA A 57 LEU HB2 1.0 . 4.98 768 730 A 64 ILE HG13 A 74 LEU HB2 1.0 . 4.81 769 731 A 64 ILE HG13 A 74 LEU HB3 1.0 . 5.50 770 732 A 42 TYR HB2 A 57 LEU HB3 1.0 . 3.94 771 733 A 56 LYS HE3 A 56 LYS HGx 1.0 . 3.79 772 733 A 56 LYS HGx A 56 LYS HE2 1.0 . 3.79 773 734 A 56 LYS HE2 A 56 LYS HGy 1.0 . 3.79 774 734 A 56 LYS HE3 A 56 LYS HGy 1.0 . 3.79 775 735 A 53 THR HG2% A 51 LYS HEy 1.0 . 4.18 776 736 A 53 THR HG2% A 51 LYS HEx 1.0 . 4.18 777 737 A 43 VAL HG2% A 41 ASP HB2 1.0 . 5.07 778 737 A 41 ASP HB3 A 43 VAL HG2% 1.0 . 5.07 779 738 A 43 VAL HG2% A 56 LYS HE2 1.0 . 5.44 780 738 A 43 VAL HG2% A 56 LYS HE3 1.0 . 5.44 781 739 A 24 ARG H A 23 LEU HBy 1.0 . 4.50 782 740 A 20 ASN HA A 23 LEU HBy 1.0 . 4.52 783 741 A 24 ARG H A 23 LEU HBx 1.0 . 4.23 784 742 A 23 LEU HBx A 23 LEU HD1% 1.0 . 3.72 785 743 A 23 LEU HBx A 23 LEU HD2% 1.0 . 3.72 786 744 A 95 LEU HB3 A 10 HIS HE1 1.0 . 4.77 787 745 A 95 LEU HB3 A 29 THR HG2% 1.0 . 4.29 788 746 A 95 LEU HB3 A 95 LEU HD2% 1.0 . 3.47 789 747 A 31 LEU HD2% A 95 LEU HB3 1.0 . 4.41 790 748 A 94 PRO HA A 95 LEU HB3 1.0 . 4.97 791 749 A 95 LEU HB2 A 95 LEU HD2% 1.0 . 4.17 792 750 A 74 LEU HB2 A 75 ASP HBx 1.0 . 5.50 793 751 A 76 ALA HB% A 75 ASP HBx 1.0 . 5.50 794 752 A 88 TYR HD% A 87 GLU HGy 1.0 . 4.94 795 753 A 88 TYR H A 88 TYR HD% 1.0 . 3.92 796 754 A 88 TYR HD% A 88 TYR HA 1.0 . 3.60 797 755 A 49 ASN HBy A 88 TYR HD% 1.0 . 4.68 798 756 A 49 ASN HBx A 88 TYR HD% 1.0 . 3.94 799 757 A 49 ASN HBy A 88 TYR HB3 1.0 . 5.50 800 758 A 89 SER H A 88 TYR HB3 1.0 . 4.34 801 759 A 48 GLU HBy A 88 TYR HB3 1.0 . 4.10 802 760 A 49 ASN HBx A 88 TYR HB3 1.0 . 4.75 803 761 A 49 ASN HBx A 88 TYR HB2 1.0 . 4.94 804 762 A 88 TYR H A 88 TYR HB2 1.0 . 4.09 805 763 A 48 GLU HBy A 88 TYR HB2 1.0 . 3.65 806 764 A 75 ASP HBy A 75 ASP H 1.0 . 3.47 807 765 A 75 ASP HBy A 8 TRP HZ2 1.0 . 4.82 808 766 A 87 GLU H A 88 TYR HD% 1.0 . 4.92 809 767 A 55 TYR HD% A 54 HIS HA 1.0 . 4.60 810 768 A 88 TYR HD% A 87 GLU HA 1.0 . 5.50 811 769 A 44 LEU HG A 55 TYR HD% 1.0 . 3.63 812 770 A 55 TYR HD% A 86 LEU HD2% 1.0 . 4.31 813 771 A 44 LEU HB3 A 55 TYR HB2 1.0 . 3.46 814 771 A 55 TYR HB3 A 44 LEU HB3 1.0 . 3.46 815 772 A 9 TYR HD% A 74 LEU HD1% 1.0 . 4.67 816 773 A 42 TYR H A 42 TYR HD% 1.0 . 3.87 817 774 A 34 ASP H A 42 TYR HD% 1.0 . 4.82 818 775 A 55 TYR HD% A 54 HIS H 1.0 . 4.85 819 776 A 42 TYR HD% A 42 TYR HA 1.0 . 3.76 820 777 A 42 TYR HD% A 41 ASP HB2 1.0 . 4.81 821 777 A 42 TYR HD% A 41 ASP HB3 1.0 . 4.81 822 778 A 42 TYR HD% A 64 ILE HD1% 1.0 . 3.48 823 779 A 44 LEU HD2% A 55 TYR HD% 1.0 . 3.69 824 780 A 86 LEU HD2% A 81 TYR HD% 1.0 . 4.98 825 781 A 91 LEU HD1% A 91 LEU HB2 1.0 . 4.03 826 782 A 91 LEU HB3 A 91 LEU HD1% 1.0 . 4.12 827 783 A 8 TRP HE3 A 9 TYR HD% 1.0 . 4.25 828 784 A 9 TYR HD% A 8 TRP HZ3 1.0 . 4.27 829 785 A 9 TYR HA A 9 TYR HD% 1.0 . 3.20 830 786 A 11 GLY HA2 A 9 TYR HD% 1.0 . 4.76 831 787 A 32 VAL HB A 9 TYR HD% 1.0 . 3.60 832 788 A 32 VAL HG1% A 9 TYR HD% 1.0 . 3.46 833 789 A 11 GLY H A 9 TYR HD% 1.0 . 4.09 834 790 A 32 VAL HG2% A 9 TYR HD% 1.0 . 4.58 835 791 A 68 THR H A 67 ASP HBy 1.0 . 4.14 836 792 A 68 THR H A 67 ASP HBx 1.0 . 4.14 837 793 A 65 ARG H A 64 ILE HD1% 1.0 . 4.36 838 794 A 64 ILE H A 64 ILE HD1% 1.0 . 4.34 839 795 A 64 ILE HD1% A 64 ILE HA 1.0 . 2.96 840 796 A 73 ASN HA A 64 ILE HD1% 1.0 . 4.36 841 797 A 74 LEU HA A 64 ILE HD1% 1.0 . 4.18 842 798 A 64 ILE HB A 64 ILE HD1% 1.0 . 3.77 843 799 A 64 ILE HD1% A 74 LEU HD2% 1.0 . 3.72 844 800 A 78 ILE H A 78 ILE HD1% 1.0 . 3.95 845 801 A 30 PHE HZ A 78 ILE HD1% 1.0 . 4.38 846 802 A 44 LEU HB3 A 78 ILE HD1% 1.0 . 5.50 847 803 A 78 ILE HD1% A 82 MET HE% 1.0 . 5.50 848 804 A 78 ILE HD1% A 8 TRP HZ3 1.0 . 4.40 849 805 A 30 PHE HE2 A 78 ILE HD1% 1.0 . 4.72 850 806 A 78 ILE HB A 78 ILE HD1% 1.0 . 3.87 851 807 A 74 LEU HB3 A 78 ILE HD1% 1.0 . 4.50 852 808 A 32 VAL HG1% A 78 ILE HD1% 1.0 . 4.42 853 809 A 44 LEU HD1% A 78 ILE HD1% 1.0 . 3.27 854 810 A 13 LEU HD1% A 17 ASP HBy 1.0 . 3.75 855 811 A 13 LEU HB2 A 17 ASP HBy 1.0 . 5.50 856 812 A 13 LEU HB3 A 17 ASP HBy 1.0 . 5.50 857 813 A 13 LEU HG A 17 ASP HBx 1.0 . 4.06 858 814 A 14 SER H A 17 ASP HBx 1.0 . 4.29 859 815 A 18 ALA H A 17 ASP HBx 1.0 . 4.10 860 816 A 17 ASP H A 17 ASP HBx 1.0 . 3.80 861 817 A 13 LEU HB2 A 17 ASP HBx 1.0 . 5.50 862 818 A 13 LEU HB3 A 17 ASP HBx 1.0 . 5.50 863 819 A 60 GLU H A 64 ILE HD1% 1.0 . 5.01 864 820 A 42 TYR HB3 A 64 ILE HD1% 1.0 . 5.48 865 821 A 42 TYR HB2 A 64 ILE HD1% 1.0 . 4.91 866 822 A 71 PHE HE% A 80 PHE HBy 1.0 . 3.96 867 823 A 71 PHE HZ A 80 PHE HBy 1.0 . 4.59 868 824 A 71 PHE HD% A 64 ILE HB 1.0 . 4.55 869 825 A 57 LEU HA A 66 ILE HB 1.0 . 4.39 870 826 A 64 ILE HB A 73 ASN HA 1.0 . 4.88 871 827 A 64 ILE HB A 74 LEU HA 1.0 . 4.94 872 828 A 63 LYS HBy A 64 ILE HB 1.0 . 5.13 873 829 A 71 PHE HB3 A 64 ILE HB 1.0 . 4.21 874 830 A 71 PHE HB2 A 64 ILE HB 1.0 . 3.63 875 831 A 54 HIS H A 53 THR HB 1.0 . 3.46 876 832 A 55 TYR HD% A 53 THR HB 1.0 . 4.94 877 833 A 88 TYR HD% A 53 THR HB 1.0 . 5.41 878 834 A 71 PHE HD% A 71 PHE HZ 1.0 . 3.92 879 835 A 71 PHE HD% A 77 ALA HA 1.0 . 4.28 880 836 A 76 ALA HB% A 71 PHE HD% 1.0 . 3.84 881 837 A 66 ILE HG2% A 71 PHE HD% 1.0 . 3.63 882 838 A 77 ALA HB% A 71 PHE HD% 1.0 . 3.77 883 839 A 77 ALA HB% A 71 PHE HE% 1.0 . 4.29 884 840 A 76 ALA HB% A 71 PHE HE% 1.0 . 4.57 885 841 A 57 LEU HD2% A 71 PHE HE% 1.0 . 4.82 886 842 A 66 ILE HD1% A 71 PHE HE% 1.0 . 5.21 887 843 A 66 ILE HB A 71 PHE HE% 1.0 . 4.87 888 844 A 71 PHE HE% A 80 PHE HBx 1.0 . 3.96 889 845 A 86 LEU HB3 A 86 LEU HD2% 1.0 . 3.90 890 846 A 86 LEU HB2 A 86 LEU HD1% 1.0 . 3.72 891 847 A 86 LEU HB3 A 55 TYR HE% 1.0 . 4.53 892 848 A 20 ASN H A 20 ASN HBy 1.0 . 3.57 893 849 A 16 THR H A 16 THR HB 1.0 . 3.47 894 850 A 29 THR HB A 22 LEU HA 1.0 . 3.72 895 851 A 19 GLU HG3 A 16 THR HA 1.0 . 4.41 896 852 A 52 VAL HB A 19 GLU HG3 1.0 . 4.39 897 853 A 16 THR HG2% A 19 GLU HG3 1.0 . 5.50 898 854 A 16 THR HG2% A 20 ASN HBy 1.0 . 5.50 899 855 A 52 VAL HG2% A 19 GLU HG2 1.0 . 4.20 900 856 A 29 THR HB A 25 MET HGy 1.0 . 4.80 901 857 A 29 THR HB A 47 SER H 1.0 . 4.64 902 858 A 52 VAL HG2% A 19 GLU HG3 1.0 . 4.73 903 859 A 9 TYR HB2 A 8 TRP HE3 1.0 . 4.31 904 860 A 32 VAL HB A 9 TYR HB2 1.0 . 4.43 905 861 A 19 GLU H A 19 GLU HG2 1.0 . 4.16 906 862 A 29 THR HB A 22 LEU HB2 1.0 . 5.49 907 863 A 28 GLY HA2 A 27 GLU HG2 1.0 . 3.82 908 863 A 27 GLU HG3 A 28 GLY HA2 1.0 . 3.82 909 864 A 49 ASN H A 27 GLU HG2 1.0 . 4.21 910 864 A 27 GLU HG3 A 49 ASN H 1.0 . 4.21 911 865 A 28 GLY H A 27 GLU HG2 1.0 . 3.96 912 865 A 27 GLU HG3 A 28 GLY H 1.0 . 3.96 913 866 A 28 GLY HA3 A 27 GLU HG2 1.0 . 5.05 914 866 A 27 GLU HG3 A 28 GLY HA3 1.0 . 5.05 915 867 A 47 SER HG A 27 GLU HG2 1.0 . 5.50 916 867 A 27 GLU HG3 A 47 SER HG 1.0 . 5.50 917 868 A 8 TRP HB2 A 30 PHE HZ 1.0 . 4.77 918 869 A 30 PHE HZ A 94 PRO HB3 1.0 . 4.66 919 870 A 91 LEU HD1% A 30 PHE HZ 1.0 . 5.10 920 871 A 8 TRP HB3 A 30 PHE HZ 1.0 . 4.72 921 872 A 61 GLU H A 61 GLU HGy 1.0 . 4.80 922 873 A 85 GLU H A 85 GLU HGy 1.0 . 4.11 923 874 A 85 GLU HA A 85 GLU HGy 1.0 . 4.07 924 875 A 69 HIS HB2 A 71 PHE HZ 1.0 . 4.52 925 876 A 69 HIS HB3 A 71 PHE HZ 1.0 . 4.50 926 877 A 66 ILE HG2% A 71 PHE HZ 1.0 . 4.76 927 878 A 86 LEU HD1% A 81 TYR HB3 1.0 . 4.57 928 879 A 91 LEU HG A 81 TYR HB3 1.0 . 3.91 929 880 A 81 TYR HB3 A 91 LEU HD1% 1.0 . 4.11 930 881 A 81 TYR HB3 A 91 LEU HB2 1.0 . 5.41 931 882 A 91 LEU HG A 81 TYR HB2 1.0 . 4.29 932 883 A 91 LEU HD1% A 81 TYR HB2 1.0 . 4.02 933 884 A 86 LEU HD1% A 81 TYR HB2 1.0 . 4.95 934 885 A 91 LEU HD2% A 81 TYR HB2 1.0 . 5.46 935 886 A 85 GLU HGy A 90 SER HBx 1.0 . 5.50 936 887 A 8 TRP HD1 A 94 PRO HG3 1.0 . 4.01 937 888 A 8 TRP HD1 A 30 PHE HZ 1.0 . 4.35 938 889 A 8 TRP HD1 A 7 PRO HD2 1.0 . 4.69 939 890 A 8 TRP HD1 A 8 TRP HB3 1.0 . 3.67 940 891 A 8 TRP HD1 A 6 ALA HB% 1.0 . 4.24 941 892 A 8 TRP HD1 A 78 ILE HG2% 1.0 . 4.82 942 893 A 71 PHE HZ A 80 PHE HBx 1.0 . 4.59 943 894 A 79 THR HA A 82 MET HBy 1.0 . 4.19 944 895 A 79 THR HA A 82 MET HBx 1.0 . 4.19 945 896 A 78 ILE HG2% A 79 THR HA 1.0 . 4.29 946 897 A 91 LEU HD1% A 79 THR HA 1.0 . 4.98 947 898 A 82 MET H A 79 THR HA 1.0 . 4.51 948 899 A 87 GLU HA A 87 GLU HGy 1.0 . 4.03 949 900 A 88 TYR HD% A 87 GLU HGx 1.0 . 4.94 950 901 A 8 TRP HD1 A 8 TRP HA 1.0 . 4.93 951 902 A 43 VAL HB A 33 ARG HDy 1.0 . 5.50 952 903 A 43 VAL HB A 35 SER HBy 1.0 . 5.50 953 904 A 33 ARG H A 43 VAL HB 1.0 . 4.66 954 905 A 43 VAL HB A 33 ARG HDx 1.0 . 5.50 955 906 A 19 GLU H A 16 THR HA 1.0 . 4.08 956 907 A 16 THR HG2% A 16 THR HA 1.0 . 3.28 957 908 A 48 GLU HBy A 88 TYR HD% 1.0 . 4.06 958 909 A 48 GLU HBy A 53 THR HG2% 1.0 . 4.38 959 910 A 49 ASN H A 48 GLU HBx 1.0 . 4.94 960 911 A 48 GLU HBx A 88 TYR HD% 1.0 . 4.22 961 912 A 88 TYR HB2 A 48 GLU HBx 1.0 . 4.10 962 913 A 77 ALA HB% A 78 ILE HB 1.0 . 4.88 963 914 A 27 GLU HG3 A 89 SER HBy 1.0 . 4.25 964 914 A 89 SER HBy A 27 GLU HG2 1.0 . 4.25 965 915 A 89 SER H A 89 SER HBy 1.0 . 4.20 966 916 A 90 SER H A 89 SER HBy 1.0 . 4.77 967 917 A 63 LYS HBy A 63 LYS HDx 1.0 . 3.91 968 918 A 48 GLU HBx A 88 TYR HB3 1.0 . 