data_nef_c16082_2kcj save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A -7 GLY start . false 2 A -6 PRO middle . false 3 A -5 LEU middle . . 4 A -4 GLY middle . false 5 A -3 SER middle . . 6 A -2 PRO middle . false 7 A -1 GLU middle . . 8 A 0 PHE middle . . 9 A 1 MET middle . . 10 A 2 GLU middle . . 11 A 3 GLY middle . false 12 A 4 VAL middle . . 13 A 5 LEU middle . . 14 A 6 TYR middle . . 15 A 7 LYS middle . . 16 A 8 TRP middle . . 17 A 9 THR middle . . 18 A 10 ASN middle . . 19 A 11 TYR middle . . 20 A 12 LEU middle . . 21 A 13 THR middle . . 22 A 14 GLY middle . false 23 A 15 TRP middle . . 24 A 16 GLN middle . . 25 A 17 PRO middle . false 26 A 18 ARG middle . . 27 A 19 TRP middle . . 28 A 20 PHE middle . . 29 A 21 VAL middle . . 30 A 22 LEU middle . . 31 A 23 ASP middle . . 32 A 24 ASN middle . . 33 A 25 GLY middle . false 34 A 26 ILE middle . . 35 A 27 LEU middle . . 36 A 28 SER middle . . 37 A 29 TYR middle . . 38 A 30 TYR middle . . 39 A 31 ASP middle . . 40 A 32 SER middle . . 41 A 33 GLN middle . . 42 A 34 ASP middle . . 43 A 35 ASP middle . . 44 A 36 VAL middle . . 45 A 37 CYS middle . . 46 A 38 LYS middle . . 47 A 39 GLY middle . false 48 A 40 SER middle . . 49 A 41 LYS middle . . 50 A 42 GLY middle . false 51 A 43 SER middle . . 52 A 44 ILE middle . . 53 A 45 LYS middle . . 54 A 46 MET middle . . 55 A 47 ALA middle . . 56 A 48 VAL middle . . 57 A 49 CYS middle . . 58 A 50 GLU middle . . 59 A 51 ILE middle . . 60 A 52 LYS middle . . 61 A 53 VAL middle . . 62 A 54 HIS middle . . 63 A 55 SER middle . . 64 A 56 ALA middle . . 65 A 57 ASP middle . . 66 A 58 ASN middle . . 67 A 59 THR middle . . 68 A 60 ARG middle . . 69 A 61 MET middle . . 70 A 62 GLU middle . . 71 A 63 LEU middle . . 72 A 64 ILE middle . . 73 A 65 ILE middle . . 74 A 66 PRO middle . false 75 A 67 GLY middle . false 76 A 68 GLU middle . . 77 A 69 GLN middle . . 78 A 70 HIS middle . . 79 A 71 PHE middle . . 80 A 72 TYR middle . . 81 A 73 MET middle . . 82 A 74 LYS middle . . 83 A 75 ALA middle . . 84 A 76 VAL middle . . 85 A 77 ASN middle . . 86 A 78 ALA middle . . 87 A 79 ALA middle . . 88 A 80 GLU middle . . 89 A 81 ARG middle . . 90 A 82 GLN middle . . 91 A 83 ARG middle . . 92 A 84 TRP middle . . 93 A 85 LEU middle . . 94 A 86 VAL middle . . 95 A 87 ALA middle . . 96 A 88 LEU middle . . 97 A 89 GLY middle . false 98 A 90 SER middle . . 99 A 91 SER middle . . 100 A 92 LYS middle . . 101 A 93 ALA middle . . 102 A 94 SER middle . . 103 A 95 LEU middle . . 104 A 96 THR middle . . 105 A 97 ASP middle . . 106 A 98 THR middle . . 107 A 99 ARG middle . . 108 A 100 THR end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A -6 PRO HA H 1 4.460 0.003 A -6 PRO HBx H 1 1.939 0.002 A -6 PRO HBy H 1 2.293 0.005 A -6 PRO HD2 H 1 3.546 0.004 A -6 PRO HD3 H 1 3.546 0.004 A -6 PRO HG2 H 1 1.999 0.002 A -6 PRO HG3 H 1 1.999 0.002 A -6 PRO C C 13 176.875 0.000 A -6 PRO CA C 13 63.159 0.088 A -6 PRO CB C 13 32.292 0.048 A -6 PRO CD C 13 49.650 0.058 A -6 PRO CG C 13 27.078 0.098 A -5 LEU H H 1 8.483 0.005 A -5 LEU HA H 1 4.334 0.004 A -5 LEU HBx H 1 1.608 0.004 A -5 LEU HBy H 1 1.668 0.006 A -5 LEU HDx% H 1 0.938 0.003 A -5 LEU HDy% H 1 0.892 0.002 A -5 LEU HG H 1 1.654 0.002 A -5 LEU C C 13 177.797 0.000 A -5 LEU CA C 13 55.474 0.053 A -5 LEU CB C 13 42.239 0.063 A -5 LEU CDx C 13 23.573 0.114 A -5 LEU CDy C 13 24.910 