data_nef_c19508_2mdx 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 2KCJ PDB 3RCP PDB 2MDX stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 PRO middle . false 3 A 3 LEU middle . . 4 A 4 GLY middle . false 5 A 5 SER middle . . 6 A 6 PRO middle . false 7 A 7 GLU middle . . 8 A 8 PHE middle . . 9 A 9 MET middle . . 10 A 10 GLU middle . . 11 A 11 GLY middle . false 12 A 12 VAL middle . . 13 A 13 LEU middle . . 14 A 14 TYR middle . . 15 A 15 LYS middle . . 16 A 16 TRP middle . . 17 A 17 THR middle . . 18 A 18 ASN middle . . 19 A 19 TYR middle . . 20 A 20 LEU middle . . 21 A 21 THR middle . . 22 A 22 GLY middle . false 23 A 23 TRP middle . . 24 A 24 GLN middle . . 25 A 25 PRO middle . false 26 A 26 ARG middle . . 27 A 27 TRP middle . . 28 A 28 PHE middle . . 29 A 29 VAL middle . . 30 A 30 LEU middle . . 31 A 31 ASP middle . . 32 A 32 ASN middle . . 33 A 33 GLY middle . false 34 A 34 ILE middle . . 35 A 35 LEU middle . . 36 A 36 SER middle . . 37 A 37 TYR middle . . 38 A 38 TYR middle . . 39 A 39 ASP middle . . 40 A 40 SER middle . . 41 A 41 GLN middle . . 42 A 42 ASP middle . . 43 A 43 ASP middle . . 44 A 44 VAL middle . . 45 A 45 CYS middle . . 46 A 46 LYS middle . . 47 A 47 GLY middle . false 48 A 48 SER middle . . 49 A 49 LYS middle . . 50 A 50 GLY middle . false 51 A 51 SER middle . . 52 A 52 ILE middle . . 53 A 53 LYS middle . . 54 A 54 MET middle . . 55 A 55 ALA middle . . 56 A 56 VAL middle . . 57 A 57 CYS middle . . 58 A 58 GLU middle . . 59 A 59 ILE middle . . 60 A 60 LYS middle . . 61 A 61 VAL middle . . 62 A 62 HIS middle . . 63 A 63 SER middle . . 64 A 64 ALA middle . . 65 A 65 ASP middle . . 66 A 66 ASN middle . . 67 A 67 THR middle . . 68 A 68 ARG middle . . 69 A 69 MET middle . . 70 A 70 GLU middle . . 71 A 71 LEU middle . . 72 A 72 ILE middle . . 73 A 73 ILE middle . . 74 A 74 PRO middle . false 75 A 75 GLY middle . false 76 A 76 GLU middle . . 77 A 77 GLN middle . . 78 A 78 HIS middle . . 79 A 79 PHE middle . . 80 A 80 TYR middle . . 81 A 81 MET middle . . 82 A 82 LYS middle . . 83 A 83 ALA middle . . 84 A 84 VAL middle . . 85 A 85 ASN middle . . 86 A 86 ALA middle . . 87 A 87 ALA middle . . 88 A 88 GLU middle . . 89 A 89 ARG middle . . 90 A 90 GLN middle . . 91 A 91 ARG middle . . 92 A 92 TRP middle . . 93 A 93 LEU middle . . 94 A 94 VAL middle . . 95 A 95 ALA middle . . 96 A 96 LEU middle . . 97 A 97 GLY middle . false 98 A 98 SER middle . . 99 A 99 SER middle . . 100 A 100 LYS middle . . 101 A 101 ALA middle . . 102 A 102 CYS middle . . 103 A 103 LEU middle . . 104 A 104 THR middle . . 105 A 105 ASP middle . . 106 A 106 THR middle . . 107 A 107 ARG middle . . 108 A 108 THR end . . stop_ save_ save_assigned_chem_shift_list _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 PRO HD2 H 1 3.522 0.002 A 2 PRO HD3 H 1 3.522 0.002 A 2 PRO HG2 H 1 1.977 0.02 A 2 PRO HG3 H 1 1.977 0.02 A 2 PRO C C 13 176.927 . A 2 PRO CD C 13 49.607 0.018 A 2 PRO CG C 13 27.052 0.003 A 3 LEU H H 1 8.461 0.001 A 3 LEU HA H 1 4.309 0.002 A 3 LEU HBx H 1 1.585 0.02 A 3 LEU HBy H 1 1.655 0.02 A 3 LEU HDx% H 1 0.918 0.003 A 3 LEU HDy% H 1 0.870 0.001 A 3 LEU C C 13 177.798 . A 3 LEU CA C 13 55.500 0.072 A 3 LEU CB C 13 42.110 0.043 A 3 LEU CDy C 13 24.864 0.007 A 3 LEU CDx C 13 23.489 0.013 A 3 LEU N N 15 122.440 0.018 A 4 GLY H H 1 8.362 0.001 A 4 GLY HA2 H 1 3.960 0.02 A 4 GLY HA3 H 1 3.960 0.02 A 4 GLY C C 13 173.722 . A 4 GLY CA C 13 45.281 0.013 A 4 GLY N N 15 110.100 0.003 A 5 SER H H 1 8.140 0.001 A 5 SER N N 15 117.132 0.009 A 6 PRO HA H 1 4.368 0.003 A 6 PRO C C 13 176.615 . A 6 PRO CA C 13 63.559 0.09 A 7 GLU H H 1 8.363 0.006 A 7 GLU HA H 1 4.253 0.004 A 7 GLU HB2 H 1 1.930 0.02 A 7 GLU HB3 H 1 1.930 0.02 A 7 GLU C C 13 175.034 . A 7 GLU CA C 13 56.605 0.085 A 7 GLU CB C 13 30.296 0.031 A 7 GLU N N 15 120.183 0.023 A 8 PHE H H 1 7.862 0.021 A 8 PHE HA H 1 5.174 0.005 A 8 PHE HBx H 1 2.842 0.003 A 8 PHE HBy H 1 3.125 0.004 A 8 PHE HDx H 1 7.213 0.008 A 8 PHE HDy H 1 7.213 0.008 A 8 PHE C C 13 174.747 . A 8 PHE CA C 13 56.975 0.082 A 8 PHE CB C 13 41.854 0.04 A 8 PHE N N 15 122.573 0.017 A 9 MET H H 1 7.824 0.005 A 9 MET HA H 1 4.073 0.004 A 9 MET HBy H 1 1.352 0.005 A 9 MET HBx H 1 1.022 0.004 A 9 MET HE% H 1 0.952 0.002 A 9 MET HG2 H 1 0.986 0.01 A 9 MET HG3 H 1 0.986 0.01 A 9 MET C C 13 171.163 . A 9 MET CA C 13 54.666 0.079 A 9 MET CB C 13 34.935 0.064 A 9 MET CE C 13 16.420 0.013 A 9 MET CG C 13 31.601 0.029 A 9 MET N N 15 127.566 0.029 A 10 GLU H H 1 7.673 0.005 A 10 GLU HA H 1 5.587 0.007 A 10 GLU HBx H 1 1.884 0.005 A 10 GLU HBy H 1 2.019 0.005 A 10 GLU HGy H 1 2.384 0.007 A 10 GLU HGx H 1 2.193 0.005 A 10 GLU C C 13 174.834 . A 10 GLU CA C 13 53.420 0.064 A 10 GLU CB C 13 32.552 0.055 A 10 GLU CG C 13 34.486 0.063 A 10 GLU N N 15 118.934 0.025 A 11 GLY H H 1 7.960 0.001 A 11 GLY HAy H 1 4.349 0.007 A 11 GLY HAx H 1 3.071 0.006 A 11 GLY C C 13 170.871 . A 11 GLY CA C 13 45.112 0.062 A 11 GLY N N 15 108.503 0.005 A 12 VAL H H 1 8.423 0.002 A 12 VAL HA H 1 4.389 0.02 A 12 VAL HB H 1 2.048 0.006 A 12 VAL HGx% H 1 1.358 0.002 A 12 VAL HGy% H 1 0.761 0.002 A 12 VAL C C 13 177.803 . A 12 VAL CA C 13 62.456 0.002 A 12 VAL CB C 13 33.166 0.024 A 12 VAL CGy C 13 22.670 0.029 A 12 VAL CGx C 13 20.788 0.032 A 12 VAL N N 15 119.772 0.006 A 13 LEU H H 1 8.629 0.004 A 13 LEU HA H 1 4.358 0.007 A 13 LEU HBy H 1 1.055 0.007 A 13 LEU HBx H 1 0.509 0.004 A 13 LEU HDx% H 1 0.203 0.004 A 13 LEU HDy% H 1 -1.331 0.004 A 13 LEU HG H 1 0.633 0.006 A 13 LEU C C 13 175.356 . A 13 LEU CA C 13 54.191 0.071 A 13 LEU CB C 13 46.411 0.046 A 13 LEU CDy C 13 23.494 0.04 A 13 LEU CDx C 13 23.209 0.042 A 13 LEU CG C 13 26.271 0.011 A 13 LEU N N 15 126.035 0.01 A 14 TYR H H 1 9.012 0.008 A 14 TYR HA H 1 4.992 0.007 A 14 TYR HBx H 1 2.771 0.005 A 14 TYR HBy H 1 3.040 0.005 A 14 TYR HDx H 1 6.782 0.015 A 14 TYR HDy H 1 6.782 0.015 A 14 TYR C C 13 174.995 . A 14 TYR CA C 13 57.627 0.003 A 14 TYR CB C 13 39.433 0.08 A 14 TYR N N 15 119.274 0.006 A 15 LYS H H 1 9.510 0.005 A 15 LYS HA H 1 5.468 0.005 A 15 LYS HBx H 1 1.457 0.011 A 15 LYS HBy H 1 1.702 0.005 A 15 LYS HDx H 1 0.895 0.005 A 15 LYS HDy H 1 1.114 0.009 A 15 LYS HEy H 1 2.230 0.003 A 15 LYS HEx H 1 2.098 0.002 A 15 LYS HG2 H 1 1.299 0.008 A 15 LYS HG3 H 1 1.299 0.008 A 15 LYS C C 13 175.828 . A 15 LYS CA C 13 54.120 0.103 A 15 LYS CB C 13 37.214 0.057 A 15 LYS CD C 13 29.530 0.05 A 15 LYS CE C 13 41.913 0.038 A 15 LYS CG C 13 24.794 0.021 A 15 LYS N N 15 124.274 0.017 A 16 TRP H H 1 8.297 0.004 A 16 TRP HA H 1 3.851 0.009 A 16 TRP HBy H 1 2.695 0.008 A 16 TRP HBx H 1 1.448 0.005 A 16 TRP HE1 H 1 9.796 0.002 A 16 TRP HE3 H 1 5.417 0.02 A 16 TRP HH2 H 1 6.862 0.02 A 16 TRP HZ2 H 1 6.620 0.02 A 16 TRP C C 13 175.958 . A 16 TRP CA C 13 57.958 0.078 A 16 TRP CB C 13 29.329 0.076 A 16 TRP N N 15 129.372 0.015 A 16 TRP NE1 N 15 129.378 . A 17 THR H H 1 6.741 0.006 A 17 THR HA H 1 4.097 0.003 A 17 THR HB H 1 3.824 0.001 A 17 THR HG2% H 1 1.031 0.003 A 17 THR CA C 13 61.412 0.061 A 17 THR CB C 13 69.375 0.064 A 17 THR CG2 C 13 21.443 0.036 A 17 THR N N 15 121.104 0.016 A 18 ASN H H 1 7.343 0.001 A 18 ASN HA H 1 4.002 0.006 A 18 ASN HBy H 1 2.940 0.02 A 18 ASN HBx H 1 2.878 0.02 A 18 ASN HD21 H 1 6.740 0.02 A 18 ASN HD22 H 1 7.502 0.02 A 18 ASN CA C 13 52.069 0.053 A 18 ASN CB C 13 39.292 0.01 A 18 ASN N N 15 115.691 0.002 A 18 ASN ND2 N 15 114.811 0.002 A 19 TYR H H 1 8.291 0.02 A 19 TYR HA H 1 4.268 0.004 A 19 TYR HB2 H 1 3.143 0.008 A 19 TYR HB3 H 1 3.143 0.008 A 19 TYR HEx H 1 6.877 0.02 A 19 TYR HEy H 1 6.877 0.02 A 19 TYR C C 13 176.094 . A 19 TYR CA C 13 60.745 0.1 A 19 TYR CB C 13 37.868 0.029 A 19 TYR N N 15 115.718 . A 20 LEU H H 1 7.831 0.005 A 20 LEU HA H 1 4.073 0.003 A 20 LEU HBx H 1 1.425 0.002 A 20 LEU HBy H 1 1.513 0.003 A 20 LEU HDx% H 1 0.756 0.002 A 20 LEU HDy% H 1 0.796 0.001 A 20 LEU HG H 1 1.154 0.004 A 20 LEU C C 13 178.735 . A 20 LEU CA C 13 56.961 0.076 A 20 LEU CB C 13 41.913 0.028 A 20 LEU CDx C 13 23.783 0.02 A 20 LEU CDy C 13 24.505 0.016 A 20 LEU CG C 13 26.773 0.03 A 20 LEU N N 15 121.168 0.01 A 21 THR H H 1 7.654 0.006 A 21 THR HA H 1 4.139 0.012 A 21 THR HB H 1 4.086 0.011 A 21 THR HG2% H 1 1.038 0.004 A 21 THR C C 13 175.828 . A 21 THR CA C 13 62.209 0.075 A 21 THR CB C 13 69.227 0.059 A 21 THR CG2 C 13 22.087 0.077 A 21 THR N N 15 108.546 0.007 A 22 GLY H H 1 7.665 0.003 A 22 GLY HAx H 1 2.786 0.007 A 22 GLY HAy H 1 3.691 0.005 A 22 GLY C C 13 175.116 . A 22 GLY CA C 13 46.127 0.08 A 22 GLY N N 15 110.186 0.008 A 23 TRP H H 1 8.811 0.004 A 23 TRP HBy H 1 3.233 0.001 A 23 TRP HBx H 1 3.018 0.006 A 23 TRP HE1 H 1 10.272 0.02 A 23 TRP HH2 H 1 6.783 0.007 A 23 TRP C C 13 176.536 . A 23 TRP CA C 13 57.055 0.015 A 23 TRP CB C 13 29.802 0.032 A 23 TRP N N 15 127.302 0.012 A 23 TRP NE1 N 15 130.901 . A 24 GLN H H 1 8.899 0.002 A 24 GLN HA H 1 5.155 0.008 A 24 GLN HBy H 1 2.188 0.004 A 24 GLN HBx H 1 1.697 0.008 A 24 GLN HE21 H 1 6.962 0.02 A 24 GLN HE22 H 1 7.741 0.02 A 24 GLN HGy H 1 2.297 0.003 A 24 GLN HGx H 1 1.704 0.02 A 24 GLN CA C 13 52.347 0.051 A 24 GLN CB C 13 31.409 0.03 A 24 GLN CG C 13 33.305 0.048 A 24 GLN N N 15 122.955 0.007 A 24 GLN NE2 N 15 113.841 0.003 A 25 PRO HA H 1 4.171 0.008 A 25 PRO HBy H 1 1.863 0.005 A 25 PRO HBx H 1 1.549 0.006 A 25 PRO HDy H 1 3.975 0.005 A 25 PRO HDx H 1 3.875 0.006 A 25 PRO HGy H 1 2.333 0.003 A 25 PRO HGx H 1 2.141 0.008 A 25 PRO C C 13 176.873 . A 25 PRO CA C 13 62.919 0.031 A 25 PRO CB C 13 31.421 0.045 A 25 PRO CD C 13 50.498 0.056 A 25 PRO CG C 13 26.999 0.036 A 26 ARG H H 1 9.011 0.002 A 26 ARG HBy H 1 1.833 0.005 A 26 ARG HBx H 1 1.687 0.016 A 26 ARG HDx H 1 3.032 0.012 A 26 ARG HDy H 1 3.663 0.001 A 26 ARG HG3 H 1 1.355 0.006 A 26 ARG C C 13 173.109 . A 26 ARG CA C 13 53.342 0.006 A 26 ARG CB C 13 34.104 0.02 A 26 ARG CD C 13 43.596 0.058 A 26 ARG CG C 13 28.132 0.03 A 26 ARG N N 15 123.809 0.015 A 27 TRP H H 1 8.351 0.001 A 27 TRP HA H 1 5.053 0.002 A 27 TRP HB2 H 1 2.871 0.001 A 27 TRP HB3 H 1 2.871 0.001 A 27 TRP HD1 H 1 6.518 0.02 A 27 TRP HE1 H 1 10.351 0.002 A 27 TRP HE3 H 1 7.528 0.011 A 27 TRP HH2 H 1 7.180 0.001 A 27 TRP HZ2 H 1 7.314 0.02 A 27 TRP HZ3 H 1 7.171 0.02 A 27 TRP C C 13 174.694 . A 27 TRP CA C 13 56.241 0.067 A 27 TRP CB C 13 31.263 0.033 A 27 TRP N N 15 121.890 0.009 A 27 TRP NE1 N 15 129.465 . A 28 PHE H H 1 9.003 0.004 A 28 PHE HA H 1 5.357 0.011 A 28 PHE HBy H 1 2.697 0.008 A 28 PHE HBx H 1 2.487 0.01 A 28 PHE HDx H 1 6.949 0.023 A 28 PHE HDy H 1 6.949 0.023 A 28 PHE HEx H 1 6.854 0.02 A 28 PHE HEy H 1 6.854 0.02 A 28 PHE C C 13 174.662 . A 28 PHE CA C 13 56.761 0.067 A 28 PHE CB C 13 43.209 0.068 A 28 PHE N N 15 128.791 0.021 A 29 VAL H H 1 9.036 0.006 A 29 VAL HB H 1 2.236 0.004 A 29 VAL HGx% H 1 1.042 0.005 A 29 VAL HGy% H 1 1.183 0.002 A 29 VAL C C 13 174.825 . A 29 VAL CA C 13 61.832 0.004 A 29 VAL CB C 13 36.454 0.024 A 29 VAL CGx C 13 22.122 0.037 A 29 VAL CGy C 13 22.368 0.042 A 29 VAL N N 15 117.785 0.015 A 30 LEU H H 1 9.531 0.007 A 30 LEU HA H 1 5.283 0.004 A 30 LEU HBx H 1 1.338 0.003 A 30 LEU HBy H 1 1.894 0.006 A 30 LEU HD1% H 1 0.819 0.003 A 30 LEU HD2% H 1 0.819 0.003 A 30 LEU HG H 1 0.767 0.002 A 30 LEU C C 13 173.473 . A 30 LEU CA C 13 53.255 0.064 A 30 LEU CB C 13 44.978 0.044 A 30 LEU CD1 C 13 22.099 0.026 A 30 LEU CD2 C 13 22.099 0.026 A 30 LEU CG C 13 26.990 0.051 A 30 LEU N N 15 132.216 0.011 A 31 ASP H H 1 8.488 0.004 A 31 ASP HA H 1 5.122 0.007 A 31 ASP HB2 H 1 2.799 0.007 A 31 ASP HB3 H 1 2.799 0.007 A 31 ASP C C 13 177.018 . A 31 ASP CA C 13 53.744 0.069 A 31 ASP CB C 13 43.967 0.056 A 31 ASP N N 15 122.346 0.009 A 32 ASN H H 1 9.237 0.004 A 32 ASN HA H 1 4.389 0.004 A 32 ASN HBy H 1 3.129 0.002 A 32 ASN HBx H 1 2.628 0.003 A 32 ASN HD21 H 1 6.793 0.002 A 32 ASN HD22 H 1 7.659 0.002 A 32 ASN CA C 13 54.413 0.087 A 32 ASN CB C 13 37.862 0.045 A 32 ASN N N 15 125.904 0.019 A 32 ASN ND2 N 15 112.987 0.002 A 33 GLY H H 1 9.027 0.007 A 33 GLY HAy H 1 4.153 0.005 A 33 GLY HAx H 1 3.562 0.004 A 33 GLY C C 13 173.274 . A 33 GLY CA C 13 45.947 0.071 A 33 GLY N N 15 102.880 0.004 A 34 ILE H H 1 7.934 0.003 A 34 ILE HB H 1 2.111 0.003 A 34 ILE HD1% H 1 0.862 0.002 A 34 ILE HG1x H 1 1.242 0.006 A 34 ILE HG1y H 1 1.536 0.003 A 34 ILE HG2% H 1 0.806 0.01 A 34 ILE C C 13 174.755 . A 34 ILE CA C 13 59.277 0.007 A 34 ILE CB C 13 39.293 0.019 A 34 ILE CD1 C 13 11.689 0.029 A 34 ILE CG1 C 13 27.039 0.03 A 34 ILE CG2 C 13 17.466 0.017 A 34 ILE N N 15 122.650 0.009 A 35 LEU H H 1 9.257 0.021 A 35 LEU HA H 1 5.430 0.005 A 35 LEU HBx H 1 1.283 0.008 A 35 LEU HBy H 1 2.098 0.004 A 35 LEU HDx% H 1 1.124 0.003 A 35 LEU HDy% H 1 0.765 0.008 A 35 LEU HG H 1 1.548 0.006 A 35 LEU C C 13 175.154 . A 35 LEU CA C 13 53.223 0.078 A 35 LEU CB C 13 44.557 0.049 A 35 LEU CDx C 13 24.943 0.013 A 35 LEU CDy C 13 26.145 0.045 A 35 LEU CG C 13 27.671 0.026 A 35 LEU N N 15 132.274 0.014 A 36 SER H H 1 9.657 0.005 A 36 SER HA H 1 5.377 0.006 A 36 SER HBx H 1 3.597 0.009 A 36 SER HBy H 1 3.816 0.005 A 36 SER C C 13 171.941 . A 36 SER CA C 13 57.378 0.102 A 36 SER CB C 13 66.081 0.07 A 36 SER N N 15 123.850 0.016 A 37 TYR H H 1 7.442 0.004 A 37 TYR HA H 1 5.647 0.005 A 37 TYR HBx H 1 1.459 0.002 A 37 TYR HBy H 1 1.692 0.004 A 37 TYR HDx H 1 6.372 0.02 A 37 TYR HDy H 1 6.372 0.02 A 37 TYR C C 13 172.754 . A 37 TYR CA C 13 54.712 0.068 A 37 TYR CB C 13 39.725 0.061 A 37 TYR N N 15 115.856 0.009 A 38 TYR H H 1 9.079 0.012 A 38 TYR HBy H 1 3.208 0.001 A 38 TYR HBx H 1 2.801 0.006 A 38 TYR HDx H 1 7.196 0.02 A 38 TYR HDy H 1 7.196 0.02 A 38 TYR HEx H 1 6.700 0.008 A 38 TYR HEy H 1 6.700 0.008 A 38 TYR C C 13 175.765 . A 38 TYR CA C 13 56.276 0.0 A 38 TYR CB C 13 43.323 0.028 A 38 TYR N N 15 118.122 0.012 A 39 ASP H H 1 9.455 0.001 A 39 ASP HA H 1 4.605 0.02 A 39 ASP HB2 H 1 2.711 0.007 A 39 ASP HB3 H 1 2.711 0.007 A 39 ASP C C 13 176.308 . A 39 ASP CA C 13 58.335 0.041 A 39 ASP CB C 13 40.474 0.087 A 39 ASP N N 15 122.199 0.008 A 40 SER H H 1 7.482 0.003 A 40 SER HA H 1 4.542 0.005 A 40 SER HBx H 1 3.905 0.001 A 40 SER HBy H 1 3.983 0.001 A 40 SER C C 13 173.730 . A 40 SER CA C 13 57.306 0.091 A 40 SER CB C 13 65.573 0.003 A 40 SER N N 15 107.524 0.003 A 41 GLN H H 1 8.808 0.002 A 41 GLN HA H 1 2.474 0.003 A 41 GLN HBx H 1 0.185 0.006 A 41 GLN HBy H 1 0.924 0.006 A 41 GLN HE21 H 1 6.536 0.02 A 41 GLN HE22 H 1 7.175 0.02 A 41 GLN HGy H 1 1.576 0.002 A 41 GLN HGx H 1 1.128 0.003 A 41 GLN C C 13 177.036 . A 41 GLN CA C 13 58.321 0.061 A 41 GLN CB C 13 27.164 0.04 A 41 GLN CG C 13 32.572 0.054 A 41 GLN N N 15 123.420 0.029 A 41 GLN NE2 N 15 111.511 0.005 A 42 ASP H H 1 7.736 0.002 A 42 ASP HA H 1 4.253 0.004 A 42 ASP HBy H 1 2.568 0.002 A 42 ASP HBx H 1 2.311 0.004 A 42 ASP C C 13 176.577 . A 42 ASP CA C 13 55.803 0.073 A 42 ASP CB C 13 40.541 0.043 A 42 ASP N N 15 116.813 0.013 A 43 ASP H H 1 7.357 0.008 A 43 ASP HBx H 1 2.659 0.003 A 43 ASP HBy H 1 3.224 0.002 A 43 ASP C C 13 177.159 . A 43 ASP CA C 13 54.786 0.003 A 43 ASP CB C 13 42.605 0.016 A 43 ASP N N 15 117.372 0.008 A 44 VAL H H 1 7.038 0.002 A 44 VAL HA H 1 3.343 0.003 A 44 VAL HB H 1 1.793 0.001 A 44 VAL HGx% H 1 0.460 0.002 A 44 VAL HGy% H 1 0.622 0.002 A 44 VAL C C 13 178.207 . A 44 VAL CA C 13 65.373 0.07 A 44 VAL CB C 13 31.107 0.009 A 44 VAL CGy C 13 21.948 0.019 A 44 VAL CGx C 13 20.641 0.037 A 44 VAL N N 15 121.936 0.005 A 45 CYS H H 1 8.107 0.002 A 45 CYS HA H 1 4.417 0.004 A 45 CYS HB2 H 1 2.997 0.002 A 45 CYS HB3 H 1 2.997 0.002 A 45 CYS C C 13 175.120 . A 45 CYS CA C 13 59.226 0.091 A 45 CYS CB C 13 27.083 0.077 A 45 CYS N N 15 115.418 0.006 A 46 LYS H H 1 7.826 0.002 A 46 LYS HA H 1 4.402 0.005 A 46 LYS HB2 H 1 2.067 0.001 A 46 LYS HB3 H 1 2.067 0.001 A 46 LYS HDx H 1 1.661 0.003 A 46 LYS HDy H 1 1.731 0.001 A 46 LYS HG2 H 1 1.432 0.004 A 46 LYS HG3 H 1 1.432 0.004 A 46 LYS C C 13 177.057 . A 46 LYS CA C 13 56.851 0.078 A 46 LYS CB C 13 33.116 . A 46 LYS CD C 13 29.243 0.054 A 46 LYS CG C 13 25.681 0.022 A 46 LYS N N 15 121.812 0.019 A 47 GLY H H 1 7.727 0.009 A 47 GLY HAy H 1 4.525 0.003 A 47 GLY HAx H 1 3.999 0.005 A 47 GLY C C 13 173.017 . A 47 GLY CA C 13 44.270 0.075 A 47 GLY N N 15 107.480 0.005 A 48 SER H H 1 8.459 0.001 A 48 SER HA H 1 3.744 0.008 A 48 SER HBx H 1 3.414 0.005 A 48 SER HBy H 1 3.604 0.006 A 48 SER C C 13 175.219 . A 48 SER CA C 13 58.048 0.072 A 48 SER CB C 13 63.828 0.035 A 48 SER N N 15 116.349 0.011 A 49 LYS H H 1 8.374 0.006 A 49 LYS HA H 1 4.139 0.001 A 49 LYS HBy H 1 1.594 0.004 A 49 LYS HBx H 1 1.115 0.005 A 49 LYS HDy H 1 1.627 0.002 A 49 LYS HDx H 1 1.580 0.002 A 49 LYS HE2 H 1 3.017 0.001 A 49 LYS HE3 H 1 3.017 0.001 A 49 LYS HGy H 1 1.475 0.004 A 49 LYS HGx H 1 1.346 0.004 A 49 LYS C C 13 