4.92 969 919 A 64 ILE H A 63 LYS HBx 1.0 . 4.10 970 920 A 51 LYS HB2 A 51 LYS HD2 1.0 . 3.33 971 920 A 51 LYS HB3 A 51 LYS HD2 1.0 . 3.33 972 920 A 51 LYS HD3 A 51 LYS HB2 1.0 . 3.33 973 920 A 51 LYS HD3 A 51 LYS HB3 1.0 . 3.33 974 921 A 63 LYS HDx A 63 LYS HBx 1.0 . 3.84 975 922 A 48 GLU HBy A 89 SER HBy 1.0 . 5.03 976 923 A 90 SER H A 89 SER HBx 1.0 . 4.77 977 924 A 27 GLU HG3 A 89 SER HBx 1.0 . 4.25 978 924 A 27 GLU HG2 A 89 SER HBx 1.0 . 4.25 979 925 A 48 GLU HBy A 89 SER HBx 1.0 . 5.03 980 926 A 45 SER HB3 A 54 HIS HA 1.0 . 4.90 981 927 A 45 SER HB3 A 31 LEU HG 1.0 . 4.40 982 928 A 45 SER HB3 A 18 ALA HB% 1.0 . 4.20 983 929 A 45 SER HB3 A 31 LEU HD1% 1.0 . 4.11 984 930 A 45 SER HB3 A 52 VAL HG1% 1.0 . 3.34 985 931 A 44 LEU HA A 45 SER HB2 1.0 . 5.30 986 932 A 45 SER HB2 A 31 LEU HG 1.0 . 3.76 987 933 A 45 SER HB2 A 18 ALA HB% 1.0 . 4.19 988 934 A 45 SER HB2 A 22 LEU HD2% 1.0 . 3.61 989 935 A 45 SER HB2 A 52 VAL HG1% 1.0 . 4.17 990 936 A 28 GLY HA3 A 92 LYS HB3 1.0 . 4.44 991 937 A 92 LYS HB2 A 28 GLY HA3 1.0 . 4.00 992 938 A 92 LYS HB2 A 91 LEU HA 1.0 . 4.97 993 939 A 32 VAL HB A 8 TRP HZ3 1.0 . 4.23 994 940 A 32 VAL HB A 8 TRP HE3 1.0 . 3.44 995 941 A 13 LEU HD2% A 33 ARG HBy 1.0 . 5.27 996 942 A 31 LEU HD1% A 33 ARG HBy 1.0 . 5.50 997 943 A 13 LEU HB3 A 33 ARG HBy 1.0 . 4.02 998 944 A 48 GLU H A 51 LYS HB2 1.0 . 5.25 999 944 A 48 GLU H A 51 LYS HB3 1.0 . 5.25 1000 945 A 13 LEU HB3 A 33 ARG HBx 1.0 . 4.02 1001 946 A 13 LEU HD2% A 33 ARG HBx 1.0 . 5.27 1002 947 A 31 LEU HD1% A 33 ARG HBx 1.0 . 5.50 1003 948 A 85 GLU HGx A 90 SER HBx 1.0 . 5.50 1004 949 A 96 GLN H A 96 GLN HGy 1.0 . 4.53 1005 950 A 65 ARG H A 58 SER HBy 1.0 . 4.98 1006 951 A 65 ARG HBy A 58 SER HBy 1.0 . 3.90 1007 952 A 58 SER H A 58 SER HBy 1.0 . 3.68 1008 953 A 90 SER HBy A 85 GLU HGx 1.0 . 5.50 1009 954 A 85 GLU HGy A 90 SER HBy 1.0 . 5.50 1010 955 A 65 ARG H A 58 SER HBx 1.0 . 4.98 1011 956 A 25 MET HGy A 22 LEU HA 1.0 . 3.61 1012 957 A 55 TYR H A 54 HIS HB2 1.0 . 4.87 1013 958 A 25 MET HGx A 25 MET HA 1.0 . 4.10 1014 959 A 25 MET HGx A 22 LEU HA 1.0 . 3.69 1015 960 A 25 MET HGx A 22 LEU HD1% 1.0 . 4.24 1016 961 A 65 ARG HG3 A 58 SER HBy 1.0 . 4.62 1017 961 A 58 SER HBy A 65 ARG HG2 1.0 . 4.62 1018 962 A 65 ARG HBy A 58 SER HBx 1.0 . 3.90 1019 963 A 65 ARG HG3 A 58 SER HBx 1.0 . 4.62 1020 963 A 58 SER HBx A 65 ARG HG2 1.0 . 4.62 1021 964 A 43 VAL HG1% A 54 HIS HB2 1.0 . 3.92 1022 965 A 41 ASP H A 39 PRO HA 1.0 . 4.34 1023 966 A 29 THR HB A 25 MET HGx 1.0 . 4.87 1024 967 A 13 LEU HB2 A 10 HIS HB3 1.0 . 3.75 1025 968 A 13 LEU HD1% A 10 HIS HB3 1.0 . 4.47 1026 969 A 13 LEU HD2% A 10 HIS HB3 1.0 . 3.69 1027 970 A 10 HIS HB2 A 13 LEU HG 1.0 . 5.50 1028 971 A 10 HIS HB2 A 13 LEU HB3 1.0 . 3.94 1029 972 A 10 HIS HB2 A 31 LEU HD1% 1.0 . 4.42 1030 973 A 57 LEU H A 56 LYS HB2 1.0 . 4.24 1031 973 A 57 LEU H A 56 LYS HB3 1.0 . 4.24 1032 974 A 74 LEU HA A 8 TRP HH2 1.0 . 4.94 1033 975 A 8 TRP HH2 A 75 ASP HA 1.0 . 4.20 1034 976 A 74 LEU HB2 A 8 TRP HH2 1.0 . 4.11 1035 977 A 74 LEU HB3 A 8 TRP HH2 1.0 . 3.70 1036 978 A 32 VAL HG2% A 8 TRP HH2 1.0 . 4.82 1037 979 A 8 TRP HH2 A 74 LEU HD1% 1.0 . 4.08 1038 980 A 6 ALA HB% A 8 TRP HH2 1.0 . 4.45 1039 981 A 8 TRP HH2 A 78 ILE HG13 1.0 . 5.06 1040 982 A 8 TRP HH2 A 78 ILE HD1% 1.0 . 5.50 1041 983 A 29 THR HA A 93 GLN H 1.0 . 3.95 1042 984 A 29 THR HA A 93 GLN HBy 1.0 . 5.50 1043 985 A 22 LEU HG A 21 SER HB2 1.0 . 5.00 1044 985 A 21 SER HB3 A 22 LEU HG 1.0 . 5.00 1045 986 A 22 LEU HD1% A 21 SER HB2 1.0 . 3.55 1046 986 A 22 LEU HD1% A 21 SER HB3 1.0 . 3.55 1047 987 A 52 VAL HB A 52 VAL H 1.0 . 3.52 1048 988 A 52 VAL HB A 19 GLU HG2 1.0 . 3.61 1049 989 A 95 LEU HD1% A 21 SER HB2 1.0 . 3.93 1050 989 A 95 LEU HD1% A 21 SER HB3 1.0 . 3.93 1051 990 A 31 LEU HD2% A 21 SER HB2 1.0 . 4.20 1052 990 A 31 LEU HD2% A 21 SER HB3 1.0 . 4.20 1053 991 A 69 HIS HB2 A 66 ILE HB 1.0 . 5.50 1054 992 A 93 GLN H A 93 GLN HG2 1.0 . 4.13 1055 992 A 93 GLN H A 93 GLN HG3 1.0 . 4.13 1056 993 A 29 THR HA A 93 GLN HG2 1.0 . 4.18 1057 993 A 29 THR HA A 93 GLN HG3 1.0 . 4.18 1058 994 A 93 GLN HA A 93 GLN HG2 1.0 . 4.09 1059 994 A 93 GLN HA A 93 GLN HG3 1.0 . 4.09 1060 995 A 93 GLN HG3 A 94 PRO HD2 1.0 . 4.06 1061 995 A 93 GLN HG2 A 94 PRO HD2 1.0 . 4.06 1062 995 A 94 PRO HD3 A 93 GLN HG2 1.0 . 4.06 1063 995 A 94 PRO HD3 A 93 GLN HG3 1.0 . 4.06 1064 996 A 69 HIS HB3 A 71 PHE HE% 1.0 . 4.28 1065 997 A 66 ILE HG2% A 69 HIS HB3 1.0 . 4.68 1066 998 A 29 THR H A 47 SER HB2 1.0 . 4.42 1067 999 A 25 MET HBx A 47 SER HB2 1.0 . 5.50 1068 1000 A 28 GLY H A 47 SER HB2 1.0 . 4.28 1069 1001 A 47 SER H A 47 SER HB2 1.0 . 3.48 1070 1002 A 22 LEU HD2% A 47 SER HB2 1.0 . 4.48 1071 1003 A 22 LEU HB2 A 47 SER HB3 1.0 . 4.69 1072 1004 A 25 MET HBx A 47 SER HB3 1.0 . 4.55 1073 1005 A 22 LEU HB3 A 47 SER HB3 1.0 . 3.86 1074 1006 A 22 LEU HD1% A 47 SER HB3 1.0 . 4.93 1075 1007 A 52 VAL HG1% A 47 SER HB3 1.0 . 5.42 1076 1008 A 28 GLY H A 47 SER HB3 1.0 . 4.95 1077 1009 A 29 THR H A 47 SER HB3 1.0 . 5.00 1078 1010 A 52 VAL HG2% A 47 SER HB3 1.0 . 4.77 1079 1011 A 42 TYR HA A 35 SER HBx 1.0 . 4.78 1080 1012 A 35 SER HBx A 41 ASP HB2 1.0 . 3.58 1081 1012 A 41 ASP HB3 A 35 SER HBx 1.0 . 3.58 1082 1013 A 35 SER HBy A 41 ASP HB2 1.0 . 3.52 1083 1013 A 41 ASP HB3 A 35 SER HBy 1.0 . 3.52 1084 1014 A 35 SER HBy A 43 VAL HG2% 1.0 . 3.71 1085 1015 A 69 HIS HB2 A 71 PHE HE% 1.0 . 3.90 1086 1016 A 69 HIS HB2 A 66 ILE HG2% 1.0 . 4.03 1087 1017 A 91 LEU HB2 A 82 MET HGy 1.0 . 4.28 1088 1018 A 91 LEU HB3 A 82 MET HGy 1.0 . 4.98 1089 1019 A 78 ILE HG2% A 82 MET HGy 1.0 . 4.46 1090 1020 A 91 LEU HD1% A 82 MET HGy 1.0 . 4.86 1091 1021 A 91 LEU HB3 A 82 MET HGx 1.0 . 4.98 1092 1022 A 91 LEU HB2 A 82 MET HGx 1.0 . 4.28 1093 1023 A 91 LEU HD1% A 82 MET HGx 1.0 . 4.86 1094 1024 A 78 ILE HG2% A 82 MET HGx 1.0 . 4.46 1095 1025 A 26 PRO HB3 A 29 THR HG1 1.0 . 5.02 1096 1026 A 71 PHE HD% A 69 HIS HB3 1.0 . 5.32 1097 1027 A 65 ARG HBy A 64 ILE HA 1.0 . 4.73 1098 1028 A 29 THR HG1 A 26 PRO HB2 1.0 . 4.32 1099 1029 A 66 ILE H A 65 ARG HBx 1.0 . 4.90 1100 1030 A 65 ARG HE A 65 ARG HBx 1.0 . 4.60 1101 1031 A 29 THR HG1 A 47 SER HB2 1.0 . 5.20 1102 1032 A 47 SER HB3 A 46 CYS HA 1.0 . 5.16 1103 1033 A 65 ARG HBx A 70 LEU HA 1.0 . 4.94 1104 1034 A 95 LEU H A 94 PRO HB2 1.0 . 4.34 1105 1035 A 8 TRP HD1 A 94 PRO HB2 1.0 . 4.40 1106 1036 A 8 TRP HA A 94 PRO HB2 1.0 . 4.14 1107 1037 A 8 TRP HB3 A 94 PRO HB2 1.0 . 3.88 1108 1038 A 30 PHE HZ A 94 PRO HB2 1.0 . 5.16 1109 1039 A 95 LEU H A 94 PRO HB3 1.0 . 4.22 1110 1040 A 8 TRP HA A 94 PRO HB3 1.0 . 3.99 1111 1041 A 8 TRP HD1 A 94 PRO HB3 1.0 . 4.49 1112 1042 A 83 GLU H A 80 PHE HA 1.0 . 4.81 1113 1043 A 80 PHE HA A 84 HIS HD2 1.0 . 4.56 1114 1044 A 79 THR HG2% A 80 PHE HA 1.0 . 4.33 1115 1045 A 81 TYR HD% A 78 ILE HA 1.0 . 4.71 1116 1046 A 81 TYR HB2 A 78 ILE HA 1.0 . 4.40 1117 1047 A 77 ALA HA A 78 ILE HA 1.0 . 4.97 1118 1048 A 77 ALA HB% A 78 ILE HA 1.0 . 4.76 1119 1049 A 78 ILE HG12 A 78 ILE HA 1.0 . 4.02 1120 1050 A 78 ILE HG2% A 78 ILE HA 1.0 . 3.46 1121 1051 A 78 ILE HD1% A 78 ILE HA 1.0 . 3.16 1122 1052 A 91 LEU HD1% A 78 ILE HA 1.0 . 3.52 1123 1053 A 46 CYS H A 46 CYS HBy 1.0 . 4.18 1124 1054 A 47 SER H A 46 CYS HBy 1.0 . 4.48 1125 1055 A 30 PHE HB2 A 46 CYS HBy 1.0 . 5.12 1126 1056 A 91 LEU HD2% A 46 CYS HBy 1.0 . 4.32 1127 1057 A 55 TYR HE% A 46 CYS HBy 1.0 . 4.69 1128 1058 A 46 CYS H A 46 CYS HBx 1.0 . 4.18 1129 1059 A 8 TRP HB3 A 30 PHE HE2 1.0 . 4.95 1130 1060 A 8 TRP HB3 A 31 LEU HA 1.0 . 4.80 1131 1061 A 47 SER H A 46 CYS HBx 1.0 . 4.48 1132 1062 A 55 TYR HE% A 46 CYS HBx 1.0 . 4.69 1133 1063 A 30 PHE HB2 A 46 CYS HBx 1.0 . 5.12 1134 1064 A 8 TRP HB3 A 94 PRO HG3 1.0 . 4.48 1135 1065 A 91 LEU HD2% A 46 CYS HBx 1.0 . 4.32 1136 1066 A 83 GLU H A 83 GLU HBy 1.0 . 4.19 1137 1067 A 8 TRP HB2 A 30 PHE HE2 1.0 . 4.74 1138 1068 A 8 TRP HB2 A 31 LEU HA 1.0 . 4.32 1139 1069 A 8 TRP HB2 A 94 PRO HB3 1.0 . 4.15 1140 1070 A 8 TRP HB3 A 94 PRO HG2 1.0 . 5.50 1141 1071 A 8 TRP HB3 A 94 PRO HB3 1.0 . 3.73 1142 1072 A 97 ARG H A 97 ARG HBy 1.0 . 3.96 1143 1073 A 97 ARG HD3 A 97 ARG HBy 1.0 . 4.14 1144 1073 A 97 ARG HBy A 97 ARG HD2 1.0 . 4.14 1145 1074 A 97 ARG HD3 A 97 ARG HBx 1.0 . 4.14 1146 1074 A 97 ARG HBx A 97 ARG HD2 1.0 . 4.14 1147 1075 A 32 VAL HA A 44 LEU HA 1.0 . 3.47 1148 1076 A 32 VAL HA A 33 ARG HGx 1.0 . 4.34 1149 1077 A 32 VAL HA A 31 LEU HD1% 1.0 . 3.95 1150 1078 A 52 VAL HA A 47 SER HB3 1.0 . 4.87 1151 1079 A 43 VAL HA A 42 TYR HA 1.0 . 4.66 1152 1080 A 94 PRO HA A 29 THR HA 1.0 . 4.79 1153 1081 A 8 TRP HB3 A 94 PRO HA 1.0 . 4.58 1154 1082 A 29 THR HA A 93 GLN HBx 1.0 . 4.91 1155 1083 A 88 TYR H A 87 GLU HBy 1.0 . 4.71 1156 1084 A 93 GLN H A 93 GLN HBy 1.0 . 4.20 1157 1085 A 93 GLN HBy A 94 PRO HD2 1.0 . 3.82 1158 1085 A 94 PRO HD3 A 93 GLN HBy 1.0 . 3.82 1159 1086 A 87 GLU H A 87 GLU HBx 1.0 . 3.86 1160 1087 A 47 SER HA A 52 VAL HA 1.0 . 3.83 1161 1088 A 94 PRO HA A 95 LEU HB2 1.0 . 4.79 1162 1089 A 94 PRO HA A 29 THR HG2% 1.0 . 4.64 1163 1090 A 29 THR HB A 25 MET HBx 1.0 . 3.71 1164 1091 A 26 PRO HD2 A 25 MET HBx 1.0 . 