data_nef_c17962_2lju 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 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 -3 GLY start . false 2 A -2 PRO middle . false 3 A -1 GLY middle . false 4 A 0 SER middle . . 5 A 1 MET middle . . 6 A 2 GLN middle . . 7 A 3 GLU middle . . 8 A 4 GLN middle . . 9 A 5 VAL middle . . 10 A 6 SER middle . . 11 A 7 ASN middle . . 12 A 8 VAL middle . . 13 A 9 ARG middle . . 14 A 10 ALA middle . . 15 A 11 ARG middle . . 16 A 12 ILE middle . . 17 A 13 TYR middle . . 18 A 14 LYS middle . . 19 A 15 PRO middle . false 20 A 16 ALA middle . . 21 A 17 LYS middle . . 22 A 18 SER middle . . 23 A 19 THR middle . . 24 A 20 MET middle . . 25 A 21 GLN middle . . 26 A 22 SER middle . . 27 A 23 GLY middle . false 28 A 24 HIS middle . . 29 A 25 SER middle . . 30 A 26 LYS middle . . 31 A 27 LEU middle . . 32 A 28 LYS middle . . 33 A 29 ALA middle . . 34 A 30 TRP middle . . 35 A 31 LYS middle . . 36 A 32 LEU middle . . 37 A 33 GLU middle . . 38 A 34 PHE middle . . 39 A 35 GLU middle . . 40 A 36 PRO middle . false 41 A 37 SER middle . . 42 A 38 CYS middle . . 43 A 39 THR middle . . 44 A 40 GLN middle . . 45 A 41 TYR middle . . 46 A 42 THR middle . . 47 A 43 GLU middle . . 48 A 44 PRO middle . false 49 A 45 LEU middle . . 50 A 46 MET middle . . 51 A 47 ASN middle . . 52 A 48 TRP middle . . 53 A 49 THR middle . . 54 A 50 GLY middle . false 55 A 51 SER middle . . 56 A 52 HIS middle . . 57 A 53 ASP middle . . 58 A 54 THR middle . . 59 A 55 LYS middle . . 60 A 56 GLN middle . . 61 A 57 GLN middle . . 62 A 58 VAL middle . . 63 A 59 CYS middle . . 64 A 60 LEU middle . . 65 A 61 SER middle . . 66 A 62 PHE middle . . 67 A 63 THR middle . . 68 A 64 THR middle . . 69 A 65 ARG middle . . 70 A 66 GLU middle . . 71 A 67 LEU middle . . 72 A 68 ALA middle . . 73 A 69 ILE middle . . 74 A 70 ALA middle . . 75 A 71 TYR middle . . 76 A 72 ALA middle . . 77 A 73 VAL middle . . 78 A 74 ALA middle . . 79 A 75 HIS middle . . 80 A 76 LYS middle . . 81 A 77 ILE middle . . 82 A 78 ASP middle . . 83 A 79 TYR middle . . 84 A 80 THR middle . . 85 A 81 VAL middle . . 86 A 82 LEU middle . . 87 A 83 GLN middle . . 88 A 84 ASP middle . . 89 A 85 ASN middle . . 90 A 86 PRO middle . false 91 A 87 ARG middle . . 92 A 88 THR middle . . 93 A 89 ILE middle . . 94 A 90 VAL middle . . 95 A 91 PRO middle . false 96 A 92 LYS middle . . 97 A 93 SER middle . . 98 A 94 TYR middle . . 99 A 95 ALA middle . . 100 A 96 ASP middle . . 101 A 97 ASN middle . . 102 A 98 PHE middle . . 103 A 99 THR middle . . 104 A 100 LYS middle . . 105 A 101 PRO middle . false 106 A 102 ARG middle . . 107 A 103 ASP middle . . 108 A 104 MET 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 1 MET HA H 1 4.490 0.000 A 1 MET C C 13 176.264 0.006 A 1 MET CA C 13 55.401 0.022 A 1 MET CB C 13 32.297 0.000 A 1 MET N N 15 122.139 0.063 A 2 GLN H H 1 8.389 0.004 A 2 GLN CA C 13 55.662 0.014 A 2 GLN CB C 13 28.959 0.000 A 2 GLN N N 15 121.079 0.096 A 3 GLU H H 1 8.432 0.002 A 3 GLU HA H 1 4.338 0.000 A 3 GLU HBy H 1 1.820 0.000 A 3 GLU C C 13 176.379 0.036 A 3 GLU CA C 13 56.016 0.033 A 3 GLU CB C 13 31.865 0.002 A 3 GLU N N 15 121.939 0.064 A 4 GLN H H 1 8.240 0.002 A 4 GLN HA H 1 4.387 0.001 A 4 GLN HBy H 1 2.118 0.000 A 4 GLN HBx H 1 2.012 0.000 A 4 GLN HGy H 1 2.372 0.000 A 4 GLN C C 13 175.811 0.000 A 4 GLN CA C 13 55.336 0.051 A 4 GLN CB C 13 29.032 0.008 A 4 GLN CG C 13 33.465 0.047 A 4 GLN N N 15 120.510 0.044 A 5 VAL H H 1 8.247 0.001 A 5 VAL HA H 1 4.202 0.001 A 5 VAL HB H 1 2.119 0.003 A 5 VAL HG1% H 1 0.950 0.000 A 5 VAL HG2% H 1 0.948 0.003 A 5 VAL C C 13 175.943 0.000 A 5 VAL CA C 13 61.773 0.086 A 5 VAL CB C 13 32.387 0.048 A 5 VAL CGy C 13 20.788 0.053 A 5 VAL CGx C 13 19.843 0.051 A 5 VAL N N 15 121.358 0.007 A 6 SER H H 1 8.444 0.001 A 6 SER HA H 1 4.545 0.001 A 6 SER HBy H 1 3.893 0.002 A 6 SER C C 13 173.962 0.000 A 6 SER CA C 13 57.727 0.080 A 6 SER CB C 13 63.694 0.073 A 6 SER N N 15 119.239 0.017 A 7 ASN H H 1 8.553 0.001 A 7 ASN HA H 1 4.819 0.000 A 7 ASN HBy H 1 2.888 0.009 A 7 ASN HBx H 1 2.787 0.001 A 7 ASN HD2y H 1 7.648 0.000 A 7 ASN HD2x H 1 6.946 0.000 A 7 ASN C C 13 174.815 0.000 A 7 ASN CA C 13 52.925 0.069 A 7 ASN CB C 13 38.492 0.053 A 7 ASN N N 15 121.138 0.011 A 7 ASN ND2 N 15 112.653 0.008 A 8 VAL H H 1 8.320 0.001 A 8 VAL HA H 1 4.269 0.004 A 8 VAL HB H 1 2.151 0.002 A 8 VAL HG2% H 1 1.013 0.007 A 8 VAL C C 13 174.697 0.000 A 8 VAL CA C 13 62.112 0.021 A 8 VAL CB C 13 32.563 0.065 A 8 VAL CGy C 13 20.641 0.000 A 8 VAL N N 15 120.844 0.028 A 9 ARG H H 1 8.489 0.007 A 9 ARG HA H 1 5.132 0.000 A 9 ARG HBy H 1 1.829 0.000 A 9 ARG HBx H 1 1.717 0.000 A 9 ARG HDy H 1 3.177 0.000 A 9 ARG C C 13 175.472 0.000 A 9 ARG CA C 13 54.782 0.014 A 9 ARG CB C 13 32.625 0.009 A 9 ARG CD C 13 43.367 0.000 A 9 ARG N N 15 124.794 0.056 A 10 ALA H H 1 8.512 0.003 A 10 ALA HA H 1 5.153 0.000 A 10 ALA HB% H 1 1.061 0.004 A 10 ALA C C 13 176.011 0.000 A 10 ALA CA C 13 50.681 0.028 A 10 ALA CB C 13 23.325 0.026 A 10 ALA N N 15 121.587 0.016 A 11 ARG H H 1 9.008 0.003 A 11 ARG HA H 1 5.339 0.000 A 11 ARG HBy H 1 1.830 0.000 A 11 ARG C C 13 174.710 0.000 A 11 ARG CA C 13 54.044 0.049 A 11 ARG CB C 13 32.794 0.036 A 11 ARG CD C 13 43.192 0.051 A 11 ARG CG C 13 26.800 0.000 A 11 ARG N N 15 119.573 0.018 A 12 ILE H H 1 8.908 0.003 A 12 ILE HA H 1 5.763 0.002 A 12 ILE HB H 1 1.762 0.008 A 12 ILE HD1% H 1 0.348 0.001 A 12 ILE HG1x H 1 0.851 0.002 A 12 ILE HG1y H 1 1.584 0.007 A 12 ILE HG2% H 1 1.002 0.000 A 12 ILE C C 13 174.880 0.000 A 12 ILE CA C 13 59.607 0.083 A 12 ILE CB C 13 40.412 0.037 A 12 ILE CD1 C 13 13.728 0.061 A 12 ILE CG1 C 13 28.559 0.090 A 12 ILE CG2 C 13 16.977 0.001 A 12 ILE N N 15 123.253 0.024 A 13 TYR H H 1 9.022 0.002 A 13 TYR HA H 1 5.173 0.000 A 13 TYR HBy H 1 3.239 0.000 A 13 TYR HBx H 1 2.912 0.000 A 13 TYR HDx H 1 6.706 0.005 A 13 TYR HDy H 1 6.706 0.005 A 13 TYR C C 13 171.159 0.002 A 13 TYR CA C 13 55.824 0.000 A 13 TYR CB C 13 39.893 0.039 A 13 TYR CDx C 13 133.472 0.000 A 13 TYR CDy C 13 133.472 0.000 A 13 TYR N N 15 123.009 0.015 A 14 LYS H H 1 8.438 0.001 A 14 LYS HA H 1 4.515 0.000 A 14 LYS HBy H 1 0.966 0.000 A 14 LYS HDx H 1 1.079 0.000 A 14 LYS HDy H 1 1.213 0.000 A 14 LYS HEy H 1 2.723 0.000 A 14 LYS HGx H 1 0.280 0.000 A 14 LYS HGy H 1 0.466 0.000 A 14 LYS CA C 13 51.513 0.000 A 14 LYS CB C 13 31.688 0.000 A 14 LYS CD C 13 28.592 0.035 A 14 LYS CE C 13 41.237 0.000 A 14 LYS CG C 13 22.626 0.033 A 14 LYS N N 15 122.911 0.015 A 15 PRO HA H 1 4.430 0.000 A 15 PRO HBx H 1 1.890 0.000 A 15 PRO HBy H 1 2.317 0.000 A 15 PRO C C 13 176.165 0.000 A 15 PRO CA C 13 62.195 0.000 A 15 PRO CB C 13 32.006 0.000 A 15 PRO CD C 13 50.417 0.000 A 15 PRO CG C 13 26.922 0.000 A 16 ALA H H 1 8.525 0.002 A 16 ALA HA H 1 4.230 0.000 A 16 ALA HB% H 1 1.412 0.000 A 16 ALA C C 13 177.959 0.000 A 16 ALA CA C 13 52.269 0.067 A 16 ALA CB C 13 18.649 0.024 A 16 ALA N N 15 124.594 0.019 A 17 LYS H H 1 8.301 0.002 A 17 LYS CA C 13 56.043 0.031 A 17 LYS CB C 13 28.985 0.000 A 17 LYS N N 15 120.363 0.006 A 19 THR C C 13 173.134 0.000 A 20 MET H H 1 8.271 0.004 A 20 MET CA C 13 53.953 0.000 A 20 MET CB C 13 29.905 0.000 A 20 MET N N 15 122.417 0.000 A 21 GLN HA H 1 4.339 0.000 A 21 GLN HBy H 1 2.107 0.000 A 21 GLN HBx H 1 1.953 0.000 A 21 GLN C C 13 175.870 0.000 A 21 GLN CA C 13 55.653 0.000 A 21 GLN CB C 13 29.033 0.000 A 22 SER H H 1 8.372 0.001 A 22 SER HA H 1 3.875 0.000 A 22 SER HBy H 1 4.413 0.000 A 22 SER C C 13 175.084 0.000 A 22 SER CA C 13 58.098 0.000 A 22 SER CB C 13 63.413 0.048 A 22 SER N N 15 116.763 0.012 A 23 GLY H H 1 8.549 0.011 A 23 GLY CA C 13 44.950 0.000 A 23 GLY N N 15 110.854 0.062 A 24 HIS CA C 13 58.161 0.000 A 24 HIS CB C 13 27.716 0.000 A 25 SER H H 1 8.194 0.005 A 25 SER HA H 1 4.299 0.000 A 25 SER C C 13 174.781 0.000 A 25 SER CA C 13 61.904 0.006 A 25 SER N N 15 115.769 0.071 A 26 LYS H H 1 8.334 0.002 A 26 LYS HA H 1 4.290 0.000 A 26 LYS HBy H 1 1.859 0.000 A 26 LYS HBx H 1 1.743 0.000 A 26 LYS C C 13 176.445 0.000 A 26 LYS CA C 13 56.169 0.063 A 26 LYS CB C 13 32.138 0.015 A 26 LYS CE C 13 41.626 0.000 A 26 LYS N N 15 122.841 0.016 A 27 LEU H H 1 8.012 0.003 A 27 LEU HA H 1 4.259 0.003 A 27 LEU