176.490 . A 49 LYS CA C 13 55.575 0.02 A 49 LYS CB C 13 32.202 0.076 A 49 LYS CD C 13 28.119 0.021 A 49 LYS CE C 13 41.836 0.048 A 49 LYS CG C 13 24.336 0.027 A 49 LYS N N 15 121.212 0.007 A 50 GLY H H 1 6.707 0.006 A 50 GLY HAx H 1 3.537 0.007 A 50 GLY HAy H 1 3.877 0.004 A 50 GLY C C 13 170.989 . A 50 GLY CA C 13 45.094 0.08 A 50 GLY N N 15 106.064 0.004 A 51 SER H H 1 8.165 0.003 A 51 SER HA H 1 5.353 0.005 A 51 SER HBy H 1 3.703 0.02 A 51 SER HBx H 1 3.503 0.002 A 51 SER C C 13 172.793 . A 51 SER CA C 13 57.684 0.098 A 51 SER CB C 13 65.904 0.017 A 51 SER N N 15 113.370 0.014 A 52 ILE H H 1 9.291 0.006 A 52 ILE HA H 1 4.203 0.004 A 52 ILE HB H 1 1.626 0.005 A 52 ILE HD1% H 1 0.268 0.01 A 52 ILE HG1x H 1 0.779 0.007 A 52 ILE HG1y H 1 1.234 0.01 A 52 ILE HG2% H 1 0.679 0.005 A 52 ILE C C 13 174.296 . A 52 ILE CA C 13 60.232 0.069 A 52 ILE CB C 13 42.277 0.028 A 52 ILE CD1 C 13 13.809 0.043 A 52 ILE CG1 C 13 27.808 0.026 A 52 ILE CG2 C 13 18.689 0.043 A 52 ILE N N 15 123.543 0.026 A 53 LYS H H 1 8.442 0.005 A 53 LYS HA H 1 4.418 0.007 A 53 LYS HBy H 1 1.936 0.007 A 53 LYS HBx H 1 1.770 0.004 A 53 LYS HD2 H 1 1.717 0.003 A 53 LYS HD3 H 1 1.717 0.003 A 53 LYS HE2 H 1 2.971 0.003 A 53 LYS HE3 H 1 2.971 0.003 A 53 LYS HGy H 1 1.539 0.003 A 53 LYS HGx H 1 1.355 0.004 A 53 LYS C C 13 176.204 . A 53 LYS CA C 13 56.273 0.079 A 53 LYS CB C 13 32.239 0.056 A 53 LYS CD C 13 29.565 0.058 A 53 LYS CE C 13 42.133 0.039 A 53 LYS CG C 13 25.517 0.05 A 53 LYS N N 15 127.671 0.014 A 54 MET H H 1 8.156 0.001 A 54 MET HA H 1 4.565 0.002 A 54 MET HBx H 1 1.850 0.006 A 54 MET HBy H 1 1.981 0.002 A 54 MET HE% H 1 1.841 0.003 A 54 MET HGy H 1 2.735 0.004 A 54 MET HGx H 1 2.110 0.005 A 54 MET C C 13 178.812 . A 54 MET CA C 13 55.632 0.067 A 54 MET CE C 13 16.074 0.035 A 54 MET CG C 13 31.000 0.035 A 54 MET N N 15 124.264 0.026 A 55 ALA H H 1 8.816 0.001 A 55 ALA HA H 1 4.138 0.011 A 55 ALA HB% H 1 1.463 0.002 A 55 ALA C C 13 178.775 . A 55 ALA CA C 13 55.027 0.074 A 55 ALA CB C 13 19.320 0.038 A 55 ALA N N 15 119.401 0.019 A 56 VAL H H 1 7.126 0.005 A 56 VAL HA H 1 4.558 0.006 A 56 VAL HB H 1 2.525 0.003 A 56 VAL HGx% H 1 0.915 0.006 A 56 VAL HGy% H 1 0.987 0.003 A 56 VAL C C 13 175.044 . A 56 VAL CA C 13 60.196 0.096 A 56 VAL CB C 13 31.832 0.03 A 56 VAL CGy C 13 21.522 0.036 A 56 VAL CGx C 13 19.011 0.03 A 56 VAL N N 15 106.427 0.018 A 57 CYS H H 1 7.407 0.005 A 57 CYS HB2 H 1 2.712 0.002 A 57 CYS HB3 H 1 2.712 0.002 A 57 CYS C C 13 173.804 . A 57 CYS CA C 13 58.190 0.005 A 57 CYS CB C 13 30.086 0.029 A 57 CYS N N 15 120.020 0.005 A 58 GLU H H 1 8.802 0.007 A 58 GLU HBx H 1 1.866 0.004 A 58 GLU HBy H 1 1.952 0.003 A 58 GLU HGy H 1 2.257 0.001 A 58 GLU HGx H 1 2.077 0.005 A 58 GLU C C 13 175.057 . A 58 GLU CA C 13 54.953 0.006 A 58 GLU CB C 13 31.854 0.046 A 58 GLU CG C 13 35.870 0.061 A 58 GLU N N 15 124.517 0.025 A 59 ILE H H 1 8.698 0.003 A 59 ILE HA H 1 4.616 0.002 A 59 ILE HB H 1 1.628 0.005 A 59 ILE HD1% H 1 0.672 0.001 A 59 ILE HG1y H 1 1.468 0.02 A 59 ILE HG1x H 1 0.747 0.02 A 59 ILE HG2% H 1 0.719 0.002 A 59 ILE C C 13 175.506 . A 59 ILE CA C 13 60.684 0.053 A 59 ILE CB C 13 39.690 0.03 A 59 ILE CD1 C 13 17.532 0.04 A 59 ILE CG1 C 13 27.758 0.017 A 59 ILE CG2 C 13 14.712 0.036 A 59 ILE N N 15 124.328 0.011 A 60 LYS H H 1 9.193 0.004 A 60 LYS HBx H 1 1.621 0.004 A 60 LYS HBy H 1 1.752 0.009 A 60 LYS HD2 H 1 1.588 0.003 A 60 LYS HD3 H 1 1.588 0.003 A 60 LYS HEy H 1 2.878 0.002 A 60 LYS HEx H 1 2.839 0.001 A 60 LYS HGy H 1 1.307 0.008 A 60 LYS HGx H 1 1.202 0.004 A 60 LYS C C 13 175.590 . A 60 LYS CA C 13 54.620 0.008 A 60 LYS CB C 13 34.844 0.032 A 60 LYS CD C 13 29.021 0.027 A 60 LYS CE C 13 42.018 0.036 A 60 LYS CG C 13 24.706 0.03 A 60 LYS N N 15 128.368 0.017 A 61 VAL H H 1 8.793 0.006 A 61 VAL HA H 1 4.002 0.014 A 61 VAL HB H 1 2.073 0.008 A 61 VAL HGx% H 1 0.902 0.002 A 61 VAL HGy% H 1 0.900 0.004 A 61 VAL C C 13 175.339 . A 61 VAL CA C 13 62.356 0.097 A 61 VAL CB C 13 33.123 0.06 A 61 VAL CGx C 13 21.367 0.048 A 61 VAL CGy C 13 22.117 0.069 A 61 VAL N N 15 125.010 0.014 A 62 HIS H H 1 7.462 0.006 A 62 HIS HA H 1 4.323 0.003 A 62 HIS HBx H 1 2.799 0.004 A 62 HIS HBy H 1 3.520 0.012 A 62 HIS HE1 H 1 7.875 0.02 A 62 HIS CA C 13 58.696 0.124 A 62 HIS CB C 13 32.870 0.056 A 62 HIS N N 15 128.494 0.022 A 63 SER HA H 1 4.217 0.02 A 63 SER HBx H 1 3.839 0.022 A 63 SER HBy H 1 3.859 0.013 A 63 SER CA C 13 60.341 . A 63 SER CB C 13 63.582 0.032 A 64 ALA HA H 1 4.567 0.013 A 64 ALA HB% H 1 1.453 0.004 A 64 ALA C C 13 176.765 . A 64 ALA CA C 13 53.098 0.01 A 64 ALA CB C 13 20.953 0.057 A 65 ASP H H 1 8.969 0.002 A 65 ASP HBy H 1 2.317 0.001 A 65 ASP HBx H 1 2.209 0.005 A 65 ASP C C 13 176.373 . A 65 ASP CB C 13 40.931 0.048 A 65 ASP N N 15 121.526 0.013 A 66 ASN H H 1 8.407 0.002 A 66 ASN HA H 1 4.534 0.005 A 66 ASN HBx H 1 2.904 0.005 A 66 ASN HBy H 1 3.088 0.004 A 66 ASN HD21 H 1 6.768 0.004 A 66 ASN HD22 H 1 7.461 0.005 A 66 ASN C C 13 174.154 . A 66 ASN CA C 13 54.138 0.013 A 66 ASN CB C 13 37.392 0.031 A 66 ASN N N 15 122.414 0.024 A 66 ASN ND2 N 15 110.238 0.002 A 67 THR H H 1 8.368 0.003 A 67 THR HA H 1 4.240 0.007 A 67 THR HB H 1 4.422 0.005 A 67 THR HG2% H 1 0.840 0.002 A 67 THR C C 13 175.932 . A 67 THR CA C 13 62.196 0.087 A 67 THR CB C 13 69.977 0.033 A 67 THR CG2 C 13 21.959 0.041 A 67 THR N N 15 104.908 0.064 A 68 ARG H H 1 7.541 0.003 A 68 ARG HA H 1 5.055 0.004 A 68 ARG HBx H 1 1.451 0.004 A 68 ARG HBy H 1 2.000 0.006 A 68 ARG HDx H 1 2.431 0.005 A 68 ARG HDy H 1 2.851 0.003 A 68 ARG HGx H 1 1.320 0.02 A 68 ARG HGy H 1 1.599 0.02 A 68 ARG C C 13 176.355 . A 68 ARG CA C 13 56.412 0.144 A 68 ARG CB C 13 34.378 0.04 A 68 ARG CD C 13 44.234 0.068 A 68 ARG CG C 13 27.518 0.046 A 68 ARG N N 15 122.715 0.009 A 69 MET H H 1 9.035 0.002 A 69 MET HA H 1 5.025 0.002 A 69 MET HB2 H 1 1.937 0.009 A 69 MET HB3 H 1 1.937 0.009 A 69 MET HE% H 1 1.611 0.001 A 69 MET C C 13 172.526 . A 69 MET CA C 13 55.311 0.063 A 69 MET CB C 13 37.154 0.045 A 69 MET CE C 13 18.474 0.02 A 69 MET N N 15 120.293 0.016 A 70 GLU H H 1 9.045 0.002 A 70 GLU HA H 1 5.398 0.005 A 70 GLU HB2 H 1 2.007 0.004 A 70 GLU HB3 H 1 2.001 0.017 A 70 GLU HGy H 1 2.203 0.002 A 70 GLU HGx H 1 2.128 0.003 A 70 GLU C C 13 173.671 . A 70 GLU CA C 13 54.472 0.077 A 70 GLU CB C 13 33.851 0.058 A 70 GLU CG C 13 32.066 0.04 A 70 GLU N N 15 121.814 0.016 A 71 LEU H H 1 8.695 0.006 A 71 LEU HA H 1 5.177 0.007 A 71 LEU HBy H 1 1.502 0.007 A 71 LEU HBx H 1 1.267 0.006 A 71 LEU HDx% H 1 0.602 0.003 A 71 LEU HDy% H 1 0.680 0.003 A 71 LEU HG H 1 1.500 0.008 A 71 LEU C C 13 175.506 . A 71 LEU CA C 13 53.288 0.075 A 71 LEU CB C 13 43.749 0.075 A 71 LEU CDy C 13 25.695 0.052 A 71 LEU CDx C 13 25.026 0.04 A 71 LEU CG C 13 27.846 0.054 A 71 LEU N N 15 123.399 0.011 A 72 ILE H H 1 8.978 0.004 A 72 ILE HA H 1 4.253 0.005 A 72 ILE HB H 1 1.667 0.003 A 72 ILE HD1% H 1 0.609 0.019 A 72 ILE HG1x H 1 0.428 0.007 A 72 ILE HG1y H 1 1.098 0.002 A 72 ILE HG2% H 1 0.594 0.003 A 72 ILE C C 13 175.469 . A 72 ILE CA C 13 60.828 0.074 A 72 ILE CB C 13 39.898 0.071 A 72 ILE CD1 C 13 17.600 0.042 A 72 ILE CG1 C 13 27.341 0.058 A 72 ILE CG2 C 13 14.013 0.074 A 72 ILE N N 15 124.314 0.012 A 73 ILE H H 1 8.625 0.004 A 73 ILE HB H 1 1.772 0.003 A 73 ILE HD1% H 1 0.890 0.005 A 73 ILE HG1x H 1 1.025 0.004 A 73 ILE HG1y H 1 1.435 0.004 A 73 ILE HG2% H 1 0.778 0.011 A 73 ILE CB C 13 40.058 0.043 A 73 ILE CD1 C 13 17.728 0.04 A 73 ILE CG1 C 13 27.295 0.024 A 73 ILE CG2 C 13 14.533 0.052 A 73 ILE N N 15 129.140 0.014 A 74 PRO HA H 1 4.228 0.009 A 74 PRO HBy H 1 2.313 0.003 A 74 PRO HBx H 1 1.933 0.004 A 74 PRO HDy H 1 4.045 0.004 A 74 PRO HDx H 1 3.708 0.005 A 74 PRO HGx H 1 1.968 0.005 A 74 PRO HGy H 1 2.157 0.003 A 74 PRO CA C 13 64.456 0.07 A 74 PRO CB C 13 31.773 0.081 A 74 PRO CD C 13 51.759 0.029 A 74 PRO CG C 13 27.767 0.042 A 75 GLY H H 1 8.703 0.02 A 75 GLY HAy H 1 4.225 0.001 A 75 GLY HAx H 1 3.719 0.02 A 75 GLY C C 13 174.005 . A 75 GLY CA C 13 45.558 0.02 A 75 GLY N N 15 112.573 . A 76 GLU H H 1 8.197 0.01 A 76 GLU HGx H 1 2.146 0.004 A 76 GLU HGy H 1 2.248 0.004 A 76 GLU C C 13 175.916 . A 76 GLU CA C 13 56.271 0.008 A 76 GLU CG C 13 36.080 0.036 A 76 GLU N N 15 119.016 0.009 A 77 GLN H H 1 8.285 0.002 A 77 GLN HA H 1 4.525 0.001 A 77 GLN HBx H 1 1.823 0.009 A 77 GLN HBy H 1 1.912 0.002 A 77 GLN HE21 H 1 7.569 0.002 A 77 GLN HE22 H 1 6.931 0.009 A 77 GLN HG2 H 1 2.301 0.005 A 77 GLN HG3 H 1 2.301 0.005 A 77 GLN CA C 13 55.704 0.092 A 77 GLN CB C 13 30.981 0.0 A 77 GLN CG C 13 34.025 0.036 A 77 GLN N N 15 118.255 0.017 A 77 GLN NE2 N 15 112.242 0.0 A 78 HIS H H 1 8.560 0.02 A 78 HIS C C 13 173.839 . A 78 HIS CA C 13 55.485 . A 78 HIS N N 15 121.575 . A 79 PHE H H 1 9.087 0.003 A 79 PHE HBx H 1 2.895 0.006 A 79 PHE HBy H 1 3.276 0.007 A 79 PHE HDx H 1 7.136 0.006 A 79 PHE HDy H 1 7.136 0.006 A 79 PHE C C 13 174.351 . A 79 PHE CA C 13 56.285 . A 79 PHE CB C 13 40.770 0.069 A 79 PHE N N 15 125.005 0.021 A 80 TYR H H 1 8.866 0.001 A 80 TYR HA H 1 5.177 0.004 A 80 TYR HBx H 1 2.998 0.002 A 80 TYR HBy H 1 3.175 0.008 A 80 TYR C C 13 175.253 . A 80 TYR CA C 13 56.763 0.053 A 80 TYR CB C 13 39.769 0.063 A 80 TYR N N 15 124.361 0.009 A 81 MET H H 1 8.836 0.005 A 81 MET HA H 1 5.953 0.006 A 81 MET HBy H 1 1.725 0.005 A 81 MET HBx H 1 1.654 0.004 A 81 MET HE% H 1 1.276 0.001 A 81 MET HGx H 1 1.997 0.005 A 81 MET HGy H 1 2.162 0.005 A 81 MET C C 13 175.038 . A 81 MET CA C 13 54.451 0.077 A 81 MET CB C 13 38.697 0.059 A 81 MET CE C 13 17.187 0.027 A 81 MET CG C 13 31.920 0.048 A 81 MET N N 15 120.306 0.012 A 82 LYS H H 1 9.098 0.003 A 82 LYS HBy H 1 0.969 0.012 A 82 LYS HBx H 1 0.672 0.007 A 82 LYS HDx H 1 -0.015 0.009 A 82 LYS HDy H 1 0.250 0.005 A 82 LYS HEx H 1 1.771 0.003 A 82 LYS HEy H 1 1.876 0.002 A 82 LYS HG2 H 1 0.707 0.004 A 82 LYS HG3 H 1 0.707 0.004 A 82 LYS C C 13 174.355 . A 82 LYS CA C 13 55.350 0.015 A 82 LYS CB C 13 36.179 0.043 A 82 LYS CD C 13 28.511 0.041 A 82 LYS CE C 13 40.993 0.049 A 82 LYS CG C 13 23.881 0.041 A 82 LYS N N 15 121.222 0.006 A 83 ALA H H 1 8.732 0.003 A 83 ALA HA H 1 4.760 0.02 A 83 ALA HB% H 1 1.428 0.005 A 83 ALA C C 13 177.120 . A 83 ALA CA C 13 49.943 0.008 A 83 ALA CB C 13 21.326 0.039 A 83 ALA N N 15 126.680 0.015 A 84 VAL H H 1 9.088 0.002 A 84 VAL HA H 1 3.815 0.002 A 84 VAL HB H 1 2.167 0.002 A 84 VAL HGx% H 1 1.105 0.003 A 84 VAL HGy% H 1 1.071 0.007 A 84 VAL C C 13 175.637 . A 84 VAL CA C 13 64.889 0.074 A 84 VAL CB C 13 32.025 0.025 A 84 VAL CGx C 13 21.045 0.012 A 84 VAL CGy C 13 21.075 0.023 A 84 VAL N N 15 115.360 0.009 A 85 ASN H H 1 7.255 0.003 A 85 ASN HA H 1 4.445 0.003 A 85 ASN HBy H 1 3.196 0.02 A 85 ASN HBx H 1 3.108 0.02 A 85 ASN HD21 H 1 6.972 0.02 A 85 ASN HD22 H 1 7.595 0.02 A 85 ASN CA C 13 52.228 0.06 A 85 ASN CB C 13 39.666 0.065 A 85 ASN N N 15 109.626 0.006 A 85 ASN ND2 N 15 113.564 0.01 A 86 ALA H H 1 8.640 0.02 A 86 ALA HA H 1 4.174 0.006 A 86 ALA HB% H 1 1.377 0.004 A 86 ALA C C 13 180.174 . A 86 ALA CA C 13 55.112 0.031 A 86 ALA CB C 13 18.729 0.044 A 86 ALA N N 15 122.120 . A 87 ALA H H 1 8.360 0.001 A 87 ALA HA H 1 4.181 0.002 A 87 ALA HB% H 1 1.445 0.002 A 87 ALA C C 13 181.170 . A 87 ALA CA C 13 55.166 0.088 A 87 ALA CB C 13 17.654 0.023 A 87 ALA N N 15 124.182 0.037 A 88 GLU H H 1 8.720 0.002 A 88 GLU HA H 1 4.238 0.006 A 88 GLU HBx H 1 2.067 0.003 A 88 GLU HBy H 1 2.293 0.004 A 88 GLU HG2 H 1 2.525 0.002 A 88 GLU HG3 H 1 2.525 0.002 A 88 GLU C C 13 178.862 . A 88 GLU CA C 13 59.248 0.077 A 88 GLU CB C 13 29.937 0.02 A 88 GLU CG C 13 36.931 0.047 A 88 GLU N N 15 119.969 0.005 A 89 ARG H H 1 7.908 0.004 A 89 ARG HA H 1 3.759 0.004 A 89 ARG HBx H 1 1.678 0.005 A 89 ARG HBy H 1 2.329 0.012 A 89 ARG C C 13 177.540 . A 89 ARG CA C 13 61.154 0.07 A 89 ARG CB C 13 29.703 0.036 A 89 ARG N N 15 119.258 0.008 A 90 GLN H H 1 8.030 0.002 A 90 GLN HA H 1 4.009 0.003 A 90 GLN HBx H 1 2.211 0.006 A 90 GLN HBy H 1 2.246 0.003 A 90 GLN HE21 H 1 6.831 0.003 A 90 GLN HE22 H 1 7.307 0.01 A 90 GLN HGx H 1 2.459 0.006 A 90 GLN HGy H 1 2.490 0.005 A 90 GLN C C 13 177.400 . A 90 GLN CA C 13 59.104 0.06 A 90 GLN CB C 13 27.780 0.031 A 90 GLN CG C 13 32.962 0.055 A 90 GLN N N 15 118.561 0.006 A 90 GLN NE2 N 15 111.445 0.001 A 91 ARG H H 1 7.673 0.003 A 91 ARG HA H 1 3.938 0.003 A 91 ARG HBx H 1 1.785 0.011 A 91 ARG HBy H 1 1.869 0.004 A 91 ARG HD2 H 1 3.177 0.002 A 91 ARG HD3 H 1 3.177 0.002 A 91 ARG HGy H 1 1.744 0.003 A 91 ARG HGx H 1 1.471 0.003 A 91 ARG C C 13 179.997 . A 91 ARG CA C 13 59.787 0.064 A 91 ARG CB C 13 30.409 0.035 A 91 ARG CD C 13 43.672 0.058 A 91 ARG CG C 13 27.942 0.019 A 91 ARG N N 15 118.108 0.005 A 92 TRP H H 1 7.863 0.004 A 92 TRP HA H 1 4.093 0.004 A 92 TRP HBy H 1 3.195 0.006 A 92 TRP HBx H 1 2.873 0.004 A 92 TRP HD1 H 1 7.234 0.013 A 92 TRP HE1 H 1 10.578 0.0 A 92 TRP HE3 H 1 7.101 0.004 A 92 TRP HZ2 H 1 6.603 0.004 A 92 TRP HZ3 H 1 6.575 0.02 A 92 TRP C C 13 178.123 . A 92 TRP CA C 13 61.653 0.076 A 92 TRP CB C 13 28.981 0.059 A 92 TRP N N 15 119.458 0.017 A 92 TRP NE1 N 15 130.545 . A 93 LEU H H 1 8.974 0.005 A 93 LEU HA H 1 3.957 0.008 A 93 LEU HBx H 1 1.469 0.002 A 93 LEU HBy H 1 1.924 0.004 A 93 LEU HDx% H 1 0.842 0.002 A 93 LEU HDy% H 1 0.765 0.004 A 93 LEU HG H 1 1.855 0.001 A 93 LEU C C 13 180.904 . A 93 LEU CA C 13 58.720 0.061 A 93 LEU CB C 13 41.501 0.04 A 93 LEU CDy C 13 26.402 0.072 A 93 LEU CDx C 13 23.829 0.037 A 93 LEU CG C 13 26.604 0.031 A 93 LEU N N 15 120.008 0.002 A 94 VAL H H 1 8.189 0.004 A 94 VAL HA H 1 3.661 0.002 A 94 VAL HB H 1 2.062 0.003 A 94 VAL HGx% H 1 0.904 0.003 A 94 VAL HGy% H 1 1.074 0.002 A 94 VAL C C 13 178.715 . A 94 VAL CA C 13 66.320 0.073 A 94 VAL CB C 13 31.862 0.024 A 94 VAL CGx C 13 21.004 0.103 A 94 VAL CGy C 13 22.773 0.017 A 94 VAL N N 15 120.390 0.008 A 95 ALA H H 1 7.281 0.003 A 95 ALA HA H 1 4.090 0.003 A 95 ALA HB% H 1 1.261 0.003 A 95 ALA C C 13 180.143 . A 95 ALA CA C 13 55.408 0.068 A 95 ALA CB C 13 18.829 0.024 A 95 ALA N N 15 123.931 0.015 A 96 LEU H H 1 9.338 0.005 A 96 LEU HA H 1 3.984 0.004 A 96 LEU HBx H 1 1.363 0.004 A 96 LEU HBy H 1 1.898 0.005 A 96 LEU HDx% H 1 1.096 0.002 A 96 LEU HDy% H 1 0.790 0.004 A 96 LEU HG H 1 2.271 0.017 A 96 LEU C C 13 179.370 . A 96 LEU CA C 13 57.757 0.07 A 96 LEU CB C 13 41.838 0.055 A 96 LEU CDx C 13 24.205 0.032 A 96 LEU CDy C 13 26.127 0.043 A 96 LEU CG C 13 26.871 0.042 A 96 LEU N N 15 118.121 0.012 A 97 GLY H H 1 8.228 0.004 A 97 GLY HAx H 1 3.798 0.006 A 97 GLY HAy H 1 3.921 0.005 A 97 GLY C C 13 176.391 . A 97 GLY CA C 13 46.627 0.072 A 97 GLY N N 15 105.829 0.006 A 98 SER H H 1 7.991 0.004 A 98 SER HA H 1 4.353 0.006 A 98 SER HBy H 1 3.976 0.016 A 98 SER HBx H 1 3.957 0.005 A 98 SER C C 13 176.016 . A 98 SER CA C 13 60.876 0.098 A 98 SER CB C 13 63.110 0.032 A 98 SER N N 15 117.592 0.02 A 99 SER H H 1 7.966 0.001 A 99 SER HA H 1 4.334 0.003 A 99 SER HBy H 1 3.965 0.011 A 99 SER HBx H 1 3.910 0.015 A 99 SER C C 13 175.349 . A 99 SER CA C 13 60.584 0.155 A 99 SER CB C 13 63.867 0.075 A 99 SER N N 15 116.943 0.019 A 100 LYS H H 1 7.708 0.001 A 100 LYS HA H 1 4.063 0.011 A 100 LYS HBy H 1 1.943 0.007 A 100 LYS HBx H 1 1.770 0.004 A 100 LYS HDx H 1 1.697 0.001 A 100 LYS HDy H 1 1.748 0.02 A 100 LYS HEx H 1 3.076 0.006 A 100 LYS HEy H 1 3.106 0.002 A 100 LYS HGy H 1 1.584 0.002 A 100 LYS HGx H 1 1.372 0.003 A 100 LYS C C 13 176.818 . A 100 LYS CA C 13 57.839 0.125 A 100 LYS CB C 13 32.238 0.056 A 100 LYS CD C 13 28.937 0.045 A 100 LYS CE C 13 42.030 0.033 A 100 LYS CG C 13 24.757 0.037 A 100 LYS N N 15 119.689 0.019 A 101 ALA H H 1 7.826 0.002 A 101 ALA HA H 1 4.291 0.003 A 101 ALA HB% H 1 1.424 0.003 A 101 ALA C C 13 177.833 . A 101 ALA CA C 13 53.194 0.07 A 101 ALA CB C 13 19.071 0.06 A 101 ALA N N 15 122.140 0.007 A 102 CYS H H 1 7.997 0.003 A 102 CYS HA H 1 4.454 0.004 A 102 CYS HB2 H 1 2.962 0.001 A 102 CYS HB3 H 1 2.962 0.001 A 102 CYS C C 13 174.839 . A 102 CYS CA C 13 59.257 0.125 A 102 CYS CB C 13 27.686 0.031 A 102 CYS N N 15 117.529 0.009 A 103 LEU H H 1 8.201 0.006 A 103 LEU HA H 1 4.475 0.003 A 103 LEU HBx H 1 1.623 0.005 A 103 LEU HBy H 1 1.724 0.003 A 103 LEU HDx% H 1 0.872 0.001 A 103 LEU HDy% H 1 0.924 0.002 A 103 LEU HG H 1 1.718 0.005 A 103 LEU C C 13 177.470 . A 103 LEU CA C 13 55.411 0.09 A 103 LEU CB C 13 42.307 0.021 A 103 LEU CDx C 13 23.452 0.06 A 103 LEU CDy C 13 25.414 0.082 A 103 LEU CG C 13 27.018 0.041 A 103 LEU N N 15 124.244 0.018 A 104 THR H H 1 8.084 0.001 A 104 THR HA H 1 4.359 0.002 A 104 THR HB H 1 4.245 0.004 A 104 THR HG2% H 1 1.192 0.003 A 104 THR C C 13 174.069 . A 104 THR CA C 13 61.954 0.076 A 104 THR CB C 13 69.880 0.077 A 104 THR CG2 C 13 21.668 0.045 A 104 THR N N 15 114.544 0.016 A 105 ASP H H 1 