4.00 1165 1092 A 22 LEU HB3 A 25 MET HBx 1.0 . 4.55 1166 1093 A 25 MET HBx A 29 THR HG2% 1.0 . 4.69 1167 1094 A 29 THR HG1 A 25 MET HBx 1.0 . 4.68 1168 1095 A 25 MET HBy A 22 LEU HA 1.0 . 4.37 1169 1096 A 29 THR HB A 25 MET HBy 1.0 . 3.62 1170 1097 A 25 MET HBy A 25 MET H 1.0 . 4.15 1171 1098 A 25 MET HBy A 29 THR HG2% 1.0 . 3.90 1172 1099 A 25 MET HBy A 22 LEU HD1% 1.0 . 4.64 1173 1100 A 29 THR HG1 A 25 MET HBy 1.0 . 4.88 1174 1101 A 86 LEU H A 85 GLU HB2 1.0 . 4.52 1175 1102 A 85 GLU HB3 A 89 SER HA 1.0 . 4.91 1176 1103 A 90 SER HA A 85 GLU HB3 1.0 . 5.50 1177 1104 A 28 GLY H A 27 GLU HBx 1.0 . 4.78 1178 1105 A 84 HIS HA A 85 GLU HB2 1.0 . 4.82 1179 1106 A 18 ALA H A 15 ARG HA 1.0 . 4.16 1180 1107 A 54 HIS HE1 A 15 ARG HA 1.0 . 4.72 1181 1108 A 14 SER HA A 15 ARG HA 1.0 . 5.19 1182 1109 A 18 ALA HB% A 15 ARG HA 1.0 . 3.56 1183 1110 A 15 ARG HGy A 15 ARG HA 1.0 . 3.83 1184 1111 A 15 ARG HGx A 15 ARG HA 1.0 . 3.60 1185 1112 A 19 GLU HG2 A 19 GLU HA 1.0 . 3.70 1186 1113 A 52 VAL HB A 19 GLU HA 1.0 . 3.81 1187 1114 A 52 VAL HG1% A 19 GLU HA 1.0 . 3.23 1188 1115 A 23 LEU H A 19 GLU HA 1.0 . 4.67 1189 1116 A 22 LEU H A 19 GLU HA 1.0 . 4.50 1190 1117 A 19 GLU HG3 A 19 GLU HA 1.0 . 3.96 1191 1118 A 18 ALA HB% A 19 GLU HA 1.0 . 4.49 1192 1119 A 96 GLN H A 96 GLN HBy 1.0 . 3.64 1193 1120 A 97 ARG H A 96 GLN HBx 1.0 . 4.35 1194 1121 A 56 LYS HA A 56 LYS HD2 1.0 . 4.79 1195 1121 A 56 LYS HA A 56 LYS HD3 1.0 . 4.79 1196 1122 A 56 LYS HB3 A 56 LYS HD2 1.0 . 3.34 1197 1122 A 56 LYS HD3 A 56 LYS HB2 1.0 . 3.34 1198 1122 A 56 LYS HB3 A 56 LYS HD3 1.0 . 3.34 1199 1122 A 56 LYS HB2 A 56 LYS HD2 1.0 . 3.34 1200 1123 A 63 LYS HBy A 63 LYS HDy 1.0 . 3.88 1201 1124 A 63 LYS HDx A 72 ASP HA 1.0 . 4.76 1202 1125 A 87 GLU HA A 87 GLU HGx 1.0 . 4.03 1203 1126 A 18 ALA HB% A 19 GLU HB3 1.0 . 5.50 1204 1127 A 43 VAL HG1% A 54 HIS HD2 1.0 . 5.50 1205 1128 A 53 THR HG2% A 54 HIS HD2 1.0 . 5.50 1206 1129 A 54 HIS H A 53 THR HA 1.0 . 3.01 1207 1130 A 54 HIS HB2 A 53 THR HA 1.0 . 4.84 1208 1131 A 53 THR HG2% A 53 THR HA 1.0 . 3.26 1209 1132 A 52 VAL HG1% A 53 THR HA 1.0 . 4.94 1210 1133 A 52 VAL HG1% A 19 GLU HB2 1.0 . 4.89 1211 1134 A 52 VAL HG2% A 19 GLU HB2 1.0 . 4.59 1212 1135 A 19 GLU H A 19 GLU HB3 1.0 . 3.97 1213 1136 A 20 ASN H A 19 GLU HB3 1.0 . 4.26 1214 1137 A 52 VAL HG1% A 19 GLU HB3 1.0 . 4.42 1215 1138 A 92 LYS HA A 92 LYS HD2 1.0 . 3.98 1216 1138 A 92 LYS HA A 92 LYS HD3 1.0 . 3.98 1217 1139 A 28 GLY HA3 A 92 LYS HD2 1.0 . 4.52 1218 1139 A 28 GLY HA3 A 92 LYS HD3 1.0 . 4.52 1219 1140 A 54 HIS H A 54 HIS HD2 1.0 . 4.10 1220 1141 A 54 HIS HD2 A 53 THR HA 1.0 . 4.28 1221 1142 A 54 HIS HB2 A 54 HIS HD2 1.0 . 3.51 1222 1143 A 9 TYR HA A 8 TRP HZ3 1.0 . 4.79 1223 1144 A 52 VAL HA A 53 THR HA 1.0 . 4.90 1224 1145 A 19 GLU HB2 A 16 THR HA 1.0 . 3.60 1225 1146 A 31 LEU HD2% A 31 LEU HA 1.0 . 4.51 1226 1147 A 45 SER HB2 A 31 LEU HD2% 1.0 . 4.38 1227 1148 A 10 HIS HB2 A 31 LEU HD2% 1.0 . 4.88 1228 1149 A 31 LEU HD2% A 31 LEU HB3 1.0 . 3.01 1229 1150 A 31 LEU HD2% A 95 LEU HB2 1.0 . 4.16 1230 1151 A 31 LEU HD2% A 95 LEU HD1% 1.0 . 4.54 1231 1152 A 31 LEU HD2% A 22 LEU HD1% 1.0 . 3.02 1232 1153 A 9 TYR HB2 A 8 TRP HZ3 1.0 . 4.64 1233 1154 A 74 LEU HB3 A 8 TRP HZ3 1.0 . 4.86 1234 1155 A 66 ILE HA A 66 ILE HG13 1.0 . 3.86 1235 1156 A 66 ILE HG13 A 55 TYR HB2 1.0 . 4.82 1236 1156 A 55 TYR HB3 A 66 ILE HG13 1.0 . 4.82 1237 1157 A 57 LEU HA A 66 ILE HG12 1.0 . 5.21 1238 1158 A 66 ILE HA A 66 ILE HG12 1.0 . 4.19 1239 1159 A 69 HIS HD2 A 67 ASP HBy 1.0 . 4.28 1240 1160 A 69 HIS HD2 A 67 ASP HBx 1.0 . 4.28 1241 1161 A 84 HIS HD2 A 83 GLU HBx 1.0 . 4.87 1242 1162 A 84 HIS HD2 A 83 GLU HBy 1.0 . 4.87 1243 1163 A 8 TRP HD1 A 7 PRO HG2 1.0 . 4.40 1244 1164 A 55 TYR HD% A 66 ILE HG13 1.0 . 5.27 1245 1165 A 24 ARG H A 24 ARG HG2 1.0 . 4.02 1246 1165 A 24 ARG H A 24 ARG HG3 1.0 . 4.02 1247 1166 A 84 HIS HA A 84 HIS HD2 1.0 . 4.79 1248 1167 A 55 TYR HD% A 45 SER HA 1.0 . 4.73 1249 1168 A 45 SER HA A 54 HIS HA 1.0 . 3.45 1250 1169 A 45 SER HA A 22 LEU HD2% 1.0 . 4.62 1251 1170 A 45 SER HA A 54 HIS HB3 1.0 . 4.91 1252 1171 A 45 SER HA A 43 VAL HG1% 1.0 . 4.76 1253 1172 A 25 MET HA A 26 PRO HG2 1.0 . 4.19 1254 1172 A 26 PRO HG3 A 25 MET HA 1.0 . 4.19 1255 1173 A 29 THR HG1 A 26 PRO HG2 1.0 . 4.61 1256 1173 A 29 THR HG1 A 26 PRO HG3 1.0 . 4.61 1257 1174 A 44 LEU HG A 55 TYR HB2 1.0 . 4.22 1258 1174 A 44 LEU HG A 55 TYR HB3 1.0 . 4.22 1259 1175 A 44 LEU HG A 91 LEU HD2% 1.0 . 5.20 1260 1176 A 43 VAL HA A 56 LYS HA 1.0 . 3.81 1261 1177 A 56 LYS HA A 43 VAL HG2% 1.0 . 4.45 1262 1178 A 78 ILE HB A 75 ASP HA 1.0 . 3.62 1263 1179 A 78 ILE HG13 A 75 ASP HA 1.0 . 4.51 1264 1180 A 47 SER HG A 27 GLU HA 1.0 . 4.00 1265 1181 A 10 HIS HE1 A 97 ARG HA 1.0 . 3.82 1266 1182 A 97 ARG HA A 97 ARG HD2 1.0 . 4.88 1267 1182 A 97 ARG HD3 A 97 ARG HA 1.0 . 4.88 1268 1183 A 74 LEU HA A 74 LEU HG 1.0 . 3.79 1269 1184 A 77 ALA HB% A 74 LEU HA 1.0 . 3.35 1270 1185 A 64 ILE HG2% A 74 LEU HA 1.0 . 3.95 1271 1186 A 74 LEU HA A 74 LEU HD2% 1.0 . 3.37 1272 1187 A 57 LEU HG A 44 LEU HB3 1.0 . 4.21 1273 1188 A 54 HIS HE1 A 15 ARG HGx 1.0 . 4.69 1274 1189 A 78 ILE H A 75 ASP HA 1.0 . 4.02 1275 1190 A 78 ILE HG12 A 75 ASP HA 1.0 . 4.52 1276 1191 A 78 ILE HG2% A 75 ASP HA 1.0 . 4.51 1277 1192 A 28 GLY H A 27 GLU HA 1.0 . 2.96 1278 1193 A 29 THR H A 27 GLU HA 1.0 . 4.19 1279 1194 A 47 SER HB3 A 27 GLU HA 1.0 . 4.41 1280 1195 A 27 GLU HA A 27 GLU HG2 1.0 . 3.45 1281 1195 A 27 GLU HG3 A 27 GLU HA 1.0 . 3.45 1282 1196 A 28 GLY HA2 A 27 GLU HA 1.0 . 4.41 1283 1197 A 23 LEU HA A 23 LEU HG 1.0 . 3.94 1284 1198 A 7 PRO HG3 A 8 TRP HD1 1.0 . 4.46 1285 1199 A 93 GLN HA A 94 PRO HG2 1.0 . 4.66 1286 1200 A 30 PHE HZ A 94 PRO HG3 1.0 . 4.75 1287 1201 A 57 LEU HG A 57 LEU HA 1.0 . 4.17 1288 1202 A 57 LEU HG A 55 TYR HB2 1.0 . 4.68 1289 1202 A 57 LEU HG A 55 TYR HB3 1.0 . 4.68 1290 1203 A 57 LEU HG A 66 ILE HB 1.0 . 4.70 1291 1204 A 57 LEU HG A 66 ILE HG2% 1.0 . 4.16 1292 1205 A 20 ASN HA A 23 LEU HG 1.0 . 5.17 1293 1206 A 56 LYS HA A 57 LEU HG 1.0 . 5.50 1294 1207 A 57 LEU HG A 42 TYR HB3 1.0 . 5.50 1295 1208 A 24 ARG H A 23 LEU HG 1.0 . 4.83 1296 1209 A 23 LEU H A 23 LEU HG 1.0 . 4.69 1297 1210 A 46 CYS HA A 22 LEU HG 1.0 . 4.97 1298 1211 A 65 ARG H A 65 ARG HG2 1.0 . 4.95 1299 1211 A 65 ARG HG3 A 65 ARG H 1.0 . 4.95 1300 1212 A 97 ARG H A 97 ARG HGy 1.0 . 4.36 1301 1213 A 97 ARG H A 97 ARG HGx 1.0 . 4.36 1302 1214 A 86 LEU HG A 81 TYR HD% 1.0 . 4.26 1303 1215 A 86 LEU HG A 81 TYR HB3 1.0 . 4.63 1304 1216 A 44 LEU H A 57 LEU HD1% 1.0 . 4.00 1305 1217 A 57 LEU HD1% A 42 TYR HD% 1.0 . 4.85 1306 1218 A 57 LEU HD1% A 44 LEU HA 1.0 . 4.67 1307 1219 A 57 LEU HD1% A 57 LEU HA 1.0 . 3.98 1308 1220 A 42 TYR HB2 A 57 LEU HD1% 1.0 . 3.57 1309 1221 A 57 LEU HD1% A 44 LEU HB3 1.0 . 3.76 1310 1222 A 57 LEU HD1% A 44 LEU HB2 1.0 . 3.15 1311 1223 A 22 LEU HD2% A 22 LEU HA 1.0 . 4.08 1312 1224 A 11 GLY H A 9 TYR HA 1.0 . 4.85 1313 1225 A 8 TRP HE3 A 9 TYR HA 1.0 . 3.96 1314 1226 A 32 VAL HB A 9 TYR HA 1.0 . 3.69 1315 1227 A 32 VAL HG2% A 9 TYR HA 1.0 . 4.86 1316 1228 A 20 ASN H A 17 ASP HA 1.0 . 4.39 1317 1229 A 14 SER HA A 15 ARG HB2 1.0 . 5.29 1318 1229 A 14 SER HA A 15 ARG HB3 1.0 . 5.29 1319 1230 A 43 VAL HB A 35 SER HA 1.0 . 5.50 1320 1231 A 14 SER HA A 15 ARG HGy 1.0 . 4.66 1321 1232 A 35 SER HA A 41 ASP HB2 1.0 . 5.50 1322 1232 A 41 ASP HB3 A 35 SER HA 1.0 . 5.50 1323 1233 A 72 ASP HA A 63 LYS HE2 1.0 . 5.50 1324 1233 A 72 ASP HA A 63 LYS HE3 1.0 . 5.50 1325 1234 A 63 LYS HBy A 72 ASP HA 1.0 . 4.98 1326 1235 A 77 ALA H A 75 ASP HA 1.0 . 4.96 1327 1236 A 90 SER HA A 85 GLU HA 1.0 . 3.49 1328 1237 A 85 GLU HA A 85 GLU HGx 1.0 . 4.07 1329 1238 A 85 GLU HA A 86 LEU HB3 1.0 . 5.16 1330 1239 A 22 LEU H A 22 LEU HG 1.0 . 4.28 1331 1240 A 52 VAL HG2% A 22 LEU HG 1.0 . 4.91 1332 1241 A 95 LEU HD1% A 22 LEU HG 1.0 . 5.22 1333 1242 A 47 SER HB3 A 22 LEU HG 1.0 . 4.76 1334 1243 A 65 ARG HA A 65 ARG HG2 1.0 . 3.75 1335 1243 A 65 ARG HA A 65 ARG HG3 1.0 . 3.75 1336 1244 A 64 ILE H A 63 LYS HG2 1.0 . 4.46 1337 1244 A 64 ILE H A 63 LYS HG3 1.0 . 4.46 1338 1245 A 74 LEU H A 74 LEU HG 1.0 . 4.74 1339 1246 A 8 TRP HH2 A 74 LEU HG 1.0 . 4.68 1340 1247 A 8 TRP HZ3 A 74 LEU HG 1.0 . 4.87 1341 1248 A 71 PHE H A 70 LEU HG 1.0 . 4.90 1342 1249 A 70 LEU H A 70 LEU HG 1.0 . 4.77 1343 1250 A 63 LYS HBy A 70 LEU HG 1.0 . 4.16 1344 1251 A 63 LYS HDx A 70 LEU HG 1.0 . 4.06 1345 1252 A 22 LEU HD2% A 22 LEU H 1.0 . 4.12 1346 1253 A 22 LEU HD2% A 47 SER HB3 1.0 . 4.28 1347 1254 A 45 SER HB3 A 22 LEU HD2% 1.0 . 3.66 1348 1255 A 22 LEU HD2% A 30 PHE HB3 1.0 . 5.02 1349 1256 A 22 LEU HD2% A 22 LEU HB2 1.0 . 3.08 1350 1257 A 52 VAL HG2% A 22 LEU HD2% 1.0 . 3.95 1351 1258 A 31 LEU HD1% A 22 LEU HD2% 1.0 . 3.97 1352 1259 A 31 LEU HD2% A 22 LEU HD2% 1.0 . 3.54 1353 1260 A 32 VAL HG2% A 78 ILE HG13 1.0 . 4.62 1354 1261 A 78 ILE HG13 A 78 ILE HG2% 1.0 . 3.90 1355 1262 A 34 ASP H A 9 TYR HE% 1.0 . 4.58 1356 1263 A 11 GLY H A 9 TYR HE% 1.0 . 4.07 1357 1264 A 33 ARG HA A 9 TYR HE% 1.0 . 4.36 1358 1265 A 9 TYR HA A 9 TYR HE% 1.0 . 4.55 1359 1266 A 11 GLY HA2 A 9 TYR HE% 1.0 . 