HBy H 1 1.584 0.006 A 27 LEU HD1% H 1 0.857 0.001 A 27 LEU HD2% H 1 0.893 0.002 A 27 LEU HG H 1 1.581 0.005 A 27 LEU C C 13 177.277 0.000 A 27 LEU CA C 13 55.139 0.072 A 27 LEU CB C 13 41.974 0.031 A 27 LEU CDx C 13 23.163 0.053 A 27 LEU CDy C 13 24.203 0.038 A 27 LEU CG C 13 26.644 0.011 A 27 LEU N N 15 121.597 0.014 A 28 LYS H H 1 8.214 0.002 A 28 LYS HA H 1 4.299 0.000 A 28 LYS HBy H 1 1.635 0.000 A 28 LYS HBx H 1 1.479 0.000 A 28 LYS HEy H 1 2.904 0.000 A 28 LYS C C 13 175.377 0.000 A 28 LYS CA C 13 55.252 0.026 A 28 LYS CB C 13 31.854 0.012 A 28 LYS CD C 13 28.952 0.000 A 28 LYS CE C 13 41.703 0.000 A 28 LYS CG C 13 24.140 0.000 A 28 LYS N N 15 122.665 0.037 A 29 ALA H H 1 8.102 0.002 A 29 ALA HA H 1 4.076 0.001 A 29 ALA HB% H 1 1.358 0.001 A 29 ALA C C 13 176.946 0.000 A 29 ALA CA C 13 53.189 0.005 A 29 ALA CB C 13 20.288 0.021 A 29 ALA N N 15 123.209 0.010 A 30 TRP H H 1 8.412 0.001 A 30 TRP HA H 1 4.345 0.000 A 30 TRP HBy H 1 2.828 0.000 A 30 TRP HBx H 1 2.702 0.000 A 30 TRP HD1 H 1 6.968 0.007 A 30 TRP HE1 H 1 10.340 0.001 A 30 TRP HE3 H 1 7.182 0.014 A 30 TRP HZ3 H 1 6.991 0.000 A 30 TRP C C 13 175.128 0.001 A 30 TRP CA C 13 56.853 0.081 A 30 TRP CB C 13 29.362 0.040 A 30 TRP CD1 C 13 125.962 0.000 A 30 TRP N N 15 129.172 0.000 A 30 TRP NE1 N 15 129.184 0.000 A 31 LYS H H 1 9.096 0.002 A 31 LYS HA H 1 5.095 0.000 A 31 LYS HBy H 1 1.285 0.004 A 31 LYS HBx H 1 1.001 0.009 A 31 LYS HEy H 1 2.829 0.000 A 31 LYS C C 13 174.028 0.000 A 31 LYS CA C 13 53.503 0.017 A 31 LYS CB C 13 34.849 0.037 A 31 LYS CD C 13 28.588 0.000 A 31 LYS CE C 13 41.970 0.000 A 31 LYS CG C 13 24.654 0.000 A 31 LYS N N 15 122.290 0.014 A 32 LEU H H 1 8.667 0.004 A 32 LEU HA H 1 5.131 0.000 A 32 LEU HBy H 1 1.870 0.000 A 32 LEU HBx H 1 1.314 0.000 A 32 LEU HD2% H 1 0.477 0.000 A 32 LEU HG H 1 0.711 0.000 A 32 LEU C C 13 174.186 0.000 A 32 LEU CA C 13 53.829 0.055 A 32 LEU CB C 13 45.668 0.029 A 32 LEU CDy C 13 25.905 0.080 A 32 LEU CG C 13 26.850 0.000 A 32 LEU N N 15 123.282 0.023 A 33 GLU H H 1 9.332 0.002 A 33 GLU HA H 1 5.213 0.000 A 33 GLU HBx H 1 2.069 0.000 A 33 GLU HBy H 1 2.282 0.000 A 33 GLU C C 13 175.647 0.000 A 33 GLU CA C 13 53.888 0.062 A 33 GLU CB C 13 34.229 0.017 A 33 GLU CG C 13 36.466 0.000 A 33 GLU N N 15 126.755 0.021 A 34 PHE H H 1 8.741 0.001 A 34 PHE HA H 1 4.870 0.000 A 34 PHE HBx H 1 3.019 0.000 A 34 PHE HBy H 1 3.238 0.000 A 34 PHE HDx H 1 7.212 0.000 A 34 PHE HDy H 1 7.212 0.000 A 34 PHE C C 13 175.172 0.000 A 34 PHE CA C 13 58.003 0.033 A 34 PHE CB C 13 39.563 0.023 A 34 PHE CDx C 13 133.416 0.000 A 34 PHE CDy C 13 133.416 0.000 A 34 PHE N N 15 125.009 0.013 A 35 GLU H H 1 8.698 0.001 A 35 GLU C C 13 174.835 0.000 A 35 GLU CA C 13 53.764 0.000 A 35 GLU CB C 13 29.605 0.000 A 35 GLU N N 15 122.571 0.050 A 36 PRO HA H 1 4.543 0.000 A 36 PRO HBy H 1 2.320 0.000 A 36 PRO HBx H 1 2.015 0.000 A 36 PRO C C 13 176.879 0.000 A 36 PRO CA C 13 62.990 0.000 A 36 PRO CB C 13 31.746 0.000 A 36 PRO CD C 13 49.209 0.000 A 36 PRO CG C 13 27.036 0.000 A 37 SER H H 1 8.507 0.002 A 37 SER HA H 1 3.849 0.000 A 37 SER C C 13 174.814 0.000 A 37 SER CA C 13 58.292 0.000 A 37 SER CB C 13 63.486 0.000 A 37 SER N N 15 115.459 0.040 A 38 CYS H H 1 8.423 0.001 A 38 CYS HA H 1 4.402 0.000 A 38 CYS HBy H 1 1.828 0.000 A 38 CYS C C 13 176.552 0.000 A 38 CYS CA C 13 55.879 0.000 A 38 CYS CB C 13 30.259 0.000 A 38 CYS N N 15 122.863 0.001 A 39 THR H H 1 8.410 0.003 A 39 THR HA H 1 4.229 0.000 A 39 THR C C 13 174.309 0.000 A 39 THR CA C 13 61.844 0.030 A 39 THR CB C 13 69.236 0.056 A 39 THR N N 15 117.868 0.065 A 40 GLN H H 1 8.292 0.004 A 40 GLN HA H 1 4.298 0.003 A 40 GLN HBy H 1 1.938 0.000 A 40 GLN C C 13 175.407 0.038 A 40 GLN CA C 13 55.661 0.059 A 40 GLN CB C 13 28.922 0.022 A 40 GLN CG C 13 32.962 0.000 A 40 GLN N N 15 121.814 0.073 A 41 TYR H H 1 8.188 0.002 A 41 TYR HA H 1 4.637 0.000 A 41 TYR HBy H 1 3.076 0.002 A 41 TYR HBx H 1 2.912 0.003 A 41 TYR HDx H 1 7.102 0.009 A 41 TYR HDy H 1 7.102 0.009 A 41 TYR HEx H 1 6.829 0.000 A 41 TYR HEy H 1 6.829 0.000 A 41 TYR C C 13 175.716 0.050 A 41 TYR CA C 13 57.525 0.012 A 41 TYR CB C 13 38.400 0.036 A 41 TYR CDx C 13 133.408 0.000 A 41 TYR CDy C 13 133.408 0.000 A 41 TYR N N 15 120.855 0.025 A 42 THR H H 1 7.961 0.001 A 42 THR HA H 1 4.289 0.000 A 42 THR HB H 1 4.170 0.000 A 42 THR HG2% H 1 1.177 0.001 A 42 THR C C 13 173.917 0.010 A 42 THR CA C 13 61.404 0.088 A 42 THR CB C 13 69.420 0.020 A 42 THR CG2 C 13 21.259 0.057 A 42 THR N N 15 115.141 0.011 A 43 GLU H H 1 8.158 0.001 A 43 GLU C C 13 174.504 0.000 A 43 GLU CA C 13 54.539 0.000 A 43 GLU CB C 13 29.217 0.000 A 43 GLU N N 15 123.890 0.013 A 44 PRO HBy H 1 2.266 0.000 A 44 PRO C C 13 177.012 0.000 A 44 PRO CA C 13 63.218 0.000 A 45 LEU H H 1 8.241 0.001 A 45 LEU HA H 1 4.281 0.000 A 45 LEU HBy H 1 1.634 0.000 A 45 LEU HBx H 1 1.554 0.000 A 45 LEU HD1% H 1 0.864 0.000 A 45 LEU HD2% H 1 0.825 0.000 A 45 LEU HG H 1 1.585 0.000 A 45 LEU C C 13 177.379 0.042 A 45 LEU CA C 13 54.951 0.000 A 45 LEU CB C 13 41.541 0.016 A 45 LEU CDy C 13 24.549 0.000 A 45 LEU CDx C 13 23.020 0.000 A 45 LEU CG C 13 26.604 0.000 A 45 LEU N N 15 120.624 0.027 A 46 MET H H 1 8.167 0.004 A 46 MET HA H 1 4.382 0.000 A 46 MET HBy H 1 1.908 0.000 A 46 MET C C 13 175.772 0.000 A 46 MET CA C 13 55.140 0.014 A 46 MET CB C 13 32.108 0.084 A 46 MET N N 15 119.535 0.028 A 47 ASN H H 1 8.299 0.001 A 47 ASN HA H 1 4.668 0.000 A 47 ASN HBy H 1 2.784 0.000 A 47 ASN HD2x H 1 6.905 0.000 A 47 ASN HD2y H 1 7.585 0.000 A 47 ASN C C 13 174.777 0.000 A 47 ASN CA C 13 52.854 0.040 A 47 ASN CB C 13 38.142 0.000 A 47 ASN N N 15 118.736 0.016 A 47 ASN ND2 N 15 112.631 0.003 A 48 TRP H H 1 8.137 0.002 A 48 TRP HA H 1 4.737 0.000 A 48 TRP HBy H 1 3.282 0.002 A 48 TRP HD1 H 1 7.244 0.000 A 48 TRP HE1 H 1 10.129 0.000 A 48 TRP C C 13 176.597 0.000 A 48 TRP CA C 13 57.223 0.066 A 48 TRP CB C 13 29.260 0.024 A 48 TRP CD1 C 13 127.394 0.000 A 48 TRP N N 15 129.619 0.000 A 48 TRP NE1 N 15 129.630 0.000 A 49 THR H H 1 8.088 0.003 A 49 THR HA H 1 4.235 0.000 A 49 THR C C 13 174.758 0.031 A 49 THR CA C 13 61.509 0.000 A 49 THR CB C 13 69.356 0.003 A 49 THR CG2 C 13 20.681 0.000 A 49 THR N N 15 115.253 0.052 A 50 GLY H H 1 7.571 0.004 A 50 GLY HAy H 1 3.856 0.006 A 50 GLY HAx H 1 3.762 0.001 A 50 GLY C C 13 173.786 0.000 A 50 GLY CA C 13 44.861 0.085 A 50 GLY N N 15 110.068 0.020 A 51 SER H H 1 8.075 0.003 A 51 SER C C 13 174.525 0.000 A 51 SER CA C 13 57.694 0.000 A 51 SER CB C 13 63.488 0.000 A 51 SER N N 15 115.078 0.042 A 52 HIS HA H 1 4.626 0.000 A 52 HIS HBy H 1 3.155 0.000 A 52 HIS HBx H 1 3.039 0.000 A 52 HIS CA C 13 55.875 0.000 A 52 HIS CB C 13 30.030 0.000 A 53 ASP H H 1 8.293 0.001 A 53 ASP HA H 1 4.641 0.000 A 53 ASP HBy H 1 2.702 0.000 A 53 ASP HBx H 1 2.609 0.000 A 53 ASP C C 13 176.493 0.000 A 53 ASP CA C 13 53.845 0.000 A 53 ASP CB C 13 40.783 0.000 A 53 ASP N N 15 121.079 0.024 A 54 THR H H 1 8.133 0.003 A 54 THR C C 13 174.766 0.000 A 54 THR CA C 13 61.912 0.000 A 54 THR CB C 13 69.156 0.000 A 54 THR N N 15 114.526 0.014 A 55 LYS HA H 1 4.422 0.000 A 55 LYS HBy H 1 2.062 0.000 A 55 LYS C C 13 176.280 0.000 A 55 LYS CA C 13 56.001 0.000 A 55 LYS CB C 13 29.775 0.000 A 56 GLN H H 1 8.432 0.002 A 56 GLN HA H 1 4.311 0.000 A 56 GLN HBy H 1 2.085 0.000 A 56 GLN HBx H 1 1.963 0.000 A 56 GLN C C 13 175.472 0.000 A 56 GLN CA C 13 55.328 0.000 A 56 GLN CB C 13 29.172 0.000 A 56 GLN N N 15 121.581 0.098 A 57 GLN H H 1 8.354 0.001 A 57 GLN HA H 1 4.413 0.000 A 57 GLN HBy H 1 2.075 0.000 A 57 GLN HBx H 1 1.938 0.000 A 57 GLN HE2x H 1 6.845 0.000 A 57 GLN HE2y H 1 7.600 0.000 A 57 GLN HGy H 1 2.311 0.000 A 57 GLN C C 13 175.508 0.000 A 57 GLN CA C 13 55.324 0.032 A 57 GLN CB C 13 29.509 0.057 A 57 GLN CG C 13 33.936 0.000 A 57 GLN N N 15 121.543 0.021 A 57 GLN NE2 N 15 112.140 0.003 A 58 VAL H H 1 8.499 0.001 A 58 VAL HA H 1 4.107 0.002 A 58 VAL HB H 1 1.801 0.000 A 58 VAL HG2% H 1 0.847 0.000 A 58 VAL C C 13 174.813 0.000 A 58 VAL CA C 13 62.208 0.060 A 58 VAL CB C 13 32.232 0.068 A 58 VAL CGy C 13 20.652 0.018 A 58 VAL N N 15 123.308 0.031 A 59 CYS H H 1 8.317 0.001 A 59 CYS HA H 1 5.318 0.000 A 59 CYS HBx H 1 2.833 0.000 A 59 CYS HBy H 1 2.874 0.014 A 59 CYS