8.340 0.001 A 105 ASP HBx H 1 2.646 0.003 A 105 ASP HBy H 1 2.754 0.004 A 105 ASP C C 13 176.348 . A 105 ASP CA C 13 54.445 0.004 A 105 ASP CB C 13 41.245 0.05 A 105 ASP N N 15 123.310 0.02 A 106 THR H H 1 8.127 0.002 A 106 THR HA H 1 4.329 0.001 A 106 THR HB H 1 4.255 0.005 A 106 THR HG2% H 1 1.190 0.002 A 106 THR C C 13 174.532 . A 106 THR CA C 13 62.010 0.068 A 106 THR CB C 13 69.646 0.028 A 106 THR CG2 C 13 21.614 0.051 A 106 THR N N 15 115.066 0.008 A 107 ARG H H 1 8.358 0.001 A 107 ARG HA H 1 4.419 0.006 A 107 ARG HBx H 1 1.821 0.009 A 107 ARG HBy H 1 1.913 0.002 A 107 ARG C C 13 175.750 . A 107 ARG CA C 13 56.332 0.098 A 107 ARG CB C 13 30.732 0.062 A 107 ARG N N 15 124.233 0.036 A 108 THR H H 1 7.804 0.001 A 108 THR HA H 1 4.131 0.002 A 108 THR HB H 1 4.222 0.0 A 108 THR HG2% H 1 1.148 0.004 A 108 THR CA C 13 63.167 0.017 A 108 THR CB C 13 70.707 0.009 A 108 THR CG2 C 13 21.990 0.03 A 108 THR N N 15 120.534 0.006 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 70 GLU HA A 70 GLU HB2 1.0 1.650 3.002 2 1 A 70 GLU HA A 70 GLU HB3 1.0 1.650 3.002 3 2 A 90 GLN HA A 90 GLN HGx 1.0 1.605 2.841 4 2 A 90 GLN HA A 90 GLN HGy 1.0 1.605 2.841 5 3 A 55 ALA HB% A 53 LYS HE3 1.0 1.731 3.333 6 3 A 55 ALA HB% A 53 LYS HE2 1.0 1.731 3.333 7 4 A 96 LEU HA A 96 LEU HDx% 1.0 1.597 2.813 8 4 A 96 LEU HA A 30 LEU HG 1.0 1.597 2.813 9 5 A 53 LYS HA A 53 LYS HBy 1.0 1.571 2.723 10 5 A 107 ARG HA A 107 ARG HBx 1.0 1.571 2.723 11 6 A 53 LYS HA A 53 LYS HBx 1.0 1.626 2.912 12 6 A 107 ARG HA A 107 ARG HBy 1.0 1.626 2.912 13 7 A 63 SER HA A 63 SER HBx 1.0 1.491 2.473 14 7 A 63 SER HA A 63 SER HBy 1.0 1.491 2.473 15 8 A 91 ARG HA A 91 ARG HD2 1.0 1.813 3.741 16 8 A 91 ARG HA A 91 ARG HD3 1.0 1.813 3.741 17 9 A 91 ARG HA A 91 ARG HGy 1.0 1.573 2.729 18 9 A 91 ARG HA A 91 ARG HBy 1.0 1.573 2.729 19 10 A 41 GLN HA A 41 GLN HE22 1.0 1.862 4.036 20 10 A 41 GLN HA A 27 TRP HD1 1.0 1.862 4.036 21 11 A 7 GLU HA A 7 GLU HB3 1.0 1.524 2.576 22 11 A 7 GLU HA A 7 GLU HB2 1.0 1.524 2.576 23 12 A 46 LYS HA A 46 LYS HG3 1.0 1.628 2.924 24 12 A 46 LYS HA A 46 LYS HG2 1.0 1.628 2.924 25 13 A 46 LYS HA A 46 LYS HB3 1.0 1.494 2.484 26 13 A 46 LYS HA A 46 LYS HB2 1.0 1.494 2.484 27 14 A 51 SER HBy A 51 SER HA 1.0 1.795 3.643 28 14 A 36 SER HA A 51 SER HBy 1.0 1.795 3.643 29 15 A 7 GLU HB2 A 8 PHE H 1.0 1.863 4.045 30 15 A 7 GLU HB3 A 8 PHE H 1.0 1.863 4.045 31 16 A 7 GLU HB2 A 7 GLU H 1.0 1.943 4.707 32 16 A 7 GLU HB3 A 7 GLU H 1.0 1.943 4.707 33 17 A 88 GLU HG3 A 89 ARG H 1.0 1.795 3.647 34 17 A 88 GLU HG2 A 89 ARG H 1.0 1.795 3.647 35 18 A 88 GLU HG3 A 92 TRP HE1 1.0 1.865 4.051 36 18 A 88 GLU HG2 A 92 TRP HE1 1.0 1.865 4.051 37 19 A 4 GLY H A 4 GLY HA2 1.0 1.974 5.122 38 19 A 4 GLY HA3 A 4 GLY H 1.0 1.974 5.122 39 20 A 10 GLU HA A 92 TRP HZ3 1.0 1.784 3.590 40 20 A 10 GLU HA A 92 TRP HZ2 1.0 1.784 3.590 41 21 A 9 MET H A 9 MET HG2 1.0 1.968 5.016 42 21 A 9 MET HG3 A 9 MET H 1.0 1.968 5.016 43 22 A 9 MET HG2 A 10 GLU H 1.0 1.920 4.472 44 22 A 9 MET HG3 A 10 GLU H 1.0 1.920 4.472 45 23 A 92 TRP HZ3 A 9 MET HG2 1.0 1.990 5.432 46 23 A 92 TRP HZ3 A 9 MET HG3 1.0 1.990 5.432 47 24 A 9 MET HG2 A 9 MET HA 1.0 1.860 4.022 48 24 A 9 MET HG3 A 9 MET HA 1.0 1.860 4.022 49 25 A 9 MET HG3 A 9 MET HBx 1.0 1.741 3.377 50 25 A 9 MET HG2 A 9 MET HBx 1.0 1.741 3.377 51 26 A 9 MET HG2 A 30 LEU HD2% 1.0 1.932 4.592 52 26 A 9 MET HG3 A 30 LEU HD2% 1.0 1.932 4.592 53 27 A 10 GLU HGy A 27 TRP HH2 1.0 1.876 4.130 54 27 A 10 GLU HGy A 8 PHE HDy 1.0 1.876 4.130 55 27 A 10 GLU HGy A 8 PHE HDx 1.0 1.876 4.130 56 28 A 10 GLU HBx A 27 TRP HZ3 1.0 1.923 4.503 57 28 A 27 TRP HH2 A 10 GLU HBx 1.0 1.923 4.503 58 29 A 12 VAL HGx% A 26 ARG H 1.0 1.677 3.111 59 29 A 12 VAL HGx% A 14 TYR H 1.0 1.677 3.111 60 30 A 12 VAL HGx% A 11 GLY HAx 1.0 1.895 4.275 61 30 A 12 VAL HGx% A 14 TYR HBx 1.0 1.895 4.275 62 31 A 12 VAL HGy% A 27 TRP HB2 1.0 1.850 3.960 63 31 A 12 VAL HGy% A 27 TRP HB3 1.0 1.850 3.960 64 32 A 13 LEU HBy A 14 TYR H 1.0 1.861 4.031 65 32 A 13 LEU HBy A 28 PHE H 1.0 1.861 4.031 66 32 A 13 LEU HBy A 26 ARG H 1.0 1.861 4.031 67 33 A 13 LEU HBx A 14 TYR H 1.0 1.867 4.071 68 33 A 13 LEU HBx A 28 PHE H 1.0 1.867 4.071 69 34 A 13 LEU HDy% A 84 VAL H 1.0 1.757 3.453 70 34 A 13 LEU HDy% A 82 LYS H 1.0 1.757 3.453 71 35 A 14 TYR HA A 14 TYR H 1.0 1.809 3.721 72 35 A 14 TYR HA A 26 ARG H 1.0 1.809 3.721 73 36 A 15 LYS HA A 15 LYS HG2 1.0 1.843 3.915 74 36 A 15 LYS HA A 15 LYS HG3 1.0 1.843 3.915 75 37 A 15 LYS HG3 A 15 LYS HBx 1.0 1.775 3.539 76 37 A 15 LYS HG2 A 15 LYS HBx 1.0 1.775 3.539 77 38 A 15 LYS HG2 A 15 LYS HBy 1.0 1.678 3.114 78 38 A 15 LYS HG3 A 15 LYS HBy 1.0 1.678 3.114 79 39 A 15 LYS HG2 A 15 LYS HDy 1.0 1.692 3.170 80 39 A 15 LYS HG3 A 15 LYS HDy 1.0 1.692 3.170 81 40 A 15 LYS HG2 A 15 LYS HDx 1.0 1.754 3.444 82 40 A 15 LYS HG3 A 15 LYS HDx 1.0 1.754 3.444 83 41 A 15 LYS HG2 A 15 LYS HEx 1.0 1.842 3.914 84 41 A 15 LYS HG3 A 15 LYS HEx 1.0 1.842 3.914 85 42 A 15 LYS HG2 A 15 LYS HEy 1.0 1.849 3.953 86 42 A 15 LYS HG3 A 15 LYS HEy 1.0 1.849 3.953 87 43 A 19 TYR HA A 19 TYR HB3 1.0 1.526 2.580 88 43 A 19 TYR HA A 19 TYR HB2 1.0 1.526 2.580 89 44 A 21 THR HA A 21 THR HG2% 1.0 1.380 2.166 90 44 A 21 THR HG2% A 21 THR HB 1.0 1.380 2.166 91 45 A 27 TRP HB3 A 27 TRP HA 1.0 1.772 3.526 92 45 A 27 TRP HB2 A 27 TRP HA 1.0 1.772 3.526 93 46 A 27 TRP HA A 27 TRP HE3 1.0 1.802 3.684 94 46 A 68 ARG HA A 68 ARG H 1.0 1.802 3.684 95 47 A 27 TRP HB2 A 27 TRP HE3 1.0 1.862 4.042 96 47 A 27 TRP HB3 A 27 TRP HE3 1.0 1.862 4.042 97 48 A 27 TRP HB2 A 27 TRP H 1.0 1.842 3.910 98 48 A 27 TRP HB3 A 27 TRP H 1.0 1.842 3.910 99 49 A 35 LEU HBy A 35 LEU HDy% 1.0 1.685 3.139 100 49 A 30 LEU HG A 30 LEU HBx 1.0 1.685 3.139 101 50 A 30 LEU HBy A 96 LEU HDy% 1.0 1.762 3.480 102 50 A 30 LEU HBy A 35 LEU HDx% 1.0 1.762 3.480 103 51 A 30 LEU HBx A 35 LEU HDx% 1.0 1.758 3.456 104 51 A 35 LEU HBy A 35 LEU HDx% 1.0 1.758 3.456 105 52 A 96 LEU HA A 30 LEU HD2% 1.0 1.721 3.293 106 52 A 96 LEU HA A 30 LEU HD1% 1.0 1.721 3.293 107 53 A 30 LEU HD2% A 33 GLY H 1.0 1.789 3.611 108 53 A 30 LEU HD1% A 33 GLY H 1.0 1.789 3.611 109 54 A 30 LEU HD1% A 30 LEU H 1.0 1.886 4.206 110 54 A 30 LEU HD2% A 30 LEU H 1.0 1.886 4.206 111 55 A 31 ASP HA A 31 ASP HB3 1.0 1.640 2.968 112 55 A 31 ASP HA A 31 ASP HB2 1.0 1.640 2.968 113 56 A 31 ASP HB3 A 29 VAL HGy% 1.0 1.771 3.523 114 56 A 31 ASP HB2 A 29 VAL HGy% 1.0 1.771 3.523 115 57 A 8 PHE HDy A 31 ASP HB3 1.0 1.846 3.936 116 57 A 8 PHE HDx A 31 ASP HB3 1.0 1.846 3.936 117 57 A 8 PHE HDy A 31 ASP HB2 1.0 1.846 3.936 118 57 A 8 PHE HDx A 31 ASP HB2 1.0 1.846 3.936 119 58 A 31 ASP HB2 A 31 ASP H 1.0 1.895 4.275 120 58 A 31 ASP HB3 A 31 ASP H 1.0 1.895 4.275 121 59 A 59 ILE HD1% A 96 LEU HBx 1.0 1.614 2.870 122 59 A 59 ILE HD1% A 69 MET HB3 1.0 1.614 2.870 123 60 A 51 SER HA A 34 ILE HG2% 1.0 1.742 3.382 124 60 A 36 SER HA A 34 ILE HG2% 1.0 1.742 3.382 125 61 A 35 LEU HBy A 96 LEU HDy% 1.0 1.750 3.418 126 61 A 35 LEU HBy A 35 LEU HDx% 1.0 1.750 3.418 127 62 A 39 ASP HB3 A 40 SER H 1.0 1.756 3.450 128 62 A 39 ASP HB2 A 40 SER H 1.0 1.756 3.450 129 63 A 39 ASP HB3 A 39 ASP HA 1.0 1.755 3.445 130 63 A 39 ASP HB2 A 39 ASP HA 1.0 1.755 3.445 131 64 A 41 GLN HGy A 41 GLN HE21 1.0 1.722 3.296 132 64 A 27 TRP HH2 A 41 GLN HGy 1.0 1.722 3.296 133 65 A 44 VAL HGy% A 43 ASP HBy 1.0 1.802 3.682 134 65 A 38 TYR HBy A 44 VAL HGy% 1.0 1.802 3.682 135 66 A 45 CYS HA A 45 CYS HB3 1.0 1.469 2.407 136 66 A 45 CYS HA A 45 CYS HB2 1.0 1.469 2.407 137 67 A 102 CYS HA A 102 CYS HB3 1.0 1.464 2.394 138 67 A 102 CYS HA A 102 CYS HB2 1.0 1.464 2.394 139 68 A 45 CYS HB3 A 46 LYS H 1.0 1.855 3.991 140 68 A 45 CYS HB2 A 46 LYS H 1.0 1.855 3.991 141 69 A 45 CYS HB2 A 45 CYS H 1.0 1.902 4.328 142 69 A 45 CYS HB3 A 45 CYS H 1.0 1.902 4.328 143 70 A 45 CYS HB2 A 44 VAL HGx% 1.0 1.873 4.111 144 70 A 45 CYS HB3 A 44 VAL HGx% 1.0 1.873 4.111 145 71 A 61 VAL HB A 61 VAL HGx% 1.0 1.379 2.165 146 71 A 61 VAL HB A 61 VAL HGy% 1.0 1.379 2.165 147 72 A 46 LYS HB2 A 49 LYS HDx 1.0 1.667 3.069 148 72 A 46 LYS HB3 A 49 LYS HDx 1.0 1.667 3.069 149 73 A 46 LYS HG3 A 45 CYS HB3 1.0 1.675 3.099 150 73 A 46 LYS HG2 A 45 CYS HB2 1.0 1.675 3.099 151 73 A 46 LYS HG2 A 45 CYS HB3 1.0 1.675 3.099 152 74 A 46 LYS HG2 A 46 LYS HB2 1.0 1.578 2.746 153 74 A 46 LYS HG3 A 46 LYS HB3 1.0 1.578 2.746 154 74 A 46 LYS HG3 A 46 LYS HB2 1.0 1.578 2.746 155 74 A 46 LYS HG2 A 46 LYS HB3 1.0 1.578 2.746 156 75 A 46 LYS HB3 A 46 LYS HDx 1.0 1.624 2.908 157 75 A 46 LYS HB2 A 46 LYS HDx 1.0 1.624 2.908 158 76 A 46 LYS HB3 A 46 LYS HDy 1.0 1.641 2.971 159 76 A 46 LYS HB2 A 46 LYS HDy 1.0 1.641 2.971 160 77 A 46 LYS HG3 A 46 LYS HDx 1.0 1.554 2.668 161 77 A 46 LYS HG2 A 46 LYS HDx 1.0 1.554 2.668 162 78 A 46 LYS HG2 A 46 LYS HDy 1.0 1.599 2.819 163 78 A 46 LYS HG3 A 46 LYS HDy 1.0 1.599 2.819 164 79 A 45 CYS HB2 A 46 LYS HDy 1.0 1.570 2.720 165 79 A 45 CYS HB3 A 46 LYS HDy 1.0 1.570 2.720 166 80 A 46 LYS HA A 46 LYS HDy 1.0 1.848 3.944 167 80 A 45 CYS HA A 46 LYS HDy 1.0 1.848 3.944 168 81 A 49 LYS HBy A 49 LYS HE2 1.0 1.850 3.960 169 81 A 49 LYS HBy A 49 LYS HE3 1.0 1.850 3.960 170 82 A 49 LYS HE2 A 49 LYS HDy 1.0 1.592 2.796 171 82 A 49 LYS HE3 A 49 LYS HDy 1.0 1.592 2.796 172 83 A 49 LYS HDx A 49 LYS HGx 1.0 1.456 2.372 173 83 A 49 LYS HBy A 49 LYS HGx 1.0 1.456 2.372 174 84 A 49 LYS HDx A 49 LYS HGy 1.0 1.429 2.297 175 84 A 49 LYS HBy A 49 LYS HGy 1.0 1.429 2.297 176 85 A 49 LYS HE3 A 49 LYS HA 1.0 1.807 3.707 177 85 A 49 LYS HE2 A 49 LYS HA 1.0 1.807 3.707 178 86 A 49 LYS HDx A 49 LYS HE2 1.0 1.400 2.218 179 86 A 49 LYS HDx A 49 LYS HE3 1.0 1.400 2.218 180 87 A 49 LYS HE2 A 49 LYS HGy 1.0 1.585 2.771 181 87 A 49 LYS HE3 A 49 LYS HGy 1.0 1.585 2.771 182 88 A 49 LYS HE3 A 49 LYS HGx 1.0 1.599 2.817 183 88 A 49 LYS HE2 A 49 LYS HGx 1.0 1.599 2.817 184 89 A 49 LYS HE3 A 49 LYS HBx 1.0 1.757 3.453 185 89 A 49 LYS HE2 A 49 LYS HBx 1.0 1.757 3.453 186 90 A 3 LEU HBx A 3 LEU H 1.0 1.902 4.326 187 90 A 52 ILE HB A 53 LYS H 1.0 1.902 4.326 188 91 A 52 ILE HG1x A 52 ILE HG2% 1.0 1.523 2.569 189 91 A 52 ILE HG2% A 71 LEU HBx 1.0 1.523 2.569 190 92 A 53 LYS HA A 53 LYS HGy 1.0 1.763 3.487 191 92 A 53 LYS HA A 34 ILE HG1x 1.0 1.763 3.487 192 93 A 100 LYS HBy A 100 LYS HEx 1.0 1.842 3.906 193 93 A 100 LYS HBy A 100 LYS HEy 1.0 1.842 3.906 194 94 A 100 LYS HEx A 100 LYS HBx 1.0 1.768 3.512 195 94 A 100 LYS HEy A 100 LYS HBx 1.0 1.768 3.512 196 95 A 53 LYS HBy A 53 LYS HGx 1.0 1.619 2.887 197 95 A 100 LYS HBx A 100 LYS HGy 1.0 1.619 2.887 198 96 A 53 LYS HBx A 53 LYS HGx 1.0 1.645 2.987 199 96 A 100 LYS HBy A 100 LYS HGy 1.0 1.645 2.987 200 97 A 53 LYS HGy A 53 LYS HD2 1.0 1.371 2.145 201 97 A 53 LYS HGy A 53 LYS HD3 1.0 1.371 2.145 202 98 A 53 LYS HGx A 53 LYS HD2 1.0 1.485 2.457 203 98 A 53 LYS HGx A 53 LYS HD3 1.0 1.485 2.457 204 99 A 53 LYS HGy A 53 LYS HGx 1.0 1.407 2.235 205 99 A 34 ILE HG1x A 53 LYS HGx 1.0 1.407 2.235 206 100 A 53 LYS HGy A 73 ILE HD1% 1.0 1.761 3.473 207 100 A 53 LYS HGy A 34 ILE HD1% 1.0 1.761 3.473 208 101 A 53 LYS HA A 53 LYS HD3 1.0 1.859 4.017 209 101 A 53 LYS HA A 53 LYS HD2 1.0 1.859 4.017 210 102 A 53 LYS HBy A 53 LYS HD2 1.0 1.630 2.930 211 102 A 53 LYS HBy A 53 LYS HD3 1.0 1.630 2.930 212 103 A 53 LYS HD3 A 56 VAL HGx% 1.0 1.746 3.406 213 103 A 53 LYS HD2 A 56 VAL HGx% 1.0 1.746 3.406 214 104 A 53 LYS HD2 A 34 ILE HD1% 1.0 1.733 3.341 215 104 A 53 LYS HD3 A 34 ILE HD1% 1.0 1.733 3.341 216 105 A 53 LYS H A 53 LYS HD3 1.0 1.869 4.083 217 105 A 53 LYS H A 53 LYS HD2 1.0 1.869 4.083 218 106 A 53 LYS HE3 A 53 LYS HD2 1.0 1.322 2.020 219 106 A 53 LYS HE3 A 53 LYS HD3 1.0 1.322 2.020 220 106 A 53 LYS HE2 A 53 LYS HD2 1.0 1.322 2.020 221 106 A 53 LYS HE2 A 53 LYS HD3 1.0 1.322 2.020 222 107 A 53 LYS HE2 A 53 LYS HGy 1.0 1.476 2.430 223 107 A 53 LYS HE2 A 34 ILE HG1x 1.0 1.476 2.430 224 107 A 53 LYS HE3 A 34 ILE HG1x 1.0 1.476 2.430 225 108 A 53 LYS HE3 A 53 LYS HGx 1.0 1.567 2.711 226 108 A 53 LYS HE2 A 53 LYS HGx 1.0 1.567 2.711 227 109 A 53 LYS HE3 A 34 ILE HD1% 1.0 1.584 2.766 228 109 A 53 LYS HE2 A 34 ILE HD1% 1.0 1.584 2.766 229 110 A 53 LYS HE2 A 56 VAL HGx% 1.0 1.704 3.222 230 110 A 53 LYS HE3 A 56 VAL HGx% 1.0 1.704 3.222 231 111 A 53 LYS HE3 A 53 LYS HBy 1.0 1.782 3.578 232 111 A 53 LYS HE2 A 53 LYS HBy 1.0 1.782 3.578 233 112 A 53 LYS HE3 A 55 ALA H 1.0 1.942 4.692 234 112 A 53 LYS HE2 A 55 ALA H 1.0 1.942 4.692 235 113 A 54 MET HA A 57 CYS HB2 1.0 1.765 3.491 236 113 A 54 MET HA A 57 CYS HB3 1.0 1.765 3.491 237 114 A 30 LEU HG A 54 MET HGy 1.0 1.855 3.995 238 114 A 35 LEU HDy% A 54 MET HGy 1.0 1.855 3.995 239 114 A 96 LEU HDx% A 54 MET HGy 1.0 1.855 3.995 240 115 A 86 ALA HA A 66 ASN HBy 1.0 1.861 4.031 241 115 A 100 LYS HEx A 55 ALA HA 1.0 1.861 4.031 242 115 A 100 LYS HEy A 55 ALA HA 1.0 1.861 4.031 243 116 A 55 ALA HA A 103 LEU HG 1.0 1.743 3.391 244 116 A 55 ALA HA A 103 LEU HBy 1.0 1.743 3.391 245 116 A 55 ALA HA A 100 LYS HDy 1.0 1.743 3.391 246 117 A 55 ALA HA A 100 LYS HGx 1.0 1.454 2.368 247 117 A 49 LYS HDx A 49 LYS HA 1.0 1.454 2.368 248 117 A 49 LYS HBy A 49 LYS HA 1.0 1.454 2.368 249 118 A 61 VAL HGx% A 93 LEU HBx 1.0 1.491 2.475 250 118 A 61 VAL HGx% A 59 ILE HG1y 1.0 1.491 2.475 251 119 A 57 CYS HB2 A 57 CYS H 1.0 1.667 3.067 252 119 A 57 CYS HB3 A 57 CYS H 1.0 1.667 3.067 253 120 A 57 CYS HB3 A 58 GLU H 1.0 1.784 3.586 254 120 A 57 CYS HB2 A 58 GLU H 1.0 1.784 3.586 255 121 A 57 CYS HB2 A 56 VAL H 1.0 1.869 4.085 256 121 A 57 CYS HB3 A 56 VAL H 1.0 1.869 4.085 257 122 A 58 GLU HGx A 72 ILE HG2% 1.0 1.822 3.794 258 122 A 58 GLU HGx A 72 ILE HD1% 1.0 1.822 3.794 259 123 A 52 ILE HB A 71 LEU HG 1.0 1.565 2.703 260 123 A 59 ILE HG1y A 59 ILE HB 1.0 1.565 2.703 261 124 A 100 LYS HEx A 59 ILE HG2% 1.0 1.828 3.826 262 124 A 100 LYS HEy A 59 ILE HG2% 1.0 1.828 3.826 263 125 A 59 ILE HD1% A 93 LEU H 1.0 1.831 3.843 264 125 A 59 ILE HD1% A 72 ILE H 1.0 1.831 3.843 265 126 A 60 LYS HGx A 60 LYS HD2 1.0 1.505 2.517 266 126 A 60 LYS HGx A 60 LYS HD3 1.0 1.505 2.517 267 126 A 60 LYS HBx A 60 LYS HGx 1.0 1.505 2.517 268 127 A 60 LYS HD2 A 60 LYS HGy 1.0 1.483 2.451 269 127 A 60 LYS HD3 A 60 LYS HGy 1.0 1.483 2.451 270 128 A 60 LYS HD2 A 60 LYS HEx 1.0 1.443 2.335 271 128 A 60 LYS HD2 A 60 LYS HEy 1.0 1.443 2.335 272 128 A 60 LYS HD3 A 60 LYS HEx 1.0 1.443 2.335 273 129 A 60 LYS HGx A 60 LYS HD3 1.0 1.537 2.615 274 129 A 60 LYS HGx A 60 LYS HD2 1.0 1.537 2.615 275 130 A 72 ILE HG2% A 60 LYS HD3 1.0 1.580 2.754 276 130 A 72 ILE HG2% A 60 LYS HD2 1.0 1.580 2.754 277 131 A 60 LYS HD3 A 60 LYS HEy 1.0 1.513 2.537 278 131 A 60 LYS HD2 A 60 LYS HEy 1.0 1.513 2.537 279 132 A 60 LYS HD3 A 60 LYS HEx 1.0 1.495 2.487 280 132 A 60 LYS HD2 A 60 LYS HEx 1.0 1.495 2.487 281 133 A 61 VAL HGy% A 61 VAL HA 1.0 1.492 2.474 282 133 A 61 VAL HGx% A 61 VAL HA 1.0 1.492 2.474 283 134 A 61 VAL HA A 69 MET HB2 1.0 1.774 3.534 284 134 A 69 MET HB3 A 61 VAL HA 1.0 1.774 3.534 285 135 A 53 LYS HBy A 56 VAL HGy% 1.0 1.708 3.234 286 135 A 56 VAL HGy% A 74 PRO HGy 1.0 1.708 3.234 287 135 A 69 MET HB3 A 61 VAL HGx% 1.0 1.708 3.234 288 136 A 67 THR HA A 82 LYS HG3 1.0 1.832 3.852 289 136 A 67 THR HA A 82 LYS HG2 1.0 1.832 3.852 290 137 A 82 LYS HG2 A 67 THR HB 1.0 1.838 3.890 291 137 A 82 LYS HG3 A 67 THR HB 1.0 1.838 3.890 292 138 A 69 MET HB2 A 69 MET HA 1.0 1.605 2.837 293 138 A 69 MET HB3 A 69 MET HA 1.0 1.605 2.837 294 139 A 61 VAL HGy% A 69 MET HA 1.0 1.765 3.493 295 139 A 61 VAL HGx% A 69 MET HA 1.0 1.765 3.493 296 140 A 69 MET HA A 69 MET HE% 1.0 1.884 4.192 297 140 A 60 LYS HBx A 69 MET HA 1.0 1.884 4.192 298 141 A 69 MET HB3 A 93 LEU HDy% 1.0 1.773 3.531 299 141 A 69 MET HB2 A 93 LEU HDy% 1.0 1.773 3.531 300 142 A 69 MET HB3 A 61 VAL HGx% 1.0 1.834 3.862 301 142 A 61 VAL HGx% A 69 MET HB2 1.0 1.834 3.862 302 143 A 69 MET HB3 A 69 MET H 1.0 1.737 3.363 303 143 A 69 MET HB2 A 69 MET H 1.0 1.737 3.363 304 144 A 69 MET HB2 A 69 MET HE% 1.0 1.494 2.480 305 144 A 69 MET HB3 A 69 MET HE% 1.0 1.494 2.480 306 145 A 70 GLU HB3 A 70 GLU H 1.0 1.754 3.440 307 145 A 70 GLU HB2 A 70 GLU H 1.0 1.754 3.440 308 146 A 70 GLU HB3 A 71 LEU H 1.0 1.839 3.893 309 146 A 70 GLU HB2 A 71 LEU H 1.0 1.839 3.893 310 147 A 70 GLU HB3 A 70 GLU HGx 1.0 1.517 2.551 311 147 A 70 GLU HB2 A 70 GLU HGx 1.0 1.517 2.551 312 148 A 70 GLU HB2 A 72 ILE HG2% 1.0 1.793 3.631 313 148 A 70 GLU HB3 A 72 ILE HG2% 1.0 1.793 3.631 314 149 A 70 GLU HGx A 70 GLU H 1.0 1.766 3.498 315 149 A 69 MET H A 70 GLU HGx 1.0 1.766 3.498 316 150 A 93 LEU HDy% A 81 MET HGy 1.0 1.783 3.581 317 150 A 12 VAL HGx% A 84 VAL HB 1.0 1.783 3.581 318 150 A 35 LEU HDy% A 81 MET HGy 1.0 1.783 3.581 319 151 A 60 LYS HBx A 71 LEU HA 1.0 1.864 4.048 320 151 A 59 ILE HB A 71 LEU HA 1.0 1.864 4.048 321 152 A 71 LEU HBx A 71 LEU