3.97 1360 1267 A 32 VAL HG1% A 9 TYR HE% 1.0 . 3.93 1361 1268 A 11 GLY HA3 A 9 TYR HE% 1.0 . 4.43 1362 1269 A 20 ASN HBx A 17 ASP HA 1.0 . 3.98 1363 1270 A 63 LYS HDy A 72 ASP HA 1.0 . 3.80 1364 1271 A 72 ASP HA A 63 LYS HG2 1.0 . 3.56 1365 1271 A 63 LYS HG3 A 72 ASP HA 1.0 . 3.56 1366 1272 A 71 PHE HB3 A 72 ASP HA 1.0 . 4.83 1367 1273 A 23 LEU HA A 24 ARG HA 1.0 . 4.74 1368 1274 A 13 LEU HD2% A 13 LEU HA 1.0 . 4.17 1369 1275 A 57 LEU HB2 A 57 LEU HD1% 1.0 . 2.92 1370 1276 A 95 LEU HD2% A 21 SER HB2 1.0 . 3.41 1371 1276 A 95 LEU HD2% A 21 SER HB3 1.0 . 3.41 1372 1277 A 31 LEU HD2% A 95 LEU HD2% 1.0 . 3.37 1373 1278 A 46 CYS H A 55 TYR HE% 1.0 . 4.61 1374 1279 A 42 TYR HA A 42 TYR HE% 1.0 . 4.75 1375 1280 A 59 ALA HB% A 42 TYR HE% 1.0 . 4.21 1376 1281 A 64 ILE HD1% A 42 TYR HE% 1.0 . 3.52 1377 1282 A 61 GLU HA A 60 GLU HA 1.0 . 4.44 1378 1283 A 13 LEU HG A 17 ASP HBy 1.0 . 4.06 1379 1284 A 33 ARG H A 33 ARG HGy 1.0 . 4.22 1380 1285 A 10 HIS HB2 A 13 LEU HD2% 1.0 . 3.77 1381 1286 A 13 LEU HB3 A 13 LEU HD2% 1.0 . 3.31 1382 1287 A 55 TYR H A 55 TYR HE% 1.0 . 4.84 1383 1288 A 44 LEU HD1% A 55 TYR HE% 1.0 . 5.42 1384 1289 A 66 ILE HD1% A 55 TYR HE% 1.0 . 5.50 1385 1290 A 53 THR HB A 55 TYR HE% 1.0 . 3.72 1386 1291 A 53 THR HG2% A 55 TYR HE% 1.0 . 4.06 1387 1292 A 86 LEU HD1% A 55 TYR HE% 1.0 . 3.66 1388 1293 A 86 LEU HD2% A 55 TYR HE% 1.0 . 4.30 1389 1294 A 32 VAL HG1% A 42 TYR HE% 1.0 . 4.84 1390 1295 A 41 ASP HA A 42 TYR HE% 1.0 . 4.79 1391 1296 A 32 VAL HG1% A 9 TYR HA 1.0 . 4.63 1392 1297 A 32 VAL HG1% A 42 TYR HA 1.0 . 5.14 1393 1298 A 3 GLU HA A 3 GLU HG2 1.0 . 3.78 1394 1298 A 3 GLU HA A 3 GLU HG3 1.0 . 3.78 1395 1299 A 2 ALA HB% A 3 GLU HA 1.0 . 4.96 1396 1300 A 3 GLU HA A 4 ALA HB% 1.0 . 5.31 1397 1301 A 63 LYS HE2 A 63 LYS HG2 1.0 . 3.58 1398 1301 A 63 LYS HE3 A 63 LYS HG2 1.0 . 3.58 1399 1301 A 63 LYS HG3 A 63 LYS HE2 1.0 . 3.58 1400 1301 A 63 LYS HG3 A 63 LYS HE3 1.0 . 3.58 1401 1302 A 64 ILE HG12 A 64 ILE H 1.0 . 4.12 1402 1303 A 64 ILE HG12 A 64 ILE HA 1.0 . 4.20 1403 1304 A 64 ILE HG12 A 73 ASN HA 1.0 . 4.08 1404 1305 A 64 ILE HG12 A 74 LEU HA 1.0 . 4.56 1405 1306 A 64 ILE HG13 A 73 ASN HA 1.0 . 4.54 1406 1307 A 74 LEU HA A 64 ILE HG13 1.0 . 4.04 1407 1308 A 64 ILE HG2% A 64 ILE HG13 1.0 . 3.45 1408 1309 A 74 LEU H A 64 ILE HG13 1.0 . 5.07 1409 1310 A 44 LEU HG A 86 LEU HD1% 1.0 . 4.86 1410 1311 A 87 GLU H A 55 TYR HE% 1.0 . 5.50 1411 1312 A 88 TYR HE% A 87 GLU HGx 1.0 . 4.14 1412 1313 A 88 TYR HE% A 51 LYS HEx 1.0 . 5.50 1413 1314 A 88 TYR HE% A 51 LYS HEy 1.0 . 5.50 1414 1315 A 49 ASN HBy A 88 TYR HE% 1.0 . 4.98 1415 1316 A 88 TYR HE% A 87 GLU HGy 1.0 . 4.14 1416 1317 A 53 THR HG2% A 88 TYR HE% 1.0 . 3.83 1417 1318 A 42 TYR HA A 35 SER HBy 1.0 . 4.59 1418 1319 A 43 VAL HB A 42 TYR HA 1.0 . 5.11 1419 1320 A 57 LEU HB2 A 42 TYR HA 1.0 . 5.37 1420 1321 A 45 SER H A 31 LEU HD1% 1.0 . 4.17 1421 1322 A 31 LEU HD1% A 33 ARG HE 1.0 . 4.41 1422 1323 A 33 ARG HA A 31 LEU HD1% 1.0 . 4.77 1423 1324 A 45 SER HB2 A 31 LEU HD1% 1.0 . 3.55 1424 1325 A 44 LEU HD2% A 78 ILE HA 1.0 . 5.20 1425 1326 A 44 LEU HD2% A 44 LEU HB3 1.0 . 3.54 1426 1327 A 44 LEU HB2 A 44 LEU HD2% 1.0 . 3.53 1427 1328 A 44 LEU HD2% A 86 LEU HD1% 1.0 . 3.36 1428 1329 A 44 LEU HD2% A 86 LEU HD2% 1.0 . 4.07 1429 1330 A 44 LEU H A 44 LEU HD2% 1.0 . 4.94 1430 1331 A 44 LEU HD2% A 55 TYR HE% 1.0 . 4.85 1431 1332 A 44 LEU HD2% A 55 TYR HB2 1.0 . 3.68 1432 1332 A 44 LEU HD2% A 55 TYR HB3 1.0 . 3.68 1433 1333 A 44 LEU HD2% A 78 ILE HD1% 1.0 . 3.71 1434 1334 A 44 LEU HD2% A 91 LEU HD1% 1.0 . 4.05 1435 1335 A 55 TYR HD% A 86 LEU HD1% 1.0 . 5.22 1436 1336 A 86 LEU HD1% A 81 TYR HD% 1.0 . 5.47 1437 1337 A 86 LEU HD1% A 55 TYR HB2 1.0 . 5.08 1438 1337 A 55 TYR HB3 A 86 LEU HD1% 1.0 . 5.08 1439 1338 A 86 LEU HB3 A 86 LEU HD1% 1.0 . 3.78 1440 1339 A 66 ILE HD1% A 86 LEU HD1% 1.0 . 4.03 1441 1340 A 86 LEU HD1% A 91 LEU HD1% 1.0 . 4.83 1442 1341 A 71 PHE HZ A 81 TYR HE% 1.0 . 4.99 1443 1342 A 66 ILE HB A 81 TYR HE% 1.0 . 4.99 1444 1343 A 66 ILE HG2% A 81 TYR HE% 1.0 . 3.55 1445 1344 A 86 LEU HD2% A 81 TYR HE% 1.0 . 4.46 1446 1345 A 30 PHE HB3 A 46 CYS HA 1.0 . 3.68 1447 1346 A 91 LEU HD2% A 46 CYS HA 1.0 . 4.99 1448 1347 A 31 LEU HD1% A 31 LEU HA 1.0 . 4.56 1449 1348 A 42 TYR HD% A 57 LEU HD2% 1.0 . 5.01 1450 1349 A 71 PHE HD% A 57 LEU HD2% 1.0 . 5.28 1451 1350 A 57 LEU HD2% A 74 LEU HD1% 1.0 . 4.55 1452 1351 A 87 GLU H A 89 SER HA 1.0 . 4.89 1453 1352 A 22 LEU HD2% A 46 CYS HA 1.0 . 3.56 1454 1353 A 24 ARG HA A 24 ARG HG2 1.0 . 3.38 1455 1353 A 24 ARG HA A 24 ARG HG3 1.0 . 3.38 1456 1354 A 57 LEU HA A 57 LEU HD2% 1.0 . 3.57 1457 1355 A 66 ILE HB A 57 LEU HD2% 1.0 . 3.49 1458 1356 A 57 LEU HB2 A 57 LEU HD2% 1.0 . 3.70 1459 1357 A 57 LEU HB3 A 57 LEU HD2% 1.0 . 3.35 1460 1358 A 66 ILE HG2% A 57 LEU HD2% 1.0 . 3.38 1461 1359 A 64 ILE HD1% A 57 LEU HD2% 1.0 . 3.38 1462 1360 A 78 ILE HD1% A 57 LEU HD2% 1.0 . 4.35 1463 1361 A 58 SER H A 57 LEU HD2% 1.0 . 4.98 1464 1362 A 42 TYR HB2 A 57 LEU HD2% 1.0 . 4.30 1465 1363 A 57 LEU HD2% A 55 TYR HB2 1.0 . 4.81 1466 1363 A 55 TYR HB3 A 57 LEU HD2% 1.0 . 4.81 1467 1364 A 91 LEU H A 91 LEU HD1% 1.0 . 4.52 1468 1365 A 44 LEU HD1% A 91 LEU HD1% 1.0 . 4.06 1469 1366 A 47 SER HA A 22 LEU HD2% 1.0 . 4.85 1470 1367 A 20 ASN HA A 23 LEU HBx 1.0 . 4.67 1471 1368 A 9 TYR HD% A 10 HIS HA 1.0 . 5.03 1472 1369 A 25 MET H A 22 LEU HA 1.0 . 4.33 1473 1370 A 25 MET HBx A 22 LEU HA 1.0 . 3.86 1474 1371 A 31 LEU HG A 22 LEU HD2% 1.0 . 3.64 1475 1372 A 28 GLY HA3 A 92 LYS HGy 1.0 . 4.43 1476 1373 A 92 LYS H A 92 LYS HGx 1.0 . 4.76 1477 1374 A 28 GLY HA3 A 92 LYS HGx 1.0 . 4.43 1478 1375 A 30 PHE HA A 46 CYS HA 1.0 . 3.16 1479 1376 A 29 THR HG2% A 30 PHE HA 1.0 . 4.86 1480 1377 A 22 LEU HD2% A 30 PHE HA 1.0 . 3.58 1481 1378 A 31 LEU HG A 30 PHE HA 1.0 . 4.67 1482 1379 A 95 LEU HD1% A 96 GLN HA 1.0 . 4.75 1483 1380 A 22 LEU HA A 22 LEU HG 1.0 . 3.74 1484 1381 A 95 LEU HD1% A 22 LEU HA 1.0 . 4.02 1485 1382 A 13 LEU HD1% A 13 LEU HA 1.0 . 3.22 1486 1383 A 13 LEU HD1% A 17 ASP HBx 1.0 . 3.75 1487 1384 A 13 LEU HB2 A 13 LEU HD1% 1.0 . 3.25 1488 1385 A 13 LEU HD1% A 31 LEU HD2% 1.0 . 5.28 1489 1386 A 21 SER H A 18 ALA HA 1.0 . 4.35 1490 1387 A 13 LEU HG A 18 ALA HA 1.0 . 4.80 1491 1388 A 13 LEU HD1% A 18 ALA HA 1.0 . 4.45 1492 1389 A 13 LEU HD2% A 18 ALA HA 1.0 . 3.31 1493 1390 A 31 LEU HD2% A 18 ALA HA 1.0 . 3.53 1494 1391 A 44 LEU HD1% A 31 LEU H 1.0 . 4.57 1495 1392 A 44 LEU HD1% A 30 PHE HD2 1.0 . 4.56 1496 1393 A 44 LEU HD1% A 30 PHE HD1 1.0 . 4.85 1497 1394 A 44 LEU HD1% A 30 PHE HB2 1.0 . 3.85 1498 1395 A 44 LEU HD1% A 30 PHE HB3 1.0 . 4.19 1499 1396 A 95 LEU HB2 A 10 HIS HD2 1.0 . 5.50 1500 1397 A 10 HIS HD2 A 9 TYR HA 1.0 . 4.51 1501 1398 A 31 LEU HD1% A 10 HIS HD2 1.0 . 4.51 1502 1399 A 31 LEU HD2% A 10 HIS HD2 1.0 . 4.55 1503 1400 A 81 TYR HE% A 86 LEU HA 1.0 . 4.44 1504 1401 A 86 LEU HG A 86 LEU HA 1.0 . 3.57 1505 1402 A 86 LEU HD2% A 86 LEU HA 1.0 . 3.36 1506 1403 A 86 LEU HD1% A 86 LEU HA 1.0 . 4.19 1507 1404 A 22 LEU HD1% A 18 ALA HA 1.0 . 4.54 1508 1405 A 23 LEU H A 23 LEU HD1% 1.0 . 5.17 1509 1406 A 23 LEU H A 23 LEU HD2% 1.0 . 5.17 1510 1407 A 44 LEU HD1% A 91 LEU HD2% 1.0 . 3.60 1511 1408 A 42 TYR HB3 A 74 LEU HD2% 1.0 . 4.64 1512 1409 A 42 TYR HB2 A 74 LEU HD2% 1.0 . 4.36 1513 1410 A 74 LEU HB2 A 74 LEU HD2% 1.0 . 3.76 1514 1411 A 74 LEU HD2% A 74 LEU HB3 1.0 . 3.49 1515 1412 A 32 VAL HG2% A 74 LEU HD2% 1.0 . 4.23 1516 1413 A 64 ILE HG13 A 74 LEU HD2% 1.0 . 4.36 1517 1414 A 57 LEU HD1% A 74 LEU HD2% 1.0 . 3.42 1518 1415 A 74 LEU HD2% A 78 ILE HD1% 1.0 . 4.87 1519 1416 A 42 TYR HD% A 74 LEU HD2% 1.0 . 3.98 1520 1417 A 74 LEU HD2% A 8 TRP HZ3 1.0 . 4.14 1521 1418 A 74 LEU HD2% A 57 LEU HA 1.0 . 5.50 1522 1419 A 74 LEU HD2% A 64 ILE HA 1.0 . 5.50 1523 1420 A 32 VAL HB A 74 LEU HD2% 1.0 . 4.88 1524 1421 A 57 LEU HB2 A 74 LEU HD2% 1.0 . 4.65 1525 1422 A 10 HIS H A 10 HIS HD2 1.0 . 4.05 1526 1423 A 10 HIS HD2 A 31 LEU HA 1.0 . 4.69 1527 1424 A 10 HIS HD2 A 10 HIS HA 1.0 . 4.56 1528 1425 A 10 HIS HD2 A 31 LEU HB3 1.0 . 3.76 1529 1426 A 13 LEU HG A 13 LEU HA 1.0 . 3.77 1530 1427 A 95 LEU HA A 96 GLN HGx 1.0 . 5.50 1531 1428 A 95 LEU HA A 96 GLN HGy 1.0 . 5.50 1532 1429 A 95 LEU HA A 95 LEU HG 1.0 . 3.58 1533 1430 A 95 LEU HD2% A 95 LEU HA 1.0 . 4.18 1534 1431 A 29 THR HG2% A 95 LEU HA 1.0 . 3.37 1535 1432 A 81 TYR HD% A 86 LEU HA 1.0 . 4.59 1536 1433 A 77 ALA HB% A 76 ALA HA 1.0 . 5.04 1537 1434 A 93 GLN H A 91 LEU HA 1.0 . 4.33 1538 1435 A 92 LYS H A 91 LEU HA 1.0 . 3.22 1539 1436 A 28 GLY HA2 A 91 LEU HA 1.0 . 4.68 1540 1437 A 91 LEU HD2% A 91 LEU HA 1.0 . 3.26 1541 1438 A 91 LEU HD1% A 91 LEU HA 1.0 . 4.54 1542 1439 A 95 LEU HD1% A 10 HIS HE1 1.0 . 4.91 1543 1440 A 95 LEU HD1% A 95 LEU HA 1.0 . 3.03 1544 1441 A 95 LEU HD1% A 25 MET HGy 1.0 . 3.55 1545 1442 A 95 LEU HD1% A 25 MET HGx 1.0 . 4.10 1546 1443 A 95 LEU HD1% A 29 THR HG2% 1.0 . 3.32 1547 1444 A 57 LEU HD1% A 74 LEU HD1% 1.0 . 3.77 1548 1445 A 78 ILE HG13 A 74 LEU HD1% 1.0 . 5.50 1549 1446 A 78 ILE HD1% A 74 LEU HD1% 1.0 . 