C C 13 173.576 0.000 A 59 CYS CA C 13 56.745 0.000 A 59 CYS CB C 13 28.807 0.023 A 59 CYS N N 15 122.905 0.023 A 60 LEU H H 1 9.033 0.003 A 60 LEU HA H 1 4.576 0.000 A 60 LEU HBy H 1 1.592 0.003 A 60 LEU HBx H 1 1.218 0.007 A 60 LEU HD1% H 1 0.702 0.000 A 60 LEU HD2% H 1 0.741 0.000 A 60 LEU HG H 1 1.577 0.000 A 60 LEU C C 13 175.187 0.000 A 60 LEU CA C 13 53.462 0.004 A 60 LEU CB C 13 45.053 0.023 A 60 LEU CDy C 13 25.602 0.000 A 60 LEU CDx C 13 22.633 0.057 A 60 LEU CG C 13 26.849 0.021 A 60 LEU N N 15 127.313 0.014 A 61 SER H H 1 7.865 0.002 A 61 SER HA H 1 5.508 0.001 A 61 SER HBx H 1 3.521 0.002 A 61 SER HBy H 1 3.690 0.001 A 61 SER C C 13 172.825 0.000 A 61 SER CA C 13 56.874 0.022 A 61 SER CB C 13 65.131 0.019 A 61 SER N N 15 114.502 0.014 A 62 PHE H H 1 9.379 0.002 A 62 PHE HA H 1 4.890 0.000 A 62 PHE HBx H 1 2.546 0.000 A 62 PHE HBy H 1 3.198 0.000 A 62 PHE HDx H 1 7.009 0.000 A 62 PHE HDy H 1 7.009 0.000 A 62 PHE HEx H 1 6.568 0.000 A 62 PHE HEy H 1 6.568 0.000 A 62 PHE HZ H 1 6.226 0.000 A 62 PHE C C 13 175.747 0.000 A 62 PHE CA C 13 56.260 0.000 A 62 PHE CB C 13 44.909 0.027 A 62 PHE CZ C 13 129.141 0.000 A 62 PHE N N 15 118.954 0.027 A 63 THR H H 1 9.169 0.005 A 63 THR HA H 1 4.472 0.001 A 63 THR HB H 1 4.326 0.000 A 63 THR HG2% H 1 1.444 0.002 A 63 THR C C 13 175.599 0.000 A 63 THR CA C 13 64.558 0.095 A 63 THR CB C 13 68.742 0.073 A 63 THR CG2 C 13 22.919 0.041 A 63 THR N N 15 112.743 0.053 A 64 THR H H 1 7.021 0.002 A 64 THR HA H 1 4.616 0.000 A 64 THR HB H 1 4.524 0.000 A 64 THR HG2% H 1 1.254 0.000 A 64 THR C C 13 172.851 0.000 A 64 THR CA C 13 58.326 0.055 A 64 THR CB C 13 72.517 0.016 A 64 THR CG2 C 13 21.259 0.000 A 64 THR N N 15 106.164 0.016 A 65 ARG H H 1 7.466 0.003 A 65 ARG HA H 1 2.454 0.003 A 65 ARG HBx H 1 -0.461 0.000 A 65 ARG HBy H 1 0.761 0.000 A 65 ARG HDx H 1 2.800 0.000 A 65 ARG HDy H 1 3.013 0.001 A 65 ARG HGx H 1 0.592 0.000 A 65 ARG HGy H 1 0.944 0.000 A 65 ARG C C 13 177.239 0.000 A 65 ARG CA C 13 58.218 0.071 A 65 ARG CB C 13 28.649 0.066 A 65 ARG CD C 13 42.775 0.016 A 65 ARG CG C 13 25.766 0.000 A 65 ARG N N 15 121.703 0.009 A 66 GLU H H 1 8.315 0.001 A 66 GLU HA H 1 3.577 0.001 A 66 GLU HBy H 1 1.949 0.000 A 66 GLU HBx H 1 1.783 0.000 A 66 GLU C C 13 179.667 0.000 A 66 GLU CA C 13 60.321 0.026 A 66 GLU CB C 13 28.071 0.038 A 66 GLU N N 15 116.080 0.047 A 67 LEU H H 1 7.803 0.001 A 67 LEU HA H 1 4.023 0.000 A 67 LEU HBy H 1 1.799 0.015 A 67 LEU HBx H 1 1.582 0.000 A 67 LEU HD1% H 1 1.127 0.001 A 67 LEU HD2% H 1 0.937 0.001 A 67 LEU HG H 1 1.583 0.000 A 67 LEU C C 13 178.632 0.000 A 67 LEU CA C 13 57.151 0.084 A 67 LEU CB C 13 41.469 0.031 A 67 LEU CDy C 13 25.498 0.095 A 67 LEU CDx C 13 22.216 0.021 A 67 LEU CG C 13 27.092 0.000 A 67 LEU N N 15 121.239 0.024 A 68 ALA H H 1 6.871 0.003 A 68 ALA HA H 1 2.045 0.006 A 68 ALA HB% H 1 0.927 0.005 A 68 ALA C C 13 178.160 0.000 A 68 ALA CA C 13 53.693 0.002 A 68 ALA CB C 13 17.938 0.001 A 68 ALA N N 15 124.422 0.013 A 69 ILE H H 1 7.886 0.001 A 69 ILE HA H 1 2.642 0.000 A 69 ILE HB H 1 1.371 0.002 A 69 ILE HD1% H 1 0.643 0.000 A 69 ILE HG1y H 1 1.356 0.005 A 69 ILE HG1x H 1 0.198 0.007 A 69 ILE HG2% H 1 0.577 0.002 A 69 ILE C C 13 176.897 0.000 A 69 ILE CA C 13 64.900 0.063 A 69 ILE CB C 13 37.764 0.039 A 69 ILE CD1 C 13 13.927 0.023 A 69 ILE CG1 C 13 28.810 0.007 A 69 ILE CG2 C 13 15.591 0.008 A 69 ILE N N 15 117.578 0.021 A 70 ALA H H 1 7.895 0.002 A 70 ALA HA H 1 3.918 0.004 A 70 ALA HB% H 1 1.393 0.003 A 70 ALA C C 13 180.873 0.000 A 70 ALA CA C 13 54.553 0.057 A 70 ALA CB C 13 17.245 0.035 A 70 ALA N N 15 119.629 0.017 A 71 TYR H H 1 7.536 0.003 A 71 TYR HA H 1 4.147 0.003 A 71 TYR HBy H 1 2.977 0.000 A 71 TYR HBx H 1 2.876 0.000 A 71 TYR HDx H 1 7.101 0.000 A 71 TYR HDy H 1 7.101 0.000 A 71 TYR C C 13 178.430 0.000 A 71 TYR CA C 13 61.656 0.081 A 71 TYR CB C 13 38.335 0.026 A 71 TYR N N 15 119.899 0.030 A 72 ALA H H 1 7.964 0.006 A 72 ALA HA H 1 3.930 0.001 A 72 ALA HB% H 1 1.337 0.002 A 72 ALA C C 13 179.498 0.000 A 72 ALA CA C 13 55.568 0.027 A 72 ALA CB C 13 16.864 0.049 A 72 ALA N N 15 124.152 0.037 A 73 VAL H H 1 8.916 0.003 A 73 VAL HA H 1 3.849 0.002 A 73 VAL HB H 1 2.000 0.003 A 73 VAL HG1% H 1 1.137 0.002 A 73 VAL HG2% H 1 0.952 0.000 A 73 VAL C C 13 180.797 0.000 A 73 VAL CA C 13 65.582 0.003 A 73 VAL CB C 13 31.754 0.060 A 73 VAL CGy C 13 22.684 0.003 A 73 VAL CGx C 13 20.504 0.000 A 73 VAL N N 15 118.392 0.019 A 74 ALA H H 1 8.059 0.002 A 74 ALA HA H 1 4.031 0.002 A 74 ALA HB% H 1 1.261 0.002 A 74 ALA C C 13 178.649 0.000 A 74 ALA CA C 13 54.031 0.046 A 74 ALA CB C 13 17.456 0.058 A 74 ALA N N 15 122.212 0.036 A 75 HIS H H 1 7.537 0.003 A 75 HIS HA H 1 4.427 0.000 A 75 HIS HBx H 1 2.474 0.001 A 75 HIS HBy H 1 3.505 0.005 A 75 HIS CA C 13 56.137 0.042 A 75 HIS CB C 13 28.117 0.072 A 75 HIS N N 15 112.761 0.043 A 76 LYS H H 1 7.819 0.001 A 76 LYS HA H 1 3.968 0.000 A 76 LYS HBx H 1 2.000 0.000 A 76 LYS HBy H 1 2.058 0.000 A 76 LYS HEy H 1 3.015 0.000 A 76 LYS C C 13 175.152 0.000 A 76 LYS CA C 13 56.991 0.089 A 76 LYS CB C 13 28.275 0.031 A 76 LYS CE C 13 41.895 0.000 A 76 LYS N N 15 117.133 0.015 A 77 ILE H H 1 8.543 0.004 A 77 ILE HA H 1 4.168 0.002 A 77 ILE HB H 1 1.729 0.005 A 77 ILE HD1% H 1 0.905 0.001 A 77 ILE HG1y H 1 1.012 0.002 A 77 ILE HG2% H 1 0.810 0.001 A 77 ILE C C 13 176.100 0.000 A 77 ILE CA C 13 60.217 0.043 A 77 ILE CB C 13 39.466 0.056 A 77 ILE CD1 C 13 14.081 0.008 A 77 ILE CG1 C 13 27.022 0.033 A 77 ILE CG2 C 13 17.543 0.022 A 77 ILE N N 15 119.913 0.012 A 78 ASP H H 1 8.740 0.003 A 78 ASP HA H 1 4.703 0.000 A 78 ASP HBx H 1 2.676 0.000 A 78 ASP HBy H 1 2.744 0.000 A 78 ASP C C 13 174.984 0.000 A 78 ASP CA C 13 53.887 0.041 A 78 ASP CB C 13 40.387 0.072 A 78 ASP N N 15 128.552 0.019 A 79 TYR H H 1 7.679 0.002 A 79 TYR HA H 1 5.871 0.005 A 79 TYR HBy H 1 2.680 0.000 A 79 TYR HBx H 1 2.500 0.000 A 79 TYR HDx H 1 6.965 0.000 A 79 TYR HDy H 1 6.965 0.000 A 79 TYR HEx H 1 6.713 0.000 A 79 TYR HEy H 1 6.713 0.000 A 79 TYR C C 13 173.959 0.000 A 79 TYR CA C 13 54.862 0.062 A 79 TYR CB C 13 41.546 0.014 A 79 TYR CDx C 13 133.459 0.000 A 79 TYR CDy C 13 133.459 0.000 A 79 TYR CEx C 13 118.033 0.000 A 79 TYR CEy C 13 118.033 0.000 A 79 TYR N N 15 120.465 0.020 A 80 THR H H 1 8.199 0.002 A 80 THR HA H 1 4.482 0.000 A 80 THR HB H 1 3.965 0.002 A 80 THR HG2% H 1 1.206 0.001 A 80 THR C C 13 172.840 0.000 A 80 THR CA C 13 60.584 0.010 A 80 THR CB C 13 71.249 0.008 A 80 THR CG2 C 13 20.492 0.068 A 80 THR N N 15 115.291 0.027 A 81 VAL H H 1 8.986 0.003 A 81 VAL HA H 1 5.009 0.000 A 81 VAL HB H 1 2.168 0.004 A 81 VAL HG2% H 1 1.062 0.000 A 81 VAL C C 13 175.957 0.000 A 81 VAL CA C 13 60.911 0.063 A 81 VAL CB C 13 31.950 0.049 A 81 VAL CGy C 13 21.030 0.036 A 81 VAL N N 15 126.554 0.020 A 82 LEU H H 1 9.011 0.003 A 82 LEU HA H 1 4.624 0.000 A 82 LEU HBy H 1 1.814 0.001 A 82 LEU HBx H 1 1.715 0.002 A 82 LEU HD1% H 1 0.868 0.004 A 82 LEU HD2% H 1 0.819 0.001 A 82 LEU HG H 1 1.718 0.000 A 82 LEU C C 13 176.781 0.004 A 82 LEU CA C 13 54.342 0.068 A 82 LEU CB C 13 41.642 0.046 A 82 LEU CDx C 13 22.990 0.000 A 82 LEU CDy C 13 24.563 0.000 A 82 LEU CG C 13 26.959 0.043 A 82 LEU N N 15 129.175 0.010 A 83 GLN H H 1 8.645 0.001 A 83 GLN HE2x H 1 6.938 0.000 A 83 GLN HE2y H 1 7.689 0.000 A 83 GLN HGy H 1 2.468 0.000 A 83 GLN C C 13 175.252 0.012 A 83 GLN CA C 13 55.328 0.000 A 83 GLN CB C 13 29.565 0.036 A 83 GLN CG C 13 33.300 0.000 A 83 GLN N N 15 121.540 0.018 A 83 GLN NE2 N 15 112.443 0.002 A 84 ASP H H 1 8.462 0.002 A 84 ASP HA H 1 4.654 0.000 A 84 ASP HBy H 1 2.700 0.010 A 84 ASP HBx H 1 2.616 0.000 A 84 ASP C C 13 175.338 0.000 A 84 ASP CA C 13 53.699 0.074 A 84 ASP CB C 13 41.048 0.093 A 84 ASP N N 15 121.527 0.012 A 85 ASN H H 1 8.524 0.001 A 85 ASN HBy H 1 2.850 0.000 A 85 ASN HD2x H 1 6.968 0.000 A 85 ASN HD2y H 1 7.645 0.000 A 85 ASN C C 13 173.237 0.000 A 85 ASN CA C 13 50.969 0.000 A 85 ASN CB C 13 38.470 0.000 A 85 ASN N N 15 119.986 0.014 A 85 ASN ND2 N 15 113.136 0.000 A 86 PRO HA H 1 4.431 0.000 A 86 PRO HBy H 1 2.266 0.000 A 86 PRO HBx H 1 1.939 0.000 A 86 PRO C C 13 176.812 0.000 A 86 PRO CA C 13 62.960 0.000 A 86 PRO CB C 13 31.770 0.000 A 86 PRO CD C 13 50.379 0.000 A 