HDy% 1.0 1.672 3.086 322 152 A 52 ILE HG2% A 71 LEU HBx 1.0 1.672 3.086 323 153 A 71 LEU HDy% A 59 ILE H 1.0 1.806 3.698 324 153 A 71 LEU HDy% A 71 LEU H 1.0 1.806 3.698 325 154 A 57 CYS HB3 A 71 LEU HDy% 1.0 1.836 3.874 326 154 A 57 CYS HB2 A 71 LEU HDy% 1.0 1.836 3.874 327 155 A 71 LEU HG A 71 LEU HDx% 1.0 1.433 2.309 328 155 A 71 LEU HDx% A 71 LEU HBy 1.0 1.433 2.309 329 156 A 71 LEU HDx% A 35 LEU HBx 1.0 1.787 3.603 330 156 A 54 MET HGy A 71 LEU HDx% 1.0 1.787 3.603 331 157 A 71 LEU HDy% A 35 LEU HBx 1.0 1.802 3.678 332 157 A 54 MET HGy A 71 LEU HDy% 1.0 1.802 3.678 333 158 A 72 ILE HG2% A 72 ILE HB 1.0 1.522 2.568 334 158 A 72 ILE HD1% A 72 ILE HB 1.0 1.522 2.568 335 159 A 57 CYS HB2 A 73 ILE HG2% 1.0 1.824 3.800 336 159 A 57 CYS HB3 A 73 ILE HG2% 1.0 1.824 3.800 337 160 A 52 ILE HG1x A 73 ILE HG2% 1.0 1.659 3.035 338 160 A 71 LEU HBx A 73 ILE HG2% 1.0 1.659 3.035 339 161 A 73 ILE HG2% A 73 ILE HG1x 1.0 1.581 2.757 340 161 A 73 ILE HG1x A 52 ILE HG1y 1.0 1.581 2.757 341 162 A 73 ILE HD1% A 74 PRO HGx 1.0 1.541 2.629 342 162 A 73 ILE HD1% A 76 GLU HGy 1.0 1.541 2.629 343 163 A 56 VAL HGy% A 74 PRO HGy 1.0 1.859 4.017 344 163 A 73 ILE HD1% A 74 PRO HGy 1.0 1.859 4.017 345 164 A 77 GLN HA A 77 GLN HG2 1.0 1.702 3.212 346 164 A 77 GLN HA A 77 GLN HG3 1.0 1.702 3.212 347 165 A 77 GLN HG2 A 77 GLN HBy 1.0 1.539 2.623 348 165 A 77 GLN HG3 A 77 GLN HBy 1.0 1.539 2.623 349 166 A 77 GLN HG3 A 77 GLN HE22 1.0 1.860 4.024 350 166 A 77 GLN HG2 A 77 GLN HE22 1.0 1.860 4.024 351 167 A 77 GLN HG3 A 77 GLN HE21 1.0 1.889 4.229 352 167 A 77 GLN HG2 A 77 GLN HE21 1.0 1.889 4.229 353 168 A 77 GLN HBy A 77 GLN HBx 1.0 1.424 2.282 354 168 A 107 ARG HBx A 107 ARG HBy 1.0 1.424 2.282 355 169 A 79 PHE HBy A 81 MET HE% 1.0 1.799 3.665 356 169 A 71 LEU HBx A 79 PHE HBy 1.0 1.799 3.665 357 170 A 73 ILE HG2% A 79 PHE HBx 1.0 1.885 4.197 358 170 A 52 ILE HG1y A 79 PHE HBx 1.0 1.885 4.197 359 171 A 35 LEU HDy% A 79 PHE HBy 1.0 1.910 4.398 360 171 A 52 ILE HG1y A 79 PHE HBy 1.0 1.910 4.398 361 172 A 81 MET HE% A 81 MET HBy 1.0 1.834 3.864 362 172 A 15 LYS HG2 A 81 MET HBy 1.0 1.834 3.864 363 172 A 15 LYS HG3 A 81 MET HBy 1.0 1.834 3.864 364 173 A 15 LYS HG3 A 81 MET HBx 1.0 1.869 4.083 365 173 A 81 MET HE% A 81 MET HBx 1.0 1.869 4.083 366 173 A 15 LYS HG2 A 81 MET HBx 1.0 1.869 4.083 367 174 A 81 MET HE% A 79 PHE HBx 1.0 1.794 3.638 368 174 A 81 MET HE% A 92 TRP HBx 1.0 1.794 3.638 369 175 A 82 LYS HG2 A 82 LYS HDy 1.0 1.659 3.037 370 175 A 82 LYS HG3 A 82 LYS HDy 1.0 1.659 3.037 371 176 A 82 LYS HG3 A 82 LYS HBy 1.0 1.712 3.250 372 176 A 82 LYS HG2 A 82 LYS HBy 1.0 1.712 3.250 373 177 A 82 LYS HG3 A 82 LYS HEx 1.0 1.625 2.911 374 177 A 82 LYS HG2 A 82 LYS HEx 1.0 1.625 2.911 375 178 A 82 LYS HG2 A 82 LYS HEy 1.0 1.643 2.975 376 178 A 82 LYS HG3 A 82 LYS HEy 1.0 1.643 2.975 377 179 A 82 LYS HG2 A 82 LYS HDx 1.0 1.661 3.045 378 179 A 82 LYS HG3 A 82 LYS HDx 1.0 1.661 3.045 379 180 A 83 ALA HB% A 88 GLU HA 1.0 1.745 3.399 380 180 A 67 THR HA A 83 ALA HB% 1.0 1.745 3.399 381 181 A 84 VAL HA A 84 VAL HGy% 1.0 1.437 2.317 382 181 A 84 VAL HA A 84 VAL HGx% 1.0 1.437 2.317 383 182 A 84 VAL HB A 84 VAL HGx% 1.0 1.373 2.147 384 182 A 84 VAL HB A 84 VAL HGy% 1.0 1.373 2.147 385 183 A 91 ARG HD3 A 87 ALA HB% 1.0 1.862 4.036 386 183 A 91 ARG HD2 A 87 ALA HB% 1.0 1.862 4.036 387 184 A 84 VAL HGx% A 88 GLU HBx 1.0 1.742 3.384 388 184 A 84 VAL HGy% A 88 GLU HBx 1.0 1.742 3.384 389 185 A 89 ARG HBx A 67 THR HG2% 1.0 1.891 4.243 390 185 A 89 ARG HBx A 93 LEU HDx% 1.0 1.891 4.243 391 186 A 90 GLN HGx A 90 GLN HBy 1.0 1.503 2.511 392 186 A 90 GLN HGy A 90 GLN HBy 1.0 1.503 2.511 393 187 A 90 GLN HGx A 90 GLN HBy 1.0 1.485 2.455 394 187 A 90 GLN HGx A 90 GLN HBx 1.0 1.485 2.455 395 188 A 91 ARG HD3 A 91 ARG HBy 1.0 1.675 3.099 396 188 A 91 ARG HD2 A 91 ARG HBy 1.0 1.675 3.099 397 189 A 91 ARG HD3 A 91 ARG HGx 1.0 1.488 2.464 398 189 A 91 ARG HD2 A 91 ARG HGx 1.0 1.488 2.464 399 190 A 91 ARG HD3 A 91 ARG HBx 1.0 1.576 2.742 400 190 A 91 ARG HD2 A 91 ARG HBx 1.0 1.576 2.742 401 191 A 91 ARG HD3 A 91 ARG HGy 1.0 1.457 2.373 402 191 A 91 ARG HD2 A 91 ARG HGy 1.0 1.457 2.373 403 192 A 91 ARG HD2 A 88 GLU HG2 1.0 1.866 4.064 404 192 A 91 ARG HD3 A 88 GLU HG2 1.0 1.866 4.064 405 192 A 91 ARG HD3 A 88 GLU HG3 1.0 1.866 4.064 406 193 A 91 ARG HD2 A 88 GLU HBx 1.0 1.915 4.437 407 193 A 91 ARG HD3 A 88 GLU HBx 1.0 1.915 4.437 408 194 A 91 ARG HD3 A 88 GLU HA 1.0 1.774 3.534 409 194 A 91 ARG HD2 A 88 GLU HA 1.0 1.774 3.534 410 195 A 91 ARG HD2 A 91 ARG H 1.0 1.783 3.585 411 195 A 91 ARG HD3 A 91 ARG H 1.0 1.783 3.585 412 196 A 93 LEU HDy% A 92 TRP HBx 1.0 1.755 3.447 413 196 A 96 LEU HDx% A 92 TRP HBx 1.0 1.755 3.447 414 197 A 96 LEU HBx A 93 LEU HA 1.0 1.581 2.755 415 197 A 93 LEU HA A 93 LEU HBy 1.0 1.581 2.755 416 198 A 94 VAL HGy% A 95 ALA H 1.0 1.620 2.894 417 198 A 90 GLN HE22 A 94 VAL HGy% 1.0 1.620 2.894 418 199 A 95 ALA HA A 98 SER HBy 1.0 1.642 2.974 419 199 A 95 ALA HA A 98 SER HBx 1.0 1.642 2.974 420 200 A 96 LEU HA A 96 LEU HBx 1.0 1.684 3.134 421 200 A 96 LEU HBx A 93 LEU HA 1.0 1.684 3.134 422 201 A 98 SER HBx A 98 SER HA 1.0 1.485 2.455 423 201 A 98 SER HBy A 98 SER HA 1.0 1.485 2.455 424 202 A 7 GLU HB2 A 98 SER HBx 1.0 1.862 4.036 425 202 A 7 GLU HB3 A 98 SER HBx 1.0 1.862 4.036 426 203 A 7 GLU HB2 A 99 SER HBy 1.0 1.792 3.628 427 203 A 7 GLU HB3 A 99 SER HBy 1.0 1.792 3.628 428 204 A 7 GLU HB2 A 99 SER HBx 1.0 1.824 3.804 429 204 A 7 GLU HB3 A 99 SER HBx 1.0 1.824 3.804 430 205 A 100 LYS HEy A 100 LYS HDy 1.0 1.604 2.838 431 205 A 100 LYS HEx A 100 LYS HDy 1.0 1.604 2.838 432 206 A 102 CYS HB3 A 3 LEU HA 1.0 1.727 3.319 433 206 A 102 CYS HB2 A 3 LEU HA 1.0 1.727 3.319 434 207 A 102 CYS HB2 A 102 CYS H 1.0 1.853 3.979 435 207 A 102 CYS HB3 A 102 CYS H 1.0 1.853 3.979 436 208 A 102 CYS HB3 A 103 LEU H 1.0 1.931 4.583 437 208 A 102 CYS HB2 A 103 LEU H 1.0 1.931 4.583 438 209 A 102 CYS HB2 A 101 ALA HB% 1.0 1.848 3.944 439 209 A 102 CYS HB3 A 101 ALA HB% 1.0 1.848 3.944 440 210 A 103 LEU HG A 103 LEU HA 1.0 1.558 2.682 441 210 A 103 LEU HBy A 103 LEU HA 1.0 1.558 2.682 442 211 A 102 CYS HB2 A 103 LEU HDx% 1.0 1.922 4.502 443 211 A 102 CYS HB3 A 103 LEU HDx% 1.0 1.922 4.502 444 212 A 103 LEU HBy A 103 LEU HDy% 1.0 1.468 2.406 445 212 A 103 LEU HG A 103 LEU HDy% 1.0 1.468 2.406 446 213 A 106 THR HG2% A 106 THR HB 1.0 1.302 1.972 447 213 A 104 THR HB A 104 THR HG2% 1.0 1.302 1.972 448 214 A 104 THR HG2% A 104 THR HA 1.0 1.458 2.380 449 214 A 106 THR HG2% A 106 THR HA 1.0 1.458 2.380 450 215 A 88 GLU HG2 A 83 ALA HB% 1.0 1.602 2.830 451 215 A 88 GLU HG3 A 83 ALA HB% 1.0 1.602 2.830 452 216 A 88 GLU HG3 A 84 VAL HGy% 1.0 1.570 2.720 453 216 A 88 GLU HG3 A 84 VAL HGx% 1.0 1.570 2.720 454 217 A 88 GLU HG2 A 88 GLU HBy 1.0 1.532 2.596 455 217 A 88 GLU HG3 A 88 GLU HBy 1.0 1.532 2.596 456 218 A 88 GLU HG2 A 88 GLU HBx 1.0 1.501 2.505 457 218 A 88 GLU HG3 A 88 GLU HBx 1.0 1.501 2.505 458 219 A 88 GLU HG2 A 13 LEU HDy% 1.0 1.877 4.141 459 219 A 88 GLU HG3 A 13 LEU HDy% 1.0 1.877 4.141 460 220 A 88 GLU HG3 A 85 ASN HBy 1.0 1.821 3.783 461 220 A 91 ARG HD2 A 88 GLU HG2 1.0 1.821 3.783 462 220 A 91 ARG HD3 A 88 GLU HG2 1.0 1.821 3.783 463 220 A 88 GLU HG2 A 85 ASN HBy 1.0 1.821 3.783 464 221 A 39 ASP HB3 A 39 ASP H 1.0 1.700 3.202 465 221 A 39 ASP HB2 A 39 ASP H 1.0 1.700 3.202 466 222 A 2 PRO HD3 A 2 PRO HG3 1.0 1.393 2.201 467 222 A 2 PRO HG2 A 2 PRO HD2 1.0 1.393 2.201 468 222 A 2 PRO HD3 A 2 PRO HG2 1.0 1.393 2.201 469 223 A 91 ARG HD3 A 9 MET HE% 1.0 1.572 2.728 470 223 A 91 ARG HD2 A 9 MET HE% 1.0 1.572 2.728 471 224 A 93 LEU HA A 92 TRP HBy 1.0 1.910 4.392 472 224 A 91 ARG HA A 92 TRP HBy 1.0 1.910 4.392 473 225 A 55 ALA HB% A 100 LYS HBy 1.0 1.738 3.366 474 225 A 55 ALA HB% A 53 LYS HBx 1.0 1.738 3.366 475 226 A 11 GLY HAx A 11 GLY HAy 1.0 1.559 2.685 476 227 A 10 GLU HBx A 11 GLY HAx 1.0 1.822 3.788 477 228 A 92 TRP HZ2 A 11 GLY HAy 1.0 1.848 3.942 478 229 A 27 TRP HH2 A 11 GLY HAy 1.0 1.814 3.748 479 230 A 11 GLY HAy A 11 GLY H 1.0 1.818 3.770 480 231 A 11 GLY HAy A 12 VAL H 1.0 1.641 2.967 481 232 A 11 GLY HAx A 12 VAL H 1.0 1.644 2.980 482 233 A 11 GLY HAx A 11 GLY H 1.0 1.800 3.668 483 234 A 27 TRP HH2 A 11 GLY HAx 1.0 1.794 3.640 484 235 A 22 GLY HAy A 22 GLY H 1.0 1.734 3.348 485 236 A 22 GLY HAy A 23 TRP H 1.0 1.793 3.635 486 237 A 22 GLY HAy A 22 GLY HAx 1.0 1.662 3.046 487 238 A 37 TYR HA A 38 TYR H 1.0 1.708 3.238 488 239 A 37 TYR HA A 28 PHE HA 1.0 1.787 3.603 489 240 A 37 TYR HA A 37 TYR HBy 1.0 1.770 3.516 490 241 A 37 TYR HA A 37 TYR HBx 1.0 1.758 3.462 491 242 A 70 GLU HA A 70 GLU HGx 1.0 1.706 3.224 492 243 A 32 ASN HA A 32 ASN HBx 1.0 1.604 2.836 493 244 A 9 MET HA A 9 MET HBx 1.0 1.641 2.971 494 245 A 9 MET HA A 9 MET HBy 1.0 1.567 2.711 495 246 A 81 MET HA A 81 MET HGx 1.0 1.795 3.647 496 247 A 15 LYS HBx A 81 MET HA 1.0 1.720 3.290 497 248 A 9 MET H A 9 MET HA 1.0 1.705 3.225 498 249 A 10 GLU H A 9 MET HA 1.0 1.551 2.659 499 250 A 87 ALA HA A 87 ALA H 1.0 1.690 3.164 500 251 A 86 ALA HA A 88 GLU H 1.0 1.773 3.535 501 252 A 55 ALA H A 55 ALA HA 1.0 1.681 3.125 502 253 A 87 ALA HA A 90 GLN H 1.0 1.750 3.424 503 254 A 10 GLU HA A 11 GLY H 1.0 1.677 3.109 504 255 A 30 LEU HA A 31 ASP H 1.0 1.676 3.102 505 256 A 71 LEU HA A 72 ILE H 1.0 1.660 3.040 506 257 A 10 GLU HA A 10 GLU HBy 1.0 1.726 3.312 507 258 A 10 GLU HA A 10 GLU HBx 1.0 1.770 3.516 508 259 A 71 LEU HA A 71 LEU HBy 1.0 1.709 3.239 509 260 A 71 LEU HBx A 71 LEU HA 1.0 1.782 3.578 510 261 A 90 GLN HA A 90 GLN HBy 1.0 1.540 2.624 511 262 A 90 GLN HA A 93 LEU HBy 1.0 1.660 3.040 512 263 A 88 GLU HA A 91 ARG HBx 1.0 1.738 3.370 513 264 A 88 GLU HG2 A 88 GLU HA 1.0 1.613 2.867 514 265 A 88 GLU HA A 88 GLU HBx 1.0 1.673 3.093 515 266 A 88 GLU HA A 88 GLU HBy 1.0 1.640 2.966 516 267 A 44 VAL HA A 44 VAL HB 1.0 1.657 3.031 517 268 A 44 VAL HA A 38 TYR HEx 1.0 1.795 3.647 518 268 A 44 VAL HA A 38 TYR HEy 1.0 1.795 3.647 519 269 A 68 ARG HDy A 68 ARG HDx 1.0 1.715 3.263 520 270 A 68 ARG HDy A 68 ARG HGx 1.0 1.814 3.744 521 271 A 68 ARG HDx A 68 ARG HGx 1.0 1.827 3.821 522 272 A 25 PRO HDy A 25 PRO HGx 1.0 1.669 3.077 523 273 A 25 PRO HGx A 25 PRO HDx 1.0 1.714 3.262 524 274 A 25 PRO HDy A 25 PRO HGy 1.0 1.716 3.266 525 275 A 25 PRO HDy A 25 PRO HDx 1.0 1.631 2.933 526 276 A 25 PRO HDy A 23 TRP HH2 1.0 1.838 3.882 527 277 A 25 PRO HDx A 23 TRP HH2 1.0 1.878 4.150 528 278 A 25 PRO HDy A 24 GLN HA 1.0 1.672 3.088 529 279 A 25 PRO HDx A 24 GLN HA 1.0 1.676 3.102 530 280 A 24 GLN HA A 24 GLN HGy 1.0 1.733 3.343 531 281 A 24 GLN HA A 24 GLN HBy 1.0 1.659 3.035 532 282 A 24 GLN HA A 24 GLN HBx 1.0 1.817 3.765 533 283 A 56 VAL HGx% A 55 ALA H 1.0 1.812 3.736 534 284 A 102 CYS H A 101 ALA HB% 1.0 1.802 3.682 535 285 A 101 ALA HB% A 101 ALA H 1.0 1.575 2.739 536 286 A 8 PHE H A 95 ALA HB% 1.0 1.792 3.628 537 287 A 56 VAL HGx% A 57 CYS H 1.0 1.718 3.278 538 288 A 56 VAL HGx% A 56 VAL H 1.0 1.466 2.402 539 289 A 95 ALA HB% A 95 ALA H 1.0 1.453 2.363 540 290 A 95 ALA HB% A 96 LEU H 1.0 1.599 2.819 541 291 A 88 GLU H A 86 ALA HB% 1.0 1.840 3.896 542 292 A 55 ALA HB% A 56 VAL H 1.0 1.598 2.814 543 293 A 55 ALA HB% A 55 ALA H 1.0 1.431 2.301 544 294 A 55 ALA HB% A 55 ALA HA 1.0 1.349 2.087 545 295 A 51 SER HBy A 51 SER HA 1.0 1.773 3.531 546 296 A 96 LEU HA A 96 LEU HBy 1.0 1.710 3.242 547 297 A 100 LYS HGy A 100 LYS HA 1.0 1.691 3.163 548 298 A 96 LEU HA A 96 LEU HBx 1.0 1.713 3.257 549 299 A 100 LYS HBy A 100 LYS HA 1.0 1.598 2.816 550 300 A 100 LYS HBx A 100 LYS HA 1.0 1.629 2.927 551 301 A 100 LYS HGx A 100 LYS HA 1.0 1.731 3.339 552 302 A 96 LEU HA A 96 LEU H 1.0 1.785 3.595 553 303 A 9 MET H A 8 PHE HA 1.0 1.609 2.851 554 304 A 80 TYR HA A 81 MET H 1.0 1.700 3.204 555 305 A 28 PHE HA A 29 VAL H 1.0 1.656 3.028 556 306 A 20 LEU HA A 20 LEU H 1.0 1.733 3.343 557 307 A 7 GLU HA A 8 PHE H 1.0 1.520 2.560 558 308 A 7 GLU HA A 7 GLU H 1.0 1.798 3.660 559 309 A 107 ARG HA A 108 THR H 1.0 1.619 2.889 560 310 A 53 LYS HA A 54 MET H 1.0 1.654 3.020 561 311 A 52 ILE HG1y A 52 ILE HA 1.0 1.664 3.054 562 312 A 52 ILE HA A 73 ILE HB 1.0 1.787 3.601 563 313 A 53 LYS H A 52 ILE HA 1.0 1.518 2.556 564 314 A 52 ILE HA A 52 ILE H 1.0 1.783 3.583 565 315 A 91 ARG HA A 91 ARG H 1.0 1.628 2.920 566 316 A 91 ARG HA A 92 TRP H 1.0 1.824 3.802 567 317 A 91 ARG HA A 94 VAL H 1.0 1.841 3.909 568 318 A 91 ARG HA A 91 ARG HBx 1.0 1.630 2.928 569 319 A 91 ARG HA A 94 VAL HB 1.0 1.738 3.366 570 320 A 50 GLY HAy A 50 GLY HAx 1.0 1.545 2.641 571 321 A 50 GLY HAy A 51 SER H 1.0 1.786 3.594 572 322 A 50 GLY HAx A 51 SER H 1.0 1.793 3.633 573 323 A 50 GLY HAx A 50 GLY H 1.0 1.831 3.843 574 324 A 50 GLY HAy A 50 GLY H 1.0 1.883 4.177 575 325 A 92 TRP HZ2 A 11 GLY HAx 1.0 1.906 4.362 576 326 A 97 GLY HAx A 97 GLY HAy 1.0 1.521 2.563 577 327 A 59 ILE HG2% A 97 GLY HAy 1.0 1.811 3.729 578 328 A 97 GLY HAy A 97 GLY H 1.0 1.660 3.040 579 329 A 97 GLY HAx A 97 GLY H 1.0 1.699 3.197 580 330 A 25 PRO HDy A 25 PRO HBy 1.0 1.889 4.229 581 331 A 25 PRO HDx A 25 PRO HBy 1.0 1.894 4.262 582 332 A 25 PRO HDx A 25 PRO HBx 1.0 1.899 4.303 583 333 A 25 PRO HDy A 25 PRO HBx 1.0 1.899 4.305 584 334 A 41 GLN HA A 41 GLN HBy 1.0 1.674 3.094 585 335 A 41 GLN HA A 41 GLN HBx 1.0 1.716 3.268 586 336 A 41 GLN HA A 41 GLN HGx 1.0 1.665 3.063 587 337 A 41 GLN HA A 41 GLN HGy 1.0 1.733 3.345 588 338 A 41 GLN HA A 44 VAL H 1.0 1.899 4.307 589 339 A 41 GLN HA A 42 ASP H 1.0 1.908 4.374 590 340 A 41 GLN HA A 41 GLN H 1.0 1.897 4.285 591 341 A 46 LYS HA A 49 LYS HDx 1.0 1.672 3.090 592 342 A 20 LEU HA A 20 LEU HBx 1.0 1.592 2.796 593 343 A 20 LEU HA A 20 LEU HBy 1.0 1.564 2.700 594 344 A 21 THR HG2% A 20 LEU HA 1.0 1.869 4.081 595 345 A 36 SER HA A 37 TYR H 1.0 1.710 3.244 596 346 A 51 SER HA A 52 ILE H 1.0 1.604 2.838 597 347 A 36 SER HA A 52 ILE H 1.0 1.767 3.505 598 348 A 36 SER HA A 51 SER HBx 1.0 1.877 4.141 599 349 A 36 SER HA A 36 SER H 1.0 1.865 4.055 600 350 A 58 GLU HGx A 58 GLU HBx 1.0 1.560 2.688 601 351 A 58 GLU HGx A 58 GLU HGy 1.0 1.341 2.067 602 352 A 72 ILE HD1% A 58 GLU HGy 1.0 1.829 3.837 603 353 A 73 ILE HD1% A 76 GLU HGy 1.0 1.694 3.174 604 354 A 38 TYR HEx A 29 VAL HB 1.0 1.898 3.758 605 354 A 38 TYR HEy A 29 VAL HB 1.0 1.898 3.758 606 355 A 88 GLU HG3 A 85 ASN H 1.0 1.683 3.131 607 356 A 88 GLU HG3 A 84 VAL H 1.0 1.871 4.099 608 357 A 7 GLU H A 6 PRO HA 1.0 1.865 4.057 609 358 A 3 LEU HBx A 3 LEU HA 1.0 1.714 3.258 610 359 A 3 LEU HA A 3 LEU HBy 1.0 1.671 3.087 611 360 A 100 LYS HGx A 103 LEU HDy% 1.0 1.710 3.242 612 361 A 63 SER HA A 63 SER HBx 1.0 1.581 2.757 613 362 A 8 PHE H A 8 PHE HBx 1.0 1.728 3.322 614 363 A 8 PHE H A 8 PHE HBy 1.0 1.703 3.215 615 364 A 8 PHE HDy A 8 PHE HBx 1.0 1.732 3.340 616 364 A 8 PHE HDx A 8 PHE HBx 1.0 1.732 3.340 617 365 A 8 PHE HDy A 8 PHE HA 1.0 1.858 4.010 618 365 A 8 PHE HDx A 8 PHE HA 1.0 1.858 4.010 619 366 A 70 GLU HA A 80 TYR HA 1.0 1.803 3.687 620 367 A 8 PHE HA A 8 PHE HBy 1.0 1.739 3.373 621 368 A 8 PHE HA A 8 PHE HBx 1.0 1.694 3.174 622 369 A 8 PHE HBx A 8 PHE HBy 1.0 1.521 2.563 623 370 A 10 GLU HA A 10 GLU H 1.0 1.859 4.017 624 371 A 10 GLU HA A 29 VAL HGy% 1.0 1.833 3.855 625 372 A 10 GLU HA A 10 GLU HGx 1.0 1.865 4.057 626 373 A 8 PHE HDy A 8 PHE HBy 1.0 1.773 3.531 627 373 A 8 PHE HDx A 8 PHE HBy 1.0 1.773 3.531 628 374 A 9 MET HBx A 9 MET HBy 1.0 1.454 2.366 629 375 A 9 MET HBx A 30 LEU HBy 1.0 1.857 4.001 630 376 A 30 LEU HBy A 9 MET HBy 1.0 1.895 4.275 631 377 A 10 GLU H A 9 MET HBx 1.0 1.859 4.017 632 378 A 10 GLU H A 9 MET HBy 1.0 1.843 3.911 633 379 A 8 PHE H A 9 MET HBx 1.0 1.904 4.344 634 380 A 8 PHE H A 9 MET HBy 1.0 1.888 4.222 635 381 A 10 GLU HGy A 10 GLU HBy 1.0 1.792 3.626 636 382 A 10 GLU HGy A 10 GLU HGx 1.0 1.578 2.746 637 383 A 10 GLU HA A 10 GLU HGy 1.0 1.911 4.403 638 384 A 10 GLU HGy A 10 GLU HBx 1.0 1.740 3.372 639 385 A 10 GLU HBy A 10 GLU HGx 1.0 1.738 3.364 640 386 A 10 GLU HBx A 10 GLU HGx 1.0 1.722 3.296 641 387 A 10 GLU H A 10 GLU HGy 1.0 1.816 3.758 642 388 A 10 GLU H A 10 GLU HGx 1.0 1.853 3.979 643 389 A 10 GLU HGy A 27 TRP HZ2 1.0 1.781 3.575 644 390 A 8 PHE HDy A 10 GLU HGx 1.0 1.842 3.908 645 390 A 8 PHE HDx A 10 GLU HGx 1.0 1.842 3.908 646 391 A 10 GLU HBy A 27 TRP HZ2 1.0 1.828 3.826 647 392 A 10 GLU HBy A 11 GLY H 1.0 1.877 4.135 648 393 A 10 GLU H A 10 GLU HBy 1.0 1.894 4.264 649 394 A 12 VAL H A 12 VAL HB 1.0 1.475 2.837 650 395 A 12 VAL HB A 12 VAL HA 1.0 1.650 3.006 651 396 A 12 VAL HGy% A 12 VAL H 1.0 1.519 2.559 652 397 A 12 VAL HGx% A 13 LEU H 1.0 1.639 2.963 653 398 A 12 VAL HGx% A 12 VAL H 1.0 1.666 3.064 654 399 A 12 VAL HGy% A 27 TRP HE3 1.0 1.524 2.572 655 400 A 27 TRP HZ3 A 12 VAL HGy% 1.0 1.510 2.530 656 401 A 12 VAL HGx% A 14 TYR HDx 1.0 1.758 