5.50 1550 1447 A 74 LEU H A 74 LEU HD1% 1.0 . 4.63 1551 1448 A 74 LEU HD1% A 9 TYR HE% 1.0 . 4.53 1552 1449 A 74 LEU HD1% A 8 TRP HZ3 1.0 . 3.92 1553 1450 A 74 LEU HA A 74 LEU HD1% 1.0 . 3.80 1554 1451 A 42 TYR HB3 A 74 LEU HD1% 1.0 . 4.81 1555 1452 A 42 TYR HB2 A 74 LEU HD1% 1.0 . 4.53 1556 1453 A 32 VAL HB A 74 LEU HD1% 1.0 . 4.98 1557 1454 A 57 LEU HB2 A 74 LEU HD1% 1.0 . 4.81 1558 1455 A 74 LEU HB2 A 74 LEU HD1% 1.0 . 3.48 1559 1456 A 74 LEU HB3 A 74 LEU HD1% 1.0 . 3.45 1560 1457 A 32 VAL HG1% A 74 LEU HD1% 1.0 . 3.56 1561 1458 A 32 VAL HG2% A 74 LEU HD1% 1.0 . 3.95 1562 1459 A 79 THR H A 76 ALA HA 1.0 . 4.11 1563 1460 A 75 ASP HBy A 76 ALA HA 1.0 . 4.91 1564 1461 A 24 ARG H A 23 LEU HD1% 1.0 . 5.39 1565 1462 A 54 HIS HA A 54 HIS HD2 1.0 . 4.84 1566 1463 A 54 HIS HA A 44 LEU HB3 1.0 . 5.15 1567 1464 A 54 HIS HA A 43 VAL HG1% 1.0 . 3.98 1568 1465 A 53 THR HG2% A 88 TYR HD% 1.0 . 4.16 1569 1466 A 53 THR HG2% A 52 VAL HA 1.0 . 4.67 1570 1467 A 53 THR HG2% A 48 GLU HBx 1.0 . 3.60 1571 1468 A 53 THR HG2% A 51 LYS HD2 1.0 . 4.31 1572 1468 A 53 THR HG2% A 51 LYS HD3 1.0 . 4.31 1573 1469 A 32 VAL HG2% A 8 TRP HZ3 1.0 . 3.75 1574 1470 A 32 VAL HG2% A 31 LEU HA 1.0 . 4.58 1575 1471 A 32 VAL HG2% A 8 TRP HB2 1.0 . 4.28 1576 1472 A 8 TRP HB3 A 32 VAL HG2% 1.0 . 4.44 1577 1473 A 32 VAL HG2% A 44 LEU HB3 1.0 . 4.85 1578 1474 A 44 LEU HG A 32 VAL HG2% 1.0 . 4.38 1579 1475 A 32 VAL HG2% A 74 LEU HB3 1.0 . 4.54 1580 1476 A 32 VAL HG2% A 78 ILE HG2% 1.0 . 4.67 1581 1477 A 32 VAL HG2% A 32 VAL H 1.0 . 3.74 1582 1478 A 32 VAL HG2% A 30 PHE HD2 1.0 . 4.86 1583 1479 A 32 VAL HG2% A 8 TRP HE3 1.0 . 3.55 1584 1480 A 32 VAL HG2% A 10 HIS HD2 1.0 . 5.50 1585 1481 A 32 VAL HA A 32 VAL HG2% 1.0 . 3.30 1586 1482 A 44 LEU HA A 32 VAL HG2% 1.0 . 3.72 1587 1483 A 32 VAL HG2% A 30 PHE HB2 1.0 . 5.14 1588 1484 A 32 VAL HG2% A 78 ILE HA 1.0 . 5.50 1589 1485 A 57 LEU HD1% A 32 VAL HG2% 1.0 . 3.74 1590 1486 A 32 VAL HG2% A 44 LEU HD1% 1.0 . 3.19 1591 1487 A 32 VAL HG2% A 44 LEU HD2% 1.0 . 4.25 1592 1488 A 32 VAL HG2% A 78 ILE HD1% 1.0 . 3.14 1593 1489 A 8 TRP HZ2 A 78 ILE HB 1.0 . 5.13 1594 1490 A 6 ALA HB% A 8 TRP HZ2 1.0 . 3.73 1595 1491 A 8 TRP HZ2 A 78 ILE HG13 1.0 . 4.69 1596 1492 A 65 ARG HA A 65 ARG HDx 1.0 . 4.73 1597 1493 A 30 PHE H A 22 LEU HD1% 1.0 . 4.51 1598 1494 A 22 LEU HD1% A 46 CYS HA 1.0 . 4.27 1599 1495 A 31 LEU H A 22 LEU HD1% 1.0 . 4.92 1600 1496 A 22 LEU HD1% A 47 SER H 1.0 . 4.57 1601 1497 A 22 LEU HD1% A 22 LEU H 1.0 . 4.34 1602 1498 A 22 LEU HD1% A 30 PHE HA 1.0 . 3.84 1603 1499 A 22 LEU HD1% A 22 LEU HA 1.0 . 2.98 1604 1500 A 29 THR HB A 22 LEU HD1% 1.0 . 3.56 1605 1501 A 25 MET HGy A 22 LEU HD1% 1.0 . 3.79 1606 1502 A 25 MET HBx A 22 LEU HD1% 1.0 . 3.85 1607 1503 A 31 LEU HG A 22 LEU HD1% 1.0 . 4.18 1608 1504 A 22 LEU HD1% A 29 THR HG2% 1.0 . 2.90 1609 1505 A 95 LEU HB2 A 22 LEU HD1% 1.0 . 3.51 1610 1506 A 95 LEU HD1% A 22 LEU HD1% 1.0 . 3.65 1611 1507 A 8 TRP HZ2 A 75 ASP HA 1.0 . 3.55 1612 1508 A 8 TRP HZ2 A 75 ASP HBx 1.0 . 4.38 1613 1509 A 8 TRP HZ2 A 74 LEU HB3 1.0 . 4.71 1614 1510 A 65 ARG HA A 70 LEU HA 1.0 . 3.56 1615 1511 A 65 ARG HA A 65 ARG HDy 1.0 . 4.73 1616 1512 A 65 ARG HA A 66 ILE HG2% 1.0 . 4.50 1617 1513 A 77 ALA HA A 79 THR HB 1.0 . 5.50 1618 1514 A 77 ALA HA A 80 PHE HA 1.0 . 5.50 1619 1515 A 77 ALA HA A 80 PHE HBy 1.0 . 4.41 1620 1516 A 77 ALA HA A 80 PHE HBx 1.0 . 4.41 1621 1517 A 66 ILE HD1% A 57 LEU HA 1.0 . 4.99 1622 1518 A 77 ALA HA A 71 PHE HE% 1.0 . 4.41 1623 1519 A 71 PHE HB3 A 77 ALA HA 1.0 . 4.78 1624 1520 A 76 ALA HB% A 77 ALA HA 1.0 . 4.98 1625 1521 A 32 VAL HG1% A 8 TRP HE3 1.0 . 4.24 1626 1522 A 57 LEU HD1% A 32 VAL HG1% 1.0 . 3.64 1627 1523 A 44 LEU HA A 55 TYR HB2 1.0 . 4.95 1628 1523 A 44 LEU HA A 55 TYR HB3 1.0 . 4.95 1629 1524 A 44 LEU HA A 44 LEU HG 1.0 . 4.16 1630 1525 A 44 LEU HA A 44 LEU HD1% 1.0 . 3.52 1631 1526 A 44 LEU HA A 44 LEU HD2% 1.0 . 4.81 1632 1527 A 32 VAL HG1% A 32 VAL H 1.0 . 4.55 1633 1528 A 32 VAL HG1% A 42 TYR HD% 1.0 . 3.36 1634 1529 A 32 VAL HG1% A 8 TRP HZ3 1.0 . 4.10 1635 1530 A 32 VAL HA A 32 VAL HG1% 1.0 . 3.30 1636 1531 A 44 LEU HA A 32 VAL HG1% 1.0 . 4.46 1637 1532 A 42 TYR HB3 A 32 VAL HG1% 1.0 . 3.31 1638 1533 A 32 VAL HG1% A 74 LEU HD2% 1.0 . 3.43 1639 1534 A 44 LEU HB2 A 43 VAL HG1% 1.0 . 5.12 1640 1535 A 44 LEU H A 43 VAL HG1% 1.0 . 3.49 1641 1536 A 57 LEU H A 43 VAL HG1% 1.0 . 4.99 1642 1537 A 45 SER HG A 43 VAL HG1% 1.0 . 4.54 1643 1538 A 43 VAL HA A 43 VAL HG1% 1.0 . 3.34 1644 1539 A 56 LYS HA A 43 VAL HG1% 1.0 . 4.19 1645 1540 A 54 HIS HB3 A 43 VAL HG1% 1.0 . 3.21 1646 1541 A 44 LEU HA A 43 VAL HG1% 1.0 . 4.63 1647 1542 A 43 VAL HG1% A 33 ARG HGy 1.0 . 4.97 1648 1543 A 30 PHE HD1 A 91 LEU HD2% 1.0 . 4.78 1649 1544 A 91 LEU HD2% A 30 PHE HB3 1.0 . 3.63 1650 1545 A 44 LEU HD2% A 91 LEU HD2% 1.0 . 3.56 1651 1546 A 91 LEU HD2% A 91 LEU HB3 1.0 . 3.78 1652 1547 A 91 LEU HD2% A 78 ILE HG2% 1.0 . 4.48 1653 1548 A 42 TYR HD% A 41 ASP HA 1.0 . 4.33 1654 1549 A 42 TYR HB2 A 41 ASP HA 1.0 . 4.86 1655 1550 A 64 ILE HD1% A 41 ASP HA 1.0 . 4.84 1656 1551 A 53 THR H A 52 VAL HG2% 1.0 . 4.50 1657 1552 A 52 VAL HA A 52 VAL HG2% 1.0 . 3.27 1658 1553 A 47 SER HA A 52 VAL HG2% 1.0 . 4.05 1659 1554 A 52 VAL HG2% A 22 LEU HA 1.0 . 4.91 1660 1555 A 52 VAL HG2% A 47 SER HB2 1.0 . 5.42 1661 1556 A 52 VAL HG2% A 19 GLU HA 1.0 . 3.03 1662 1557 A 52 VAL HG2% A 19 GLU HB3 1.0 . 3.95 1663 1558 A 52 VAL HG2% A 22 LEU HB2 1.0 . 3.05 1664 1559 A 23 LEU HBx A 52 VAL HG2% 1.0 . 3.69 1665 1560 A 22 LEU HB3 A 52 VAL HG2% 1.0 . 3.38 1666 1561 A 53 THR H A 52 VAL HG1% 1.0 . 3.66 1667 1562 A 46 CYS H A 52 VAL HG1% 1.0 . 4.00 1668 1563 A 45 SER HA A 52 VAL HG1% 1.0 . 4.62 1669 1564 A 52 VAL HA A 52 VAL HG1% 1.0 . 3.37 1670 1565 A 52 VAL HG1% A 19 GLU HG3 1.0 . 4.13 1671 1566 A 52 VAL HG1% A 19 GLU HG2 1.0 . 3.51 1672 1567 A 22 LEU HB3 A 52 VAL HG1% 1.0 . 4.00 1673 1568 A 16 THR HG2% A 20 ASN HD2x 1.0 . 4.08 1674 1569 A 36 THR HA A 36 THR HG2% 1.0 . 3.13 1675 1570 A 16 THR HG2% A 17 ASP HA 1.0 . 4.69 1676 1571 A 29 THR HG2% A 47 SER HG 1.0 . 5.01 1677 1572 A 29 THR HG2% A 93 GLN HG2 1.0 . 3.85 1678 1572 A 29 THR HG2% A 93 GLN HG3 1.0 . 3.85 1679 1573 A 95 LEU H A 29 THR HG2% 1.0 . 3.93 1680 1574 A 30 PHE H A 29 THR HG2% 1.0 . 3.23 1681 1575 A 29 THR HG1 A 29 THR HG2% 1.0 . 3.93 1682 1576 A 29 THR HA A 29 THR HG2% 1.0 . 3.25 1683 1577 A 29 THR HG2% A 25 MET HA 1.0 . 5.05 1684 1578 A 25 MET HGy A 29 THR HG2% 1.0 . 3.50 1685 1579 A 25 MET HGx A 29 THR HG2% 1.0 . 4.13 1686 1580 A 29 THR HG2% A 25 MET HE% 1.0 . 3.12 1687 1581 A 95 LEU HB2 A 29 THR HG2% 1.0 . 3.62 1688 1582 A 80 PHE H A 79 THR HG2% 1.0 . 3.97 1689 1583 A 79 THR HG2% A 79 THR HA 1.0 . 3.12 1690 1584 A 68 THR HA A 68 THR HG2% 1.0 . 3.15 1691 1585 A 57 LEU H A 43 VAL HG2% 1.0 . 4.56 1692 1586 A 43 VAL H A 43 VAL HG2% 1.0 . 3.76 1693 1587 A 44 LEU H A 43 VAL HG2% 1.0 . 4.56 1694 1588 A 42 TYR HD% A 43 VAL HG2% 1.0 . 5.20 1695 1589 A 42 TYR HA A 43 VAL HG2% 1.0 . 4.37 1696 1590 A 43 VAL HA A 43 VAL HG2% 1.0 . 3.43 1697 1591 A 43 VAL HG2% A 35 SER HA 1.0 . 3.58 1698 1592 A 35 SER HBx A 43 VAL HG2% 1.0 . 4.38 1699 1593 A 33 ARG HGy A 43 VAL HG2% 1.0 . 4.16 1700 1594 A 43 VAL HG2% A 56 LYS HGy 1.0 . 4.57 1701 1595 A 43 VAL HG2% A 56 LYS HGx 1.0 . 4.57 1702 1596 A 86 LEU HB2 A 86 LEU HD2% 1.0 . 4.22 1703 1597 A 33 ARG HA A 9 TYR HA 1.0 . 4.49 1704 1598 A 33 ARG HA A 10 HIS H 1.0 . 4.69 1705 1599 A 33 ARG HA A 13 LEU HB2 1.0 . 5.50 1706 1600 A 33 ARG HA A 13 LEU HB3 1.0 . 5.50 1707 1601 A 59 ALA HA A 64 ILE HD1% 1.0 . 4.11 1708 1602 A 17 ASP H A 16 THR HB 1.0 . 3.71 1709 1603 A 2 ALA H A 1 MET HBx 1.0 . 4.41 1710 1603 A 2 ALA H A 1 MET HBy 1.0 . 4.41 1711 1604 A 2 ALA HB% A 1 MET HBx 1.0 . 5.34 1712 1604 A 2 ALA HB% A 1 MET HBy 1.0 . 5.34 1713 1605 A 2 ALA HB% A 3 GLU HBx 1.0 . 5.34 1714 1605 A 2 ALA HB% A 3 GLU HBy 1.0 . 5.34 1715 1606 A 3 GLU H A 3 GLU HBx 1.0 . 3.47 1716 1606 A 3 GLU H A 3 GLU HBy 1.0 . 3.47 1717 1607 A 10 HIS H A 33 ARG HBx 1.0 . 5.12 1718 1607 A 10 HIS H A 33 ARG HBy 1.0 . 5.12 1719 1608 A 10 HIS HB2 A 33 ARG HBx 1.0 . 4.70 1720 1608 A 10 HIS HB2 A 33 ARG HBy 1.0 . 4.70 1721 1609 A 11 GLY HA2 A 12 PRO HDx 1.0 . 3.57 1722 1609 A 11 GLY HA2 A 12 PRO HDy 1.0 . 3.57 1723 1610 A 11 GLY HA3 A 12 PRO HGx 1.0 . 4.76 1724 1610 A 11 GLY HA3 A 12 PRO HGy 1.0 . 4.76 1725 1611 A 11 GLY HA3 A 12 PRO HDx 1.0 . 2.75 1726 1611 A 11 GLY HA3 A 12 PRO HDy 1.0 . 2.75 1727 1612 A 13 LEU H A 12 PRO HDx 1.0 . 4.77 1728 1612 A 13 LEU H A 12 PRO HDy 1.0 . 4.77 1729 1613 A 34 ASP HB2 A 12 PRO HDx 1.0 . 5.00 1730 1613 A 34 ASP HB2 A 12 PRO HDy 1.0 . 5.00 1731 1614 A 13 LEU H A 33 ARG HBx 1.0 . 3.44 1732 1614 A 13 LEU H A 33 ARG HBy 1.0 . 3.44 1733 1615 A 13 LEU H A 33 ARG HDx 1.0 . 4.32 1734 1615 A 13 LEU H A 33 ARG HDy 1.0 . 4.32 1735 1616 A 13 LEU HA A 17 ASP HBy 1.0 . 4.65 1736 1616 A 13 LEU HA A 17 ASP HBx 1.0 . 4.65 1737 1617 A 13 LEU HB2 A 33 ARG HBx 1.0 . 4.54 1738 1617 A 13 LEU HB2 A 33 ARG HBy 1.0 . 4.54 1739 1618 A 13 LEU HB2 A 33 ARG HDx 1.0 . 4.86 1740 1618 A 13 LEU HB2 A 33 ARG HDy 1.0 . 4.86 1741 1619 A 13 LEU HB3 A 33 ARG HDx 1.0 . 