86 PRO CG C 13 26.921 0.000 A 87 ARG H H 1 8.400 0.003 A 87 ARG HA H 1 4.353 0.000 A 87 ARG HBy H 1 1.863 0.004 A 87 ARG HBx H 1 1.791 0.001 A 87 ARG HDy H 1 3.209 0.000 A 87 ARG C C 13 176.438 0.035 A 87 ARG CA C 13 55.726 0.000 A 87 ARG CB C 13 30.320 0.101 A 87 ARG CD C 13 42.910 0.000 A 87 ARG CG C 13 26.578 0.000 A 87 ARG N N 15 120.580 0.050 A 88 THR H H 1 8.129 0.002 A 88 THR HA H 1 4.303 0.000 A 88 THR HB H 1 4.143 0.000 A 88 THR C C 13 174.060 0.003 A 88 THR CA C 13 61.697 0.060 A 88 THR CB C 13 69.323 0.021 A 88 THR CG2 C 13 21.174 0.000 A 88 THR N N 15 116.150 0.015 A 89 ILE H H 1 8.246 0.002 A 89 ILE HA H 1 4.192 0.001 A 89 ILE HB H 1 1.835 0.002 A 89 ILE HD1% H 1 0.846 0.003 A 89 ILE HG1x H 1 1.169 0.006 A 89 ILE HG1y H 1 1.475 0.001 A 89 ILE HG2% H 1 0.853 0.004 A 89 ILE C C 13 175.801 0.000 A 89 ILE CA C 13 60.376 0.046 A 89 ILE CB C 13 38.189 0.074 A 89 ILE CD1 C 13 12.214 0.012 A 89 ILE CG1 C 13 26.795 0.027 A 89 ILE CG2 C 13 16.921 0.022 A 89 ILE N N 15 124.554 0.009 A 90 VAL H H 1 8.317 0.001 A 90 VAL C C 13 174.224 0.000 A 90 VAL CA C 13 59.510 0.000 A 90 VAL CB C 13 32.053 0.000 A 90 VAL N N 15 127.102 0.012 A 91 PRO CA C 13 62.557 0.000 A 91 PRO CB C 13 31.786 0.000 A 92 LYS HA H 1 4.238 0.000 A 92 LYS HBy H 1 1.721 0.000 A 92 LYS C C 13 176.490 0.000 A 92 LYS CA C 13 56.095 0.000 A 92 LYS CB C 13 32.553 0.000 A 93 SER H H 1 8.278 0.002 A 93 SER HA H 1 4.417 0.000 A 93 SER HBy H 1 3.808 0.000 A 93 SER C C 13 174.143 0.000 A 93 SER CA C 13 57.555 0.008 A 93 SER CB C 13 63.552 0.012 A 93 SER N N 15 116.334 0.018 A 94 TYR H H 1 8.242 0.002 A 94 TYR HA H 1 4.530 0.000 A 94 TYR HBy H 1 3.073 0.000 A 94 TYR HBx H 1 2.946 0.000 A 94 TYR C C 13 175.546 0.000 A 94 TYR CA C 13 57.711 0.005 A 94 TYR CB C 13 38.359 0.012 A 94 TYR N N 15 122.315 0.019 A 95 ALA H H 1 8.149 0.002 A 95 ALA HA H 1 4.259 0.002 A 95 ALA HB% H 1 1.351 0.008 A 95 ALA C C 13 177.260 0.000 A 95 ALA CA C 13 52.160 0.038 A 95 ALA CB C 13 18.892 0.018 A 95 ALA N N 15 124.490 0.012 A 96 ASP H H 1 8.149 0.001 A 96 ASP HA H 1 4.515 0.000 A 96 ASP HBy H 1 2.616 0.000 A 96 ASP C C 13 175.992 0.000 A 96 ASP CA C 13 54.069 0.050 A 96 ASP CB C 13 40.707 0.012 A 96 ASP N N 15 119.171 0.006 A 97 ASN H H 1 8.202 0.002 A 97 ASN HA H 1 4.626 0.000 A 97 ASN HBy H 1 2.682 0.000 A 97 ASN HD2x H 1 6.855 0.000 A 97 ASN HD2y H 1 7.489 0.000 A 97 ASN C C 13 174.942 0.000 A 97 ASN CA C 13 53.001 0.036 A 97 ASN CB C 13 38.274 0.014 A 97 ASN N N 15 118.137 0.017 A 97 ASN ND2 N 15 112.735 0.007 A 98 PHE H H 1 8.176 0.002 A 98 PHE HA H 1 4.652 0.000 A 98 PHE HBy H 1 3.177 0.000 A 98 PHE HBx H 1 3.057 0.000 A 98 PHE C C 13 175.787 0.003 A 98 PHE CA C 13 57.568 0.004 A 98 PHE CB C 13 38.954 0.053 A 98 PHE N N 15 120.046 0.107 A 99 THR H H 1 8.056 0.002 A 99 THR HA H 1 4.258 0.000 A 99 THR HB H 1 4.106 0.000 A 99 THR C C 13 173.745 0.003 A 99 THR CA C 13 61.518 0.000 A 99 THR CB C 13 69.349 0.000 A 99 THR CG2 C 13 21.102 0.000 A 99 THR N N 15 116.359 0.013 A 100 LYS H H 1 8.241 0.001 A 100 LYS C C 13 174.225 0.000 A 100 LYS CA C 13 53.920 0.000 A 100 LYS CB C 13 32.043 0.000 A 100 LYS N N 15 125.514 0.014 A 101 PRO HA H 1 4.414 0.000 A 101 PRO HBy H 1 2.319 0.000 A 101 PRO C C 13 176.756 0.000 A 101 PRO CA C 13 62.664 0.000 A 101 PRO CB C 13 31.779 0.000 A 101 PRO CD C 13 50.409 0.000 A 101 PRO CG C 13 26.852 0.000 A 102 ARG H H 1 8.447 0.001 A 102 ARG HA H 1 4.290 0.000 A 102 ARG HBy H 1 1.812 0.000 A 102 ARG C C 13 176.012 0.011 A 102 ARG CA C 13 55.792 0.057 A 102 ARG CB C 13 30.252 0.048 A 102 ARG N N 15 121.276 0.052 A 103 ASP H H 1 8.412 0.002 A 103 ASP HA H 1 4.601 0.000 A 103 ASP HBx H 1 2.621 0.000 A 103 ASP HBy H 1 2.734 0.000 A 103 ASP C C 13 175.014 0.000 A 103 ASP CA C 13 54.133 0.050 A 103 ASP CB C 13 40.559 0.000 A 103 ASP N N 15 121.360 0.032 A 104 MET H H 1 7.850 0.002 A 104 MET C C 13 180.710 0.000 A 104 MET CA C 13 56.754 0.000 A 104 MET CB C 13 33.531 0.000 A 104 MET N N 15 125.154 0.014 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _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 5 VAL HA A 5 VAL HG1% 1.0 . 3.40 2 2 A 5 VAL H A 5 VAL HB 1.0 . 3.85 3 3 A 5 VAL HA A 5 VAL HG2% 1.0 . 3.40 4 4 A 8 VAL HA A 8 VAL HG2% 1.0 . 3.38 5 5 A 8 VAL HG2% A 34 PHE HD% 1.0 . 4.23 6 6 A 58 VAL HB A 59 CYS H 1.0 . 3.81 7 7 A 73 VAL H A 73 VAL HG2% 1.0 . 3.05 8 8 A 73 VAL HG2% A 74 ALA H 1.0 . 3.99 9 9 A 73 VAL HG2% A 79 TYR HE% 1.0 . 3.41 10 10 A 73 VAL HG2% A 79 TYR HD% 1.0 . 4.08 11 11 A 73 VAL HG2% A 73 VAL HA 1.0 . 2.91 12 12 A 73 VAL HG2% A 69 ILE HG2% 1.0 . 3.00 13 13 A 73 VAL HG2% A 69 ILE HG1y 1.0 . 4.74 14 14 A 81 VAL H A 81 VAL HB 1.0 . 3.72 15 15 A 10 ALA HB% A 34 PHE HA 1.0 . 4.04 16 16 A 10 ALA HB% A 12 ILE HB 1.0 . 5.16 17 17 A 10 ALA HB% A 79 TYR HBx 1.0 . 4.29 18 18 A 10 ALA HB% A 34 PHE HBx 1.0 . 4.39 19 19 A 10 ALA HB% A 34 PHE HBy 1.0 . 4.39 20 20 A 10 ALA HB% A 79 TYR HA 1.0 . 4.23 21 21 A 34 PHE HD% A 10 ALA HB% 1.0 . 4.99 22 22 A 10 ALA HB% A 34 PHE H 1.0 . 5.50 23 23 A 10 ALA HB% A 78 ASP H 1.0 . 5.50 24 24 A 29 ALA HB% A 30 TRP HBy 1.0 . 4.20 25 25 A 29 ALA HB% A 28 LYS HA 1.0 . 3.97 26 26 A 29 ALA HB% A 30 TRP HD1 1.0 . 3.78 27 27 A 29 ALA HB% A 30 TRP H 1.0 . 3.66 28 28 A 12 ILE HD1% A 68 ALA HB% 1.0 . 3.47 29 29 A 68 ALA HB% A 69 ILE HG1x 1.0 . 3.49 30 30 A 68 ALA HB% A 69 ILE HA 1.0 . 3.89 31 31 A 68 ALA HB% A 62 PHE HBy 1.0 . 4.13 32 32 A 68 ALA HB% A 67 LEU HA 1.0 . 5.19 33 33 A 73 VAL HG2% A 70 ALA HA 1.0 . 3.98 34 34 A 70 ALA HA A 73 VAL HB 1.0 . 3.85 35 35 A 73 VAL H A 70 ALA HA 1.0 . 4.42 36 36 A 73 VAL HB A 70 ALA HB% 1.0 . 4.58 37 37 A 72 ALA HA A 77 ILE HB 1.0 . 3.74 38 38 A 79 TYR HD% A 72 ALA HB% 1.0 . 3.48 39 39 A 79 TYR HE% A 72 ALA HB% 1.0 . 4.21 40 40 A 69 ILE HA A 72 ALA HB% 1.0 . 3.44 41 41 A 12 ILE HD1% A 72 ALA HB% 1.0 . 3.72 42 42 A 77 ILE HB A 72 ALA HB% 1.0 . 3.58 43 43 A 73 VAL HG1% A 74 ALA HA 1.0 . 4.13 44 44 A 73 VAL HB A 74 ALA HB% 1.0 . 4.44 45 45 A 74 ALA HB% A 75 HIS HA 1.0 . 4.44 46 46 A 74 ALA H A 74 ALA HB% 1.0 . 2.93 47 47 A 27 LEU HA A 27 LEU HD1% 1.0 . 4.57 48 48 A 27 LEU HA A 27 LEU HD2% 1.0 . 4.57 49 49 A 45 LEU HA A 45 LEU HD1% 1.0 . 4.94 50 50 A 45 LEU HA A 45 LEU HD2% 1.0 . 4.94 51 51 A 32 LEU HBx A 62 PHE HD% 1.0 . 4.28 52 52 A 62 PHE HD% A 32 LEU HBy 1.0 . 4.27 53 53 A 62 PHE HD% A 32 LEU HG 1.0 . 3.59 54 54 A 32 LEU HG A 32 LEU HA 1.0 . 3.98 55 55 A 32 LEU HG A 11 ARG H 1.0 . 5.50 56 56 A 67 LEU HA A 70 ALA HB% 1.0 . 3.42 57 57 A 67 LEU HA A 67 LEU HG 1.0 . 4.24 58 58 A 62 PHE HD% A 67 LEU HBx 1.0 . 4.40 59 59 A 12 ILE HB A 81 VAL HA 1.0 . 4.26 60 60 A 12 ILE HG2% A 30 TRP HE3 1.0 . 3.45 61 61 A 12 ILE HG2% A 30 TRP HZ3 1.0 . 3.72 62 62 A 12 ILE HG2% A 12 ILE HA 1.0 . 3.72 63 63 A 81 VAL HA A 12 ILE HG2% 1.0 . 4.12 64 64 A 12 ILE HG2% A 13 TYR HA 1.0 . 4.03 65 65 A 30 TRP HBy A 12 ILE HG2% 1.0 . 5.05 66 66 A 12 ILE HG2% A 79 TYR HBy 1.0 . 5.50 67 67 A 12 ILE HG2% A 12 ILE HG1x 1.0 . 3.79 68 68 A 12 ILE HD1% A 69 ILE H 1.0 . 4.00 69 69 A 79 TYR HD% A 12 ILE HD1% 1.0 . 3.61 70 70 A 79 TYR HE% A 12 ILE HD1% 1.0 . 4.15 71 71 A 12 ILE HD1% A 12 ILE HA 1.0 . 4.28 72 72 A 12 ILE HD1% A 81 VAL HA 1.0 . 4.44 73 73 A 12 ILE HD1% A 69 ILE HA 1.0 . 3.32 74 74 A 12 ILE HB A 12 ILE HD1% 1.0 . 3.43 75 75 A 12 ILE HD1% A 68 ALA HA 1.0 . 4.51 76 76 A 12 ILE HD1% A 69 ILE HG1x 1.0 . 3.54 77 77 A 12 ILE HD1% A 12 ILE HG2% 1.0 . 2.85 78 78 A 12 ILE HD1% A 69 ILE HD1% 1.0 . 3.22 79 79 A 69 ILE HG1y A 69 ILE HA 1.0 . 3.90 80 80 A 69 ILE HG1x A 69 ILE HA 1.0 . 3.49 81 81 A 69 ILE HB A 70 ALA H 1.0 . 4.24 82 82 A 79 TYR HE% A 69 ILE HD1% 1.0 . 4.01 83 83 A 79 TYR HD% A 69 ILE HD1% 1.0 . 4.26 84 84 A 69 ILE HA A 69 ILE HD1% 1.0 . 3.83 85 85 A 69 ILE HD1% A 65 ARG HA 1.0 . 4.24 86 86 A 68 ALA HA A 69 ILE HD1% 1.0 . 5.08 87 87 A 12 ILE HB A 69 ILE HD1% 1.0 . 4.72 88 88 A 69 ILE HD1% A 69 ILE HB 1.0 . 3.12 89 89 A 12 ILE HG2% A 69 ILE HD1% 1.0 . 3.26 90 90 A 69 ILE HG2% A 69 ILE HG1y 1.0 . 3.50 91 91 A 69 ILE HG2% A 73 VAL HB 1.0 . 4.21 92 92 A 69 ILE HG2% A 69 ILE HA 1.0 . 3.40 93 93 A 69 ILE HG2% A 66 GLU HA 1.0 . 4.71 94 94 A 69 ILE HG2% A 70 ALA HA 1.0 . 3.92 95 95 A 79 TYR HE% A 69 ILE HG2% 1.0 . 3.85 96 96 A 69 ILE HG2% A 69 ILE H 1.0 . 4.10 97 97 A 89 ILE HA A 89 ILE HG2% 1.0 . 