3.462 657 401 A 12 VAL HGx% A 14 TYR HDy 1.0 1.758 3.462 658 402 A 12 VAL HGy% A 27 TRP HA 1.0 1.794 3.636 659 403 A 12 VAL HGy% A 11 GLY HAy 1.0 1.797 3.655 660 404 A 12 VAL HGx% A 13 LEU HA 1.0 1.770 3.514 661 405 A 11 GLY HAx A 12 VAL HGy% 1.0 1.824 3.800 662 406 A 12 VAL HGx% A 25 PRO HGy 1.0 1.862 4.038 663 407 A 12 VAL HGx% A 12 VAL HB 1.0 1.419 2.269 664 408 A 12 VAL HGy% A 12 VAL HB 1.0 1.422 2.278 665 409 A 12 VAL HGx% A 12 VAL HGy% 1.0 1.340 2.066 666 410 A 13 LEU HBx A 13 LEU HA 1.0 1.793 3.635 667 411 A 13 LEU HBy A 13 LEU HA 1.0 1.754 3.440 668 412 A 13 LEU HA A 13 LEU HG 1.0 1.826 3.812 669 413 A 13 LEU HA A 14 TYR H 1.0 1.664 3.054 670 414 A 13 LEU HA A 13 LEU H 1.0 1.884 4.190 671 415 A 33 GLY H A 32 ASN HA 1.0 1.667 3.067 672 416 A 13 LEU HA A 13 LEU HDx% 1.0 1.773 3.531 673 417 A 13 LEU HBy A 13 LEU H 1.0 1.897 4.283 674 418 A 13 LEU HBy A 13 LEU HBx 1.0 1.701 3.205 675 419 A 13 LEU HBx A 13 LEU HG 1.0 1.742 3.388 676 420 A 13 LEU HBy A 13 LEU HG 1.0 1.693 3.173 677 421 A 13 LEU HDy% A 13 LEU HDx% 1.0 1.412 2.250 678 422 A 13 LEU HBx A 13 LEU HDy% 1.0 1.592 2.794 679 423 A 13 LEU HDy% A 13 LEU HG 1.0 1.528 2.584 680 424 A 13 LEU HBy A 13 LEU HDy% 1.0 1.638 2.958 681 425 A 13 LEU HDy% A 13 LEU HA 1.0 1.558 2.684 682 426 A 13 LEU HDy% A 92 TRP HD1 1.0 1.715 3.263 683 427 A 92 TRP HZ2 A 13 LEU HDy% 1.0 1.863 4.043 684 428 A 13 LEU HDy% A 13 LEU H 1.0 1.927 4.539 685 429 A 13 LEU HDy% A 83 ALA H 1.0 1.886 4.200 686 430 A 13 LEU HDy% A 14 TYR H 1.0 1.690 3.160 687 431 A 92 TRP HE1 A 13 LEU HDy% 1.0 1.697 3.187 688 432 A 13 LEU HBx A 13 LEU HDx% 1.0 1.651 3.007 689 433 A 13 LEU HG A 13 LEU HDx% 1.0 1.560 2.688 690 434 A 13 LEU HBy A 13 LEU HDx% 1.0 1.605 2.841 691 435 A 92 TRP HZ2 A 13 LEU HDx% 1.0 1.837 3.881 692 436 A 13 LEU HDx% A 92 TRP HD1 1.0 1.867 4.071 693 437 A 13 LEU HDx% A 92 TRP HE3 1.0 1.815 3.751 694 438 A 13 LEU HDx% A 28 PHE HDy 1.0 1.776 3.544 695 438 A 13 LEU HDx% A 28 PHE HDx 1.0 1.776 3.544 696 439 A 13 LEU HDx% A 13 LEU H 1.0 1.896 4.282 697 440 A 92 TRP HE1 A 13 LEU HDx% 1.0 1.861 4.033 698 441 A 14 TYR HA A 15 LYS H 1.0 1.799 3.669 699 442 A 14 TYR HBx A 14 TYR HBy 1.0 1.705 3.221 700 443 A 14 TYR HBx A 14 TYR H 1.0 1.814 3.744 701 444 A 14 TYR HBy A 14 TYR H 1.0 1.929 4.561 702 445 A 14 TYR HBx A 82 LYS HBx 1.0 1.901 4.319 703 446 A 82 LYS HBy A 14 TYR HBy 1.0 1.836 3.878 704 447 A 14 TYR HA A 14 TYR HBy 1.0 1.922 4.496 705 448 A 15 LYS HA A 16 TRP H 1.0 1.748 3.410 706 449 A 15 LYS HA A 15 LYS HDy 1.0 1.822 3.794 707 450 A 15 LYS HA A 15 LYS HBy 1.0 1.821 3.789 708 451 A 15 LYS HA A 15 LYS HBx 1.0 1.814 3.750 709 452 A 15 LYS HA A 15 LYS H 1.0 1.903 4.337 710 453 A 15 LYS HA A 81 MET HA 1.0 1.783 3.581 711 454 A 15 LYS HBx A 15 LYS H 1.0 1.865 4.059 712 455 A 15 LYS HBx A 16 TRP H 1.0 1.935 4.619 713 456 A 15 LYS HBx A 15 LYS HBy 1.0 1.674 3.096 714 457 A 15 LYS HBx A 15 LYS HDy 1.0 1.773 3.529 715 458 A 15 LYS HBy A 15 LYS HDy 1.0 1.779 3.561 716 459 A 15 LYS HBx A 15 LYS HDx 1.0 1.863 4.049 717 460 A 15 LYS HDx A 15 LYS HEy 1.0 1.749 3.417 718 461 A 15 LYS HBy A 15 LYS HDx 1.0 1.861 4.033 719 462 A 15 LYS HDy A 15 LYS HDx 1.0 1.587 2.777 720 463 A 15 LYS HDx A 15 LYS HEx 1.0 1.713 3.255 721 464 A 15 LYS HDy A 15 LYS HEy 1.0 1.717 3.277 722 465 A 15 LYS HDy A 15 LYS HEx 1.0 1.701 3.205 723 466 A 15 LYS HEx A 15 LYS HEy 1.0 1.473 2.419 724 467 A 16 TRP HA A 17 THR H 1.0 1.783 3.579 725 468 A 16 TRP H A 16 TRP HA 1.0 1.847 3.939 726 469 A 16 TRP HA A 16 TRP HBx 1.0 1.787 3.599 727 470 A 16 TRP HA A 17 THR HG2% 1.0 1.846 3.936 728 471 A 16 TRP HA A 16 TRP HBy 1.0 1.810 3.724 729 472 A 16 TRP HBx A 16 TRP HBy 1.0 1.762 3.476 730 473 A 16 TRP HBy A 80 TYR HBy 1.0 1.825 3.811 731 474 A 16 TRP H A 16 TRP HBy 1.0 1.859 4.015 732 475 A 16 TRP H A 16 TRP HBx 1.0 1.878 4.144 733 476 A 17 THR HA A 17 THR HB 1.0 1.615 2.877 734 477 A 17 THR HG2% A 17 THR HA 1.0 1.519 2.559 735 478 A 21 THR HG2% A 21 THR HB 1.0 1.399 2.215 736 479 A 17 THR HG2% A 17 THR HB 1.0 1.519 2.559 737 480 A 24 GLN HGy A 17 THR HG2% 1.0 1.657 3.027 738 481 A 24 GLN HBy A 17 THR HG2% 1.0 1.622 2.900 739 482 A 17 THR HG2% A 24 GLN HGx 1.0 1.681 3.121 740 483 A 17 THR H A 17 THR HG2% 1.0 1.834 3.858 741 484 A 17 THR HG2% A 24 GLN H 1.0 1.910 4.394 742 485 A 18 ASN HA A 16 TRP HE1 1.0 1.875 4.125 743 486 A 18 ASN HA A 18 ASN HBx 1.0 1.803 3.689 744 487 A 18 ASN HA A 18 ASN HBy 1.0 1.808 3.714 745 488 A 19 TYR HA A 16 TRP HH2 1.0 1.793 3.629 746 489 A 20 LEU HBx A 21 THR H 1.0 1.752 3.434 747 490 A 20 LEU HBy A 21 THR H 1.0 1.735 3.355 748 491 A 20 LEU H A 20 LEU HBx 1.0 1.706 3.226 749 492 A 20 LEU H A 20 LEU HBy 1.0 1.697 3.189 750 493 A 20 LEU HBx A 20 LEU HBy 1.0 1.382 2.170 751 494 A 21 THR HG2% A 20 LEU HBy 1.0 1.737 3.361 752 495 A 20 LEU HA A 21 THR H 1.0 1.792 3.626 753 496 A 20 LEU HBy A 20 LEU HG 1.0 1.592 2.796 754 497 A 20 LEU HBx A 20 LEU HG 1.0 1.569 2.715 755 498 A 20 LEU HA A 20 LEU HG 1.0 1.708 3.234 756 499 A 20 LEU H A 20 LEU HG 1.0 1.721 3.295 757 500 A 20 LEU HA A 20 LEU HDx% 1.0 1.410 2.244 758 501 A 20 LEU HDx% A 19 TYR HEx 1.0 1.721 3.293 759 501 A 20 LEU HDx% A 19 TYR HEy 1.0 1.721 3.293 760 502 A 21 THR H A 20 LEU HDx% 1.0 1.884 4.188 761 503 A 20 LEU H A 20 LEU HDx% 1.0 1.792 3.628 762 504 A 20 LEU HG A 20 LEU HDx% 1.0 1.413 2.253 763 505 A 20 LEU HBy A 20 LEU HDy% 1.0 1.482 2.448 764 506 A 20 LEU HBx A 20 LEU HDy% 1.0 1.475 2.425 765 507 A 20 LEU HG A 20 LEU HDy% 1.0 1.417 2.265 766 508 A 21 THR H A 20 LEU HDy% 1.0 1.877 4.139 767 509 A 20 LEU H A 20 LEU HDy% 1.0 1.785 3.589 768 510 A 21 THR HA A 21 THR HG2% 1.0 1.448 2.348 769 511 A 21 THR HA A 21 THR H 1.0 1.662 3.050 770 512 A 21 THR HA A 21 THR HB 1.0 1.412 2.250 771 513 A 21 THR HB A 24 GLN HGy 1.0 1.825 3.809 772 514 A 21 THR HA A 24 GLN HE21 1.0 1.901 4.319 773 515 A 21 THR HB A 24 GLN HE21 1.0 1.871 4.095 774 516 A 21 THR HB A 24 GLN HE22 1.0 1.824 3.802 775 517 A 21 THR HB A 21 THR H 1.0 1.718 3.278 776 518 A 21 THR HG2% A 21 THR H 1.0 1.604 2.836 777 519 A 21 THR HG2% A 24 GLN HE21 1.0 1.878 4.150 778 520 A 29 VAL HGy% A 38 TYR HEy 1.0 1.828 3.824 779 520 A 29 VAL HGy% A 38 TYR HEx 1.0 1.828 3.824 780 521 A 29 VAL HGy% A 29 VAL HB 1.0 1.508 2.526 781 522 A 10 GLU HBx A 29 VAL HGy% 1.0 1.773 3.535 782 523 A 29 VAL HGy% A 10 GLU HBy 1.0 1.782 3.574 783 524 A 21 THR HG2% A 20 LEU HBx 1.0 1.612 2.864 784 525 A 23 TRP HBy A 23 TRP HBx 1.0 1.699 3.201 785 526 A 23 TRP H A 23 TRP HBy 1.0 1.875 4.127 786 527 A 22 GLY HAy A 23 TRP HBx 1.0 1.858 4.008 787 528 A 24 GLN HA A 24 GLN H 1.0 1.878 4.140 788 529 A 24 GLN HBy A 24 GLN HBx 1.0 1.573 2.729 789 530 A 24 GLN HGy A 24 GLN HGx 1.0 1.708 3.234 790 531 A 24 GLN HGy A 24 GLN HBy 1.0 1.482 2.446 791 532 A 25 PRO HBy A 25 PRO HA 1.0 1.733 3.345 792 533 A 25 PRO HBx A 25 PRO HA 1.0 1.740 3.378 793 534 A 12 VAL HGx% A 25 PRO HA 1.0 1.760 3.472 794 535 A 12 VAL HGx% A 25 PRO HBy 1.0 1.631 2.935 795 536 A 12 VAL HGx% A 25 PRO HBx 1.0 1.724 3.302 796 537 A 25 PRO HBy A 25 PRO HBx 1.0 1.546 2.644 797 538 A 25 PRO HGx A 25 PRO HBx 1.0 1.718 3.278 798 539 A 25 PRO HGx A 25 PRO HBy 1.0 1.650 3.006 799 540 A 25 PRO HGy A 25 PRO HBx 1.0 1.728 3.322 800 541 A 25 PRO HGy A 25 PRO HBy 1.0 1.679 3.113 801 542 A 25 PRO HGx A 25 PRO HGy 1.0 1.523 2.569 802 543 A 25 PRO HDx A 25 PRO HGy 1.0 1.716 3.268 803 544 A 25 PRO HA A 26 ARG H 1.0 1.630 2.928 804 545 A 14 TYR HA A 25 PRO HA 1.0 1.774 3.540 805 546 A 25 PRO HBx A 14 TYR HDy 1.0 1.905 4.351 806 546 A 25 PRO HBx A 14 TYR HDx 1.0 1.905 4.351 807 547 A 25 PRO HBy A 14 TYR HDy 1.0 1.946 4.742 808 547 A 25 PRO HBy A 14 TYR HDx 1.0 1.946 4.742 809 548 A 26 ARG HBy A 26 ARG HBx 1.0 1.854 3.984 810 549 A 26 ARG HBy A 26 ARG HGx 1.0 1.827 3.821 811 550 A 26 ARG HBx A 26 ARG HGx 1.0 1.704 3.218 812 551 A 26 ARG HDx A 26 ARG HDy 1.0 1.777 3.551 813 552 A 26 ARG HBy A 26 ARG HDx 1.0 1.802 3.682 814 553 A 26 ARG HBx A 26 ARG HDx 1.0 1.850 3.956 815 554 A 26 ARG HGx A 26 ARG HDx 1.0 1.884 4.188 816 555 A 68 ARG HA A 68 ARG HGy 1.0 1.828 3.828 817 556 A 27 TRP HA A 28 PHE H 1.0 1.632 2.934 818 557 A 69 MET HA A 69 MET H 1.0 1.644 2.978 819 558 A 28 PHE HA A 28 PHE HBy 1.0 1.824 3.802 820 559 A 28 PHE HA A 28 PHE HBx 1.0 1.871 4.095 821 560 A 35 LEU HDx% A 28 PHE HA 1.0 1.807 3.703 822 561 A 35 LEU HDx% A 28 PHE HBx 1.0 1.817 3.763 823 562 A 28 PHE HBy A 28 PHE HBx 1.0 1.741 3.381 824 563 A 28 PHE HDy A 28 PHE HBx 1.0 1.892 4.250 825 563 A 28 PHE HDx A 28 PHE HBx 1.0 1.892 4.250 826 564 A 28 PHE HDy A 28 PHE HBy 1.0 1.883 4.181 827 564 A 28 PHE HDx A 28 PHE HBy 1.0 1.883 4.181 828 565 A 28 PHE HBx A 28 PHE H 1.0 1.830 3.838 829 566 A 28 PHE HBy A 28 PHE H 1.0 1.839 3.887 830 567 A 92 TRP HZ2 A 28 PHE HBy 1.0 1.857 4.005 831 568 A 13 LEU HDx% A 28 PHE HBy 1.0 1.843 3.911 832 569 A 13 LEU HDx% A 28 PHE HBx 1.0 1.897 4.291 833 570 A 29 VAL HB A 29 VAL H 1.0 1.821 3.783 834 571 A 29 VAL HB A 29 VAL HGx% 1.0 1.514 2.544 835 572 A 10 GLU HBx A 29 VAL HGx% 1.0 1.739 3.371 836 573 A 10 GLU HBy A 29 VAL HGx% 1.0 1.667 3.071 837 574 A 38 TYR HEx A 29 VAL HGx% 1.0 1.627 2.919 838 574 A 38 TYR HEy A 29 VAL HGx% 1.0 1.627 2.919 839 575 A 27 TRP HD1 A 29 VAL HGx% 1.0 1.661 3.045 840 576 A 27 TRP HZ2 A 29 VAL HGx% 1.0 1.731 3.333 841 577 A 29 VAL HGx% A 38 TYR HDy 1.0 1.716 3.272 842 577 A 29 VAL HGx% A 38 TYR HDx 1.0 1.716 3.272 843 578 A 29 VAL HGx% A 29 VAL H 1.0 1.698 3.194 844 579 A 29 VAL HGx% A 27 TRP HE1 1.0 1.558 2.682 845 580 A 29 VAL HGx% A 30 LEU H 1.0 1.919 4.469 846 581 A 29 VAL HGy% A 30 LEU H 1.0 1.780 3.570 847 582 A 29 VAL HGy% A 29 VAL H 1.0 1.802 3.682 848 583 A 10 GLU HGy A 29 VAL HGy% 1.0 1.819 3.771 849 584 A 10 GLU HA A 29 VAL HGx% 1.0 1.832 3.846 850 585 A 29 VAL HGy% A 29 VAL HGx% 1.0 1.231 1.809 851 586 A 30 LEU HBx A 30 LEU HA 1.0 1.839 3.891 852 587 A 30 LEU HA A 35 LEU HG 1.0 1.843 3.915 853 588 A 30 LEU HBy A 30 LEU HA 1.0 1.850 3.958 854 589 A 30 LEU HBx A 30 LEU HBy 1.0 1.717 3.271 855 590 A 30 LEU HBx A 35 LEU HG 1.0 1.795 3.643 856 591 A 30 LEU HBy A 35 LEU HG 1.0 1.822 3.790 857 592 A 92 TRP HZ3 A 30 LEU HBx 1.0 1.823 3.801 858 593 A 9 MET H A 30 LEU HBx 1.0 1.893 4.251 859 594 A 9 MET H A 30 LEU HBy 1.0 1.893 4.257 860 595 A 30 LEU HD2% A 30 LEU HBy 1.0 1.596 2.810 861 596 A 30 LEU HD1% A 54 MET HGy 1.0 1.619 2.887 862 597 A 30 LEU HD1% A 35 LEU HG 1.0 1.519 2.557 863 598 A 35 LEU HBy A 30 LEU HD1% 1.0 1.542 2.630 864 599 A 96 LEU HDy% A 30 LEU HD1% 1.0 1.447 2.347 865 600 A 30 LEU HD1% A 54 MET HGx 1.0 1.712 3.250 866 601 A 30 LEU HD1% A 35 LEU HA 1.0 1.734 3.348 867 602 A 30 LEU HD1% A 30 LEU HA 1.0 1.621 2.897 868 603 A 30 LEU HD1% A 34 ILE H 1.0 1.780 3.566 869 604 A 30 LEU HD1% A 31 ASP H 1.0 1.653 3.015 870 605 A 30 LEU HG A 30 LEU HA 1.0 1.823 3.797 871 606 A 30 LEU HG A 92 TRP HE3 1.0 1.856 4.002 872 607 A 30 LEU HG A 9 MET H 1.0 1.786 3.596 873 608 A 30 LEU HG A 30 LEU H 1.0 1.861 4.033 874 609 A 96 LEU HA A 30 LEU HG 1.0 1.629 2.925 875 610 A 30 LEU HG A 96 LEU HG 1.0 1.749 3.417 876 611 A 30 LEU HG A 30 LEU HBy 1.0 1.550 2.656 877 612 A 30 LEU HG A 30 LEU HBx 1.0 1.512 2.536 878 613 A 30 LEU HG A 95 ALA HB% 1.0 1.520 2.560 879 614 A 30 LEU HG A 96 LEU HDy% 1.0 1.492 2.476 880 615 A 31 ASP HA A 31 ASP H 1.0 1.834 3.864 881 616 A 31 ASP HA A 32 ASN H 1.0 1.681 3.123 882 617 A 8 PHE HDy A 31 ASP HA 1.0 1.856 3.998 883 617 A 8 PHE HDx A 31 ASP HA 1.0 1.856 3.998 884 618 A 31 ASP HA A 32 ASN HA 1.0 1.881 4.169 885 619 A 32 ASN HA A 32 ASN H 1.0 1.645 2.985 886 620 A 32 ASN HBy A 32 ASN HD22 1.0 1.766 3.498 887 621 A 32 ASN HBx A 32 ASN HD22 1.0 1.779 3.565 888 622 A 32 ASN HBy A 32 ASN HD21 1.0 1.692 3.166 889 623 A 32 ASN HBx A 32 ASN HD21 1.0 1.699 3.199 890 624 A 32 ASN H A 32 ASN HBy 1.0 1.864 4.052 891 625 A 33 GLY H A 32 ASN HBy 1.0 1.865 4.055 892 626 A 32 ASN HBx A 32 ASN H 1.0 1.841 3.907 893 627 A 32 ASN HA A 32 ASN HBy 1.0 1.618 2.886 894 628 A 32 ASN HBx A 32 ASN HBy 1.0 1.287 1.937 895 629 A 33 GLY H A 33 GLY HAx 1.0 1.738 3.366 896 630 A 33 GLY H A 33 GLY HAy 1.0 1.694 3.176 897 631 A 33 GLY HAy A 34 ILE H 1.0 1.826 3.818 898 632 A 33 GLY HAx A 33 GLY HAy 1.0 1.542 2.630 899 633 A 30 LEU HD1% A 33 GLY HAy 1.0 1.814 3.742 900 634 A 34 ILE HD1% A 33 GLY HAx 1.0 1.826 3.816 901 635 A 34 ILE HB A 34 ILE H 1.0 1.667 3.067 902 636 A 34 ILE HG1y A 34 ILE H 1.0 1.750 3.422 903 637 A 34 ILE HG1x A 34 ILE H 1.0 1.762 3.676 904 638 A 34 ILE HG2% A 34 ILE H 1.0 1.711 3.249 905 639 A 34 ILE HD1% A 34 ILE H 1.0 1.755 3.443 906 640 A 34 ILE HD1% A 54 MET H 1.0 1.761 3.475 907 641 A 34 ILE HD1% A 35 LEU H 1.0 1.811 3.731 908 642 A 53 LYS HA A 34 ILE HD1% 1.0 1.606 2.842 909 643 A 34 ILE HD1% A 33 GLY HAy 1.0 1.875 4.123 910 644 A 34 ILE HD1% A 32 ASN HBy 1.0 1.819 3.771 911 645 A 34 ILE HD1% A 32 ASN HBx 1.0 1.864 4.048 912 646 A 34 ILE HD1% A 34 ILE HB 1.0 1.544 2.634 913 647 A 34 ILE HG1x A 34 ILE HD1% 1.0 1.384 2.176 914 648 A 53 LYS HGx A 34 ILE HD1% 1.0 1.591 2.789 915 649 A 34 ILE HD1% A 34 ILE HG1y 1.0 1.455 2.369 916 650 A 34 ILE HG1x A 34 ILE HB 1.0 1.626 2.914 917 651 A 34 ILE HB A 34 ILE HG1y 1.0 1.691 3.165 918 652 A 34 ILE HG2% A 34 ILE HB 1.0 1.429 2.295 919 653 A 59 ILE HD1% A 61 VAL HB 1.0 1.785 3.593 920 654 A 59 ILE HD1% A 59 ILE HB 1.0 1.427 2.291 921 655 A 34 ILE HG1x A 34 ILE HG1y 1.0 1.404 2.228 922 656 A 34 ILE HG2% A 34 ILE HG1x 1.0 1.411 2.247 923 657 A 34 ILE HG2% A 34 ILE HG1y 1.0 1.504 2.514 924 658 A 35 LEU HA A 36 SER H 1.0 1.723 3.297 925 659 A 30 LEU HA A 35 LEU HA 1.0 1.785 3.593 926 660 A 35 LEU HBx A 35 LEU HA 1.0 1.841 3.903 927 661 A 35 LEU HG A 35 LEU HA 1.0 1.852 3.974 928 662 A 35 LEU HBy A 35 LEU HA 1.0 1.801 3.677 929 663 A 35 LEU HA A 31 ASP H 1.0 1.880 4.164 930 664 A 35 LEU HBy A 35 LEU HBx 1.0 1.687 3.145 931 665 A 35 LEU HBy A 52 ILE HB 1.0 1.784 3.586 932 666 A 35 LEU HBy A 35 LEU H 1.0 1.871 4.095 933 667 A 35 LEU HBx A 35 LEU H 1.0 1.896 4.286 934 668 A 28 PHE HDy A 35 LEU HG 1.0 1.869 4.081 935 668 A 28 PHE HDx A 35 LEU HG 1.0 1.869 4.081 936 669 A 35 LEU HDx% A 35 LEU HA 1.0 1.584 2.770 937 670 A 35 LEU HDx% A 30 LEU HA 1.0 1.726 3.312 938 671 A 35 LEU HDx% A 28 PHE HDy 1.0 1.711 3.247 939 671 A 35 LEU HDx% A 28 PHE HDx 1.0 1.711 3.247 940 672 A 35 LEU HDx% A 29 VAL H 1.0 1.811 3.735 941 673 A 35 LEU HDx% A 36 SER H 1.0 1.711 3.245 942 674 A 35 LEU HDx% A 31 ASP H 1.0 1.914 4.426 943 675 A 35 LEU HDx% A 30 LEU H 1.0 1.905 4.351 944 676 A 35 LEU HDx% A 28 PHE HBy 1.0 1.748 3.416 945 677 A 35 LEU HDx% A 35 LEU HBx 1.0 1.627 2.915 946 678 A 35 LEU HDx% A 35 LEU HG 1.0 1.505 2.517 947 679 A 35 LEU HDy% A 35 LEU HDx% 1.0 1.355 2.101 948 680 A 71 LEU HA A 71 LEU HDy% 1.0 1.607 2.845 949 681 A 35 LEU HDy% A 35 LEU HA 1.0 1.822 3.794 950 682 A 35 LEU HDy% A 35 LEU HBx 1.0 1.627 2.917 951 683 A 35 LEU HDy% A 35 LEU HG 1.0 1.564 2.700 952 684 A 35 LEU HBy A 35 LEU HDy% 1.0 1.505 2.515 953 685 A 51 SER HA A 51 SER HBx 1.0 1.629 2.925 954 686 A 36 SER HA A 36 SER HBy 1.0 1.752 3.430 955 687 A 36 SER HA A 36 SER HBx 1.0 1.804 3.690 956 688 A 36 SER HA A 51 SER HBy 1.0 1.626 2.914 957 689 A 34 ILE HG2% A 51 SER HBx 1.0 1.553 2.663 958 690 A 52 ILE H A 51 SER HBx 1.0 1.686 3.144 959 691 A 36 SER HBy A 37 TYR H 1.0 1.902 4.326 960 692 A 36 SER HBx A 37 TYR H 1.0 1.844 3.918 961 693 A 36 SER HBx A 36 SER H 1.0 1.859 4.019 962 694 A 36 SER HBy A 36 SER H 1.0 1.870 4.088 963 695 A 38 TYR HEx A 36 SER HBy 1.0 1.837 3.881 964 695 A 38 TYR HEy A 36 SER HBy 1.0 1.837 3.881 965 696 A 38 TYR HEx A 36 SER HBx 1.0 1.893 4.261 966 696 A 38 TYR HEy A 36 SER HBx 1.0 1.893 4.261 967 697 A 36 SER HBy A 36 SER HBx 1.0 1.661 3.045 968 698 A 37 TYR HBx A 38 TYR H 1.0 1.876 4.132 969 699 A 37 TYR HBy A 38 TYR H 1.0 1.845 3.929 970 700 A 37 TYR HBy A 37 TYR HBx 1.0 1.719 3.283 971 701 A 40 SER HBx A 40 SER HA 1.0 1.787 3.605 972 702 A 40 SER HA A 40 SER HBy 1.0 1.752 3.428 973 703 A 40 SER HA A 40 SER H 1.0 1.889 4.225 974 704 A 72 ILE HG1y A 72 ILE HG1x 1.0 1.503 2.509 975 705 A 72 ILE HG2% A 72 ILE HG1y 1.0 1.460 2.382 976 706 A 41 GLN HBy A 41 GLN HBx 1.0 1.500 2.500 977 707 A 41 GLN HBy A 41 GLN HGx 1.0 1.681 3.125 978 708 A 41 GLN HBy A 41 GLN H 1.0 1.888 4.218 979 709 A 41 GLN HE21 A 41 GLN HBx 1.0 1.826 3.812 980 710 A 27 TRP HH2 A 41 GLN HBy 1.0 1.902 4.324 981 711 A 41 GLN HGy A 41 GLN HBy 1.0 1.725 3.311 982 712 A 41 GLN HBx A 41 GLN HGx 1.0 1.687 3.149 983 713 A 41 GLN HGy A 41 GLN HBx 1.0 1.660 3.042 984 714 A 41 GLN HGy A 41 GLN HGx 1.0 1.396 2.208 985 715 A 41 GLN HE22 A 41 GLN HGy 1.0 1.763 3.481 986 716 A 41 GLN HE22 A 41 GLN HGx 1.0 1.778 3.556 987 717 A 41 GLN HE21 A 41 GLN HGx 1.0 1.726 3.312 988 718 A 42 ASP H A 42 ASP HA 1.0 1.723 3.303 989 719 A 42 ASP HA A 43 ASP H 1.0 1.766 3.500 990 720 A 42 ASP HA A 42 ASP