3.63 1742 1619 A 13 LEU HB3 A 33 ARG HDy 1.0 . 3.63 1743 1620 A 13 LEU HG A 33 ARG HDx 1.0 . 4.67 1744 1620 A 13 LEU HG A 33 ARG HDy 1.0 . 4.67 1745 1621 A 13 LEU HD1% A 17 ASP HBy 1.0 . 3.03 1746 1621 A 13 LEU HD1% A 17 ASP HBx 1.0 . 3.03 1747 1622 A 13 LEU HD2% A 17 ASP HBy 1.0 . 3.88 1748 1622 A 13 LEU HD2% A 17 ASP HBx 1.0 . 3.88 1749 1623 A 13 LEU HD2% A 33 ARG HBx 1.0 . 4.48 1750 1623 A 13 LEU HD2% A 33 ARG HBy 1.0 . 4.48 1751 1624 A 13 LEU HD2% A 33 ARG HDx 1.0 . 3.80 1752 1624 A 13 LEU HD2% A 33 ARG HDy 1.0 . 3.80 1753 1625 A 14 SER H A 14 SER HBx 1.0 . 3.39 1754 1625 A 14 SER H A 14 SER HBy 1.0 . 3.39 1755 1626 A 14 SER H A 17 ASP HBy 1.0 . 3.46 1756 1626 A 14 SER H A 17 ASP HBx 1.0 . 3.46 1757 1627 A 15 ARG H A 14 SER HBx 1.0 . 3.28 1758 1627 A 15 ARG H A 14 SER HBy 1.0 . 3.28 1759 1628 A 15 ARG HA A 14 SER HBx 1.0 . 5.34 1760 1628 A 15 ARG HA A 14 SER HBy 1.0 . 5.34 1761 1629 A 15 ARG HGy A 14 SER HBx 1.0 . 5.34 1762 1629 A 15 ARG HGy A 14 SER HBy 1.0 . 5.34 1763 1630 A 16 THR H A 14 SER HBx 1.0 . 3.57 1764 1630 A 16 THR H A 14 SER HBy 1.0 . 3.57 1765 1631 A 17 ASP H A 14 SER HBx 1.0 . 4.84 1766 1631 A 17 ASP H A 14 SER HBy 1.0 . 4.84 1767 1632 A 15 ARG HA A 33 ARG HDx 1.0 . 4.85 1768 1632 A 15 ARG HA A 33 ARG HDy 1.0 . 4.85 1769 1633 A 17 ASP H A 17 ASP HBy 1.0 . 3.04 1770 1633 A 17 ASP H A 17 ASP HBx 1.0 . 3.04 1771 1634 A 20 ASN HD2y A 17 ASP HA 1.0 . 4.87 1772 1634 A 20 ASN HD2x A 17 ASP HA 1.0 . 4.87 1773 1635 A 18 ALA H A 17 ASP HBy 1.0 . 3.30 1774 1635 A 18 ALA H A 17 ASP HBx 1.0 . 3.30 1775 1636 A 18 ALA HB% A 17 ASP HBy 1.0 . 4.79 1776 1636 A 18 ALA HB% A 17 ASP HBx 1.0 . 4.79 1777 1637 A 18 ALA HB% A 33 ARG HDx 1.0 . 3.30 1778 1637 A 18 ALA HB% A 33 ARG HDy 1.0 . 3.30 1779 1638 A 20 ASN HA A 20 ASN HD2y 1.0 . 4.34 1780 1638 A 20 ASN HA A 20 ASN HD2x 1.0 . 4.34 1781 1639 A 20 ASN HA A 23 LEU HD2% 1.0 . 4.14 1782 1639 A 20 ASN HA A 23 LEU HD1% 1.0 . 4.14 1783 1640 A 20 ASN HBx A 20 ASN HD2y 1.0 . 3.32 1784 1640 A 20 ASN HBx A 20 ASN HD2x 1.0 . 3.32 1785 1641 A 20 ASN HD2y A 20 ASN HBy 1.0 . 3.55 1786 1641 A 20 ASN HD2x A 20 ASN HBy 1.0 . 3.55 1787 1642 A 22 LEU HD2% A 46 CYS HBy 1.0 . 5.34 1788 1642 A 22 LEU HD2% A 46 CYS HBx 1.0 . 5.34 1789 1643 A 23 LEU H A 23 LEU HD2% 1.0 . 4.39 1790 1643 A 23 LEU H A 23 LEU HD1% 1.0 . 4.39 1791 1644 A 23 LEU HA A 23 LEU HD2% 1.0 . 2.89 1792 1644 A 23 LEU HA A 23 LEU HD1% 1.0 . 2.89 1793 1645 A 23 LEU HBx A 23 LEU HD2% 1.0 . 3.10 1794 1645 A 23 LEU HBx A 23 LEU HD1% 1.0 . 3.10 1795 1646 A 23 LEU HBy A 23 LEU HD2% 1.0 . 3.12 1796 1646 A 23 LEU HBy A 23 LEU HD1% 1.0 . 3.12 1797 1647 A 23 LEU HBy A 24 ARG HBy 1.0 . 4.74 1798 1647 A 23 LEU HBy A 24 ARG HBx 1.0 . 4.74 1799 1648 A 24 ARG H A 23 LEU HD2% 1.0 . 4.68 1800 1648 A 24 ARG H A 23 LEU HD1% 1.0 . 4.68 1801 1649 A 24 ARG H A 24 ARG HBy 1.0 . 3.61 1802 1649 A 24 ARG H A 24 ARG HBx 1.0 . 3.61 1803 1650 A 24 ARG HA A 24 ARG HDy 1.0 . 4.35 1804 1650 A 24 ARG HA A 24 ARG HDx 1.0 . 4.35 1805 1651 A 24 ARG HBx A 24 ARG HDy 1.0 . 3.17 1806 1651 A 24 ARG HBy A 24 ARG HDy 1.0 . 3.17 1807 1651 A 24 ARG HDx A 24 ARG HBy 1.0 . 3.17 1808 1651 A 24 ARG HBx A 24 ARG HDx 1.0 . 3.17 1809 1652 A 25 MET HGx A 24 ARG HBy 1.0 . 4.82 1810 1652 A 25 MET HGx A 24 ARG HBx 1.0 . 4.82 1811 1653 A 26 PRO HA A 27 GLU HBy 1.0 . 5.34 1812 1653 A 26 PRO HA A 27 GLU HBx 1.0 . 5.34 1813 1654 A 27 GLU H A 27 GLU HBy 1.0 . 3.45 1814 1654 A 27 GLU H A 27 GLU HBx 1.0 . 3.45 1815 1655 A 28 GLY HA3 A 27 GLU HBy 1.0 . 5.34 1816 1655 A 28 GLY HA3 A 27 GLU HBx 1.0 . 5.34 1817 1656 A 47 SER HB2 A 27 GLU HBy 1.0 . 5.34 1818 1656 A 47 SER HB2 A 27 GLU HBx 1.0 . 5.34 1819 1657 A 28 GLY HA2 A 92 LYS HGy 1.0 . 4.81 1820 1657 A 28 GLY HA2 A 92 LYS HGx 1.0 . 4.81 1821 1658 A 28 GLY HA3 A 92 LYS HGy 1.0 . 3.81 1822 1658 A 28 GLY HA3 A 92 LYS HGx 1.0 . 3.81 1823 1659 A 30 PHE HB2 A 46 CYS HBy 1.0 . 4.36 1824 1659 A 30 PHE HB2 A 46 CYS HBx 1.0 . 4.36 1825 1660 A 31 LEU H A 46 CYS HBy 1.0 . 5.34 1826 1660 A 31 LEU H A 46 CYS HBx 1.0 . 5.34 1827 1661 A 31 LEU HD1% A 33 ARG HBx 1.0 . 4.66 1828 1661 A 31 LEU HD1% A 33 ARG HBy 1.0 . 4.66 1829 1662 A 31 LEU HD1% A 33 ARG HDx 1.0 . 3.90 1830 1662 A 31 LEU HD1% A 33 ARG HDy 1.0 . 3.90 1831 1663 A 33 ARG H A 33 ARG HDx 1.0 . 4.67 1832 1663 A 33 ARG H A 33 ARG HDy 1.0 . 4.67 1833 1664 A 34 ASP H A 33 ARG HBx 1.0 . 3.33 1834 1664 A 34 ASP H A 33 ARG HBy 1.0 . 3.33 1835 1665 A 43 VAL HB A 33 ARG HBx 1.0 . 5.34 1836 1665 A 43 VAL HB A 33 ARG HBy 1.0 . 5.34 1837 1666 A 43 VAL HB A 33 ARG HDx 1.0 . 4.73 1838 1666 A 43 VAL HB A 33 ARG HDy 1.0 . 4.73 1839 1667 A 38 SER H A 38 SER HBx 1.0 . 3.58 1840 1667 A 38 SER H A 38 SER HBy 1.0 . 3.58 1841 1668 A 38 SER HBy A 41 ASP HB2 1.0 . 3.82 1842 1668 A 38 SER HBx A 41 ASP HB2 1.0 . 3.82 1843 1668 A 41 ASP HB3 A 38 SER HBx 1.0 . 3.82 1844 1668 A 41 ASP HB3 A 38 SER HBy 1.0 . 3.82 1845 1669 A 41 ASP HB2 A 58 SER HBx 1.0 . 5.34 1846 1669 A 41 ASP HB3 A 58 SER HBx 1.0 . 5.34 1847 1669 A 58 SER HBy A 41 ASP HB2 1.0 . 5.34 1848 1669 A 41 ASP HB3 A 58 SER HBy 1.0 . 5.34 1849 1670 A 43 VAL HG1% A 56 LYS HGy 1.0 . 4.24 1850 1670 A 43 VAL HG1% A 56 LYS HGx 1.0 . 4.24 1851 1671 A 43 VAL HG2% A 56 LYS HGy 1.0 . 3.92 1852 1671 A 43 VAL HG2% A 56 LYS HGx 1.0 . 3.92 1853 1672 A 44 LEU HD2% A 46 CYS HBy 1.0 . 5.03 1854 1672 A 44 LEU HD2% A 46 CYS HBx 1.0 . 5.03 1855 1673 A 45 SER HA A 46 CYS HBy 1.0 . 4.74 1856 1673 A 45 SER HA A 46 CYS HBx 1.0 . 4.74 1857 1674 A 47 SER H A 46 CYS HBy 1.0 . 3.86 1858 1674 A 47 SER H A 46 CYS HBx 1.0 . 3.86 1859 1675 A 48 GLU HBx A 46 CYS HBy 1.0 . 4.81 1860 1675 A 48 GLU HBx A 46 CYS HBx 1.0 . 4.81 1861 1676 A 46 CYS HBy A 48 GLU HGx 1.0 . 3.69 1862 1676 A 46 CYS HBx A 48 GLU HGx 1.0 . 3.69 1863 1676 A 48 GLU HGy A 46 CYS HBy 1.0 . 3.69 1864 1676 A 46 CYS HBx A 48 GLU HGy 1.0 . 3.69 1865 1677 A 53 THR H A 46 CYS HBy 1.0 . 5.34 1866 1677 A 53 THR H A 46 CYS HBx 1.0 . 5.34 1867 1678 A 55 TYR HE% A 46 CYS HBy 1.0 . 3.96 1868 1678 A 55 TYR HE% A 46 CYS HBx 1.0 . 3.96 1869 1679 A 91 LEU HD2% A 46 CYS HBy 1.0 . 3.79 1870 1679 A 91 LEU HD2% A 46 CYS HBx 1.0 . 3.79 1871 1680 A 48 GLU H A 48 GLU HGx 1.0 . 4.27 1872 1680 A 48 GLU H A 48 GLU HGy 1.0 . 4.27 1873 1681 A 48 GLU HBy A 89 SER HBx 1.0 . 4.42 1874 1681 A 48 GLU HBy A 89 SER HBy 1.0 . 4.42 1875 1682 A 49 ASN H A 48 GLU HGx 1.0 . 5.04 1876 1682 A 49 ASN H A 48 GLU HGy 1.0 . 5.04 1877 1683 A 53 THR HG2% A 48 GLU HGx 1.0 . 4.74 1878 1683 A 53 THR HG2% A 48 GLU HGy 1.0 . 4.74 1879 1684 A 88 TYR HB2 A 48 GLU HGx 1.0 . 4.00 1880 1684 A 88 TYR HB2 A 48 GLU HGy 1.0 . 4.00 1881 1685 A 88 TYR HB3 A 48 GLU HGx 1.0 . 4.44 1882 1685 A 88 TYR HB3 A 48 GLU HGy 1.0 . 4.44 1883 1686 A 88 TYR HD% A 48 GLU HGx 1.0 . 4.58 1884 1686 A 88 TYR HD% A 48 GLU HGy 1.0 . 4.58 1885 1687 A 89 SER H A 48 GLU HGx 1.0 . 4.18 1886 1687 A 89 SER H A 48 GLU HGy 1.0 . 4.18 1887 1688 A 48 GLU HGy A 89 SER HBx 1.0 . 3.46 1888 1688 A 48 GLU HGx A 89 SER HBx 1.0 . 3.46 1889 1688 A 89 SER HBy A 48 GLU HGx 1.0 . 3.46 1890 1688 A 48 GLU HGy A 89 SER HBy 1.0 . 3.46 1891 1689 A 49 ASN H A 89 SER HBx 1.0 . 5.34 1892 1689 A 49 ASN H A 89 SER HBy 1.0 . 5.34 1893 1690 A 49 ASN HBy A 51 LYS HGy 1.0 . 4.64 1894 1690 A 49 ASN HBy A 51 LYS HGx 1.0 . 4.64 1895 1691 A 49 ASN HBy A 51 LYS HEy 1.0 . 4.50 1896 1691 A 49 ASN HBy A 51 LYS HEx 1.0 . 4.50 1897 1692 A 51 LYS H A 51 LYS HGy 1.0 . 3.42 1898 1692 A 51 LYS H A 51 LYS HGx 1.0 . 3.42 1899 1693 A 52 VAL H A 51 LYS HGy 1.0 . 3.91 1900 1693 A 52 VAL H A 51 LYS HGx 1.0 . 3.91 1901 1694 A 88 TYR HE% A 51 LYS HEy 1.0 . 4.70 1902 1694 A 88 TYR HE% A 51 LYS HEx 1.0 . 4.70 1903 1695 A 53 THR HG2% A 87 GLU HBx 1.0 . 5.08 1904 1695 A 53 THR HG2% A 87 GLU HBy 1.0 . 5.08 1905 1696 A 55 TYR HE% A 87 GLU HBx 1.0 . 3.91 1906 1696 A 55 TYR HE% A 87 GLU HBy 1.0 . 3.91 1907 1697 A 56 LYS H A 56 LYS HGy 1.0 . 3.38 1908 1697 A 56 LYS H A 56 LYS HGx 1.0 . 3.38 1909 1698 A 56 LYS HA A 56 LYS HGy 1.0 . 3.74 1910 1698 A 56 LYS HA A 56 LYS HGx 1.0 . 3.74 1911 1699 A 57 LEU H A 56 LYS HGy 1.0 . 4.73 1912 1699 A 57 LEU H A 56 LYS HGx 1.0 . 4.73 1913 1700 A 58 SER H A 58 SER HBx 1.0 . 3.21 1914 1700 A 58 SER H A 58 SER HBy 1.0 . 3.21 1915 1701 A 59 ALA H A 58 SER HBx 1.0 . 3.81 1916 1701 A 59 ALA H A 58 SER HBy 1.0 . 3.81 1917 1702 A 65 ARG HBx A 58 SER HBx 1.0 . 4.35 1918 1702 A 65 ARG HBx A 58 SER HBy 1.0 . 4.35 1919 1703 A 65 ARG HBy A 58 SER HBx 1.0 . 3.39 1920 1703 A 65 ARG HBy A 58 SER HBy 1.0 . 3.39 1921 1704 A 58 SER HBy A 65 ARG HG2 1.0 . 4.06 1922 1704 A 65 ARG HG3 A 58 SER HBx 1.0 . 4.06 1923 1704 A 65 ARG HG3 A 58 SER HBy 1.0 . 4.06 1924 1704 A 58 SER HBx A 65 ARG HG2 1.0 . 4.06 1925 1705 A 60 GLU H A 60 GLU HGx 1.0 . 4.46 1926 1705 A 60 GLU H A 60 GLU HGy 1.0 . 4.46 1927 1706 A 60 GLU H A 70 LEU HDx% 1.0 . 4.10 1928 1706 A 60 GLU H A 70 LEU HDy% 1.0 . 4.10 1929 1707 A 60 GLU HA A 60 GLU HGx 1.0 . 3.63 1930 1707 A 60 GLU HA A 60 GLU HGy 1.0 . 3.63 1931 1708 A 60 GLU HB3 A 70 LEU HDx% 1.0 . 3.35 1932 1708 A 60 GLU HB2 A 70 LEU HDx% 1.0 . 3.35 1933 1708 A 70 LEU HDy% A 60 GLU HB2 1.0 . 3.35 1934 1708 A 60 GLU HB3 A 70 LEU HDy% 1.0 . 