3.38 98 98 A 77 ILE HB A 10 ALA H 1.0 . 4.63 99 99 A 77 ILE HB A 77 ILE HD1% 1.0 . 3.21 100 100 A 77 ILE HD1% A 75 HIS HBx 1.0 . 4.49 101 101 A 72 ALA HA A 77 ILE HD1% 1.0 . 3.68 102 102 A 77 ILE HD1% A 77 ILE HA 1.0 . 4.44 103 103 A 77 ILE HD1% A 9 ARG H 1.0 . 5.50 104 104 A 10 ALA H A 77 ILE HD1% 1.0 . 5.50 105 105 A 89 ILE HB A 89 ILE HD1% 1.0 . 4.05 106 106 A 42 THR HA A 42 THR HG2% 1.0 . 3.31 107 107 A 28 LYS HA A 63 THR HA 1.0 . 3.42 108 108 A 63 THR H A 63 THR HG2% 1.0 . 3.89 109 109 A 63 THR HG2% A 29 ALA H 1.0 . 4.49 110 110 A 63 THR HA A 63 THR HG2% 1.0 . 3.19 111 111 A 81 VAL H A 80 THR HG2% 1.0 . 4.10 112 112 A 80 THR HG2% A 11 ARG HA 1.0 . 4.15 113 113 A 79 TYR HA A 80 THR HG2% 1.0 . 4.52 114 114 A 80 THR HG2% A 80 THR HA 1.0 . 3.39 115 115 A 79 TYR HBy A 80 THR HG2% 1.0 . 4.74 116 116 A 12 ILE HB A 80 THR HG2% 1.0 . 4.23 117 117 A 9 ARG H A 9 ARG HBx 1.0 . 3.98 118 118 A 28 LYS HA A 63 THR HG2% 1.0 . 3.56 119 119 A 60 LEU H A 59 CYS HBx 1.0 . 4.35 120 120 A 59 CYS H A 59 CYS HBy 1.0 . 4.10 121 121 A 66 GLU H A 65 ARG HDy 1.0 . 4.54 122 122 A 68 ALA HB% A 65 ARG HA 1.0 . 3.78 123 123 A 69 ILE HD1% A 66 GLU HA 1.0 . 3.64 124 124 A 69 ILE HB A 66 GLU HA 1.0 . 3.60 125 125 A 65 ARG HA A 66 GLU HA 1.0 . 5.09 126 126 A 74 ALA HB% A 71 TYR HA 1.0 . 3.75 127 127 A 77 ILE HD1% A 75 HIS HBy 1.0 . 4.49 128 128 A 79 TYR H A 78 ASP HBy 1.0 . 4.73 129 129 A 79 TYR H A 78 ASP HBx 1.0 . 4.73 130 130 A 78 ASP H A 78 ASP HBy 1.0 . 3.87 131 131 A 84 ASP H A 84 ASP HBy 1.0 . 4.17 132 132 A 84 ASP H A 84 ASP HBx 1.0 . 4.17 133 133 A 10 ALA HB% A 72 ALA HB% 1.0 . 3.54 134 134 A 10 ALA HB% A 79 TYR HBy 1.0 . 4.46 135 135 A 10 ALA H A 77 ILE HG2% 1.0 . 3.69 136 136 A 77 ILE HG2% A 9 ARG HA 1.0 . 4.00 137 137 A 77 ILE HA A 77 ILE HG2% 1.0 . 3.56 138 138 A 72 ALA HA A 77 ILE HG2% 1.0 . 4.12 139 139 A 79 TYR HBx A 77 ILE HG2% 1.0 . 4.18 140 140 A 72 ALA HB% A 77 ILE HG2% 1.0 . 3.70 141 141 A 10 ALA HB% A 77 ILE HG2% 1.0 . 2.94 142 142 A 62 PHE HE% A 60 LEU HD1% 1.0 . 4.94 143 143 A 32 LEU HG A 62 PHE HE% 1.0 . 4.65 144 144 A 60 LEU H A 60 LEU HD1% 1.0 . 4.58 145 145 A 60 LEU H A 32 LEU HD11 1.0 . 4.51 146 146 A 32 LEU HD11 A 32 LEU H 1.0 . 4.61 147 147 A 71 TYR HD% A 60 LEU HD1% 1.0 . 5.30 148 148 A 34 PHE HD% A 32 LEU HD11 1.0 . 3.61 149 149 A 62 PHE HD% A 32 LEU HD11 1.0 . 4.18 150 150 A 62 PHE HD% A 60 LEU HD1% 1.0 . 4.67 151 151 A 32 LEU HD11 A 62 PHE HZ 1.0 . 4.53 152 152 A 62 PHE HE% A 32 LEU HD11 1.0 . 4.47 153 153 A 32 LEU HD11 A 10 ALA HA 1.0 . 4.60 154 154 A 32 LEU HA A 32 LEU HD11 1.0 . 4.78 155 155 A 60 LEU HA A 60 LEU HD1% 1.0 . 4.17 156 156 A 32 LEU HBx A 32 LEU HD11 1.0 . 3.75 157 157 A 32 LEU HD11 A 60 LEU HG 1.0 . 4.53 158 158 A 60 LEU HD1% A 60 LEU HBy 1.0 . 3.56 159 159 A 32 LEU HBy A 32 LEU HD11 1.0 . 3.27 160 160 A 60 LEU HD1% A 60 LEU HBx 1.0 . 3.56 161 161 A 10 ALA HB% A 32 LEU HD11 1.0 . 3.41 162 162 A 12 ILE HG2% A 30 TRP HBx 1.0 . 4.37 163 163 A 79 TYR HBx A 12 ILE HD1% 1.0 . 3.82 164 164 A 16 ALA H A 16 ALA HB% 1.0 . 3.28 165 165 A 16 ALA HB% A 17 LYS H 1.0 . 3.94 166 166 A 94 TYR H A 95 ALA HA 1.0 . 4.49 167 167 A 32 LEU HG A 71 TYR HD% 1.0 . 3.97 168 168 A 60 LEU HA A 60 LEU HD2% 1.0 . 4.17 169 169 A 60 LEU H A 60 LEU HD2% 1.0 . 4.58 170 170 A 62 PHE HD% A 60 LEU HD2% 1.0 . 4.67 171 171 A 60 LEU HBx A 60 LEU HD2% 1.0 . 3.56 172 172 A 60 LEU HBy A 60 LEU HD2% 1.0 . 3.56 173 173 A 62 PHE HE% A 60 LEU HD2% 1.0 . 4.94 174 174 A 71 TYR HD% A 60 LEU HD2% 1.0 . 5.30 175 175 A 79 TYR HD% A 69 ILE HG2% 1.0 . 4.65 176 176 A 72 ALA HB% A 77 ILE HD1% 1.0 . 3.49 177 177 A 82 LEU H A 82 LEU HD2% 1.0 . 4.39 178 178 A 27 LEU HA A 27 LEU HG 1.0 . 4.11 179 179 A 60 LEU HA A 60 LEU HG 1.0 . 4.27 180 180 A 60 LEU HG A 61 SER H 1.0 . 4.61 181 181 A 67 LEU HG A 67 LEU H 1.0 . 4.58 182 182 A 27 LEU HG A 27 LEU H 1.0 . 4.10 183 183 A 27 LEU HG A 28 LYS H 1.0 . 5.20 184 184 A 45 LEU H A 45 LEU HG 1.0 . 5.42 185 185 A 61 SER H A 60 LEU HD1% 1.0 . 4.60 186 186 A 73 VAL HA A 73 VAL HG1% 1.0 . 3.07 187 187 A 5 VAL H A 5 VAL HG1% 1.0 . 4.07 188 188 A 73 VAL HG2% A 69 ILE HA 1.0 . 4.39 189 189 A 82 LEU HA A 82 LEU HG 1.0 . 4.14 190 190 A 82 LEU H A 82 LEU HG 1.0 . 4.38 191 191 A 89 ILE HG2% A 90 VAL H 1.0 . 4.04 192 192 A 67 LEU HBx A 67 LEU HD1% 1.0 . 3.47 193 193 A 67 LEU HA A 67 LEU HD1% 1.0 . 4.05 194 194 A 62 PHE HD% A 67 LEU HD1% 1.0 . 3.96 195 195 A 67 LEU HBx A 67 LEU HD2% 1.0 . 3.47 196 196 A 67 LEU HA A 67 LEU HD2% 1.0 . 4.05 197 197 A 62 PHE HD% A 67 LEU HD2% 1.0 . 3.96 198 198 A 67 LEU H A 67 LEU HD2% 1.0 . 4.16 199 199 A 45 LEU H A 45 LEU HD2% 1.0 . 4.82 200 200 A 64 THR H A 64 THR HG2% 1.0 . 3.57 201 201 A 64 THR HG2% A 65 ARG H 1.0 . 3.96 202 202 A 64 THR HG2% A 63 THR HB 1.0 . 3.51 203 203 A 64 THR HG2% A 64 THR HA 1.0 . 3.10 204 204 A 63 THR HG2% A 64 THR HG2% 1.0 . 3.22 205 205 A 64 THR HG2% A 30 TRP HE1 1.0 . 4.48 206 206 A 65 ARG H A 30 TRP HE1 1.0 . 4.10 207 207 A 64 THR H A 67 LEU HD1% 1.0 . 4.86 208 208 A 63 THR HG2% A 64 THR H 1.0 . 4.11 209 209 A 64 THR H A 67 LEU HBy 1.0 . 3.84 210 210 A 67 LEU HBx A 64 THR H 1.0 . 4.05 211 211 A 64 THR H A 62 PHE HBx 1.0 . 4.53 212 212 A 62 PHE HBy A 64 THR H 1.0 . 3.83 213 213 A 64 THR H A 64 THR HB 1.0 . 3.90 214 214 A 64 THR H A 65 ARG H 1.0 . 4.54 215 215 A 63 THR H A 64 THR H 1.0 . 4.49 216 216 A 69 ILE HD1% A 68 ALA H 1.0 . 4.37 217 217 A 68 ALA HB% A 68 ALA H 1.0 . 3.02 218 218 A 70 ALA HB% A 68 ALA H 1.0 . 4.49 219 219 A 67 LEU HBy A 68 ALA H 1.0 . 3.80 220 220 A 67 LEU HBx A 68 ALA H 1.0 . 3.95 221 221 A 66 GLU HA A 68 ALA H 1.0 . 4.59 222 222 A 69 ILE H A 68 ALA H 1.0 . 3.26 223 223 A 45 LEU H A 45 LEU HD1% 1.0 . 4.82 224 224 A 5 VAL H A 5 VAL HG2% 1.0 . 4.07 225 225 A 5 VAL H A 4 GLN HA 1.0 . 2.75 226 226 A 6 SER H A 5 VAL HG1% 1.0 . 4.70 227 227 A 6 SER H A 5 VAL HG2% 1.0 . 4.70 228 228 A 5 VAL HB A 6 SER H 1.0 . 4.51 229 229 A 5 VAL HA A 6 SER H 1.0 . 3.12 230 230 A 8 VAL HG2% A 8 VAL H 1.0 . 3.04 231 231 A 8 VAL H A 8 VAL HB 1.0 . 3.80 232 232 A 8 VAL H A 7 ASN HBx 1.0 . 4.11 233 233 A 8 VAL H A 7 ASN HBy 1.0 . 4.11 234 234 A 9 ARG H A 35 GLU H 1.0 . 3.96 235 235 A 8 VAL HA A 9 ARG H 1.0 . 2.90 236 236 A 9 ARG H A 8 VAL HB 1.0 . 3.83 237 237 A 9 ARG H A 9 ARG HBy 1.0 . 3.98 238 238 A 8 VAL HG2% A 9 ARG H 1.0 . 3.50 239 239 A 10 ALA HB% A 10 ALA H 1.0 . 3.49 240 240 A 10 ALA H A 9 ARG HA 1.0 . 3.14 241 241 A 79 TYR HA A 10 ALA H 1.0 . 3.82 242 242 A 11 ARG H A 10 ALA H 1.0 . 4.55 243 243 A 34 PHE H A 11 ARG H 1.0 . 4.73 244 244 A 11 ARG H A 35 GLU H 1.0 . 5.20 245 245 A 11 ARG H A 10 ALA HA 1.0 . 3.18 246 246 A 34 PHE HA A 11 ARG H 1.0 . 4.06 247 247 A 10 ALA HB% A 11 ARG H 1.0 . 3.46 248 248 A 11 ARG H A 77 ILE HG2% 1.0 . 5.50 249 249 A 11 ARG H A 80 THR HG2% 1.0 . 4.56 250 250 A 11 ARG HA A 12 ILE H 1.0 . 3.21 251 251 A 81 VAL HA A 12 ILE H 1.0 . 3.92 252 252 A 12 ILE HB A 12 ILE H 1.0 . 3.35 253 253 A 10 ALA HB% A 12 ILE H 1.0 . 4.30 254 254 A 12 ILE H A 12 ILE HG1y 1.0 . 4.13 255 255 A 80 THR HG2% A 12 ILE H 1.0 . 4.44 256 256 A 12 ILE HD1% A 12 ILE H 1.0 . 4.35 257 257 A 30 TRP HZ3 A 13 TYR H 1.0 . 5.17 258 258 A 13 TYR H A 13 TYR HD% 1.0 . 4.35 259 259 A 12 ILE HA A 13 TYR H 1.0 . 3.15 260 260 A 12 ILE HG1x A 13 TYR H 1.0 . 4.59 261 261 A 12 ILE HG2% A 13 TYR H 1.0 . 3.50 262 262 A 12 ILE HD1% A 13 TYR H 1.0 . 5.41 263 263 A 12 ILE HG1y A 13 TYR H 1.0 . 5.19 264 264 A 14 LYS H A 82 LEU HBx 1.0 . 4.93 265 265 A 14 LYS H A 13 TYR HBx 1.0 . 4.26 266 266 A 14 LYS H A 13 TYR HBy 1.0 . 4.26 267 267 A 13 TYR HA A 14 LYS H 1.0 . 3.24 268 268 A 13 TYR HD% A 14 LYS H 1.0 . 3.92 269 269 A 30 TRP HZ3 A 14 LYS H 1.0 . 4.39 270 270 A 16 ALA H A 15 PRO HA 1.0 . 3.49 271 271 A 25 SER HA A 26 LYS H 1.0 . 3.25 272 272 A 27 LEU H A 26 LYS HA 1.0 . 3.38 273 273 A 27 LEU H A 27 LEU HD1% 1.0 . 4.94 274 274 A 27 LEU H A 27 LEU HD2% 1.0 . 4.94 275 275 A 63 THR HG2% A 28 LYS H 1.0 . 4.67 276 276 A 30 TRP H A 29 ALA H 1.0 . 3.49 277 277 A 30 TRP HD1 A 29 ALA H 1.0 . 4.62 278 278 A 63 THR HA A 29 ALA H 1.0 . 3.66 279 279 A 28 LYS HA A 29 ALA H 1.0 . 3.04 280 280 A 29 ALA HB% A 29 ALA H 1.0 . 2.95 281 281 A 31 LYS H A 31 LYS HBx 1.0 . 4.00 282 282 A 31 LYS H A 31 LYS HBy 1.0 . 4.00 283 283 A 30 TRP HBy A 31 LYS H 1.0 . 