HBx 1.0 1.587 2.779 991 721 A 42 ASP HA A 42 ASP HBy 1.0 1.515 2.545 992 722 A 44 VAL HGy% A 42 ASP HA 1.0 1.843 3.919 993 723 A 43 ASP HBy A 43 ASP H 1.0 1.715 3.269 994 724 A 43 ASP HBy A 40 SER H 1.0 1.893 4.255 995 725 A 43 ASP H A 43 ASP HBx 1.0 1.748 3.414 996 726 A 43 ASP HBx A 40 SER H 1.0 1.836 3.878 997 727 A 43 ASP HBy A 43 ASP HBx 1.0 1.517 2.553 998 728 A 44 VAL HA A 44 VAL H 1.0 1.696 3.186 999 729 A 44 VAL HA A 38 TYR HDy 1.0 1.851 3.963 1000 729 A 44 VAL HA A 38 TYR HDx 1.0 1.851 3.963 1001 730 A 44 VAL HB A 44 VAL H 1.0 1.601 2.827 1002 731 A 44 VAL HGx% A 29 VAL HGx% 1.0 1.661 3.047 1003 732 A 44 VAL HGx% A 44 VAL HB 1.0 1.412 2.252 1004 733 A 44 VAL HGx% A 44 VAL HA 1.0 1.539 2.619 1005 734 A 27 TRP HD1 A 44 VAL HGx% 1.0 1.859 4.017 1006 735 A 44 VAL HGx% A 38 TYR HEy 1.0 1.790 3.618 1007 735 A 44 VAL HGx% A 38 TYR HEx 1.0 1.790 3.618 1008 736 A 44 VAL HGx% A 44 VAL H 1.0 1.729 3.225 1009 737 A 44 VAL HGx% A 27 TRP HZ2 1.0 1.844 3.922 1010 738 A 44 VAL HGy% A 44 VAL HGx% 1.0 1.312 1.996 1011 739 A 44 VAL HGy% A 29 VAL HGx% 1.0 1.584 2.766 1012 740 A 44 VAL HGy% A 44 VAL HB 1.0 1.430 2.300 1013 741 A 41 GLN HGy A 44 VAL HGy% 1.0 1.808 3.716 1014 742 A 41 GLN HA A 44 VAL HGy% 1.0 1.596 2.810 1015 743 A 44 VAL HGy% A 44 VAL HA 1.0 1.529 2.591 1016 744 A 27 TRP HD1 A 44 VAL HGy% 1.0 1.650 3.004 1017 745 A 44 VAL HGy% A 44 VAL H 1.0 1.483 2.449 1018 746 A 44 VAL HGy% A 38 TYR HDx 1.0 1.765 3.491 1019 746 A 44 VAL HGy% A 38 TYR HDy 1.0 1.765 3.491 1020 747 A 44 VAL HGy% A 27 TRP HE1 1.0 1.632 2.938 1021 748 A 45 CYS HA A 44 VAL HGx% 1.0 1.788 3.610 1022 749 A 45 CYS HA A 46 LYS H 1.0 1.848 3.948 1023 750 A 46 LYS HA A 46 LYS H 1.0 1.759 3.461 1024 751 A 46 LYS HA A 46 LYS HDx 1.0 1.796 3.646 1025 752 A 47 GLY HAx A 47 GLY H 1.0 1.810 3.722 1026 753 A 47 GLY H A 47 GLY HAy 1.0 1.896 4.276 1027 754 A 47 GLY HAx A 47 GLY HAy 1.0 1.688 3.154 1028 755 A 48 SER HA A 49 LYS H 1.0 1.702 3.212 1029 756 A 48 SER HBx A 48 SER HBy 1.0 1.577 2.743 1030 757 A 48 SER HA A 48 SER HBy 1.0 1.691 3.167 1031 758 A 48 SER HA A 48 SER HBx 1.0 1.617 2.881 1032 759 A 50 GLY H A 48 SER HBx 1.0 1.787 3.601 1033 760 A 50 GLY H A 48 SER HBy 1.0 1.791 3.621 1034 761 A 49 LYS H A 48 SER HBx 1.0 1.865 4.055 1035 762 A 49 LYS H A 48 SER HBy 1.0 1.866 4.064 1036 763 A 49 LYS HA A 49 LYS H 1.0 1.826 3.812 1037 764 A 49 LYS HA A 50 GLY H 1.0 1.889 4.225 1038 765 A 49 LYS HA A 49 LYS HBx 1.0 1.639 2.965 1039 766 A 49 LYS HBx A 49 LYS H 1.0 1.873 4.105 1040 767 A 49 LYS HBy A 49 LYS H 1.0 1.895 4.271 1041 768 A 49 LYS HBy A 49 LYS HA 1.0 1.651 3.007 1042 769 A 49 LYS HBy A 49 LYS HBx 1.0 1.471 2.413 1043 770 A 49 LYS HBy A 49 LYS HGy 1.0 1.595 2.807 1044 771 A 49 LYS HBy A 49 LYS HGx 1.0 1.678 3.112 1045 772 A 49 LYS HDy A 49 LYS HA 1.0 1.689 3.157 1046 773 A 49 LYS HDx A 49 LYS HA 1.0 1.699 3.201 1047 774 A 49 LYS HDy A 49 LYS HGx 1.0 1.604 2.836 1048 775 A 49 LYS HDx A 49 LYS HGx 1.0 1.623 2.905 1049 776 A 49 LYS HDy A 49 LYS HBx 1.0 1.813 3.741 1050 777 A 49 LYS HDx A 49 LYS HBx 1.0 1.827 3.819 1051 778 A 49 LYS HGx A 49 LYS HA 1.0 1.739 3.369 1052 779 A 49 LYS HGy A 49 LYS HA 1.0 1.752 3.428 1053 780 A 49 LYS HGx A 49 LYS HGy 1.0 1.422 2.278 1054 781 A 49 LYS HGy A 49 LYS HBx 1.0 1.711 3.247 1055 782 A 49 LYS HGx A 49 LYS HBx 1.0 1.680 3.120 1056 783 A 51 SER HBy A 51 SER HBx 1.0 1.404 2.228 1057 784 A 52 ILE HG1x A 52 ILE HA 1.0 1.580 2.756 1058 785 A 52 ILE HB A 52 ILE HA 1.0 1.733 3.345 1059 786 A 52 ILE HB A 52 ILE H 1.0 1.717 3.271 1060 787 A 52 ILE HB A 53 LYS H 1.0 1.909 4.381 1061 788 A 52 ILE HB A 35 LEU HBx 1.0 1.718 3.278 1062 789 A 52 ILE HB A 52 ILE HG1x 1.0 1.637 2.955 1063 790 A 52 ILE HB A 52 ILE HG1y 1.0 1.582 2.762 1064 791 A 103 LEU HBy A 103 LEU HA 1.0 1.682 3.128 1065 792 A 52 ILE HG1x A 52 ILE H 1.0 1.771 3.525 1066 793 A 52 ILE HG1y A 52 ILE H 1.0 1.817 3.767 1067 794 A 53 LYS H A 52 ILE HG1y 1.0 1.855 3.987 1068 795 A 53 LYS H A 52 ILE HG1x 1.0 1.910 4.394 1069 796 A 52 ILE HG1x A 52 ILE HG1y 1.0 1.396 2.206 1070 797 A 52 ILE HG1x A 52 ILE HG2% 1.0 1.619 2.889 1071 798 A 52 ILE HG2% A 52 ILE H 1.0 1.716 3.272 1072 799 A 53 LYS H A 52 ILE HG2% 1.0 1.628 2.922 1073 800 A 52 ILE HG2% A 52 ILE HA 1.0 1.559 2.683 1074 801 A 52 ILE HG2% A 35 LEU HBx 1.0 1.692 3.168 1075 802 A 52 ILE HB A 52 ILE HG2% 1.0 1.489 2.467 1076 803 A 52 ILE HG2% A 71 LEU HG 1.0 1.652 3.012 1077 804 A 52 ILE HG2% A 73 ILE HG1x 1.0 1.613 2.865 1078 805 A 52 ILE HG2% A 54 MET H 1.0 1.900 4.308 1079 806 A 52 ILE HA A 52 ILE HD1% 1.0 1.773 3.531 1080 807 A 52 ILE HG1y A 52 ILE HD1% 1.0 1.352 2.096 1081 808 A 52 ILE HG2% A 52 ILE HD1% 1.0 1.413 2.253 1082 809 A 52 ILE HG1x A 52 ILE HD1% 1.0 1.441 2.329 1083 810 A 52 ILE HB A 52 ILE HD1% 1.0 1.536 2.610 1084 811 A 71 LEU HG A 52 ILE HD1% 1.0 1.637 2.953 1085 812 A 35 LEU HBx A 52 ILE HD1% 1.0 1.764 3.486 1086 813 A 52 ILE HD1% A 79 PHE HDy 1.0 1.808 3.714 1087 813 A 52 ILE HD1% A 79 PHE HDx 1.0 1.808 3.714 1088 814 A 52 ILE H A 52 ILE HD1% 1.0 1.744 3.398 1089 815 A 53 LYS HA A 53 LYS H 1.0 1.833 3.859 1090 816 A 53 LYS HA A 53 LYS HBx 1.0 1.696 3.186 1091 817 A 53 LYS HA A 53 LYS HBy 1.0 1.682 3.132 1092 818 A 53 LYS HBy A 53 LYS H 1.0 1.687 3.151 1093 819 A 53 LYS HBx A 53 LYS H 1.0 1.675 3.099 1094 820 A 53 LYS HBy A 53 LYS HBx 1.0 1.323 2.023 1095 821 A 100 LYS HBy A 100 LYS HGx 1.0 1.571 2.723 1096 822 A 53 LYS HBy A 73 ILE HD1% 1.0 1.737 3.365 1097 823 A 53 LYS HBx A 34 ILE HD1% 1.0 1.793 3.633 1098 824 A 53 LYS HA A 53 LYS HGy 1.0 1.718 3.280 1099 825 A 53 LYS HA A 53 LYS HGx 1.0 1.867 4.069 1100 826 A 53 LYS HBy A 53 LYS HGy 1.0 1.674 3.096 1101 827 A 53 LYS HBy A 53 LYS HGx 1.0 1.671 3.083 1102 828 A 53 LYS HGy A 53 LYS HGx 1.0 1.410 2.246 1103 829 A 53 LYS H A 53 LYS HGx 1.0 1.848 3.944 1104 830 A 53 LYS H A 53 LYS HGy 1.0 1.805 3.697 1105 831 A 54 MET HA A 54 MET HBy 1.0 1.757 3.451 1106 832 A 54 MET HA A 54 MET HBx 1.0 1.840 3.894 1107 833 A 54 MET HGx A 54 MET HBy 1.0 1.686 3.146 1108 834 A 54 MET HGx A 54 MET HBx 1.0 1.738 3.366 1109 835 A 54 MET HGy A 54 MET HGx 1.0 1.691 3.163 1110 836 A 54 MET H A 54 MET HGx 1.0 1.913 4.417 1111 837 A 54 MET HGy A 54 MET HBy 1.0 1.759 3.461 1112 838 A 54 MET HGy A 54 MET H 1.0 1.873 4.111 1113 839 A 55 ALA HA A 56 VAL H 1.0 1.817 3.761 1114 840 A 100 LYS HBx A 55 ALA HA 1.0 1.818 3.766 1115 841 A 55 ALA HB% A 54 MET H 1.0 1.862 4.038 1116 842 A 55 ALA HB% A 107 ARG HBx 1.0 1.672 3.088 1117 843 A 55 ALA HB% A 103 LEU HDy% 1.0 1.455 2.369 1118 844 A 56 VAL HA A 56 VAL HB 1.0 1.640 2.966 1119 845 A 56 VAL H A 56 VAL HA 1.0 1.798 3.656 1120 846 A 56 VAL H A 56 VAL HB 1.0 1.847 3.945 1121 847 A 56 VAL HB A 57 CYS H 1.0 1.890 4.236 1122 848 A 56 VAL HGx% A 56 VAL HA 1.0 1.777 3.551 1123 849 A 56 VAL HGx% A 74 PRO HDy 1.0 1.855 3.995 1124 850 A 56 VAL HGx% A 74 PRO HDx 1.0 1.808 3.718 1125 851 A 56 VAL HGx% A 56 VAL HB 1.0 1.415 2.257 1126 852 A 53 LYS HBy A 56 VAL HGx% 1.0 1.540 2.624 1127 853 A 53 LYS HBx A 56 VAL HGx% 1.0 1.529 2.589 1128 854 A 55 ALA HB% A 56 VAL HGx% 1.0 1.596 2.808 1129 855 A 56 VAL H A 56 VAL HGy% 1.0 1.608 2.852 1130 856 A 56 VAL HGy% A 57 CYS H 1.0 1.834 3.862 1131 857 A 56 VAL HGy% A 56 VAL HA 1.0 1.587 2.777 1132 858 A 56 VAL HGy% A 56 VAL HB 1.0 1.365 2.127 1133 859 A 58 GLU HBx A 58 GLU HBy 1.0 1.340 2.062 1134 860 A 58 GLU HBx A 58 GLU HGy 1.0 1.493 2.477 1135 861 A 59 ILE H A 58 GLU HGy 1.0 1.847 3.935 1136 862 A 58 GLU HGx A 59 ILE H 1.0 1.862 4.034 1137 863 A 71 LEU HDy% A 59 ILE HA 1.0 1.776 3.546 1138 864 A 59 ILE HB A 59 ILE H 1.0 1.721 3.291 1139 865 A 59 ILE HB A 59 ILE HG2% 1.0 1.446 2.344 1140 866 A 59 ILE HG1y A 59 ILE HB 1.0 1.644 2.982 1141 867 A 59 ILE HB A 59 ILE HA 1.0 1.901 4.325 1142 868 A 59 ILE HG1y A 59 ILE H 1.0 1.758 3.458 1143 869 A 59 ILE H A 59 ILE HG1x 1.0 1.907 4.369 1144 870 A 59 ILE HG1y A 59 ILE HG1x 1.0 1.572 2.728 1145 871 A 59 ILE HG1y A 59 ILE HG2% 1.0 1.401 2.221 1146 872 A 59 ILE HG2% A 54 MET HBy 1.0 1.481 2.441 1147 873 A 96 LEU HDy% A 59 ILE HG2% 1.0 1.667 3.071 1148 874 A 59 ILE HG2% A 97 GLY HAx 1.0 1.696 3.188 1149 875 A 59 ILE HG2% A 97 GLY H 1.0 1.808 3.714 1150 876 A 59 ILE HG2% A 59 ILE H 1.0 1.743 3.391 1151 877 A 59 ILE HD1% A 93 LEU HA 1.0 1.731 3.333 1152 878 A 59 ILE HD1% A 59 ILE HG1y 1.0 1.539 2.621 1153 879 A 59 ILE HD1% A 61 VAL HGx% 1.0 1.438 2.322 1154 880 A 59 ILE HD1% A 96 LEU HBy 1.0 1.767 3.499 1155 881 A 59 ILE HD1% A 60 LYS H 1.0 1.665 3.061 1156 882 A 59 ILE HD1% A 70 GLU H 1.0 1.837 3.875 1157 883 A 60 LYS HBy A 60 LYS H 1.0 1.810 3.728 1158 884 A 60 LYS HBx A 60 LYS H 1.0 1.823 3.797 1159 885 A 60 LYS HBx A 60 LYS HEy 1.0 1.877 4.141 1160 886 A 60 LYS HBx A 70 GLU HGx 1.0 1.832 3.850 1161 887 A 70 GLU HB3 A 60 LYS HBx 1.0 1.692 3.170 1162 888 A 70 GLU HB3 A 60 LYS HBy 1.0 1.699 3.197 1163 889 A 60 LYS HBx A 60 LYS HBy 1.0 1.454 2.366 1164 890 A 60 LYS HGx A 60 LYS HBy 1.0 1.696 3.184 1165 891 A 60 LYS HBx A 60 LYS HGy 1.0 1.720 3.290 1166 892 A 60 LYS HBx A 60 LYS HGx 1.0 1.723 3.301 1167 893 A 72 ILE HG2% A 60 LYS HBx 1.0 1.815 3.755 1168 894 A 72 ILE HG2% A 60 LYS HBy 1.0 1.828 3.826 1169 895 A 60 LYS HBx A 70 GLU H 1.0 1.912 4.406 1170 896 A 60 LYS HGy A 60 LYS HEy 1.0 1.723 3.299 1171 897 A 60 LYS HGy A 60 LYS HBy 1.0 1.641 2.967 1172 898 A 60 LYS HGx A 60 LYS HGy 1.0 1.327 2.031 1173 899 A 72 ILE HG2% A 60 LYS HGx 1.0 1.762 3.482 1174 900 A 72 ILE HG2% A 60 LYS HEx 1.0 1.715 3.265 1175 901 A 60 LYS HGx A 60 LYS HEx 1.0 1.726 3.314 1176 902 A 60 LYS HGx A 60 LYS HEy 1.0 1.714 3.262 1177 903 A 60 LYS HGy A 60 LYS HEx 1.0 1.752 3.430 1178 904 A 60 LYS HEy A 60 LYS HBy 1.0 1.784 3.588 1179 905 A 60 LYS HEx A 60 LYS HBy 1.0 1.894 4.262 1180 906 A 61 VAL HB A 61 VAL H 1.0 1.877 4.143 1181 907 A 61 VAL HB A 61 VAL HA 1.0 1.737 3.361 1182 908 A 61 VAL HA A 69 MET HA 1.0 1.811 3.727 1183 909 A 61 VAL HA A 62 HIS H 1.0 1.744 3.398 1184 910 A 61 VAL HA A 61 VAL H 1.0 1.892 4.244 1185 911 A 61 VAL HA A 70 GLU H 1.0 1.858 4.012 1186 912 A 61 VAL HGy% A 61 VAL H 1.0 1.714 3.262 1187 913 A 61 VAL HGx% A 61 VAL H 1.0 1.857 4.005 1188 914 A 61 VAL HGx% A 70 GLU H 1.0 1.814 3.748 1189 915 A 61 VAL HGy% A 69 MET HA 1.0 1.895 4.273 1190 916 A 61 VAL HGx% A 61 VAL HA 1.0 1.578 2.746 1191 917 A 61 VAL HB A 61 VAL HGx% 1.0 1.455 2.369 1192 918 A 62 HIS HBy A 62 HIS HBx 1.0 1.704 3.220 1193 919 A 62 HIS HBy A 62 HIS HA 1.0 1.769 3.513 1194 920 A 62 HIS HBx A 62 HIS HA 1.0 1.864 4.052 1195 921 A 62 HIS H A 62 HIS HA 1.0 1.867 4.069 1196 922 A 62 HIS H A 62 HIS HBx 1.0 1.829 3.827 1197 923 A 62 HIS H A 62 HIS HBy 1.0 1.867 4.069 1198 924 A 64 ALA HA A 64 ALA HB% 1.0 1.611 2.861 1199 925 A 63 SER HA A 64 ALA HB% 1.0 1.917 4.455 1200 926 A 64 ALA HB% A 62 HIS HE1 1.0 1.690 3.164 1201 927 A 84 VAL HB A 84 VAL HGx% 1.0 1.374 2.152 1202 928 A 84 VAL HB A 84 VAL HGy% 1.0 1.381 2.169 1203 929 A 88 GLU HG3 A 84 VAL HGx% 1.0 1.539 2.619 1204 930 A 88 GLU HG3 A 84 VAL HGy% 1.0 1.618 2.886 1205 931 A 94 VAL HB A 94 VAL HGx% 1.0 1.356 2.106 1206 932 A 84 VAL HGx% A 85 ASN HBy 1.0 1.869 4.085 1207 933 A 84 VAL HA A 84 VAL HGy% 1.0 1.453 2.365 1208 934 A 94 VAL HGx% A 94 VAL HA 1.0 1.455 2.367 1209 935 A 95 ALA HA A 94 VAL HGx% 1.0 1.744 3.394 1210 936 A 65 ASP HBy A 65 ASP HBx 1.0 1.686 3.142 1211 937 A 66 ASN HA A 66 ASN HBx 1.0 1.804 3.694 1212 938 A 66 ASN HBy A 66 ASN HA 1.0 1.802 3.678 1213 939 A 66 ASN HBy A 66 ASN HBx 1.0 1.619 2.889 1214 940 A 67 THR HA A 83 ALA HB% 1.0 1.778 3.558 1215 941 A 67 THR HA A 89 ARG HBy 1.0 1.829 3.833 1216 942 A 67 THR HB A 83 ALA HB% 1.0 1.803 3.685 1217 943 A 67 THR HA A 67 THR HB 1.0 1.753 3.437 1218 944 A 67 THR HB A 83 ALA H 1.0 1.819 3.777 1219 945 A 67 THR HG2% A 83 ALA H 1.0 1.818 3.770 1220 946 A 67 THR HG2% A 67 THR H 1.0 1.773 3.533 1221 947 A 67 THR HG2% A 85 ASN H 1.0 1.780 3.566 1222 948 A 67 THR HB A 67 THR HG2% 1.0 1.477 2.433 1223 949 A 67 THR HA A 67 THR HG2% 1.0 1.559 2.685 1224 950 A 86 ALA HA A 67 THR HG2% 1.0 1.617 2.883 1225 951 A 67 THR HG2% A 86 ALA HB% 1.0 1.559 2.687 1226 952 A 68 ARG HBx A 68 ARG HBy 1.0 1.796 3.652 1227 953 A 68 ARG HDy A 68 ARG HBx 1.0 1.869 4.087 1228 954 A 62 HIS HBy A 68 ARG HBy 1.0 1.862 4.036 1229 955 A 68 ARG HA A 68 ARG HBy 1.0 1.923 4.509 1230 956 A 68 ARG HA A 68 ARG H 1.0 1.821 3.789 1231 957 A 68 ARG H A 68 ARG HBy 1.0 1.904 4.346 1232 958 A 68 ARG H A 68 ARG HBx 1.0 1.939 4.661 1233 959 A 68 ARG HDy A 68 ARG HGy 1.0 1.842 3.910 1234 960 A 68 ARG HDx A 68 ARG HGy 1.0 1.893 4.257 1235 961 A 68 ARG HDx A 68 ARG HBx 1.0 1.884 4.188 1236 962 A 61 VAL HB A 69 MET HA 1.0 1.863 4.043 1237 963 A 13 LEU HDy% A 69 MET HE% 1.0 1.449 2.353 1238 964 A 69 MET HE% A 13 LEU HDx% 1.0 1.408 2.240 1239 965 A 69 MET HE% A 92 TRP HBx 1.0 1.546 2.642 1240 966 A 69 MET HE% A 92 TRP HBy 1.0 1.578 2.748 1241 967 A 69 MET HE% A 89 ARG HA 1.0 1.666 3.068 1242 968 A 69 MET HE% A 92 TRP HD1 1.0 1.755 3.443 1243 969 A 69 MET HE% A 92 TRP H 1.0 1.718 3.280 1244 970 A 69 MET HE% A 93 LEU H 1.0 1.651 3.007 1245 971 A 70 GLU HA A 71 LEU H 1.0 1.630 2.930 1246 972 A 70 GLU HA A 70 GLU H 1.0 1.847 3.941 1247 973 A 70 GLU HA A 81 MET H 1.0 1.854 3.984 1248 974 A 70 GLU HA A 70 GLU HB2 1.0 1.746 3.406 1249 975 A 70 GLU HGy A 70 GLU H 1.0 1.743 3.389 1250 976 A 60 LYS HBx A 70 GLU HGy 1.0 1.640 2.968 1251 977 A 71 LEU HA A 71 LEU H 1.0 1.853 3.981 1252 978 A 71 LEU HBx A 72 ILE H 1.0 1.868 4.072 1253 979 A 71 LEU HBy A 72 ILE H 1.0 1.904 4.342 1254 980 A 71 LEU HBy A 71 LEU H 1.0 1.832 3.850 1255 981 A 71 LEU HBx A 71 LEU H 1.0 1.939 4.665 1256 982 A 71 LEU HBx A 79 PHE HBy 1.0 1.900 4.314 1257 983 A 71 LEU HBx A 71 LEU HBy 1.0 1.537 2.615 1258 984 A 71 LEU HBx A 71 LEU HG 1.0 1.598 2.814 1259 985 A 71 LEU HG A 71 LEU HA 1.0 1.871 4.095 1260 986 A 71 LEU HDy% A 72 ILE H 1.0 1.733 3.347 1261 987 A 71 LEU HDy% A 60 LYS H 1.0 1.877 4.137 1262 988 A 71 LEU HDx% A 71 LEU H 1.0 1.819 3.777 1263 989 A 71 LEU HDx% A 72 ILE H 1.0 1.872 4.106 1264 990 A 71 LEU HA A 71 LEU HDx% 1.0 1.810 3.724 1265 991 A 71 LEU HDx% A 79 PHE HBx 1.0 1.884 4.188 1266 992 A 59 ILE HB A 71 LEU HDx% 1.0 1.671 3.081 1267 993 A 71 LEU HDx% A 81 MET HE% 1.0 1.464 2.396 1268 994 A 71 LEU HDx% A 54 MET HBx 1.0 1.769 3.513 1269 995 A 71 LEU HDx% A 54 MET HBy 1.0 1.645 2.985 1270 996 A 71 LEU HDy% A 54 MET HBx 1.0 1.770 3.516 1271 997 A 71 LEU HDy% A 54 MET HBy 1.0 1.569 2.717 1272 998 A 59 ILE HB A 71 LEU HDy% 1.0 1.649 2.999 1273 999 A 71 LEU HG A 71 LEU HDy% 1.0 1.431 2.301 1274 1000 A 71 LEU HBx A 71 LEU HDy% 1.0 1.491 2.475 1275 1001 A 71 LEU HDx% A 52 ILE HD1% 1.0 1.628 2.922 1276 1002 A 71 LEU HDy% A 52 ILE HD1% 1.0 1.755 3.443 1277 1003 A 72 ILE HA A 73 ILE H 1.0 1.637 2.955 1278 1004 A 72 ILE HG2% A 72 ILE HA 1.0 1.603 2.833 1279 1005 A 72 ILE HB A 72 ILE HA 1.0 1.893 4.263 1280 1006 A 72 ILE HA A 72 ILE H 1.0 1.889 4.225 1281 1007 A 72 ILE HB A 72 ILE H 1.0 1.760 3.468 1282 1008 A 72 ILE HG2% A 73 ILE H 1.0 1.841 3.905 1283 1009 A 72 ILE HG2% A 72 ILE H 1.0 1.680 3.122 1284 1010 A 72 ILE HG2% A 71 LEU HA 1.0 1.855 3.987 1285 1011 A 72 ILE HG2% A 60 LYS HEy 1.0 1.638 2.958 1286 1012 A 72 ILE HG2% A 77 GLN HBy 1.0 1.681 3.125 1287 1013 A 72 ILE HG2% A 60 LYS HGy 1.0 1.629 2.927 1288 1014 A 72 ILE HG2% A 72 ILE HG1x 1.0 1.475 2.425 1289 1015 A 72 ILE HB A 72 ILE HG1y 1.0 1.711 3.249 1290 1016 A 72 ILE HB A 72 ILE HG1x 1.0 1.794 3.636 1291 1017 A 72 ILE HG1y A 72 ILE HA 1.0 1.780 3.566 1292 1018 A 72 ILE HG1x A 72 ILE HA 1.0 1.885 4.197 1293 1019 A 72 ILE HG1y A 72 ILE H 1.0 1.759 3.461 1294 1020 A 72 ILE HG1x A 72 ILE H 1.0 1.876 4.128 1295 1021 A 72 ILE HD1% A 72 ILE HB 1.0 1.455 2.371 1296 1022 A 72 ILE HD1% A 58 GLU HBx 1.0 1.608 2.848 1297 1023 A 72 ILE HD1% A 58 GLU HBy 1.0 1.666 3.064 1298 1024 A 72 ILE HD1% A 72 ILE HG1y 1.0 1.588 2.780 1299 1025 A 72 ILE HD1% A 72 ILE HA 1.0 1.751 3.061 1300 1026 A 72 ILE HD1% A 72 ILE HG1x 1.0 1.555 2.671 1301 1027 A 74 PRO HGx A 73 ILE HB 1.0 1.747 3.405 1302 1028 A 73 ILE HB A 73 ILE H 1.0 1.807 3.705 1303 1029 A 73 ILE HG2% A 73 ILE H 1.0 1.782 3.574 1304 1030 A 53 LYS H A 73 ILE HG2% 1.0 1.786 3.596 1305 1031 A 73 ILE HG2% A 79 PHE HDx 1.0 1.784 3.588 1306 1031 A 73 ILE HG2% A 79 PHE HDy 1.0 1.784 3.588 1307 1032 A 73 ILE HG2% A 52 ILE HA 1.0 1.862 4.040 1308 1033 A 73 ILE HG2% A 73 ILE HB 1.0 1.509 2.529 1309 1034 A 73 ILE HG2% A 73 ILE HG1y 1.0 1.495 2.485 1310 1035 A 73 ILE HG2% A 52 ILE HD1% 1.0 1.649 3.001 1311 1036 A 73 ILE HG1x A 73 ILE H 1.0 1.868 4.076 1312 1037 A 73 ILE H A 73 ILE HG1y 1.0 1.813 3.741 1313 1038 A 73 ILE HB A 73 ILE HG1y 1.0 1.663 3.051 1314 1039 A 73 ILE HG1x A 73 ILE HB 1.0 1.722 3.296 1315 1040 A 73 ILE HG1x A 73 ILE HG1y 1.0 1.471 2.413 1316 1041 A 73 ILE HD1% A 73 ILE HG1x 1.0 1.748 3.412 