3.35 1935 1709 A 61 GLU H A 60 GLU HGx 1.0 . 4.88 1936 1709 A 61 GLU H A 60 GLU HGy 1.0 . 4.88 1937 1710 A 61 GLU HA A 61 GLU HGx 1.0 . 3.04 1938 1710 A 61 GLU HA A 61 GLU HGy 1.0 . 3.04 1939 1711 A 62 GLY H A 61 GLU HBy 1.0 . 3.83 1940 1711 A 62 GLY H A 61 GLU HBx 1.0 . 3.83 1941 1712 A 63 LYS H A 61 GLU HBy 1.0 . 4.67 1942 1712 A 63 LYS H A 61 GLU HBx 1.0 . 4.67 1943 1713 A 63 LYS H A 70 LEU HDx% 1.0 . 4.60 1944 1713 A 63 LYS H A 70 LEU HDy% 1.0 . 4.60 1945 1714 A 63 LYS HBx A 70 LEU HDx% 1.0 . 3.61 1946 1714 A 63 LYS HBx A 70 LEU HDy% 1.0 . 3.61 1947 1715 A 63 LYS HBy A 70 LEU HBx 1.0 . 5.34 1948 1715 A 63 LYS HBy A 70 LEU HBy 1.0 . 5.34 1949 1716 A 63 LYS HBy A 70 LEU HDx% 1.0 . 3.46 1950 1716 A 63 LYS HBy A 70 LEU HDy% 1.0 . 3.46 1951 1717 A 63 LYS HDx A 70 LEU HDx% 1.0 . 3.97 1952 1717 A 63 LYS HDx A 70 LEU HDy% 1.0 . 3.97 1953 1718 A 63 LYS HDy A 70 LEU HDx% 1.0 . 4.59 1954 1718 A 63 LYS HDy A 70 LEU HDy% 1.0 . 4.59 1955 1719 A 63 LYS HDy A 72 ASP HBy 1.0 . 5.34 1956 1719 A 63 LYS HDy A 72 ASP HBx 1.0 . 5.34 1957 1720 A 63 LYS HE2 A 70 LEU HDx% 1.0 . 4.62 1958 1720 A 63 LYS HE3 A 70 LEU HDx% 1.0 . 4.62 1959 1720 A 70 LEU HDy% A 63 LYS HE2 1.0 . 4.62 1960 1720 A 63 LYS HE3 A 70 LEU HDy% 1.0 . 4.62 1961 1721 A 64 ILE H A 70 LEU HDx% 1.0 . 4.39 1962 1721 A 64 ILE H A 70 LEU HDy% 1.0 . 4.39 1963 1722 A 64 ILE HG12 A 73 ASN HBy 1.0 . 5.29 1964 1722 A 64 ILE HG12 A 73 ASN HBx 1.0 . 5.29 1965 1723 A 65 ARG H A 70 LEU HDx% 1.0 . 4.95 1966 1723 A 65 ARG H A 70 LEU HDy% 1.0 . 4.95 1967 1724 A 65 ARG HA A 65 ARG HDy 1.0 . 4.10 1968 1724 A 65 ARG HA A 65 ARG HDx 1.0 . 4.10 1969 1725 A 65 ARG HA A 70 LEU HDx% 1.0 . 3.67 1970 1725 A 65 ARG HA A 70 LEU HDy% 1.0 . 3.67 1971 1726 A 65 ARG HBx A 70 LEU HDx% 1.0 . 3.17 1972 1726 A 65 ARG HBx A 70 LEU HDy% 1.0 . 3.17 1973 1727 A 65 ARG HBy A 65 ARG HDy 1.0 . 3.65 1974 1727 A 65 ARG HBy A 65 ARG HDx 1.0 . 3.65 1975 1728 A 65 ARG HG3 A 70 LEU HDx% 1.0 . 3.69 1976 1728 A 65 ARG HG2 A 70 LEU HDx% 1.0 . 3.69 1977 1728 A 70 LEU HDy% A 65 ARG HG2 1.0 . 3.69 1978 1728 A 65 ARG HG3 A 70 LEU HDy% 1.0 . 3.69 1979 1729 A 66 ILE H A 65 ARG HDy 1.0 . 4.28 1980 1729 A 66 ILE H A 65 ARG HDx 1.0 . 4.28 1981 1730 A 65 ARG HDy A 70 LEU HDx% 1.0 . 4.42 1982 1730 A 65 ARG HDx A 70 LEU HDx% 1.0 . 4.42 1983 1730 A 70 LEU HDy% A 65 ARG HDy 1.0 . 4.42 1984 1730 A 70 LEU HDy% A 65 ARG HDx 1.0 . 4.42 1985 1731 A 65 ARG HE A 70 LEU HDx% 1.0 . 4.99 1986 1731 A 65 ARG HE A 70 LEU HDy% 1.0 . 4.99 1987 1732 A 66 ILE H A 70 LEU HDx% 1.0 . 4.31 1988 1732 A 66 ILE H A 70 LEU HDy% 1.0 . 4.31 1989 1733 A 66 ILE HG2% A 67 ASP HBy 1.0 . 4.26 1990 1733 A 66 ILE HG2% A 67 ASP HBx 1.0 . 4.26 1991 1734 A 66 ILE HG12 A 67 ASP HBy 1.0 . 4.27 1992 1734 A 66 ILE HG12 A 67 ASP HBx 1.0 . 4.27 1993 1735 A 66 ILE HG13 A 67 ASP HBy 1.0 . 4.71 1994 1735 A 66 ILE HG13 A 67 ASP HBx 1.0 . 4.71 1995 1736 A 67 ASP H A 67 ASP HBy 1.0 . 3.69 1996 1736 A 67 ASP H A 67 ASP HBx 1.0 . 3.69 1997 1737 A 68 THR H A 67 ASP HBy 1.0 . 3.44 1998 1737 A 68 THR H A 67 ASP HBx 1.0 . 3.44 1999 1738 A 69 HIS HA A 70 LEU HBx 1.0 . 4.64 2000 1738 A 69 HIS HA A 70 LEU HBy 1.0 . 4.64 2001 1739 A 70 LEU H A 70 LEU HBx 1.0 . 3.15 2002 1739 A 70 LEU H A 70 LEU HBy 1.0 . 3.15 2003 1740 A 70 LEU H A 70 LEU HDx% 1.0 . 4.23 2004 1740 A 70 LEU H A 70 LEU HDy% 1.0 . 4.23 2005 1741 A 70 LEU HA A 70 LEU HDx% 1.0 . 3.36 2006 1741 A 70 LEU HA A 70 LEU HDy% 1.0 . 3.36 2007 1742 A 70 LEU HBy A 70 LEU HDx% 1.0 . 2.84 2008 1742 A 70 LEU HBx A 70 LEU HDx% 1.0 . 2.84 2009 1742 A 70 LEU HDy% A 70 LEU HBx 1.0 . 2.84 2010 1742 A 70 LEU HDy% A 70 LEU HBy 1.0 . 2.84 2011 1743 A 71 PHE H A 70 LEU HBx 1.0 . 4.40 2012 1743 A 71 PHE H A 70 LEU HBy 1.0 . 4.40 2013 1744 A 71 PHE H A 70 LEU HDx% 1.0 . 4.04 2014 1744 A 71 PHE H A 70 LEU HDy% 1.0 . 4.04 2015 1745 A 71 PHE HZ A 80 PHE HBx 1.0 . 4.01 2016 1745 A 71 PHE HZ A 80 PHE HBy 1.0 . 4.01 2017 1746 A 72 ASP H A 72 ASP HBy 1.0 . 3.18 2018 1746 A 72 ASP H A 72 ASP HBx 1.0 . 3.18 2019 1747 A 73 ASN H A 72 ASP HBy 1.0 . 3.63 2020 1747 A 73 ASN H A 72 ASP HBx 1.0 . 3.63 2021 1748 A 72 ASP HBy A 73 ASN HBy 1.0 . 5.18 2022 1748 A 72 ASP HBx A 73 ASN HBy 1.0 . 5.18 2023 1748 A 73 ASN HBx A 72 ASP HBy 1.0 . 5.18 2024 1748 A 72 ASP HBx A 73 ASN HBx 1.0 . 5.18 2025 1749 A 73 ASN HD2y A 72 ASP HBy 1.0 . 3.56 2026 1749 A 73 ASN HD2x A 72 ASP HBx 1.0 . 3.56 2027 1749 A 73 ASN HD2y A 72 ASP HBx 1.0 . 3.56 2028 1749 A 73 ASN HD2x A 72 ASP HBy 1.0 . 3.56 2029 1750 A 76 ALA HB% A 72 ASP HBy 1.0 . 3.87 2030 1750 A 76 ALA HB% A 72 ASP HBx 1.0 . 3.87 2031 1751 A 73 ASN HA A 73 ASN HD2y 1.0 . 4.76 2032 1751 A 73 ASN HA A 73 ASN HD2x 1.0 . 4.76 2033 1752 A 73 ASN HD2x A 73 ASN HBx 1.0 . 2.99 2034 1752 A 73 ASN HD2x A 73 ASN HBy 1.0 . 2.99 2035 1752 A 73 ASN HD2y A 73 ASN HBy 1.0 . 2.99 2036 1752 A 73 ASN HD2y A 73 ASN HBx 1.0 . 2.99 2037 1753 A 74 LEU H A 73 ASN HBy 1.0 . 2.98 2038 1753 A 74 LEU H A 73 ASN HBx 1.0 . 2.98 2039 1754 A 74 LEU HB2 A 73 ASN HBy 1.0 . 4.77 2040 1754 A 74 LEU HB2 A 73 ASN HBx 1.0 . 4.77 2041 1755 A 74 LEU HB3 A 73 ASN HBy 1.0 . 5.34 2042 1755 A 74 LEU HB3 A 73 ASN HBx 1.0 . 5.34 2043 1756 A 75 ASP H A 73 ASN HBy 1.0 . 3.82 2044 1756 A 75 ASP H A 73 ASN HBx 1.0 . 3.82 2045 1757 A 75 ASP HBx A 73 ASN HBy 1.0 . 5.34 2046 1757 A 75 ASP HBx A 73 ASN HBx 1.0 . 5.34 2047 1758 A 76 ALA H A 73 ASN HBy 1.0 . 5.22 2048 1758 A 76 ALA H A 73 ASN HBx 1.0 . 5.22 2049 1759 A 76 ALA HB% A 73 ASN HBy 1.0 . 5.29 2050 1759 A 76 ALA HB% A 73 ASN HBx 1.0 . 5.29 2051 1760 A 77 ALA HA A 80 PHE HBx 1.0 . 3.67 2052 1760 A 77 ALA HA A 80 PHE HBy 1.0 . 3.67 2053 1761 A 77 ALA HB% A 80 PHE HBx 1.0 . 4.80 2054 1761 A 77 ALA HB% A 80 PHE HBy 1.0 . 4.80 2055 1762 A 78 ILE HG2% A 82 MET HBy 1.0 . 4.77 2056 1762 A 78 ILE HG2% A 82 MET HBx 1.0 . 4.77 2057 1763 A 78 ILE HG2% A 82 MET HGy 1.0 . 3.86 2058 1763 A 78 ILE HG2% A 82 MET HGx 1.0 . 3.86 2059 1764 A 79 THR H A 80 PHE HBx 1.0 . 4.62 2060 1764 A 79 THR H A 80 PHE HBy 1.0 . 4.62 2061 1765 A 79 THR HA A 82 MET HBy 1.0 . 3.39 2062 1765 A 79 THR HA A 82 MET HBx 1.0 . 3.39 2063 1766 A 79 THR HA A 82 MET HGy 1.0 . 3.88 2064 1766 A 79 THR HA A 82 MET HGx 1.0 . 3.88 2065 1767 A 79 THR HG2% A 82 MET HBy 1.0 . 4.47 2066 1767 A 79 THR HG2% A 82 MET HBx 1.0 . 4.47 2067 1768 A 80 PHE HA A 83 GLU HBy 1.0 . 4.36 2068 1768 A 80 PHE HA A 83 GLU HBx 1.0 . 4.36 2069 1769 A 81 TYR H A 80 PHE HBx 1.0 . 3.49 2070 1769 A 81 TYR H A 80 PHE HBy 1.0 . 3.49 2071 1770 A 82 MET H A 82 MET HBy 1.0 . 3.22 2072 1770 A 82 MET H A 82 MET HBx 1.0 . 3.22 2073 1771 A 82 MET H A 82 MET HGy 1.0 . 3.70 2074 1771 A 82 MET H A 82 MET HGx 1.0 . 3.70 2075 1772 A 82 MET HBy A 82 MET HGy 1.0 . 2.35 2076 1772 A 82 MET HBx A 82 MET HGy 1.0 . 2.35 2077 1772 A 82 MET HGx A 82 MET HBy 1.0 . 2.35 2078 1772 A 82 MET HBx A 82 MET HGx 1.0 . 2.35 2079 1773 A 83 GLU H A 82 MET HBy 1.0 . 4.03 2080 1773 A 83 GLU H A 82 MET HBx 1.0 . 4.03 2081 1774 A 91 LEU HD1% A 82 MET HBy 1.0 . 4.71 2082 1774 A 91 LEU HD1% A 82 MET HBx 1.0 . 4.71 2083 1775 A 91 LEU HB3 A 82 MET HGy 1.0 . 4.33 2084 1775 A 91 LEU HB3 A 82 MET HGx 1.0 . 4.33 2085 1776 A 91 LEU HD1% A 82 MET HGy 1.0 . 4.22 2086 1776 A 91 LEU HD1% A 82 MET HGx 1.0 . 4.22 2087 1777 A 83 GLU H A 83 GLU HBy 1.0 . 3.54 2088 1777 A 83 GLU H A 83 GLU HBx 1.0 . 3.54 2089 1778 A 83 GLU H A 83 GLU HGx 1.0 . 4.71 2090 1778 A 83 GLU H A 83 GLU HGy 1.0 . 4.71 2091 1779 A 83 GLU HA A 83 GLU HGx 1.0 . 3.65 2092 1779 A 83 GLU HGy A 83 GLU HA 1.0 . 3.65 2093 1780 A 84 HIS HD2 A 83 GLU HBy 1.0 . 4.26 2094 1780 A 84 HIS HD2 A 83 GLU HBx 1.0 . 4.26 2095 1781 A 84 HIS H A 84 HIS HBx 1.0 . 3.64 2096 1781 A 84 HIS H A 84 HIS HBy 1.0 . 3.64 2097 1782 A 84 HIS HA A 85 GLU HGx 1.0 . 4.66 2098 1782 A 84 HIS HA A 85 GLU HGy 1.0 . 4.66 2099 1783 A 85 GLU H A 84 HIS HBx 1.0 . 3.86 2100 1783 A 85 GLU H A 84 HIS HBy 1.0 . 3.86 2101 1784 A 85 GLU H A 85 GLU HGx 1.0 . 3.53 2102 1784 A 85 GLU H A 85 GLU HGy 1.0 . 3.53 2103 1785 A 85 GLU HA A 90 SER HBx 1.0 . 4.21 2104 1785 A 85 GLU HA A 90 SER HBy 1.0 . 4.21 2105 1786 A 89 SER HA A 85 GLU HGx 1.0 . 4.38 2106 1786 A 89 SER HA A 85 GLU HGy 1.0 . 4.38 2107 1787 A 90 SER H A 85 GLU HGx 1.0 . 4.16 2108 1787 A 90 SER H A 85 GLU HGy 1.0 . 4.16 2109 1788 A 90 SER HA A 85 GLU HGx 1.0 . 5.34 2110 1788 A 90 SER HA A 85 GLU HGy 1.0 . 5.34 2111 1789 A 85 GLU HGx A 90 SER HBx 1.0 . 4.05 2112 1789 A 85 GLU HGy A 90 SER HBx 1.0 . 4.05 2113 1789 A 90 SER HBy A 85 GLU HGx 1.0 . 4.05 2114 1789 A 85 GLU HGy A 90 SER HBy 1.0 . 4.05 2115 1790 A 87 GLU H A 87 GLU HBx 1.0 . 3.25 2116 1790 A 87 GLU H A 87 GLU HBy 1.0 . 3.25 2117 1791 A 87 GLU H A 87 GLU HGx 1.0 . 4.86 2118 1791 A 87 GLU H A 87 GLU HGy 1.0 . 4.86 2119 1792 A 87 GLU HA A 87 GLU HGx 1.0 . 3.37 2120 1792 A 87 GLU HA A 87 GLU HGy 1.0 . 3.37 2121 1793 A 88 TYR H A 87 GLU HBx 1.0 . 3.83 2122 1793 A 88 TYR H A 87 GLU HBy 1.0 . 3.83 2123 1794 A 88 TYR HD% A 87 GLU HBx 1.0 . 3.51 2124 1794 A 88 TYR HD% A 87 GLU HBy 1.0 . 3.51 2125 1795 A 88 TYR HE% A 87 GLU HBx 1.0 . 4.10 2126 1795 A 88 TYR HE% A 87 GLU HBy 1.0 . 