4.16 284 284 A 30 TRP HBx A 31 LYS H 1.0 . 4.20 285 285 A 31 LYS H A 30 TRP HA 1.0 . 3.21 286 286 A 60 LEU H A 32 LEU H 1.0 . 3.89 287 287 A 62 PHE HD% A 32 LEU H 1.0 . 4.26 288 288 A 32 LEU H A 61 SER HA 1.0 . 4.36 289 289 A 32 LEU H A 31 LYS HA 1.0 . 3.25 290 290 A 32 LEU H A 31 LYS HBy 1.0 . 4.23 291 291 A 32 LEU H A 31 LYS HBx 1.0 . 4.23 292 292 A 32 LEU HG A 32 LEU H 1.0 . 5.43 293 293 A 32 LEU HD11 A 33 GLU H 1.0 . 4.39 294 294 A 12 ILE HG1y A 33 GLU H 1.0 . 4.67 295 295 A 10 ALA HB% A 33 GLU H 1.0 . 4.65 296 296 A 32 LEU HA A 33 GLU H 1.0 . 3.17 297 297 A 12 ILE HA A 33 GLU H 1.0 . 4.26 298 298 A 11 ARG H A 33 GLU H 1.0 . 3.83 299 299 A 34 PHE H A 33 GLU H 1.0 . 4.52 300 300 A 34 PHE HD% A 34 PHE H 1.0 . 3.85 301 301 A 34 PHE H A 33 GLU HA 1.0 . 3.19 302 302 A 34 PHE H A 34 PHE HBx 1.0 . 3.98 303 303 A 34 PHE H A 34 PHE HBy 1.0 . 3.98 304 304 A 10 ALA HB% A 35 GLU H 1.0 . 5.04 305 305 A 8 VAL HB A 35 GLU H 1.0 . 3.77 306 306 A 35 GLU H A 34 PHE HBx 1.0 . 4.19 307 307 A 35 GLU H A 34 PHE HBy 1.0 . 4.19 308 308 A 34 PHE HA A 35 GLU H 1.0 . 3.18 309 309 A 34 PHE HD% A 35 GLU H 1.0 . 4.68 310 310 A 36 PRO HA A 37 SER H 1.0 . 3.34 311 311 A 37 SER H A 36 PRO HBx 1.0 . 4.41 312 312 A 37 SER H A 36 PRO HBy 1.0 . 4.41 313 313 A 41 TYR H A 41 TYR HBx 1.0 . 3.84 314 314 A 41 TYR H A 41 TYR HBy 1.0 . 3.84 315 315 A 41 TYR H A 41 TYR HD% 1.0 . 4.19 316 316 A 41 TYR H A 42 THR H 1.0 . 5.09 317 317 A 42 THR H A 43 GLU H 1.0 . 5.43 318 318 A 42 THR H A 41 TYR HA 1.0 . 3.26 319 319 A 42 THR HG2% A 42 THR H 1.0 . 3.99 320 320 A 42 THR HG2% A 43 GLU H 1.0 . 4.05 321 321 A 42 THR HA A 43 GLU H 1.0 . 3.12 322 322 A 94 TYR HA A 95 ALA H 1.0 . 3.29 323 323 A 3 GLU HA A 4 GLN H 1.0 . 2.74 324 324 A 45 LEU HG A 46 MET H 1.0 . 4.26 325 325 A 45 LEU HA A 46 MET H 1.0 . 3.57 326 326 A 56 GLN HA A 57 GLN H 1.0 . 3.00 327 327 A 58 VAL HB A 58 VAL H 1.0 . 3.89 328 328 A 59 CYS H A 59 CYS HBx 1.0 . 4.10 329 329 A 60 LEU H A 59 CYS HA 1.0 . 3.20 330 330 A 60 LEU H A 59 CYS HBy 1.0 . 4.35 331 331 A 32 LEU HBx A 60 LEU H 1.0 . 4.42 332 332 A 60 LEU H A 60 LEU HBy 1.0 . 4.06 333 333 A 60 LEU H A 60 LEU HG 1.0 . 4.17 334 334 A 60 LEU H A 60 LEU HBx 1.0 . 4.06 335 335 A 61 SER H A 60 LEU HD2% 1.0 . 4.60 336 336 A 61 SER H A 61 SER HBx 1.0 . 4.05 337 337 A 61 SER H A 61 SER HBy 1.0 . 4.05 338 338 A 60 LEU HA A 61 SER H 1.0 . 3.05 339 339 A 60 LEU H A 61 SER H 1.0 . 4.55 340 340 A 61 SER H A 62 PHE H 1.0 . 4.58 341 341 A 62 PHE HD% A 62 PHE H 1.0 . 3.86 342 342 A 61 SER HA A 62 PHE H 1.0 . 3.28 343 343 A 62 PHE H A 61 SER HBx 1.0 . 4.18 344 344 A 62 PHE H A 61 SER HBy 1.0 . 4.18 345 345 A 62 PHE HBx A 62 PHE H 1.0 . 4.02 346 346 A 64 THR H A 67 LEU HD2% 1.0 . 4.86 347 347 A 64 THR H A 63 THR HB 1.0 . 4.29 348 348 A 30 TRP HD1 A 65 ARG H 1.0 . 4.17 349 349 A 65 ARG H A 64 THR HA 1.0 . 3.34 350 350 A 65 ARG H A 65 ARG HGy 1.0 . 4.65 351 351 A 65 ARG H A 65 ARG HBy 1.0 . 3.71 352 352 A 65 ARG H A 65 ARG HGx 1.0 . 4.65 353 353 A 65 ARG H A 65 ARG HBx 1.0 . 3.71 354 354 A 66 GLU H A 65 ARG HBx 1.0 . 4.21 355 355 A 66 GLU H A 65 ARG HBy 1.0 . 4.21 356 356 A 66 GLU H A 65 ARG HGx 1.0 . 4.82 357 357 A 69 ILE HD1% A 66 GLU H 1.0 . 4.83 358 358 A 66 GLU H A 65 ARG HGy 1.0 . 4.82 359 359 A 66 GLU H A 66 GLU HBx 1.0 . 3.60 360 360 A 66 GLU H A 66 GLU HBy 1.0 . 3.60 361 361 A 66 GLU H A 67 LEU HBy 1.0 . 4.71 362 362 A 66 GLU H A 64 THR HG2% 1.0 . 4.48 363 363 A 66 GLU H A 64 THR HB 1.0 . 3.49 364 364 A 66 GLU H A 65 ARG H 1.0 . 3.66 365 365 A 66 GLU H A 67 LEU H 1.0 . 3.72 366 366 A 66 GLU H A 68 ALA H 1.0 . 4.53 367 367 A 66 GLU H A 64 THR H 1.0 . 5.50 368 368 A 67 LEU H A 64 THR H 1.0 . 4.17 369 369 A 67 LEU H A 64 THR HB 1.0 . 4.42 370 370 A 65 ARG HA A 67 LEU H 1.0 . 4.69 371 371 A 67 LEU HBx A 67 LEU H 1.0 . 4.01 372 372 A 67 LEU H A 67 LEU HBy 1.0 . 3.41 373 373 A 70 ALA HB% A 67 LEU H 1.0 . 4.70 374 374 A 67 LEU H A 64 THR HG2% 1.0 . 4.84 375 375 A 67 LEU H A 67 LEU HD1% 1.0 . 4.16 376 376 A 68 ALA HB% A 67 LEU H 1.0 . 4.86 377 377 A 12 ILE HD1% A 68 ALA H 1.0 . 5.09 378 378 A 69 ILE H A 66 GLU HA 1.0 . 4.32 379 379 A 69 ILE H A 69 ILE HB 1.0 . 3.26 380 380 A 69 ILE HG1x A 69 ILE H 1.0 . 3.65 381 381 A 68 ALA HB% A 69 ILE H 1.0 . 3.50 382 382 A 69 ILE H A 69 ILE HD1% 1.0 . 3.56 383 383 A 69 ILE HG1y A 69 ILE H 1.0 . 3.97 384 384 A 69 ILE HG1y A 70 ALA H 1.0 . 5.26 385 385 A 69 ILE HG2% A 70 ALA H 1.0 . 3.71 386 386 A 68 ALA HB% A 70 ALA H 1.0 . 4.49 387 387 A 73 VAL HG2% A 70 ALA H 1.0 . 4.68 388 388 A 70 ALA HB% A 70 ALA H 1.0 . 2.83 389 389 A 73 VAL HB A 70 ALA H 1.0 . 5.27 390 390 A 70 ALA H A 66 GLU HA 1.0 . 4.27 391 391 A 73 VAL H A 70 ALA H 1.0 . 5.02 392 392 A 73 VAL H A 71 TYR H 1.0 . 4.66 393 393 A 71 TYR H A 71 TYR HBx 1.0 . 3.37 394 394 A 71 TYR H A 71 TYR HBy 1.0 . 3.37 395 395 A 68 ALA HA A 71 TYR H 1.0 . 4.10 396 396 A 70 ALA HB% A 71 TYR H 1.0 . 3.31 397 397 A 68 ALA HB% A 71 TYR H 1.0 . 4.84 398 398 A 32 LEU HG A 72 ALA H 1.0 . 5.12 399 399 A 68 ALA HB% A 72 ALA H 1.0 . 5.50 400 400 A 77 ILE HD1% A 72 ALA H 1.0 . 5.50 401 401 A 73 VAL HG2% A 72 ALA H 1.0 . 4.26 402 402 A 72 ALA HB% A 72 ALA H 1.0 . 3.16 403 403 A 77 ILE HB A 72 ALA H 1.0 . 4.92 404 404 A 69 ILE HA A 72 ALA H 1.0 . 4.12 405 405 A 79 TYR HD% A 72 ALA H 1.0 . 4.97 406 406 A 71 TYR H A 72 ALA H 1.0 . 3.48 407 407 A 73 VAL H A 74 ALA H 1.0 . 3.37 408 408 A 73 VAL H A 73 VAL HB 1.0 . 3.18 409 409 A 73 VAL H A 72 ALA HB% 1.0 . 3.32 410 410 A 73 VAL H A 73 VAL HG1% 1.0 . 3.99 411 411 A 73 VAL H A 69 ILE HG2% 1.0 . 4.23 412 412 A 73 VAL H A 12 ILE HD1% 1.0 . 5.50 413 413 A 74 ALA H A 73 VAL HG1% 1.0 . 3.63 414 414 A 74 ALA H A 73 VAL HB 1.0 . 3.44 415 415 A 74 ALA H A 70 ALA HA 1.0 . 4.26 416 416 A 75 HIS H A 77 ILE H 1.0 . 4.11 417 417 A 75 HIS H A 76 LYS H 1.0 . 3.12 418 418 A 74 ALA H A 75 HIS H 1.0 . 3.39 419 419 A 75 HIS H A 75 HIS HBy 1.0 . 3.88 420 420 A 75 HIS H A 75 HIS HBx 1.0 . 3.88 421 421 A 77 ILE HB A 75 HIS H 1.0 . 4.60 422 422 A 74 ALA HB% A 75 HIS H 1.0 . 3.40 423 423 A 73 VAL HG1% A 75 HIS H 1.0 . 4.75 424 424 A 73 VAL HG1% A 76 LYS H 1.0 . 4.05 425 425 A 76 LYS H A 76 LYS HA 1.0 . 2.93 426 426 A 77 ILE H A 76 LYS H 1.0 . 3.47 427 427 A 77 ILE H A 76 LYS HA 1.0 . 3.35 428 428 A 77 ILE HB A 77 ILE H 1.0 . 3.16 429 429 A 72 ALA HB% A 77 ILE H 1.0 . 3.77 430 430 A 78 ASP H A 77 ILE HG2% 1.0 . 3.61 431 431 A 78 ASP H A 77 ILE HB 1.0 . 4.13 432 432 A 78 ASP H A 78 ASP HBx 1.0 . 3.87 433 433 A 78 ASP H A 77 ILE HA 1.0 . 3.09 434 434 A 79 TYR HD% A 79 TYR H 1.0 . 3.31 435 435 A 79 TYR HE% A 79 TYR H 1.0 . 4.11 436 436 A 79 TYR H A 78 ASP HA 1.0 . 2.86 437 437 A 79 TYR HBx A 79 TYR H 1.0 . 4.01 438 438 A 79 TYR HBy A 79 TYR H 1.0 . 3.78 439 439 A 10 ALA HB% A 79 TYR H 1.0 . 4.19 440 440 A 72 ALA HB% A 79 TYR H 1.0 . 4.34 441 441 A 79 TYR H A 77 ILE HG2% 1.0 . 4.55 442 442 A 12 ILE HD1% A 79 TYR H 1.0 . 5.33 443 443 A 12 ILE HD1% A 80 THR H 1.0 . 4.59 444 444 A 10 ALA HB% A 80 THR H 1.0 . 4.09 445 445 A 80 THR HG2% A 80 THR H 1.0 . 3.85 446 446 A 12 ILE HB A 80 THR H 1.0 . 4.35 447 447 A 79 TYR HBx A 80 THR H 1.0 . 4.30 448 448 A 79 TYR HBy A 80 THR H 1.0 . 3.87 449 449 A 80 THR H A 80 THR HB 1.0 . 4.14 450 450 A 11 ARG HA A 80 THR H 1.0 . 3.83 451 451 A 79 TYR HA A 80 THR H 1.0 . 3.32 452 452 A 79 TYR HD% A 80 THR H 1.0 . 4.44 453 453 A 10 ALA H A 80 THR H 1.0 . 4.45 454 454 A 81 VAL H A 80 THR H 1.0 . 4.49 455 455 A 81 VAL H A 80 THR HA 1.0 . 2.97 456 456 A 81 VAL H A 80 THR HB 1.0 . 4.27 457 457 A 81 VAL H A 12 ILE HB 1.0 . 4.62 458 458 A 82 LEU H A 82 LEU HD1% 1.0 . 4.39 459 459 A 12 ILE HB A 82 LEU H 1.0 . 4.43 460 460 A 81 VAL HB A 82 LEU H 1.0 . 4.47 461 461 A 81 VAL HA A 82 LEU H 1.0 . 3.19 462 462 A 82 LEU H A 14 LYS H 1.0 . 4.52 463 463 A 82 LEU H A 83 GLN H 1.0 . 4.57 464 464 A 82 LEU HA A 83 GLN H 1.0 . 3.10 465 465 A 86 PRO HA A 87 ARG H 1.0 . 3.15 466 466 A 89 ILE H A 89 ILE HG1x 1.0 . 4.17 467 467 A 89 ILE HG2% A 89 ILE H 1.0 . 4.40 468 468 A 89 ILE HD1% A 89 ILE H 1.0 . 4.87 469 469 A 89 ILE HB A 89 ILE H 1.0 . 4.01 470 470 A 89 ILE H A 89 ILE HG1y 1.0 . 4.17 471 471 A 89 ILE H A 88 THR HA 1.0 . 3.09 472 472 A 89 ILE HA A 90 VAL H 1.0 . 2.72 473 473 A 89 ILE HB A 90 VAL H 1.0 . 3.97 474 474 A 95 ALA H A 95 ALA HB% 1.0 . 