1317 1042 A 73 ILE HD1% A 73 ILE HG1y 1.0 1.623 2.905 1318 1043 A 73 ILE HD1% A 73 ILE HB 1.0 1.427 2.291 1319 1044 A 73 ILE HD1% A 76 GLU HGx 1.0 1.652 3.012 1320 1045 A 73 ILE HD1% A 74 PRO HDx 1.0 1.673 3.091 1321 1046 A 73 ILE HD1% A 73 ILE H 1.0 1.747 3.411 1322 1047 A 74 PRO HA A 74 PRO HBx 1.0 1.621 2.897 1323 1048 A 74 PRO HA A 74 PRO HBy 1.0 1.633 2.939 1324 1049 A 74 PRO HA A 76 GLU H 1.0 1.848 3.948 1325 1050 A 74 PRO HDy A 74 PRO HBx 1.0 1.823 3.797 1326 1051 A 74 PRO HDx A 74 PRO HBx 1.0 1.782 3.580 1327 1052 A 74 PRO HDy A 74 PRO HBy 1.0 1.795 3.643 1328 1053 A 74 PRO HGx A 74 PRO HBy 1.0 1.458 2.376 1329 1054 A 74 PRO HBx A 74 PRO HBy 1.0 1.404 2.228 1330 1055 A 74 PRO HGy A 74 PRO HA 1.0 1.858 4.014 1331 1056 A 74 PRO HGx A 74 PRO HA 1.0 1.855 3.989 1332 1057 A 74 PRO HGx A 74 PRO HDx 1.0 1.682 3.126 1333 1058 A 74 PRO HGy A 74 PRO HDx 1.0 1.723 3.297 1334 1059 A 74 PRO HGy A 74 PRO HBx 1.0 1.633 2.941 1335 1060 A 74 PRO HGy A 74 PRO HGx 1.0 1.408 2.240 1336 1061 A 73 ILE HD1% A 74 PRO HGx 1.0 1.797 3.655 1337 1062 A 73 ILE HD1% A 74 PRO HDy 1.0 1.766 3.496 1338 1063 A 74 PRO HGx A 74 PRO HDy 1.0 1.710 3.242 1339 1064 A 74 PRO HGy A 74 PRO HDy 1.0 1.662 3.050 1340 1065 A 74 PRO HDy A 74 PRO HDx 1.0 1.528 2.586 1341 1066 A 75 GLY HAy A 75 GLY HAx 1.0 1.493 2.479 1342 1067 A 76 GLU H A 75 GLY HAy 1.0 1.870 4.086 1343 1068 A 77 GLN HA A 77 GLN HBy 1.0 1.761 3.473 1344 1069 A 77 GLN HBy A 77 GLN HBx 1.0 1.419 2.269 1345 1070 A 88 GLU HBy A 85 ASN H 1.0 1.713 3.255 1346 1071 A 88 GLU HBx A 85 ASN H 1.0 1.709 3.239 1347 1072 A 76 GLU HGy A 76 GLU HGx 1.0 1.289 1.941 1348 1073 A 76 GLU HGx A 76 GLU H 1.0 1.883 4.185 1349 1074 A 76 GLU HGy A 76 GLU H 1.0 1.902 4.330 1350 1075 A 72 ILE HB A 77 GLN HBx 1.0 1.621 2.897 1351 1076 A 72 ILE HB A 77 GLN HBy 1.0 1.676 3.104 1352 1077 A 79 PHE HBy A 79 PHE HBx 1.0 1.582 2.758 1353 1078 A 71 LEU HBx A 79 PHE HBx 1.0 1.783 3.583 1354 1079 A 71 LEU HBy A 79 PHE HBx 1.0 1.722 3.298 1355 1080 A 71 LEU HBy A 79 PHE HBy 1.0 1.737 3.359 1356 1081 A 71 LEU HDx% A 79 PHE HBy 1.0 1.938 4.654 1357 1082 A 79 PHE HBx A 79 PHE HDx 1.0 1.863 4.045 1358 1082 A 79 PHE HBx A 79 PHE HDy 1.0 1.863 4.045 1359 1083 A 79 PHE HBy A 79 PHE HDx 1.0 1.874 4.114 1360 1083 A 79 PHE HBy A 79 PHE HDy 1.0 1.874 4.114 1361 1084 A 79 PHE HBy A 71 LEU H 1.0 1.899 4.305 1362 1085 A 79 PHE HBy A 79 PHE H 1.0 1.870 4.088 1363 1086 A 79 PHE HBx A 79 PHE H 1.0 1.865 4.055 1364 1087 A 79 PHE HBx A 71 LEU H 1.0 1.875 4.131 1365 1088 A 80 TYR HBy A 80 TYR HBx 1.0 1.754 3.440 1366 1089 A 80 TYR HA A 80 TYR HBx 1.0 1.874 4.116 1367 1090 A 16 TRP HBy A 80 TYR HBx 1.0 1.906 4.362 1368 1091 A 80 TYR HA A 80 TYR HBy 1.0 1.907 4.373 1369 1092 A 80 TYR HBy A 81 MET H 1.0 1.854 3.986 1370 1093 A 80 TYR HBx A 81 MET H 1.0 1.868 4.076 1371 1094 A 16 TRP H A 80 TYR HBy 1.0 1.929 4.563 1372 1095 A 16 TRP H A 80 TYR HBx 1.0 1.927 4.543 1373 1096 A 81 MET HA A 81 MET H 1.0 1.867 4.073 1374 1097 A 81 MET HA A 82 LYS H 1.0 1.694 3.180 1375 1098 A 81 MET HBy A 81 MET HBx 1.0 1.582 2.760 1376 1099 A 81 MET HBy A 81 MET HGx 1.0 1.770 3.516 1377 1100 A 81 MET HGy A 81 MET HBx 1.0 1.728 3.322 1378 1101 A 81 MET HGy A 81 MET HBy 1.0 1.726 3.314 1379 1102 A 81 MET HBx A 81 MET HGx 1.0 1.777 3.549 1380 1103 A 81 MET HBy A 81 MET HA 1.0 1.815 3.753 1381 1104 A 81 MET HBx A 81 MET HA 1.0 1.827 3.819 1382 1105 A 81 MET HBy A 82 LYS H 1.0 1.856 3.998 1383 1106 A 81 MET HBx A 82 LYS H 1.0 1.902 4.324 1384 1107 A 81 MET HBy A 81 MET H 1.0 1.928 4.552 1385 1108 A 81 MET HBx A 81 MET H 1.0 1.930 4.576 1386 1109 A 81 MET HBy A 13 LEU HDx% 1.0 1.832 3.848 1387 1110 A 81 MET HBx A 13 LEU HDx% 1.0 1.863 4.043 1388 1111 A 84 VAL H A 84 VAL HB 1.0 1.612 2.866 1389 1112 A 81 MET HGy A 81 MET HA 1.0 1.818 3.766 1390 1113 A 81 MET HGy A 13 LEU HDx% 1.0 1.845 3.929 1391 1114 A 81 MET HGx A 13 LEU HDx% 1.0 1.802 3.680 1392 1115 A 81 MET HGy A 81 MET HGx 1.0 1.398 2.214 1393 1116 A 81 MET HE% A 13 LEU HDx% 1.0 1.396 2.208 1394 1117 A 13 LEU HDy% A 81 MET HE% 1.0 1.668 3.070 1395 1118 A 81 MET HGy A 81 MET HE% 1.0 1.488 2.466 1396 1119 A 81 MET HE% A 81 MET HGx 1.0 1.524 2.572 1397 1120 A 69 MET HE% A 81 MET HE% 1.0 1.407 2.239 1398 1121 A 79 PHE HBy A 81 MET HE% 1.0 1.848 3.948 1399 1122 A 70 GLU HA A 81 MET HE% 1.0 1.836 3.876 1400 1123 A 81 MET HE% A 28 PHE HDx 1.0 1.770 3.514 1401 1123 A 81 MET HE% A 28 PHE HDy 1.0 1.770 3.514 1402 1124 A 81 MET HE% A 28 PHE HEx 1.0 1.714 3.262 1403 1124 A 81 MET HE% A 28 PHE HEy 1.0 1.714 3.262 1404 1125 A 81 MET HE% A 70 GLU H 1.0 1.746 3.404 1405 1126 A 81 MET HE% A 71 LEU H 1.0 1.833 3.855 1406 1127 A 82 LYS HBy A 82 LYS HBx 1.0 1.557 2.679 1407 1128 A 82 LYS HBy A 82 LYS HDx 1.0 1.804 3.692 1408 1129 A 82 LYS HDy A 82 LYS HBx 1.0 1.804 3.692 1409 1130 A 82 LYS HDy A 82 LYS HBy 1.0 1.818 3.768 1410 1131 A 82 LYS HDx A 82 LYS HBx 1.0 1.858 4.012 1411 1132 A 14 TYR HBx A 82 LYS HBy 1.0 1.824 3.802 1412 1133 A 14 TYR HBy A 82 LYS HBx 1.0 1.915 4.441 1413 1134 A 82 LYS HBy A 82 LYS H 1.0 1.964 4.962 1414 1135 A 82 LYS HBx A 82 LYS H 1.0 1.887 4.205 1415 1136 A 82 LYS HEx A 82 LYS HDx 1.0 1.691 3.165 1416 1137 A 82 LYS HEy A 82 LYS HDx 1.0 1.673 3.091 1417 1138 A 82 LYS HDy A 82 LYS HEy 1.0 1.696 3.184 1418 1139 A 82 LYS HDy A 82 LYS HEx 1.0 1.699 3.197 1419 1140 A 82 LYS HBy A 82 LYS HEy 1.0 1.859 4.017 1420 1141 A 82 LYS HBy A 82 LYS HEx 1.0 1.875 4.121 1421 1142 A 82 LYS HEx A 82 LYS HEy 1.0 1.250 1.852 1422 1143 A 82 LYS HDy A 82 LYS HDx 1.0 1.449 2.351 1423 1144 A 13 LEU HDy% A 83 ALA HB% 1.0 1.555 2.673 1424 1145 A 83 ALA HB% A 88 GLU HBx 1.0 1.572 2.730 1425 1146 A 83 ALA HB% A 88 GLU HBy 1.0 1.637 2.955 1426 1147 A 83 ALA HB% A 89 ARG HA 1.0 1.639 2.963 1427 1148 A 84 VAL H A 83 ALA HB% 1.0 1.598 2.818 1428 1149 A 83 ALA HB% A 83 ALA H 1.0 1.601 2.827 1429 1150 A 83 ALA HB% A 89 ARG H 1.0 1.630 2.930 1430 1151 A 83 ALA HB% A 85 ASN H 1.0 1.580 2.754 1431 1152 A 83 ALA HB% A 13 LEU HDx% 1.0 1.828 3.826 1432 1153 A 84 VAL H A 84 VAL HA 1.0 1.643 2.977 1433 1154 A 84 VAL HA A 85 ASN H 1.0 1.739 3.373 1434 1155 A 84 VAL HB A 84 VAL HA 1.0 1.533 2.599 1435 1156 A 84 VAL HB A 85 ASN H 1.0 1.793 3.633 1436 1157 A 84 VAL H A 84 VAL HGy% 1.0 1.530 2.592 1437 1158 A 84 VAL HGx% A 85 ASN HD21 1.0 1.815 3.749 1438 1159 A 84 VAL HGx% A 85 ASN H 1.0 1.613 2.867 1439 1160 A 84 VAL HGy% A 14 TYR HDy 1.0 1.676 3.104 1440 1160 A 84 VAL HGy% A 14 TYR HDx 1.0 1.676 3.104 1441 1161 A 85 ASN H A 85 ASN HA 1.0 1.769 3.513 1442 1162 A 67 THR HG2% A 85 ASN HA 1.0 1.657 3.031 1443 1163 A 85 ASN HD21 A 85 ASN HA 1.0 1.883 4.181 1444 1164 A 84 VAL HGx% A 85 ASN HA 1.0 1.920 4.486 1445 1165 A 85 ASN HA A 85 ASN HBx 1.0 1.793 3.629 1446 1166 A 85 ASN HBy A 85 ASN HA 1.0 1.841 3.907 1447 1167 A 91 ARG H A 87 ALA HA 1.0 1.869 4.083 1448 1168 A 90 GLN HBx A 87 ALA HA 1.0 1.613 2.869 1449 1169 A 90 GLN HGy A 87 ALA HA 1.0 1.777 3.553 1450 1170 A 86 ALA HA A 86 ALA HB% 1.0 1.416 2.262 1451 1171 A 87 ALA HB% A 90 GLN HBx 1.0 1.707 3.229 1452 1172 A 90 GLN HGy A 87 ALA HB% 1.0 1.683 3.129 1453 1173 A 87 ALA HB% A 87 ALA HA 1.0 1.352 2.094 1454 1174 A 87 ALA HB% A 90 GLN H 1.0 1.853 3.979 1455 1175 A 87 ALA HB% A 87 ALA H 1.0 1.489 2.467 1456 1176 A 87 ALA HB% A 88 GLU H 1.0 1.509 2.527 1457 1177 A 88 GLU HA A 88 GLU H 1.0 1.708 3.232 1458 1178 A 88 GLU HA A 91 ARG H 1.0 1.766 3.500 1459 1179 A 84 VAL HGx% A 88 GLU HBy 1.0 1.744 3.392 1460 1180 A 88 GLU HBx A 88 GLU HBy 1.0 1.505 2.517 1461 1181 A 88 GLU HG3 A 88 GLU HBy 1.0 1.555 2.671 1462 1182 A 88 GLU HBy A 89 ARG H 1.0 1.806 3.702 1463 1183 A 88 GLU HBx A 89 ARG H 1.0 1.833 3.859 1464 1184 A 88 GLU HBx A 88 GLU H 1.0 1.692 3.170 1465 1185 A 88 GLU HBy A 88 GLU H 1.0 1.666 3.064 1466 1186 A 84 VAL H A 88 GLU HBx 1.0 1.936 4.632 1467 1187 A 89 ARG HA A 89 ARG H 1.0 1.718 3.280 1468 1188 A 89 ARG HBy A 89 ARG HA 1.0 1.685 3.137 1469 1189 A 92 TRP HD1 A 89 ARG HA 1.0 1.829 3.833 1470 1190 A 90 GLN H A 89 ARG HA 1.0 1.874 4.120 1471 1191 A 89 ARG HBx A 89 ARG HBy 1.0 1.731 3.333 1472 1192 A 89 ARG HBx A 89 ARG H 1.0 1.799 3.663 1473 1193 A 89 ARG HBy A 89 ARG H 1.0 1.889 4.229 1474 1194 A 89 ARG HBx A 89 ARG HA 1.0 1.906 4.366 1475 1195 A 90 GLN HA A 91 ARG H 1.0 1.808 3.716 1476 1196 A 90 GLN HA A 90 GLN H 1.0 1.696 3.184 1477 1197 A 90 GLN HA A 94 VAL H 1.0 1.892 4.256 1478 1198 A 90 GLN HA A 93 LEU H 1.0 1.755 3.445 1479 1199 A 90 GLN HBx A 91 ARG H 1.0 1.730 3.332 1480 1200 A 90 GLN HBy A 91 ARG H 1.0 1.745 3.397 1481 1201 A 90 GLN HBx A 90 GLN H 1.0 1.652 3.010 1482 1202 A 90 GLN HBy A 90 GLN H 1.0 1.653 3.015 1483 1203 A 90 GLN HBx A 89 ARG H 1.0 1.956 4.858 1484 1204 A 90 GLN HA A 90 GLN HBx 1.0 1.677 3.111 1485 1205 A 90 GLN HBy A 87 ALA HA 1.0 1.764 3.488 1486 1206 A 87 ALA HB% A 90 GLN HBy 1.0 1.850 3.962 1487 1207 A 90 GLN HGy A 90 GLN H 1.0 1.488 3.910 1488 1208 A 90 GLN HGy A 91 ARG H 1.0 1.861 4.031 1489 1209 A 90 GLN HGx A 91 ARG H 1.0 1.857 4.003 1490 1210 A 90 GLN HGy A 90 GLN HE22 1.0 1.809 3.721 1491 1211 A 90 GLN HGx A 90 GLN HE22 1.0 1.890 4.234 1492 1212 A 90 GLN HA A 90 GLN HGx 1.0 1.707 3.231 1493 1213 A 90 GLN HGy A 90 GLN HBx 1.0 1.452 2.362 1494 1214 A 90 GLN HGy A 94 VAL HGy% 1.0 1.711 3.247 1495 1215 A 90 GLN HGx A 87 ALA HA 1.0 1.914 4.420 1496 1216 A 91 ARG HA A 95 ALA H 1.0 1.898 4.294 1497 1217 A 91 ARG HBy A 91 ARG HBx 1.0 1.425 2.287 1498 1218 A 91 ARG HBy A 91 ARG HGx 1.0 1.634 2.944 1499 1219 A 91 ARG HA A 91 ARG HBy 1.0 1.705 3.223 1500 1220 A 91 ARG HBy A 88 GLU HA 1.0 1.812 3.730 1501 1221 A 91 ARG HBx A 91 ARG H 1.0 1.671 3.083 1502 1222 A 91 ARG HBy A 91 ARG H 1.0 1.683 3.131 1503 1223 A 91 ARG HBy A 92 TRP H 1.0 1.860 4.020 1504 1224 A 91 ARG HBx A 92 TRP H 1.0 1.809 3.719 1505 1225 A 91 ARG HGy A 91 ARG HGx 1.0 1.393 2.199 1506 1226 A 91 ARG HGx A 91 ARG HBx 1.0 1.590 2.790 1507 1227 A 91 ARG HGy A 91 ARG HBx 1.0 1.560 2.690 1508 1228 A 91 ARG HA A 91 ARG HGy 1.0 1.716 3.272 1509 1229 A 91 ARG HA A 91 ARG HGx 1.0 1.674 3.096 1510 1230 A 91 ARG HGy A 91 ARG H 1.0 1.715 3.263 1511 1231 A 91 ARG HGx A 91 ARG H 1.0 1.776 3.548 1512 1232 A 92 TRP HA A 92 TRP H 1.0 1.725 3.309 1513 1233 A 92 TRP HA A 95 ALA H 1.0 1.811 3.727 1514 1234 A 92 TRP HE3 A 92 TRP HA 1.0 1.768 3.510 1515 1235 A 92 TRP HA A 93 LEU H 1.0 1.892 4.250 1516 1236 A 92 TRP HBy A 92 TRP HA 1.0 1.717 3.273 1517 1237 A 92 TRP HBx A 92 TRP HA 1.0 1.682 3.128 1518 1238 A 96 LEU HG A 92 TRP HA 1.0 1.853 3.981 1519 1239 A 95 ALA HB% A 92 TRP HA 1.0 1.653 3.015 1520 1240 A 96 LEU HDx% A 92 TRP HA 1.0 1.782 3.580 1521 1241 A 92 TRP HBx A 92 TRP HBy 1.0 1.652 3.008 1522 1242 A 92 TRP HBx A 93 LEU HA 1.0 1.868 4.078 1523 1243 A 93 LEU HDy% A 92 TRP HBy 1.0 1.801 3.679 1524 1244 A 92 TRP HBx A 92 TRP HE3 1.0 1.831 3.845 1525 1245 A 92 TRP HBx A 92 TRP HD1 1.0 1.886 4.200 1526 1246 A 92 TRP HBy A 92 TRP HD1 1.0 1.917 4.457 1527 1247 A 92 TRP HBy A 92 TRP HE3 1.0 1.880 4.154 1528 1248 A 92 TRP HBy A 92 TRP H 1.0 1.744 3.390 1529 1249 A 92 TRP HBx A 92 TRP H 1.0 1.735 3.355 1530 1250 A 92 TRP HBy A 93 LEU H 1.0 1.884 4.190 1531 1251 A 93 LEU HA A 93 LEU H 1.0 1.721 3.295 1532 1252 A 93 LEU HA A 96 LEU H 1.0 1.870 4.092 1533 1253 A 93 LEU HA A 94 VAL H 1.0 1.770 3.520 1534 1254 A 93 LEU HA A 96 LEU HBy 1.0 1.813 3.739 1535 1255 A 61 VAL HGx% A 93 LEU HA 1.0 1.749 3.417 1536 1256 A 93 LEU HBy A 93 LEU H 1.0 1.703 3.213 1537 1257 A 93 LEU HBx A 93 LEU H 1.0 1.745 3.397 1538 1258 A 93 LEU HBy A 94 VAL H 1.0 1.759 3.461 1539 1259 A 93 LEU HBx A 94 VAL H 1.0 1.787 3.599 1540 1260 A 93 LEU HBx A 93 LEU HA 1.0 1.624 2.908 1541 1261 A 93 LEU HA A 93 LEU HBy 1.0 1.629 2.925 1542 1262 A 93 LEU HBx A 93 LEU HBy 1.0 1.504 2.510 1543 1263 A 93 LEU HG A 93 LEU H 1.0 1.733 3.343 1544 1264 A 93 LEU HA A 93 LEU HG 1.0 1.766 3.500 1545 1265 A 93 LEU HBx A 93 LEU HG 1.0 1.759 3.467 1546 1266 A 93 LEU HDx% A 93 LEU HG 1.0 1.512 2.536 1547 1267 A 93 LEU HDy% A 93 LEU H 1.0 1.655 3.019 1548 1268 A 93 LEU HDy% A 94 VAL H 1.0 1.857 4.003 1549 1269 A 93 LEU HDx% A 93 LEU H 1.0 1.681 3.125 1550 1270 A 93 LEU HDx% A 94 VAL H 1.0 1.836 3.872 1551 1271 A 93 LEU HDy% A 93 LEU HA 1.0 1.415 2.257 1552 1272 A 90 GLN HA A 93 LEU HDx% 1.0 1.603 2.833 1553 1273 A 61 VAL HB A 93 LEU HDy% 1.0 1.751 3.425 1554 1274 A 69 MET HE% A 93 LEU HDy% 1.0 1.588 2.780 1555 1275 A 61 VAL HB A 93 LEU HDx% 1.0 1.862 4.040 1556 1276 A 93 LEU HDx% A 90 GLN HBy 1.0 1.832 3.850 1557 1277 A 69 MET HE% A 93 LEU HDx% 1.0 1.700 3.202 1558 1278 A 94 VAL HA A 94 VAL H 1.0 1.595 2.805 1559 1279 A 94 VAL HA A 95 ALA H 1.0 1.717 3.271 1560 1280 A 94 VAL HB A 94 VAL HA 1.0 1.621 2.897 1561 1281 A 94 VAL HB A 94 VAL H 1.0 1.594 2.800 1562 1282 A 94 VAL HB A 95 ALA H 1.0 1.673 3.093 1563 1283 A 94 VAL HGx% A 95 ALA H 1.0 1.626 2.916 1564 1284 A 94 VAL HGx% A 94 VAL H 1.0 1.582 3.160 1565 1285 A 94 VAL HGy% A 94 VAL HGx% 1.0 1.283 1.927 1566 1286 A 94 VAL HGy% A 94 VAL HB 1.0 1.392 2.198 1567 1287 A 90 GLN HGx A 94 VAL HGy% 1.0 1.590 2.786 1568 1288 A 94 VAL HGy% A 94 VAL HA 1.0 1.410 2.246 1569 1289 A 91 ARG HA A 94 VAL HGy% 1.0 1.603 2.831 1570 1290 A 94 VAL HGy% A 94 VAL H 1.0 1.425 2.285 1571 1291 A 95 ALA HA A 95 ALA H 1.0 1.638 2.958 1572 1292 A 95 ALA HA A 96 LEU H 1.0 1.868 4.074 1573 1293 A 9 MET HBy A 95 ALA HB% 1.0 1.512 2.536 1574 1294 A 95 ALA HB% A 96 LEU HG 1.0 1.702 3.210 1575 1295 A 95 ALA HB% A 94 VAL HB 1.0 1.780 3.566 1576 1296 A 95 ALA HA A 95 ALA HB% 1.0 1.372 2.144 1577 1297 A 96 LEU HA A 97 GLY H 1.0 1.866 4.062 1578 1298 A 96 LEU HBx A 97 GLY H 1.0 1.833 3.851 1579 1299 A 96 LEU HBy A 97 GLY H 1.0 1.857 4.001 1580 1300 A 96 LEU HBx A 96 LEU H 1.0 1.770 3.514 1581 1301 A 96 LEU HBy A 96 LEU H 1.0 1.818 3.768 1582 1302 A 96 LEU HBx A 96 LEU HG 1.0 1.868 4.074 1583 1303 A 96 LEU HBx A 96 LEU HBy 1.0 1.648 2.996 1584 1304 A 96 LEU HDy% A 96 LEU HBx 1.0 1.769 3.515 1585 1305 A 96 LEU HDy% A 96 LEU HBy 1.0 1.787 3.605 1586 1306 A 96 LEU HG A 96 LEU H 1.0 1.756 3.450 1587 1307 A 92 TRP HE3 A 96 LEU HG 1.0 1.846 3.938 1588 1308 A 96 LEU HA A 96 LEU HG 1.0 1.813 3.737 1589 1309 A 96 LEU HBy A 96 LEU HG 1.0 1.867 4.069 1590 1310 A 96 LEU HDx% A 96 LEU H 1.0 1.753 3.433 1591 1311 A 96 LEU HDx% A 93 LEU H 1.0 1.921 4.485 1592 1312 A 96 LEU HDx% A 97 GLY H 1.0 1.897 4.285 1593 1313 A 96 LEU HDx% A 92 TRP HE3 1.0 1.732 3.342 1594 1314 A 96 LEU HDx% A 93 LEU HA 1.0 1.643 2.977 1595 1315 A 96 LEU HDx% A 92 TRP HBx 1.0 1.821 3.787 1596 1316 A 96 LEU HDx% A 96 LEU HG 1.0 1.619 2.887 1597 1317 A 96 LEU HDx% A 96 LEU HBx 1.0 1.588 2.780 1598 1318 A 96 LEU HDx% A 59 ILE HB 1.0 1.662 3.050 1599 1319 A 96 LEU HDx% A 96 LEU HBy 1.0 1.606 2.844 1600 1320 A 96 LEU HDy% A 96 LEU H 1.0 1.717 3.273 1601 1321 A 96 LEU HDy% A 92 TRP HE3 1.0 1.717 3.275 1602 1322 A 92 TRP HZ3 A 96 LEU HDy% 1.0 1.816 3.756 1603 1323 A 96 LEU HA A 96 LEU HDy% 1.0 1.481 2.443 1604 1324 A 96 LEU HDy% A 54 MET HGx 1.0 1.810 3.722 1605 1325 A 96 LEU HDy% A 96 LEU HG 1.0 1.534 2.602 1606 1326 A 96 LEU HDy% A 54 MET HGy 1.0 1.745 3.395 1607 1327 A 96 LEU HDy% A 54 MET HBy 1.0 1.484 2.452 1608 1328 A 96 LEU HDx% A 96 LEU HDy% 1.0 1.276 1.912 1609 1329 A 97 GLY HAy A 98 SER H 1.0 1.899 4.307 1610 1330 A 97 GLY HAx A 98 SER H 1.0 1.930 4.582 1611 1331 A 98 SER HA A 98 SER H 1.0 1.720 3.284 1612 1332 A 98 SER HA A 101 ALA HB% 1.0 1.668 3.074 1613 1333 A 98 SER HBx A 98 SER H 1.0 1.664 3.056 1614 1334 A 98 SER HBy A 98 SER H 1.0 1.675 3.099 1615 1335 A 98 SER HBx A 98 SER HA 1.0 1.632 2.936 1616 1336 A 98 SER HBy A 98 SER HA 1.0 1.621 2.897 1617 1337 A 99 SER HBx A 99 SER HA 1.0 1.573 2.729 1618 1338 A 99 SER HBy A 99 SER HBx 1.0 1.450 2.354 1619 1339 A 99 SER HBy A 99 SER HA 1.0 1.658 3.036 1620 1340 A 100 LYS HA A 100 LYS H 1.0 1.855 3.989 1621 1341 A 100 LYS HEx A 100 LYS HGx 1.0 1.753 3.433 1622 1342 A 100 LYS HEx A 100 LYS HGy 1.0 1.734 3.350 1623 1343 A 100 LYS HBx A 100 LYS HGx 1.0 1.697 3.187 1624 1344 A 100 LYS HBx A 100 LYS HGy 1.0 1.702 3.210 1625 1345 A 100 LYS HGy A 103 LEU HBy 1.0 1.544 2.634 1626 1346 A 103 LEU HBy A 100 LYS HGx 1.0 1.485 2.455 1627 1347 A 100 LYS HGy A 100 LYS HGx 1.0 1.449 2.353 1628 1348 A 100 LYS HEx A 100 LYS HDx 1.0 1.597 2.811 1629 1349 A 100 LYS HDy A 59 ILE HG2% 1.0 1.763 3.481 1630 1350 A 59 ILE HG2% A 100 LYS HDx 1.0 1.738 3.366 1631 1351 A 100 LYS HEy A 100 LYS HGy 1.0 1.756 3.448 1632 1352 A 100 LYS HEy A 100 LYS HGx 1.0 1.753 3.433 1633 1353 A 100 LYS HEx A 103 LEU HBy 1.0 1.514 2.542 1634 1354 A 100 LYS HEy A 100 LYS HBx 1.0 1.634 3.446 1635 1355 A 101 ALA H A 101 ALA HA 1.0 1.770 3.516 1636 1356 A 101 ALA HB% A 97 GLY HAy 1.0 1.781 3.571 1637 1357 A 101 ALA HB% A 101 ALA HA 1.0 1.379 2.163 1638 1358 A 97 GLY HAy A 101 ALA HA 1.0 1.849 3.955 1639 1359 A 102 