4.10 2127 1796 A 88 TYR H A 87 GLU HGx 1.0 . 5.00 2128 1796 A 88 TYR H A 87 GLU HGy 1.0 . 5.00 2129 1797 A 88 TYR HD% A 87 GLU HGx 1.0 . 4.16 2130 1797 A 88 TYR HD% A 87 GLU HGy 1.0 . 4.16 2131 1798 A 88 TYR HB2 A 89 SER HBx 1.0 . 5.34 2132 1798 A 88 TYR HB2 A 89 SER HBy 1.0 . 5.34 2133 1799 A 88 TYR HB3 A 89 SER HBx 1.0 . 5.04 2134 1799 A 88 TYR HB3 A 89 SER HBy 1.0 . 5.04 2135 1800 A 89 SER H A 89 SER HBx 1.0 . 3.63 2136 1800 A 89 SER H A 89 SER HBy 1.0 . 3.63 2137 1801 A 90 SER H A 89 SER HBx 1.0 . 4.13 2138 1801 A 90 SER H A 89 SER HBy 1.0 . 4.13 2139 1802 A 90 SER H A 90 SER HBx 1.0 . 3.44 2140 1802 A 90 SER H A 90 SER HBy 1.0 . 3.44 2141 1803 A 91 LEU H A 90 SER HBx 1.0 . 4.04 2142 1803 A 91 LEU H A 90 SER HBy 1.0 . 4.04 2143 1804 A 92 LYS HA A 92 LYS HGy 1.0 . 3.56 2144 1804 A 92 LYS HA A 92 LYS HGx 1.0 . 3.56 2145 1805 A 92 LYS HB2 A 93 GLN HE2x 1.0 . 4.65 2146 1805 A 92 LYS HB2 A 93 GLN HE2y 1.0 . 4.65 2147 1806 A 96 GLN H A 96 GLN HBy 1.0 . 3.01 2148 1806 A 96 GLN H A 96 GLN HBx 1.0 . 3.01 2149 1807 A 96 GLN H A 96 GLN HGy 1.0 . 3.89 2150 1807 A 96 GLN H A 96 GLN HGx 1.0 . 3.89 2151 1808 A 96 GLN HA A 97 ARG HBy 1.0 . 4.49 2152 1808 A 96 GLN HA A 97 ARG HBx 1.0 . 4.49 2153 1809 A 97 ARG H A 96 GLN HBy 1.0 . 3.67 2154 1809 A 97 ARG H A 96 GLN HBx 1.0 . 3.67 2155 1810 A 97 ARG H A 97 ARG HBy 1.0 . 3.16 2156 1810 A 97 ARG H A 97 ARG HBx 1.0 . 3.16 2157 1811 A 97 ARG H A 97 ARG HGy 1.0 . 3.83 2158 1811 A 97 ARG H A 97 ARG HGx 1.0 . 3.83 stop_ save_ save_DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 12 PRO C A 13 LEU N A 13 LEU CA A 13 LEU C 1.0 -153.8 -41.6 PHI 2 2 A 13 LEU N A 13 LEU CA A 13 LEU C A 14 SER N 1.0 92.7 156.2 PSI 3 3 A 13 LEU C A 14 SER N A 14 SER CA A 14 SER C 1.0 -117.0 -57.0 PHI 4 4 A 14 SER N A 14 SER CA A 14 SER C A 15 ARG N 1.0 131.2 203.5 PSI 5 5 A 14 SER C A 15 ARG N A 15 ARG CA A 15 ARG C 1.0 -89.0 -29.0 PHI 6 6 A 15 ARG N A 15 ARG CA A 15 ARG C A 16 THR N 1.0 -70.0 -10.0 PSI 7 7 A 15 ARG C A 16 THR N A 16 THR CA A 16 THR C 1.0 -91.0 -31.0 PHI 8 8 A 16 THR N A 16 THR CA A 16 THR C A 17 ASP N 1.0 -71.2 -11.2 PSI 9 9 A 16 THR C A 17 ASP N A 17 ASP CA A 17 ASP C 1.0 -95.6 -35.6 PHI 10 10 A 17 ASP N A 17 ASP CA A 17 ASP C A 18 ALA N 1.0 -67.8 -7.8 PSI 11 11 A 17 ASP C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -95.6 -35.6 PHI 12 12 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 GLU N 1.0 -69.3 -9.3 PSI 13 13 A 18 ALA C A 19 GLU N A 19 GLU CA A 19 GLU C 1.0 -95.6 -35.6 PHI 14 14 A 19 GLU N A 19 GLU CA A 19 GLU C A 20 ASN N 1.0 -68.9 -8.9 PSI 15 15 A 19 GLU C A 20 ASN N A 20 ASN CA A 20 ASN C 1.0 -92.8 -32.8 PHI 16 16 A 20 ASN N A 20 ASN CA A 20 ASN C A 21 SER N 1.0 -69.9 -9.9 PSI 17 17 A 20 ASN C A 21 SER N A 21 SER CA A 21 SER C 1.0 -98.5 -38.5 PHI 18 18 A 21 SER N A 21 SER CA A 21 SER C A 22 LEU N 1.0 -62.2 1.4 PSI 19 19 A 21 SER C A 22 LEU N A 22 LEU CA A 22 LEU C 1.0 -125.9 -48.4 PHI 20 20 A 22 LEU N A 22 LEU CA A 22 LEU C A 23 LEU N 1.0 -66.1 17.1 PSI 21 21 A 22 LEU C A 23 LEU N A 23 LEU CA A 23 LEU C 1.0 -90.6 -30.6 PHI 22 22 A 23 LEU N A 23 LEU CA A 23 LEU C A 24 ARG N 1.0 -67.9 -7.9 PSI 23 23 A 23 LEU C A 24 ARG N A 24 ARG CA A 24 ARG C 1.0 -125.5 -65.5 PHI 24 24 A 24 ARG N A 24 ARG CA A 24 ARG C A 25 MET N 1.0 -32.8 27.2 PSI 25 25 A 24 ARG C A 25 MET N A 25 MET CA A 25 MET C 1.0 -153.1 -31.8 PHI 26 26 A 25 MET N A 25 MET CA A 25 MET C A 26 PRO N 1.0 78.9 197.4 PSI 27 27 A 26 PRO C A 27 GLU N A 27 GLU CA A 27 GLU C 1.0 -118.4 -20.2 PHI 28 28 A 27 GLU N A 27 GLU CA A 27 GLU C A 28 GLY N 1.0 99.0 163.6 PSI 29 29 A 28 GLY C A 29 THR N A 29 THR CA A 29 THR C 1.0 -114.0 -54.0 PHI 30 30 A 29 THR N A 29 THR CA A 29 THR C A 30 PHE N 1.0 98.2 158.2 PSI 31 31 A 29 THR C A 30 PHE N A 30 PHE CA A 30 PHE C 1.0 -165.0 -105.0 PHI 32 32 A 30 PHE N A 30 PHE CA A 30 PHE C A 31 LEU N 1.0 137.1 197.1 PSI 33 33 A 30 PHE C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -184.0 -124.0 PHI 34 34 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 VAL N 1.0 129.4 189.4 PSI 35 35 A 31 LEU C A 32 VAL N A 32 VAL CA A 32 VAL C 1.0 -170.3 -99.6 PHI 36 36 A 32 VAL N A 32 VAL CA A 32 VAL C A 33 ARG N 1.0 113.5 173.5 PSI 37 37 A 32 VAL C A 33 ARG N A 33 ARG CA A 33 ARG C 1.0 -165.0 -95.2 PHI 38 38 A 33 ARG N A 33 ARG CA A 33 ARG C A 34 ASP N 1.0 112.9 196.0 PSI 39 39 A 40 GLY C A 41 ASP N A 41 ASP CA A 41 ASP C 1.0 -179.5 -25.3 PHI 40 40 A 41 ASP N A 41 ASP CA A 41 ASP C A 42 TYR N 1.0 120.9 180.9 PSI 41 41 A 41 ASP C A 42 TYR N A 42 TYR CA A 42 TYR C 1.0 -173.0 -96.1 PHI 42 42 A 42 TYR N A 42 TYR CA A 42 TYR C A 43 VAL N 1.0 126.3 186.3 PSI 43 43 A 42 TYR C A 43 VAL N A 43 VAL CA A 43 VAL C 1.0 -164.5 -104.5 PHI 44 44 A 43 VAL N A 43 VAL CA A 43 VAL C A 44 LEU N 1.0 96.1 156.1 PSI 45 45 A 43 VAL C A 44 LEU N A 44 LEU CA A 44 LEU C 1.0 -147.4 -74.6 PHI 46 46 A 44 LEU N A 44 LEU CA A 44 LEU C A 45 SER N 1.0 90.6 150.6 PSI 47 47 A 44 LEU C A 45 SER N A 45 SER CA A 45 SER C 1.0 -141.1 -80.5 PHI 48 48 A 45 SER N A 45 SER CA A 45 SER C A 46 CYS N 1.0 102.2 162.2 PSI 49 49 A 45 SER C A 46 CYS N A 46 CYS CA A 46 CYS C 1.0 -179.7 -87.1 PHI 50 50 A 46 CYS N A 46 CYS CA A 46 CYS C A 47 SER N 1.0 106.9 197.8 PSI 51 51 A 46 CYS C A 47 SER N A 47 SER CA A 47 SER C 1.0 -151.3 -64.7 PHI 52 52 A 47 SER N A 47 SER CA A 47 SER C A 48 GLU N 1.0 91.0 151.0 PSI 53 53 A 47 SER C A 48 GLU N A 48 GLU CA A 48 GLU C 1.0 -163.5 -103.5 PHI 54 54 A 48 GLU N A 48 GLU CA A 48 GLU C A 49 ASN N 1.0 99.0 159.0 PSI 55 55 A 50 GLY C A 51 LYS N A 51 LYS CA A 51 LYS C 1.0 -143.5 -83.5 PHI 56 56 A 51 LYS N A 51 LYS CA A 51 LYS C A 52 VAL N 1.0 99.3 193.1 PSI 57 57 A 51 LYS C A 52 VAL N A 52 VAL CA A 52 VAL C 1.0 -157.2 -66.4 PHI 58 58 A 52 VAL N A 52 VAL CA A 52 VAL C A 53 THR N 1.0 89.8 158.3 PSI 59 59 A 52 VAL C A 53 THR N A 53 THR CA A 53 THR C 1.0 -189.2 -58.9 PHI 60 60 A 53 THR N A 53 THR CA A 53 THR C A 54 HIS N 1.0 125.3 196.7 PSI 61 61 A 53 THR C A 54 HIS N A 54 HIS CA A 54 HIS C 1.0 -164.4 -104.4 PHI 62 62 A 54 HIS N A 54 HIS CA A 54 HIS C A 55 TYR N 1.0 124.9 184.9 PSI 63 63 A 54 HIS C A 55 TYR N A 55 TYR CA A 55 TYR C 1.0 -178.3 -61.9 PHI 64 64 A 55 TYR N A 55 TYR CA A 55 TYR C A 56 LYS N 1.0 105.0 165.1 PSI 65 65 A 55 TYR C A 56 LYS N A 56 LYS CA A 56 LYS C 1.0 -124.3 -53.2 PHI 66 66 A 56 LYS N A 56 LYS CA A 56 LYS C A 57 LEU N 1.0 94.1 154.1 PSI 67 67 A 56 LYS C A 57 LEU N A 57 LEU CA A 57 LEU C 1.0 -142.9 -55.8 PHI 68 68 A 57 LEU N A 57 LEU CA A 57 LEU C A 58 SER N 1.0 105.8 172.4 PSI 69 69 A 57 LEU C A 58 SER N A 58 SER CA A 58 SER C 1.0 -167.9 -39.6 PHI 70 70 A 58 SER N A 58 SER CA A 58 SER C A 59 ALA N 1.0 74.8 163.8 PSI 71 71 A 58 SER C A 59 ALA N A 59 ALA CA A 59 ALA C 1.0 -122.5 -59.3 PHI 72 72 A 59 ALA N A 59 ALA CA A 59 ALA C A 60 GLU N 1.0 97.2 157.2 PSI 73 73 A 59 ALA C A 60 GLU N A 60 GLU CA A 60 GLU C 1.0 -172.9 -87.3 PHI 74 74 A 60 GLU N A 60 GLU CA A 60 GLU C A 61 GLU N 1.0 88.8 148.8 PSI 75 75 A 62 GLY C A 63 LYS N A 63 LYS CA A 63 LYS C 1.0 -168.1 -73.8 PHI 76 76 A 63 LYS N A 63 LYS CA A 63 LYS C A 64 ILE N 1.0 102.8 189.6 PSI 77 77 A 63 LYS C A 64 ILE N A 64 ILE CA A 64 ILE C 1.0 -140.1 -80.1 PHI 78 78 A 64 ILE N A 64 ILE CA A 64 ILE C A 65 ARG N 1.0 93.1 153.1 PSI 79 79 A 64 ILE C A 65 ARG N A 65 ARG CA A 65 ARG C 1.0 -145.2 -85.2 PHI 80 80 A 65 ARG N A 65 ARG CA A 65 ARG C A 66 ILE N 1.0 96.5 156.5 PSI 81 81 A 65 ARG C A 66 ILE N A 66 ILE CA A 66 ILE C 1.0 -139.1 -79.1 PHI 82 82 A 66 ILE N A 66 ILE CA A 66 ILE C A 67 ASP N 1.0 77.9 166.3 PSI 83 83 A 73 ASN C A 74 LEU N A 74 LEU CA A 74 LEU C 1.0 -89.8 -29.8 PHI 84 84 A 74 LEU N A 74 LEU CA A 74 LEU C A 75 ASP N 1.0 -70.5 -5.8 PSI 85 85 A 74 LEU C A 75 ASP N A 75 ASP CA A 75 ASP C 1.0 -90.5 -30.5 PHI 86 86 A 75 ASP N A 75 ASP CA A 75 ASP C A 76 ALA N 1.0 -69.2 -9.2 PSI 87 87 A 75 ASP C A 76 ALA N A 76 ALA CA A 76 ALA C 1.0 -95.1 -35.1 PHI 88 88 A 76 ALA N A 76 ALA CA A 76 ALA C A 77 ALA N 1.0 -66.4 -6.4 PSI 89 89 A 76 ALA C A 77 ALA N A 77 ALA CA A 77 ALA C 1.0 -93.1 -33.1 PHI 90 90 A 77 ALA N A 77 ALA CA A 77 ALA C A 78 ILE N 1.0 -71.8 -11.8 PSI 91 91 A 77 ALA C A 78 ILE N A 78 ILE CA A 78 ILE C 1.0 -95.5 -35.5 PHI 92 92 A 78 ILE N A 78 ILE CA A 78 ILE C A 79 THR N 1.0 -70.2 -5.3 PSI 93 93 A 78 ILE C A 79 THR N A 79 THR CA A 79 THR C 1.0 -92.1 -32.1 PHI 94 94 A 79 THR N A 79 THR CA A 79 THR C A 80 PHE N 1.0 -72.5 -12.5 PSI 95 95 A 79 THR C A 80 PHE N A 80 PHE CA A 80 PHE C 1.0 -92.4 -32.4 PHI 96 96 A 80 PHE N A 80 PHE CA A 80 PHE C A 81 TYR N 1.0 -72.9 -12.9 PSI 97 97 A 80 PHE C A 81 TYR N A 81 TYR CA A 81 TYR C 1.0 -94.8 -34.8 PHI 98 98 A 81 TYR N A 81 TYR CA A 81 TYR C A 82 MET N 1.0 -78.5 16.7 PSI 99 99 A 81 TYR C A 82 MET N A 82 MET CA A 82 MET C 1.0 -104.9 -44.9 PHI 100 100 A 82 MET N A 82 MET CA A 82 MET C A 83 GLU N 1.0 -55.8 4.2 PSI 101 101 A 94 PRO C A 95 LEU N A 95 LEU CA A 95 LEU C 1.0 -171.9 -20.2 PHI 102 102 A 95 LEU N A 95 LEU CA A 95 LEU C A 96 GLN N 1.0 89.3 157.5 PSI 103 103 A 95 LEU C A 96 GLN N A 96 GLN CA A 96 GLN C 1.0 -135.2 -49.3 PHI 104 104 A 96 GLN N A 96 GLN CA A 96 GLN C A 97 ARG N 1.0 60.1 171.6 PSI stop_ save_