3.66 475 475 A 95 ALA HB% A 96 ASP H 1.0 . 4.07 476 476 A 99 THR HA A 100 LYS H 1.0 . 3.33 477 477 A 67 LEU H A 68 ALA H 1.0 . 3.38 478 478 A 67 LEU HA A 70 ALA H 1.0 . 4.11 479 479 A 70 ALA H A 71 TYR H 1.0 . 3.27 480 480 A 73 VAL H A 72 ALA H 1.0 . 3.62 481 481 A 74 ALA H A 71 TYR HA 1.0 . 4.05 482 482 A 72 ALA HA A 75 HIS H 1.0 . 3.90 483 483 A 13 TYR HA A 82 LEU H 1.0 . 3.78 484 484 A 78 ASP H A 10 ALA H 1.0 . 4.37 485 485 A 30 TRP HBy A 30 TRP HE1 1.0 . 4.86 486 486 A 57 GLN HE2y A 57 GLN HBy 1.0 . 4.67 487 487 A 57 GLN HE2y A 57 GLN HBx 1.0 . 4.67 488 488 A 57 GLN HE2x A 57 GLN HBx 1.0 . 4.67 489 489 A 57 GLN HE2x A 57 GLN HBy 1.0 . 4.67 490 490 A 55 LYS HA A 56 GLN H 1.0 . 2.82 491 491 A 5 VAL H A 6 SER H 1.0 . 4.40 492 492 A 12 ILE H A 80 THR H 1.0 . 4.61 493 493 A 13 TYR H A 14 LYS H 1.0 . 4.53 494 494 A 12 ILE HB A 13 TYR H 1.0 . 4.25 495 495 A 14 LYS H A 82 LEU HBy 1.0 . 4.93 496 496 A 28 LYS H A 27 LEU HD1% 1.0 . 5.50 497 497 A 28 LYS H A 27 LEU HD2% 1.0 . 5.50 498 498 A 29 ALA HB% A 30 TRP HE1 1.0 . 4.08 499 499 A 30 TRP H A 30 TRP HE1 1.0 . 5.50 500 500 A 30 TRP HZ3 A 31 LYS H 1.0 . 5.50 501 501 A 30 TRP HE3 A 31 LYS H 1.0 . 4.80 502 502 A 32 LEU HBx A 32 LEU H 1.0 . 3.99 503 503 A 32 LEU H A 33 GLU H 1.0 . 4.98 504 504 A 32 LEU H A 62 PHE H 1.0 . 5.26 505 505 A 11 ARG HA A 33 GLU H 1.0 . 4.69 506 506 A 32 LEU HG A 33 GLU H 1.0 . 4.61 507 507 A 10 ALA HA A 35 GLU H 1.0 . 3.87 508 508 A 60 LEU H A 61 SER HA 1.0 . 5.06 509 509 A 32 LEU HBy A 62 PHE H 1.0 . 5.16 510 510 A 65 ARG H A 64 THR HB 1.0 . 3.47 511 511 A 66 GLU H A 65 ARG HDx 1.0 . 4.54 512 512 A 69 ILE HB A 66 GLU H 1.0 . 5.50 513 513 A 68 ALA HA A 67 LEU H 1.0 . 5.41 514 514 A 62 PHE HBy A 67 LEU H 1.0 . 4.61 515 515 A 62 PHE HBy A 68 ALA H 1.0 . 4.59 516 516 A 62 PHE HBx A 68 ALA H 1.0 . 4.39 517 517 A 70 ALA HA A 69 ILE H 1.0 . 5.48 518 518 A 67 LEU HBx A 70 ALA H 1.0 . 5.50 519 519 A 69 ILE HA A 71 TYR H 1.0 . 4.31 520 520 A 68 ALA HA A 72 ALA H 1.0 . 5.40 521 521 A 73 VAL HB A 72 ALA H 1.0 . 5.50 522 522 A 73 VAL H A 69 ILE HA 1.0 . 4.72 523 523 A 73 VAL H A 75 HIS H 1.0 . 4.54 524 524 A 74 ALA H A 76 LYS H 1.0 . 4.25 525 525 A 77 ILE HD1% A 77 ILE H 1.0 . 3.72 526 526 A 78 ASP H A 77 ILE H 1.0 . 4.75 527 527 A 78 ASP H A 79 TYR H 1.0 . 4.38 528 528 A 10 ALA H A 79 TYR H 1.0 . 4.79 529 529 A 72 ALA HB% A 80 THR H 1.0 . 5.32 530 530 A 12 ILE HG1y A 80 THR H 1.0 . 4.45 531 531 A 79 TYR HD% A 81 VAL H 1.0 . 4.57 532 532 A 87 ARG H A 86 PRO HBx 1.0 . 4.56 533 533 A 87 ARG H A 86 PRO HBy 1.0 . 4.56 534 534 A 5 VAL H A 4 GLN HBy 1.0 . 3.85 535 534 A 5 VAL H A 4 GLN HBx 1.0 . 3.85 536 535 A 5 VAL H A 5 VAL HG2% 1.0 . 3.05 537 535 A 5 VAL H A 5 VAL HG1% 1.0 . 3.05 538 536 A 6 SER H A 5 VAL HG2% 1.0 . 3.86 539 536 A 6 SER H A 5 VAL HG1% 1.0 . 3.86 540 537 A 5 VAL HG2% A 6 SER HBx 1.0 . 4.30 541 537 A 5 VAL HG1% A 6 SER HBx 1.0 . 4.30 542 537 A 6 SER HBy A 5 VAL HG2% 1.0 . 4.30 543 537 A 5 VAL HG1% A 6 SER HBy 1.0 . 4.30 544 538 A 6 SER H A 6 SER HBx 1.0 . 3.43 545 538 A 6 SER H A 6 SER HBy 1.0 . 3.43 546 539 A 7 ASN HBx A 7 ASN HD2x 1.0 . 3.09 547 539 A 7 ASN HBy A 7 ASN HD2x 1.0 . 3.09 548 539 A 7 ASN HD2y A 7 ASN HBy 1.0 . 3.09 549 539 A 7 ASN HBx A 7 ASN HD2y 1.0 . 3.09 550 540 A 8 VAL H A 7 ASN HBy 1.0 . 3.61 551 540 A 8 VAL H A 7 ASN HBx 1.0 . 3.61 552 541 A 8 VAL HG2% A 34 PHE HBx 1.0 . 4.58 553 541 A 8 VAL HG2% A 34 PHE HBy 1.0 . 4.58 554 542 A 9 ARG H A 9 ARG HDx 1.0 . 4.31 555 542 A 9 ARG H A 9 ARG HDy 1.0 . 4.31 556 543 A 9 ARG HBy A 9 ARG HDx 1.0 . 3.28 557 543 A 9 ARG HDy A 9 ARG HBx 1.0 . 3.28 558 543 A 9 ARG HDy A 9 ARG HBy 1.0 . 3.28 559 543 A 9 ARG HBx A 9 ARG HDx 1.0 . 3.28 560 544 A 10 ALA H A 9 ARG HBx 1.0 . 3.84 561 544 A 10 ALA H A 9 ARG HBy 1.0 . 3.84 562 545 A 10 ALA H A 78 ASP HBx 1.0 . 4.06 563 545 A 10 ALA H A 78 ASP HBy 1.0 . 4.06 564 546 A 11 ARG H A 11 ARG HBx 1.0 . 3.69 565 546 A 11 ARG H A 11 ARG HBy 1.0 . 3.69 566 547 A 11 ARG H A 33 GLU HBx 1.0 . 4.06 567 547 A 11 ARG H A 33 GLU HBy 1.0 . 4.06 568 548 A 11 ARG H A 34 PHE HBx 1.0 . 5.34 569 548 A 11 ARG H A 34 PHE HBy 1.0 . 5.34 570 549 A 33 GLU H A 11 ARG HBx 1.0 . 4.11 571 549 A 33 GLU H A 11 ARG HBy 1.0 . 4.11 572 550 A 12 ILE HB A 81 VAL HG11 1.0 . 3.24 573 550 A 12 ILE HB A 81 VAL HG2% 1.0 . 3.24 574 551 A 12 ILE HG2% A 13 TYR HBx 1.0 . 4.81 575 551 A 12 ILE HG2% A 13 TYR HBy 1.0 . 4.81 576 552 A 12 ILE HD1% A 81 VAL HG11 1.0 . 3.08 577 552 A 12 ILE HD1% A 81 VAL HG2% 1.0 . 3.08 578 553 A 13 TYR HBy A 82 LEU HBy 1.0 . 3.80 579 553 A 13 TYR HBx A 82 LEU HBy 1.0 . 3.80 580 553 A 82 LEU HBx A 13 TYR HBx 1.0 . 3.80 581 553 A 13 TYR HBy A 82 LEU HBx 1.0 . 3.80 582 554 A 13 TYR HBx A 82 LEU HD2% 1.0 . 3.81 583 554 A 82 LEU HD1% A 13 TYR HBx 1.0 . 3.81 584 554 A 13 TYR HBy A 82 LEU HD1% 1.0 . 3.81 585 554 A 13 TYR HBy A 82 LEU HD2% 1.0 . 3.81 586 555 A 13 TYR HD% A 82 LEU HD2% 1.0 . 3.90 587 555 A 13 TYR HD% A 82 LEU HD1% 1.0 . 3.90 588 556 A 14 LYS H A 14 LYS HBx 1.0 . 3.37 589 556 A 14 LYS H A 14 LYS HBy 1.0 . 3.37 590 557 A 14 LYS H A 82 LEU HBy 1.0 . 4.27 591 557 A 14 LYS H A 82 LEU HBx 1.0 . 4.27 592 558 A 16 ALA H A 15 PRO HBx 1.0 . 4.05 593 558 A 16 ALA H A 15 PRO HBy 1.0 . 4.05 594 559 A 27 LEU H A 26 LYS HBy 1.0 . 4.20 595 559 A 27 LEU H A 26 LYS HBx 1.0 . 4.20 596 560 A 27 LEU H A 27 LEU HBx 1.0 . 3.58 597 560 A 27 LEU H A 27 LEU HBy 1.0 . 3.58 598 561 A 27 LEU H A 27 LEU HD2% 1.0 . 4.17 599 561 A 27 LEU H A 27 LEU HD1% 1.0 . 4.17 600 562 A 27 LEU HA A 27 LEU HD2% 1.0 . 3.15 601 562 A 27 LEU HA A 27 LEU HD1% 1.0 . 3.15 602 563 A 28 LYS H A 27 LEU HBx 1.0 . 4.17 603 563 A 28 LYS H A 27 LEU HBy 1.0 . 4.17 604 564 A 28 LYS H A 27 LEU HD2% 1.0 . 4.64 605 564 A 28 LYS H A 27 LEU HD1% 1.0 . 4.64 606 565 A 28 LYS H A 28 LYS HBy 1.0 . 3.64 607 565 A 28 LYS H A 28 LYS HBx 1.0 . 3.64 608 566 A 28 LYS HBx A 28 LYS HEx 1.0 . 3.37 609 566 A 28 LYS HBy A 28 LYS HEx 1.0 . 3.37 610 566 A 28 LYS HEy A 28 LYS HBy 1.0 . 3.37 611 566 A 28 LYS HBx A 28 LYS HEy 1.0 . 3.37 612 567 A 29 ALA H A 28 LYS HBy 1.0 . 3.95 613 567 A 29 ALA H A 28 LYS HBx 1.0 . 3.95 614 568 A 30 TRP HE1 A 65 ARG HBy 1.0 . 4.29 615 568 A 30 TRP HE1 A 65 ARG HBx 1.0 . 4.29 616 569 A 31 LYS H A 31 LYS HBy 1.0 . 3.25 617 569 A 31 LYS H A 31 LYS HBx 1.0 . 3.25 618 570 A 32 LEU H A 31 LYS HBy 1.0 . 3.72 619 570 A 32 LEU H A 31 LYS HBx 1.0 . 3.72 620 571 A 32 LEU H A 60 LEU HD2% 1.0 . 5.44 621 571 A 32 LEU H A 60 LEU HD1% 1.0 . 5.44 622 572 A 32 LEU HBx A 60 LEU HD2% 1.0 . 4.17 623 572 A 32 LEU HBx A 60 LEU HD1% 1.0 . 4.17 624 573 A 32 LEU HG A 34 PHE HBx 1.0 . 5.29 625 573 A 32 LEU HG A 34 PHE HBy 1.0 . 5.29 626 574 A 32 LEU HG A 71 TYR HBx 1.0 . 4.81 627 574 A 32 LEU HG A 71 TYR HBy 1.0 . 4.81 628 575 A 32 LEU HD11 A 60 LEU HBy 1.0 . 4.03 629 575 A 32 LEU HD11 A 60 LEU HBx 1.0 . 4.03 630 576 A 32 LEU HD11 A 60 LEU HD2% 1.0 . 3.38 631 576 A 32 LEU HD11 A 60 LEU HD1% 1.0 . 3.38 632 577 A 33 GLU H A 33 GLU HBx 1.0 . 3.65 633 577 A 33 GLU H A 33 GLU HBy 1.0 . 3.65 634 578 A 34 PHE H A 33 GLU HBx 1.0 . 4.41 635 578 A 34 PHE H A 33 GLU HBy 1.0 . 4.41 636 579 A 34 PHE H A 34 PHE HBx 1.0 . 3.43 637 579 A 34 PHE H A 34 PHE HBy 1.0 . 3.43 638 580 A 35 GLU H A 34 PHE HBx 1.0 . 3.56 639 580 A 35 GLU H A 34 PHE HBy 1.0 . 3.56 640 581 A 34 PHE HD% A 60 LEU HD2% 1.0 . 3.58 641 581 A 34 PHE HD% A 60 LEU HD1% 1.0 . 3.58 642 582 A 37 SER H A 36 PRO HBx 1.0 . 3.83 643 582 A 37 SER H A 36 PRO HBy 1.0 . 3.83 644 583 A 40 GLN H A 40 GLN HBx 1.0 . 3.49 645 583 A 40 GLN H A 40 GLN HBy 1.0 . 3.49 646 584 A 41 TYR H A 40 GLN HBx 1.0 . 3.89 647 584 A 41 TYR H A 40 GLN HBy 1.0 . 3.89 648 585 A 41 TYR H A 41 TYR HBx 1.0 . 3.34 649 585 A 41 TYR H A 41 TYR HBy 1.0 . 3.34 650 586 A 42 THR H A 41 TYR HBx 1.0 . 4.28 651 586 A 42 THR H A 41 TYR HBy 1.0 . 4.28 652 587 A 45 LEU H A 45 LEU HBy 1.0 . 3.04 653 587 A 45 LEU H A 45 LEU HBx 1.0 . 3.04 654 588 A 45 LEU H A 45 LEU HD2% 1.0 . 4.09 655 588 A 45 LEU H A 45 LEU HD1% 1.0 . 4.09 656 589 A 45 LEU HA A 45 LEU HD2% 1.0 . 3.40 657 589 A 45 LEU HA A 45 LEU HD1% 1.0 . 3.40 658 590 A 46 MET H A 45 LEU HD2% 1.0 . 4.79 659 590 A 46 MET H A 45 LEU HD1% 1.0 . 4.79 660 591 A 46 MET H A 46 MET HBx 1.0 . 3.29 661 591 A 46 MET H A 46 MET HBy 1.0 . 3.29 662 592 A 47 ASN HBy A 47 ASN HD2y 1.0 . 