CYS HA A 101 ALA HB% 1.0 1.834 3.864 1640 1360 A 102 CYS HA A 102 CYS H 1.0 1.921 4.485 1641 1361 A 103 LEU HA A 103 LEU HBx 1.0 1.558 2.680 1642 1362 A 103 LEU HBy A 103 LEU HDy% 1.0 1.541 2.627 1643 1363 A 103 LEU HBy A 103 LEU HBx 1.0 1.292 1.948 1644 1364 A 103 LEU HG A 103 LEU HA 1.0 1.825 3.805 1645 1365 A 103 LEU HA A 103 LEU HDx% 1.0 1.513 2.537 1646 1366 A 3 LEU HA A 103 LEU HDx% 1.0 1.586 2.772 1647 1367 A 103 LEU HG A 103 LEU HDx% 1.0 1.429 2.297 1648 1368 A 103 LEU HDx% A 103 LEU HBx 1.0 1.440 2.328 1649 1369 A 55 ALA HA A 103 LEU HDy% 1.0 1.716 3.272 1650 1370 A 103 LEU HDy% A 103 LEU HBx 1.0 1.558 2.680 1651 1371 A 103 LEU HG A 103 LEU HBx 1.0 1.353 2.463 1652 1372 A 55 ALA HB% A 103 LEU HG 1.0 1.851 3.967 1653 1373 A 103 LEU HA A 103 LEU HDy% 1.0 1.882 4.178 1654 1374 A 104 THR HB A 104 THR HG2% 1.0 1.380 2.168 1655 1375 A 104 THR HG2% A 104 THR HA 1.0 1.513 2.539 1656 1376 A 106 THR HG2% A 106 THR HA 1.0 1.582 2.760 1657 1377 A 104 THR HB A 104 THR HA 1.0 1.487 2.461 1658 1378 A 105 ASP HBy A 105 ASP HBx 1.0 1.160 1.656 1659 1379 A 106 THR HG2% A 106 THR HB 1.0 1.380 2.164 1660 1380 A 107 ARG HA A 107 ARG HBx 1.0 1.711 3.249 1661 1381 A 107 ARG HA A 107 ARG HBy 1.0 1.820 3.782 1662 1382 A 107 ARG HBx A 107 ARG HBy 1.0 1.168 1.672 1663 1383 A 108 THR H A 108 THR HA 1.0 1.804 3.690 1664 1384 A 108 THR H A 108 THR HB 1.0 1.838 3.884 1665 1385 A 108 THR HA A 108 THR HG2% 1.0 1.703 3.213 1666 1386 A 108 THR HB A 108 THR HG2% 1.0 1.473 2.419 1667 1387 A 108 THR HA A 108 THR HB 1.0 1.313 1.999 1668 1388 A 42 ASP HBx A 42 ASP HBy 1.0 1.388 2.186 1669 1389 A 42 ASP H A 42 ASP HBy 1.0 1.777 3.549 1670 1390 A 42 ASP H A 42 ASP HBx 1.0 1.783 3.583 1671 1391 A 43 ASP H A 42 ASP HBy 1.0 1.855 3.989 1672 1392 A 86 ALA HA A 89 ARG H 1.0 1.770 3.516 1673 1393 A 70 GLU HB2 A 80 TYR HA 1.0 1.822 3.792 1674 1394 A 70 GLU HGx A 80 TYR HA 1.0 1.816 3.756 1675 1395 A 19 TYR HA A 16 TRP HZ2 1.0 1.712 3.254 1676 1396 A 96 LEU HDy% A 92 TRP HBx 1.0 1.915 4.431 1677 1397 A 96 LEU HDy% A 35 LEU HG 1.0 1.716 3.272 1678 1398 A 16 TRP HA A 16 TRP HE3 1.0 1.940 4.670 1679 1399 A 83 ALA HB% A 83 ALA HA 1.0 1.914 4.422 1680 1400 A 35 LEU HG A 28 PHE HEy 1.0 1.902 4.328 1681 1400 A 35 LEU HG A 28 PHE HEx 1.0 1.902 4.328 1682 1401 A 14 TYR HDy A 14 TYR HBy 1.0 1.872 4.104 1683 1401 A 14 TYR HDx A 14 TYR HBy 1.0 1.872 4.104 1684 1402 A 14 TYR HBx A 14 TYR HDy 1.0 1.877 4.135 1685 1402 A 14 TYR HBx A 14 TYR HDx 1.0 1.877 4.135 1686 1403 A 36 SER HA A 37 TYR HBy 1.0 1.938 4.648 1687 1404 A 37 TYR HBy A 37 TYR HDy 1.0 1.901 4.313 1688 1404 A 37 TYR HBy A 37 TYR HDx 1.0 1.901 4.313 1689 1405 A 38 TYR HBy A 40 SER H 1.0 1.859 4.021 1690 1406 A 38 TYR HBy A 43 ASP H 1.0 1.881 4.169 1691 1407 A 38 TYR HDy A 38 TYR HBx 1.0 1.917 4.453 1692 1407 A 38 TYR HDx A 38 TYR HBx 1.0 1.917 4.453 1693 1408 A 38 TYR HBy A 38 TYR HBx 1.0 1.671 3.085 1694 1409 A 64 ALA HB% A 65 ASP H 1.0 1.838 3.882 1695 1410 A 86 ALA HB% A 66 ASN HD22 1.0 1.870 4.092 1696 1411 A 86 ALA HB% A 66 ASN HD21 1.0 1.909 4.385 1697 1412 A 86 ALA HB% A 89 ARG H 1.0 1.866 4.058 1698 1413 A 87 ALA H A 86 ALA HB% 1.0 1.666 3.064 1699 1414 A 66 ASN HBy A 86 ALA HB% 1.0 1.691 3.167 1700 1415 A 86 ALA HB% A 66 ASN HBx 1.0 1.746 3.404 1701 1416 A 89 ARG HBx A 86 ALA HB% 1.0 1.834 3.862 1702 1417 A 44 VAL HGy% A 27 TRP HZ2 1.0 1.754 3.440 1703 1418 A 92 TRP HE1 A 9 MET HE% 1.0 1.634 2.944 1704 1419 A 9 MET HE% A 92 TRP H 1.0 1.715 3.263 1705 1420 A 9 MET HE% A 92 TRP HD1 1.0 1.663 3.053 1706 1421 A 9 MET HE% A 92 TRP HE3 1.0 1.771 3.525 1707 1422 A 92 TRP HZ2 A 9 MET HE% 1.0 1.717 3.273 1708 1423 A 9 MET HE% A 92 TRP HA 1.0 1.531 2.593 1709 1424 A 91 ARG HA A 9 MET HE% 1.0 1.727 3.317 1710 1425 A 91 ARG HBx A 9 MET HE% 1.0 1.561 2.693 1711 1426 A 91 ARG HBy A 9 MET HE% 1.0 1.531 2.593 1712 1427 A 91 ARG HGx A 9 MET HE% 1.0 1.633 2.943 1713 1428 A 9 MET HE% A 13 LEU HDx% 1.0 1.888 4.216 1714 1429 A 58 GLU H A 72 ILE HG2% 1.0 1.893 4.261 1715 1430 A 72 ILE HG2% A 60 LYS H 1.0 1.873 4.111 1716 1431 A 73 ILE HD1% A 76 GLU H 1.0 1.833 3.853 1717 1432 A 91 ARG HBx A 90 GLN H 1.0 1.932 4.592 1718 1433 A 94 VAL HGy% A 90 GLN HE21 1.0 1.866 4.058 1719 1434 A 55 ALA HB% A 107 ARG HBy 1.0 1.789 3.609 1720 1435 A 101 ALA H A 100 LYS HA 1.0 1.873 4.109 1721 1436 A 103 LEU H A 100 LYS HA 1.0 1.937 4.647 1722 1437 A 44 VAL HGx% A 27 TRP HE1 1.0 1.780 3.570 1723 1438 A 44 VAL HGy% A 43 ASP H 1.0 1.783 3.585 1724 1439 A 91 ARG HA A 94 VAL HGx% 1.0 1.666 3.064 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 100 LYS H A 96 LEU O 1.0 1.8 2.4 2 2 A 96 LEU O A 100 LYS N 1.0 2.6 3.4 3 3 A 99 SER H A 95 ALA O 1.0 1.8 2.4 4 4 A 95 ALA O A 99 SER N 1.0 2.6 3.4 5 5 A 96 LEU H A 92 TRP O 1.0 1.8 2.4 6 6 A 92 TRP O A 96 LEU N 1.0 2.6 3.4 7 7 A 95 ALA H A 91 ARG O 1.0 1.8 2.4 8 8 A 91 ARG O A 95 ALA N 1.0 2.6 3.4 9 9 A 94 VAL H A 90 GLN O 1.0 1.8 2.4 10 10 A 90 GLN O A 94 VAL N 1.0 2.6 3.4 11 11 A 93 LEU H A 89 ARG O 1.0 1.8 2.4 12 12 A 89 ARG O A 93 LEU N 1.0 2.6 3.4 13 13 A 92 TRP H A 88 GLU O 1.0 1.8 2.4 14 14 A 88 GLU O A 92 TRP N 1.0 2.6 3.4 15 15 A 89 ARG H A 85 ASN O 1.0 1.8 2.4 16 16 A 85 ASN O A 89 ARG N 1.0 2.6 3.4 17 17 A 82 LYS H A 14 TYR O 1.0 1.8 2.4 18 18 A 14 TYR O A 82 LYS N 1.0 2.6 3.4 19 19 A 81 MET H A 69 MET O 1.0 1.8 2.4 20 20 A 69 MET O A 81 MET N 1.0 2.6 3.4 21 21 A 72 ILE H A 58 GLU O 1.0 1.8 2.4 22 22 A 58 GLU O A 72 ILE N 1.0 2.6 3.4 23 23 A 71 LEU H A 79 PHE O 1.0 1.8 2.4 24 24 A 79 PHE O A 71 LEU N 1.0 2.6 3.4 25 25 A 70 GLU H A 60 LYS O 1.0 1.8 2.4 26 26 A 60 LYS O A 70 GLU N 1.0 2.6 3.4 27 27 A 60 LYS H A 70 GLU O 1.0 1.8 2.4 28 28 A 70 GLU O A 60 LYS N 1.0 2.6 3.4 29 29 A 57 CYS H A 57 CYS O 1.0 1.8 2.4 30 30 A 57 CYS O A 57 CYS N 1.0 2.6 3.4 31 31 A 46 LYS H A 43 ASP O 1.0 1.8 2.4 32 32 A 43 ASP O A 46 LYS N 1.0 2.6 3.4 33 33 A 40 SER H A 40 SER O 1.0 1.8 2.4 34 34 A 40 SER O A 40 SER N 1.0 2.6 3.4 35 35 A 38 TYR H A 27 TRP O 1.0 1.8 2.4 36 36 A 27 TRP O A 38 TYR N 1.0 2.6 3.4 37 37 A 37 TYR H A 50 GLY O 1.0 1.8 2.4 38 38 A 50 GLY O A 37 TYR N 1.0 2.6 3.4 39 39 A 36 SER H A 29 VAL O 1.0 1.8 2.4 40 40 A 29 VAL O A 36 SER N 1.0 2.6 3.4 41 41 A 35 LEU H A 52 ILE O 1.0 1.8 2.4 42 42 A 52 ILE O A 35 LEU N 1.0 2.6 3.4 43 43 A 34 ILE H A 31 ASP O 1.0 1.8 2.4 44 44 A 31 ASP O A 34 ILE N 1.0 2.6 3.4 45 45 A 31 ASP H A 34 ILE O 1.0 1.8 2.4 46 46 A 34 ILE O A 31 ASP N 1.0 2.6 3.4 47 47 A 30 LEU H A 9 MET O 1.0 1.8 2.4 48 48 A 9 MET O A 30 LEU N 1.0 2.6 3.4 49 49 A 29 VAL H A 36 SER O 1.0 1.8 2.4 50 50 A 36 SER O A 29 VAL N 1.0 2.6 3.4 51 51 A 28 PHE H A 11 GLY O 1.0 1.8 2.4 52 52 A 11 GLY O A 28 PHE N 1.0 2.6 3.4 53 53 A 27 TRP H A 38 TYR O 1.0 1.8 2.4 54 54 A 38 TYR O A 27 TRP N 1.0 2.6 3.4 55 55 A 26 ARG H A 13 LEU O 1.0 1.8 2.4 56 56 A 13 LEU O A 26 ARG N 1.0 2.6 3.4 57 57 A 24 GLN H A 15 LYS O 1.0 1.8 2.4 58 58 A 15 LYS O A 24 GLN N 1.0 2.6 3.4 59 59 A 15 LYS H A 24 GLN O 1.0 1.8 2.4 60 60 A 24 GLN O A 15 LYS N 1.0 2.6 3.4 61 61 A 14 TYR H A 82 LYS O 1.0 1.8 2.4 62 62 A 82 LYS O A 14 TYR N 1.0 2.6 3.4 63 63 A 13 LEU H A 26 ARG O 1.0 1.8 2.4 64 64 A 26 ARG O A 13 LEU N 1.0 2.6 3.4 65 65 A 11 GLY H A 28 PHE O 1.0 1.8 2.4 66 66 A 28 PHE O A 11 GLY N 1.0 2.6 3.4 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _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 7 GLU C A 8 PHE N A 8 PHE CA A 8 PHE C 1.0 -150.0 -93.50 PHI 2 2 A 8 PHE N A 8 PHE CA A 8 PHE C A 9 MET N 1.0 100.0 168.06 PSI 3 3 A 8 PHE C A 9 MET N A 9 MET CA A 9 MET C 1.0 -170.0 -84.00 PHI 4 4 A 9 MET N A 9 MET CA A 9 MET C A 10 GLU N 1.0 100.0 162.48 PSI 5 5 A 9 MET C A 10 GLU N A 10 GLU CA A 10 GLU C 1.0 -160.0 -94.30 PHI 6 6 A 11 GLY C A 12 VAL N A 12 VAL CA A 12 VAL C 1.0 -150.0 -52.86 PHI 7 7 A 15 LYS C A 16 TRP N A 16 TRP CA A 16 TRP C 1.0 -140.0 -20.28 PHI 8 8 A 16 TRP N A 16 TRP CA A 16 TRP C A 17 THR N 1.0 100.0 164.60 PSI 9 9 A 24 GLN C A 25 PRO N A 25 PRO CA A 25 PRO C 1.0 -120.0 -24.88 PHI 10 10 A 38 TYR C A 39 ASP N A 39 ASP CA A 39 ASP C 1.0 -110.0 -56.24 PHI 11 11 A 41 GLN N A 41 GLN CA A 41 GLN C A 42 ASP N 1.0 -70.0 4.00 PSI 12 12 A 41 GLN C A 42 ASP N A 42 ASP CA A 42 ASP C 1.0 -90.0 -23.22 PHI 13 13 A 42 ASP N A 42 ASP CA A 42 ASP C A 43 ASP N 1.0 -70.0 -17.92 PSI 14 14 A 42 ASP C A 43 ASP N A 43 ASP CA A 43 ASP C 1.0 -90.0 -39.94 PHI 15 15 A 43 ASP N A 43 ASP CA A 43 ASP C A 44 VAL N 1.0 -70.0 -18.74 PSI 16 16 A 43 ASP C A 44 VAL N A 44 VAL CA A 44 VAL C 1.0 -90.0 -39.70 PHI 17 17 A 44 VAL N A 44 VAL CA A 44 VAL C A 45 CYS N 1.0 -70.0 -14.58 PSI 18 18 A 44 VAL C A 45 CYS N A 45 CYS CA A 45 CYS C 1.0 -110.0 -27.18 PHI 19 19 A 50 GLY C A 51 SER N A 51 SER CA A 51 SER C 1.0 -180.0 -100.16 PHI 20 20 A 51 SER N A 51 SER CA A 51 SER C A 52 ILE N 1.0 110.0 186.12 PSI 21 21 A 51 SER C A 52 ILE N A 52 ILE CA A 52 ILE C 1.0 -160.0 -90.58 PHI 22 22 A 52 ILE N A 52 ILE CA A 52 ILE C A 53 LYS N 1.0 110.0 170.84 PSI 23 23 A 52 ILE C A 53 LYS N A 53 LYS CA A 53 LYS C 1.0 -130.0 -58.24 PHI 24 24 A 53 LYS N A 53 LYS CA A 53 LYS C A 54 MET N 1.0 90.0 159.16 PSI 25 25 A 57 CYS C A 58 GLU N A 58 GLU CA A 58 GLU C 1.0 -180.0 -29.04 PHI 26 26 A 58 GLU N A 58 GLU CA A 58 GLU C A 59 ILE N 1.0 80.0 184.10 PSI 27 27 A 58 GLU C A 59 ILE N A 59 ILE CA A 59 ILE C 1.0 -150.0 -81.56 PHI 28 28 A 60 LYS C A 61 VAL N A 61 VAL CA A 61 VAL C 1.0 -140.0 -52.24 PHI 29 29 A 61 VAL N A 61 VAL CA A 61 VAL C A 62 HIS N 1.0 90.0 157.02 PSI 30 30 A 67 THR C A 68 ARG N A 68 ARG CA A 68 ARG C 1.0 -180.0 -123.90 PHI 31 31 A 68 ARG N A 68 ARG CA A 68 ARG C A 69 MET N 1.0 110.0 204.96 PSI 32 32 A 68 ARG C A 69 MET N A 69 MET CA A 69 MET C 1.0 -170.0 -112.64 PHI 33 33 A 72 ILE C A 73 ILE N A 73 ILE CA A 73 ILE C 1.0 -150.0 -98.16 PHI 34 34 A 73 ILE N A 73 ILE CA A 73 ILE C A 74 PRO N 1.0 90.0 177.50 PSI 35 35 A 76 GLU C A 77 GLN N A 77 GLN CA A 77 GLN C 1.0 -170.0 -64.62 PHI 36 36 A 77 GLN N A 77 GLN CA A 77 GLN C A 78 HIS N 1.0 100.0 185.64 PSI 37 37 A 77 GLN C A 78 HIS N A 78 HIS CA A 78 HIS C 1.0 -180.0 -56.74 PHI 38 38 A 78 HIS N A 78 HIS CA A 78 HIS C A 79 PHE N 1.0 90.0 170.14 PSI 39 39 A 78 HIS C A 79 PHE N A 79 PHE CA A 79 PHE C 1.0 -150.0 -72.62 PHI 40 40 A 79 PHE N A 79 PHE CA A 79 PHE C A 80 TYR N 1.0 100.0 161.16 PSI 41 41 A 79 PHE C A 80 TYR N A 80 TYR CA A 80 TYR C 1.0 -170.0 -72.88 PHI 42 42 A 82 LYS C A 83 ALA N A 83 ALA CA A 83 ALA C 1.0 -170.0 -83.82 PHI 43 43 A 83 ALA N A 83 ALA CA A 83 ALA C A 84 VAL N 1.0 100.0 198.46 PSI 44 44 A 85 ASN C A 86 ALA N A 86 ALA CA A 86 ALA C 1.0 -90.0 -39.26 PHI 45 45 A 86 ALA N A 86 ALA CA A 86 ALA C A 87 ALA N 1.0 -70.0 -3.46 PSI 46 46 A 86 ALA C A 87 ALA N A 87 ALA CA A 87 ALA C 1.0 -90.0 -39.78 PHI 47 47 A 87 ALA N A 87 ALA CA A 87 ALA C A 88 GLU N 1.0 -70.0 -15.14 PSI 48 48 A 87 ALA C A 88 GLU N A 88 GLU CA A 88 GLU C 1.0 -90.0 -39.88 PHI 49 49 A 89 ARG C A 90 GLN N A 90 GLN CA A 90 GLN C 1.0 -90.0 -39.04 PHI 50 50 A 90 GLN N A 90 GLN CA A 90 GLN C A 91 ARG N 1.0 -70.0 -15.38 PSI 51 51 A 90 GLN C A 91 ARG N A 91 ARG CA A 91 ARG C 1.0 -90.0 -33.54 PHI 52 52 A 96 LEU C A 97 GLY N A 97 GLY CA A 97 GLY C 1.0 -90.0 -37.46 PHI 53 53 A 97 GLY N A 97 GLY CA A 97 GLY C A 98 SER N 1.0 -70.0 -4.98 PSI 54 54 A 97 GLY C A 98 SER N A 98 SER CA A 98 SER C 1.0 -90.0 -39.92 PHI 55 55 A 100 LYS C A 101 ALA N A 101 ALA CA A 101 ALA C 1.0 -110.0 -40.72 PHI 56 56 A 101 ALA N A 101 ALA CA A 101 ALA C A 102 CYS N 1.0 -60.0 17.98 PSI 57 57 A 101 ALA C A 102 CYS N A 102 CYS CA A 102 CYS C 1.0 -110.0 -32.46 PHI 58 58 A 102 CYS N A 102 CYS CA A 102 CYS C A 103 LEU N 1.0 -60.0 16.12 PSI 59 59 A 10 GLU N A 10 GLU CA A 10 GLU C A 11 GLY N 1.0 110.0 190.22 PSI 60 60 A 10 GLU C A 11 GLY N A 11 GLY CA A 11 GLY C 1.0 170.0 -120.00 PHI 61 61 A 11 GLY N A 11 GLY CA A 11 GLY C A 12 VAL N 1.0 120.0 187.40 PSI 62 62 A 12 VAL N A 12 VAL CA A 12 VAL C A 13 LEU N 1.0 100.0 158.68 PSI 63 63 A 12 VAL C A 13 LEU N A 13 LEU CA A 13 LEU C 1.0 -160.0 -109.14 PHI 64 64 A 13 LEU C A 14 TYR N A 14 TYR CA A 14 TYR C 1.0 -170.0 -52.06 PHI 65 65 A 13 LEU N A 13 LEU CA A 13 LEU C A 14 TYR N 1.0 120.0 176.34 PSI 66 66 A 14 TYR C A 15 LYS N A 15 LYS CA A 15 LYS C 1.0 -150.0 -97.28 PHI 67 67 A 15 LYS N A 15 LYS CA A 15 LYS C A 16 TRP N 1.0 100.0 165.88 PSI 68 68 A 14 TYR N A 14 TYR CA A 14 TYR C A 15 LYS N 1.0 90.0 164.62 PSI 69 69 A 23 TRP C A 24 GLN N A 24 GLN CA A 24 GLN C 1.0 -170.0 8.84 PHI 70 70 A 24 GLN N A 24 GLN CA A 24 GLN C A 25 PRO N 1.0 100.0 205.38 PSI 71 71 A 25 PRO N A 25 PRO CA A 25 PRO C A 26 ARG N 1.0 110.0 176.56 PSI 72 72 A 25 PRO C A 26 ARG N A 26 ARG CA A 26 ARG C 1.0 -170.0 -103.36 PHI 73 73 A 26 ARG C A 27 TRP N A 27 TRP CA A 27 TRP C 1.0 -150.0 -67.30 PHI 74 74 A 26 ARG N A 26 ARG CA A 26 ARG C A 27 TRP N 1.0 130.0 186.12 PSI 75 75 A 27 TRP C A 28 PHE N A 28 PHE CA A 28 PHE C 1.0 -150.0 -97.28 PHI 76 76 A 27 TRP N A 27 TRP CA A 27 TRP C A 28 PHE N 1.0 100.0 153.42 PSI 77 77 A 28 PHE C A 29 VAL N A 29 VAL CA A 29 VAL C 1.0 -160.0 -87.34 PHI 78 78 A 28 PHE N A 28 PHE CA A 28 PHE C A 29 VAL N 1.0 110.0 159.48 PSI 79 79 A 29 VAL C A 30 LEU N A 30 LEU CA A 30 LEU C 1.0 -160.0 -96.38 PHI 80 80 A 29 VAL N A 29 VAL CA A 29 VAL C A 30 LEU N 1.0 100.0 175.90 PSI 81 81 A 30 LEU C A 31 ASP N A 31 ASP CA A 31 ASP C 1.0 -160.0 -17.06 PHI 82 82 A 30 LEU N A 30 LEU CA A 30 LEU C A 31 ASP N 1.0 100.0 157.32 PSI 83 83 A 31 ASP N A 31 ASP CA A 31 ASP C A 32 ASN N 1.0 90.0 158.68 PSI 84 84 A 33 GLY C A 34 ILE N A 34 ILE CA A 34 ILE C 1.0 -150.0 -75.98 PHI 85 85 A 34 ILE C A 35 LEU N A 35 LEU CA A 35 LEU C 1.0 -150.0 -95.52 PHI 86 86 A 34 ILE N A 34 ILE CA A 34 ILE C A 35 LEU N 1.0 100.0 150.62 PSI 87 87 A 35 LEU C A 36 SER N A 36 SER CA A 36 SER C 1.0 -160.0 -107.38 PHI 88 88 A 35 LEU N A 35 LEU CA A 35 LEU C A 36 SER N 1.0 100.0 151.16 PSI 89 89 A 36 SER C A 37 TYR N A 37 TYR CA A 37 TYR C 1.0 -180.0 -111.00 PHI 90 90 A 36 SER N A 36 SER CA A 36 SER C A 37 TYR N 1.0 110.0 159.88 PSI 91 91 A 37 TYR C A 38 TYR N A 38 TYR CA A 38 TYR C 1.0 -170.0 -84.68 PHI 92 92 A 37 TYR N A 37 TYR CA A 37 TYR C A 38 TYR N 1.0 120.0 190.20 PSI 93 93 A 38 TYR N A 38 TYR CA A 38 TYR C A 39 ASP N 1.0 110.0 185.32 PSI 94 94 A 45 CYS N A 45 CYS CA A 45 CYS C A 46 LYS N 1.0 -60.0 7.52 PSI 95 95 A 59 ILE N A 59 ILE CA A 59 ILE C A 60 LYS N 1.0 100.0 151.38 PSI 96 96 A 59 ILE C A 60 LYS N A 60 LYS CA A 60 LYS C 1.0 -150.0 -65.50 PHI 97 97 A 60 LYS N A 60 LYS CA A 60 LYS C A 61 VAL N 1.0 90.0 155.94 PSI 98 98 A 69 MET N A 69 MET CA A 69 MET C A 70 GLU N 1.0 110.0 175.12 PSI 99 99 A 69 MET C A 70 GLU N A 70 GLU CA A 70 GLU C 1.0 -160.0 -111.44 PHI 100 100 A 70 GLU C A 71 LEU N A 71 LEU CA A 71 LEU C 1.0 -150.0 -86.98 PHI 101 101 A 70 GLU N A 70 GLU CA A 70 GLU C A 71 LEU N 1.0 110.0 166.56 PSI 102 102 A 71 LEU C A 72 ILE N A 72 ILE CA A 72 ILE C 1.0 -140.0 -89.98 PHI 103 103 A 71 LEU N A 71 LEU CA A 71 LEU C A 72 ILE N 1.0 100.0 149.02 PSI 104 104 A 72 ILE N A 72 ILE CA A 72 ILE C A 73 ILE N 1.0 100.0 150.00 PSI 105 105 A 80 TYR N A 80 TYR CA A 80 TYR C A 81 MET N 1.0 100.0 171.92 PSI 106 106 A 80 TYR C A 81 MET N A 81 MET CA A 81 MET C 1.0 -170.0 -120.50 PHI 107 107 A 81 MET C A 82 LYS N A 82 LYS CA A 82 LYS C 1.0 -170.0 -105.96 PHI 108 108 A 81 MET N A 81 MET CA A 81 MET C A 82 LYS N 1.0 120.0 183.18 PSI 109 109 A 82 LYS N A 82 LYS CA A 82 LYS C A 83 ALA N 1.0 100.0 190.74 PSI 110 110 A 88 GLU N A 88 GLU CA A 88 GLU C A 89 ARG N 1.0 -70.0 -12.46 PSI 111 111 A 88 GLU C A 89 ARG N A 89 ARG CA A 89 ARG C 1.0 -90.0 -37.82 PHI 112 112 A 89 ARG N A 89 ARG CA A 89 ARG C A 90 GLN N 1.0 -70.0 -19.50 PSI 113 113 A 91 ARG N A 91 ARG CA A 91 ARG C A 92 TRP N 1.0 -70.0 -17.18 PSI 114 114 A 91 ARG C A 92 TRP N A 92 TRP CA A 92 TRP C 1.0 -90.0 -39.30 PHI 115 115 A 92 TRP C A 93 LEU N A 93 LEU CA A 93 LEU C 1.0 -90.0 -34.80 PHI 116 116 A 92 TRP N A 92 TRP CA A 92 TRP C A 93 LEU N 1.0 -70.0 -12.98 PSI 117 117 A 93 LEU C A 94 VAL N A 94 VAL CA A 94 VAL C 1.0 -80.0 -49.94 PHI 118 118 A 93 LEU N A 93 LEU CA A 93 LEU C A 94 VAL N 1.0 -70.0 -14.26 PSI 119 119 A 94 VAL C A 95 ALA N A 95 ALA CA A 95 ALA C 1.0 -90.0 -39.02 PHI 120 120 A 94 VAL N A 94 VAL CA A 94 VAL C A 95 ALA N 1.0 -70.0 -19.96 PSI 121 121 A 95 ALA C A 96 LEU N A 96 LEU CA A 96 LEU C 1.0 -90.0 -39.86 PHI 122 122 A 96 LEU N A 96 LEU CA A 96 LEU C A 97 GLY N 1.0 -70.0 -8.84 PSI 123 123 A 95 ALA N A 95 ALA CA A 95 ALA C A 96 LEU N 1.0 -70.0 -10.66 PSI 124 124 A 98 SER N A 98 SER CA A 98 SER C A 99 SER N 1.0 -70.0 -1.72 PSI 125 125 A 98 SER C A 99 SER N A 99 SER CA A 99 SER C 1.0 -90.0 -40.14 PHI 126 126 A 99 SER C A 100 LYS N A 100 LYS CA A 100 LYS C 1.0 -100.0 -29.40 PHI 127 127 A 99 SER N A 99 SER CA A 99 SER C A 100 LYS N 1.0 -60.0 9.98 PSI 128 128 A 100 LYS N A 100 LYS CA A 100 LYS C A 101 ALA N 1.0 -70.0 0.54 PSI stop_ save_