3.15 663 592 A 47 ASN HD2x A 47 ASN HBx 1.0 . 3.15 664 592 A 47 ASN HBy A 47 ASN HD2x 1.0 . 3.15 665 592 A 47 ASN HBx A 47 ASN HD2y 1.0 . 3.15 666 593 A 57 GLN H A 56 GLN HBy 1.0 . 4.32 667 593 A 57 GLN H A 56 GLN HBx 1.0 . 4.32 668 594 A 57 GLN H A 57 GLN HBx 1.0 . 3.43 669 594 A 57 GLN H A 57 GLN HBy 1.0 . 3.43 670 595 A 57 GLN H A 57 GLN HGx 1.0 . 3.71 671 595 A 57 GLN H A 57 GLN HGy 1.0 . 3.71 672 596 A 57 GLN HA A 58 VAL HG11 1.0 . 4.96 673 596 A 57 GLN HA A 58 VAL HG2% 1.0 . 4.96 674 597 A 57 GLN HE2y A 57 GLN HBy 1.0 . 3.48 675 597 A 57 GLN HE2x A 57 GLN HBx 1.0 . 3.48 676 597 A 57 GLN HE2y A 57 GLN HBx 1.0 . 3.48 677 597 A 57 GLN HE2x A 57 GLN HBy 1.0 . 3.48 678 598 A 58 VAL H A 57 GLN HBx 1.0 . 4.05 679 598 A 58 VAL H A 57 GLN HBy 1.0 . 4.05 680 599 A 57 GLN HE2x A 57 GLN HGy 1.0 . 3.04 681 599 A 57 GLN HE2x A 57 GLN HGx 1.0 . 3.04 682 599 A 57 GLN HE2y A 57 GLN HGy 1.0 . 3.04 683 599 A 57 GLN HE2y A 57 GLN HGx 1.0 . 3.04 684 600 A 58 VAL H A 57 GLN HGx 1.0 . 3.86 685 600 A 58 VAL H A 57 GLN HGy 1.0 . 3.86 686 601 A 57 GLN HGx A 58 VAL HG11 1.0 . 4.37 687 601 A 57 GLN HGy A 58 VAL HG11 1.0 . 4.37 688 601 A 58 VAL HG2% A 57 GLN HGx 1.0 . 4.37 689 601 A 57 GLN HGy A 58 VAL HG2% 1.0 . 4.37 690 602 A 58 VAL H A 58 VAL HG11 1.0 . 3.27 691 602 A 58 VAL H A 58 VAL HG2% 1.0 . 3.27 692 603 A 59 CYS H A 58 VAL HG11 1.0 . 3.89 693 603 A 59 CYS H A 58 VAL HG2% 1.0 . 3.89 694 604 A 60 LEU H A 59 CYS HBy 1.0 . 3.68 695 604 A 60 LEU H A 59 CYS HBx 1.0 . 3.68 696 605 A 60 LEU H A 60 LEU HBy 1.0 . 3.44 697 605 A 60 LEU H A 60 LEU HBx 1.0 . 3.44 698 606 A 60 LEU H A 60 LEU HD2% 1.0 . 4.00 699 606 A 60 LEU H A 60 LEU HD1% 1.0 . 4.00 700 607 A 60 LEU HA A 60 LEU HD2% 1.0 . 3.48 701 607 A 60 LEU HA A 60 LEU HD1% 1.0 . 3.48 702 608 A 60 LEU HBy A 60 LEU HD2% 1.0 . 2.76 703 608 A 60 LEU HBx A 60 LEU HD2% 1.0 . 2.76 704 608 A 60 LEU HD1% A 60 LEU HBy 1.0 . 2.76 705 608 A 60 LEU HD1% A 60 LEU HBx 1.0 . 2.76 706 609 A 61 SER H A 60 LEU HBy 1.0 . 3.77 707 609 A 61 SER H A 60 LEU HBx 1.0 . 3.77 708 610 A 61 SER H A 60 LEU HD2% 1.0 . 3.49 709 610 A 61 SER H A 60 LEU HD1% 1.0 . 3.49 710 611 A 62 PHE HD% A 60 LEU HD2% 1.0 . 3.93 711 611 A 62 PHE HD% A 60 LEU HD1% 1.0 . 3.93 712 612 A 62 PHE HE% A 60 LEU HD2% 1.0 . 3.73 713 612 A 62 PHE HE% A 60 LEU HD1% 1.0 . 3.73 714 613 A 62 PHE HZ A 60 LEU HD2% 1.0 . 3.98 715 613 A 62 PHE HZ A 60 LEU HD1% 1.0 . 3.98 716 614 A 71 TYR HD% A 60 LEU HD2% 1.0 . 3.99 717 614 A 71 TYR HD% A 60 LEU HD1% 1.0 . 3.99 718 615 A 61 SER H A 61 SER HBy 1.0 . 3.44 719 615 A 61 SER H A 61 SER HBx 1.0 . 3.44 720 616 A 62 PHE HD% A 67 LEU HD2% 1.0 . 3.48 721 616 A 62 PHE HD% A 67 LEU HD1% 1.0 . 3.48 722 617 A 63 THR H A 67 LEU HD2% 1.0 . 4.80 723 617 A 63 THR H A 67 LEU HD1% 1.0 . 4.80 724 618 A 63 THR HB A 67 LEU HD2% 1.0 . 3.80 725 618 A 63 THR HB A 67 LEU HD1% 1.0 . 3.80 726 619 A 64 THR H A 67 LEU HD2% 1.0 . 3.48 727 619 A 64 THR H A 67 LEU HD1% 1.0 . 3.48 728 620 A 65 ARG H A 65 ARG HBy 1.0 . 3.25 729 620 A 65 ARG H A 65 ARG HBx 1.0 . 3.25 730 621 A 65 ARG H A 65 ARG HGy 1.0 . 4.09 731 621 A 65 ARG H A 65 ARG HGx 1.0 . 4.09 732 622 A 65 ARG HA A 65 ARG HGy 1.0 . 3.67 733 622 A 65 ARG HA A 65 ARG HGx 1.0 . 3.67 734 623 A 65 ARG HA A 65 ARG HDy 1.0 . 4.39 735 623 A 65 ARG HA A 65 ARG HDx 1.0 . 4.39 736 624 A 66 GLU H A 65 ARG HBy 1.0 . 3.62 737 624 A 66 GLU H A 65 ARG HBx 1.0 . 3.62 738 625 A 68 ALA HB% A 65 ARG HBy 1.0 . 5.03 739 625 A 68 ALA HB% A 65 ARG HBx 1.0 . 5.03 740 626 A 66 GLU H A 65 ARG HGy 1.0 . 3.99 741 626 A 66 GLU H A 65 ARG HGx 1.0 . 3.99 742 627 A 66 GLU H A 65 ARG HDy 1.0 . 3.94 743 627 A 66 GLU H A 65 ARG HDx 1.0 . 3.94 744 628 A 69 ILE HD1% A 65 ARG HDy 1.0 . 4.08 745 628 A 69 ILE HD1% A 65 ARG HDx 1.0 . 4.08 746 629 A 66 GLU H A 66 GLU HBx 1.0 . 3.16 747 629 A 66 GLU H A 66 GLU HBy 1.0 . 3.16 748 630 A 67 LEU H A 66 GLU HBx 1.0 . 3.62 749 630 A 67 LEU H A 66 GLU HBy 1.0 . 3.62 750 631 A 70 ALA H A 66 GLU HBx 1.0 . 5.34 751 631 A 70 ALA H A 66 GLU HBy 1.0 . 5.34 752 632 A 67 LEU HA A 67 LEU HD2% 1.0 . 2.86 753 632 A 67 LEU HA A 67 LEU HD1% 1.0 . 2.86 754 633 A 70 ALA HB% A 67 LEU HD2% 1.0 . 3.50 755 633 A 70 ALA HB% A 67 LEU HD1% 1.0 . 3.50 756 634 A 68 ALA HA A 71 TYR HBx 1.0 . 4.26 757 634 A 68 ALA HA A 71 TYR HBy 1.0 . 4.26 758 635 A 69 ILE HD1% A 81 VAL HG11 1.0 . 3.34 759 635 A 69 ILE HD1% A 81 VAL HG2% 1.0 . 3.34 760 636 A 70 ALA H A 71 TYR HBx 1.0 . 4.89 761 636 A 70 ALA H A 71 TYR HBy 1.0 . 4.89 762 637 A 70 ALA HB% A 71 TYR HBx 1.0 . 4.48 763 637 A 70 ALA HB% A 71 TYR HBy 1.0 . 4.48 764 638 A 72 ALA H A 71 TYR HBx 1.0 . 3.86 765 638 A 72 ALA H A 71 TYR HBy 1.0 . 3.86 766 639 A 75 HIS H A 75 HIS HBy 1.0 . 3.30 767 639 A 75 HIS H A 75 HIS HBx 1.0 . 3.30 768 640 A 76 LYS H A 75 HIS HBy 1.0 . 4.48 769 640 A 76 LYS H A 75 HIS HBx 1.0 . 4.48 770 641 A 77 ILE H A 75 HIS HBy 1.0 . 4.45 771 641 A 77 ILE H A 75 HIS HBx 1.0 . 4.45 772 642 A 77 ILE HD1% A 75 HIS HBy 1.0 . 3.68 773 642 A 77 ILE HD1% A 75 HIS HBx 1.0 . 3.68 774 643 A 76 LYS H A 76 LYS HBx 1.0 . 3.57 775 643 A 76 LYS H A 76 LYS HBy 1.0 . 3.57 776 644 A 76 LYS H A 76 LYS HEx 1.0 . 4.44 777 644 A 76 LYS H A 76 LYS HEy 1.0 . 4.44 778 645 A 76 LYS HBx A 76 LYS HEx 1.0 . 3.91 779 645 A 76 LYS HEy A 76 LYS HBx 1.0 . 3.91 780 645 A 76 LYS HBy A 76 LYS HEy 1.0 . 3.91 781 645 A 76 LYS HBy A 76 LYS HEx 1.0 . 3.91 782 646 A 77 ILE H A 76 LYS HBx 1.0 . 4.29 783 646 A 77 ILE H A 76 LYS HBy 1.0 . 4.29 784 647 A 77 ILE H A 77 ILE HG1x 1.0 . 3.65 785 647 A 77 ILE H A 77 ILE HG1y 1.0 . 3.65 786 648 A 77 ILE HA A 77 ILE HG1x 1.0 . 3.54 787 648 A 77 ILE HA A 77 ILE HG1y 1.0 . 3.54 788 649 A 77 ILE HG2% A 78 ASP HBx 1.0 . 4.07 789 649 A 77 ILE HG2% A 78 ASP HBy 1.0 . 4.07 790 650 A 78 ASP H A 77 ILE HG1x 1.0 . 4.91 791 650 A 78 ASP H A 77 ILE HG1y 1.0 . 4.91 792 651 A 78 ASP H A 78 ASP HBx 1.0 . 3.17 793 651 A 78 ASP H A 78 ASP HBy 1.0 . 3.17 794 652 A 79 TYR H A 78 ASP HBx 1.0 . 4.06 795 652 A 79 TYR H A 78 ASP HBy 1.0 . 4.06 796 653 A 79 TYR HD% A 81 VAL HG11 1.0 . 3.15 797 653 A 79 TYR HD% A 81 VAL HG2% 1.0 . 3.15 798 654 A 79 TYR HE% A 81 VAL HG11 1.0 . 3.51 799 654 A 79 TYR HE% A 81 VAL HG2% 1.0 . 3.51 800 655 A 80 THR HA A 81 VAL HG11 1.0 . 4.06 801 655 A 80 THR HA A 81 VAL HG2% 1.0 . 4.06 802 656 A 81 VAL H A 81 VAL HG11 1.0 . 3.04 803 656 A 81 VAL H A 81 VAL HG2% 1.0 . 3.04 804 657 A 81 VAL HA A 81 VAL HG11 1.0 . 3.06 805 657 A 81 VAL HA A 81 VAL HG2% 1.0 . 3.06 806 658 A 82 LEU H A 81 VAL HG11 1.0 . 4.28 807 658 A 82 LEU H A 81 VAL HG2% 1.0 . 4.28 808 659 A 81 VAL HG2% A 83 GLN HGx 1.0 . 4.64 809 659 A 81 VAL HG11 A 83 GLN HGx 1.0 . 4.64 810 659 A 83 GLN HGy A 81 VAL HG11 1.0 . 4.64 811 659 A 81 VAL HG2% A 83 GLN HGy 1.0 . 4.64 812 660 A 81 VAL HG2% A 83 GLN HE2x 1.0 . 4.03 813 660 A 81 VAL HG11 A 83 GLN HE2x 1.0 . 4.03 814 660 A 83 GLN HE2y A 81 VAL HG11 1.0 . 4.03 815 660 A 81 VAL HG2% A 83 GLN HE2y 1.0 . 4.03 816 661 A 82 LEU H A 82 LEU HD2% 1.0 . 3.85 817 661 A 82 LEU H A 82 LEU HD1% 1.0 . 3.85 818 662 A 82 LEU HA A 82 LEU HD2% 1.0 . 3.17 819 662 A 82 LEU HA A 82 LEU HD1% 1.0 . 3.17 820 663 A 83 GLN H A 82 LEU HBy 1.0 . 3.86 821 663 A 83 GLN H A 82 LEU HBx 1.0 . 3.86 822 664 A 83 GLN H A 82 LEU HD2% 1.0 . 3.91 823 664 A 83 GLN H A 82 LEU HD1% 1.0 . 3.91 824 665 A 83 GLN H A 83 GLN HGx 1.0 . 3.80 825 665 A 83 GLN H A 83 GLN HGy 1.0 . 3.80 826 666 A 85 ASN H A 84 ASP HBy 1.0 . 3.95 827 666 A 84 ASP HBx A 85 ASN H 1.0 . 3.95 828 667 A 87 ARG H A 86 PRO HBx 1.0 . 3.74 829 667 A 87 ARG H A 86 PRO HBy 1.0 . 3.74 830 668 A 87 ARG H A 87 ARG HBy 1.0 . 3.50 831 668 A 87 ARG H A 87 ARG HBx 1.0 . 3.50 832 669 A 87 ARG HA A 87 ARG HDx 1.0 . 3.94 833 669 A 87 ARG HA A 87 ARG HDy 1.0 . 3.94 834 670 A 89 ILE H A 89 ILE HG1y 1.0 . 3.54 835 670 A 89 ILE H A 89 ILE HG1x 1.0 . 3.54 836 671 A 89 ILE HA A 89 ILE HG1y 1.0 . 3.65 837 671 A 89 ILE HA A 89 ILE HG1x 1.0 . 3.65 838 672 A 90 VAL H A 89 ILE HG1y 1.0 . 4.33 839 672 A 90 VAL H A 89 ILE HG1x 1.0 . 4.33 840 673 A 96 ASP H A 96 ASP HBx 1.0 . 3.49 841 673 A 96 ASP H A 96 ASP HBy 1.0 . 3.49 842 674 A 102 ARG HA A 102 ARG HBx 1.0 . 2.61 843 674 A 102 ARG HA A 102 ARG HBy 1.0 . 2.61 844 675 A 103 ASP H A 103 ASP HBx 1.0 . 3.68 845 675 A 103 ASP H A 103 ASP HBy 1.0 . 3.68 stop_ save_