0.040 A -5 LEU CG C 13 27.091 0.026 A -5 LEU N N 15 122.315 0.030 A -4 GLY H H 1 8.393 0.004 A -4 GLY HA2 H 1 3.978 0.003 A -4 GLY HA3 H 1 3.978 0.003 A -4 GLY C C 13 173.730 0.000 A -4 GLY CA C 13 45.158 0.058 A -4 GLY N N 15 109.911 0.043 A -3 SER H H 1 8.162 0.006 A -3 SER HA H 1 4.764 0.005 A -3 SER HB2 H 1 3.879 0.004 A -3 SER HB3 H 1 3.879 0.004 A -3 SER CA C 13 56.323 0.016 A -3 SER CB C 13 63.515 0.060 A -3 SER N N 15 116.873 0.013 A -2 PRO HA H 1 4.399 0.005 A -2 PRO HBx H 1 1.941 0.000 A -2 PRO HBy H 1 2.216 0.000 A -2 PRO C C 13 176.587 0.000 A -2 PRO CA C 13 63.552 0.060 A -2 PRO CB C 13 31.997 0.048 A -1 GLU H H 1 8.364 0.019 A -1 GLU HA H 1 4.285 0.002 A -1 GLU HB2 H 1 1.964 0.003 A -1 GLU HB3 H 1 1.964 0.003 A -1 GLU HGx H 1 2.255 0.002 A -1 GLU HGy H 1 2.332 0.003 A -1 GLU C C 13 174.954 0.000 A -1 GLU CA C 13 56.486 0.047 A -1 GLU CB C 13 29.924 0.076 A -1 GLU CG C 13 35.519 0.035 A -1 GLU N N 15 119.665 0.060 A 0 PHE H H 1 7.872 0.009 A 0 PHE HA H 1 5.204 0.004 A 0 PHE HBx H 1 2.861 0.005 A 0 PHE HBy H 1 3.138 0.005 A 0 PHE HDx H 1 7.225 0.003 A 0 PHE HDy H 1 7.225 0.003 A 0 PHE C C 13 174.670 0.000 A 0 PHE CA C 13 56.861 0.114 A 0 PHE CB C 13 41.874 0.086 A 0 PHE CDx C 13 130.414 0.043 A 0 PHE CDy C 13 130.414 0.043 A 0 PHE N N 15 122.497 0.055 A 1 MET H H 1 7.833 0.007 A 1 MET HA H 1 4.095 0.003 A 1 MET HBx H 1 1.043 0.008 A 1 MET HBy H 1 1.384 0.005 A 1 MET HE% H 1 0.978 0.001 A 1 MET HG2 H 1 0.997 0.006 A 1 MET HG3 H 1 0.997 0.006 A 1 MET C C 13 171.191 0.000 A 1 MET CA C 13 54.613 0.068 A 1 MET CB C 13 34.867 0.083 A 1 MET CE C 13 16.369 0.017 A 1 MET CG C 13 31.648 0.048 A 1 MET N N 15 127.163 0.034 A 2 GLU H H 1 7.698 0.011 A 2 GLU HA H 1 5.603 0.003 A 2 GLU HBx H 1 1.901 0.005 A 2 GLU HBy H 1 2.045 0.005 A 2 GLU HGx H 1 2.249 0.003 A 2 GLU HGy H 1 2.440 0.006 A 2 GLU C C 13 174.743 0.000 A 2 GLU CA C 13 53.345 0.065 A 2 GLU CB C 13 32.408 0.015 A 2 GLU CG C 13 34.026 0.015 A 2 GLU N N 15 118.654 0.077 A 3 GLY H H 1 7.994 0.006 A 3 GLY HAx H 1 3.115 0.005 A 3 GLY HAy H 1 4.377 0.005 A 3 GLY C C 13 170.878 0.000 A 3 GLY CA C 13 45.086 0.064 A 3 GLY N N 15 108.296 0.043 A 4 VAL H H 1 8.463 0.006 A 4 VAL HA H 1 4.969 0.009 A 4 VAL HB H 1 2.068 0.003 A 4 VAL HGx% H 1 0.783 0.002 A 4 VAL HGy% H 1 1.375 0.003 A 4 VAL C C 13 177.805 0.000 A 4 VAL CA C 13 62.373 0.099 A 4 VAL CB C 13 33.152 0.073 A 4 VAL CGx C 13 20.775 0.053 A 4 VAL CGy C 13 22.649 0.061 A 4 VAL N N 15 119.624 0.036 A 5 LEU H H 1 8.647 0.006 A 5 LEU HA H 1 4.382 0.004 A 5 LEU HBx H 1 0.530 0.007 A 5 LEU HBy H 1 1.073 0.004 A 5 LEU HDx% H 1 -1.306 0.004 A 5 LEU HDy% H 1 0.220 0.003 A 5 LEU HG H 1 0.650 0.003 A 5 LEU C C 13 175.407 0.000 A 5 LEU CA C 13 54.139 0.083 A 5 LEU CB C 13 46.374 0.082 A 5 LEU CDx C 13 23.171 0.070 A 5 LEU CDy C 13 23.434 0.059 A 5 LEU CG C 13 26.295 0.068 A 5 LEU N N 15 125.806 0.040 A 6 TYR H H 1 9.007 0.006 A 6 TYR HA H 1 5.026 0.003 A 6 TYR HBx H 1 2.808 0.006 A 6 TYR HBy H 1 3.062 0.005 A 6 TYR HDx H 1 6.832 0.000 A 6 TYR HDy H 1 6.832 0.000 A 6 TYR C C 13 175.047 0.000 A 6 TYR CA C 13 57.484 0.065 A 6 TYR CB C 13 39.400 0.093 A 6 TYR N N 15 118.975 0.042 A 7 LYS H H 1 9.549 0.006 A 7 LYS HA H 1 5.467 0.005 A 7 LYS HBx H 1 1.522 0.007 A 7 LYS HBy H 1 1.729 0.002 A 7 LYS HDx H 1 0.985 0.004 A 7 LYS HDy H 1 1.174 0.005 A 7 LYS HEx H 1 2.277 0.005 A 7 LYS HEy H 1 2.365 0.005 A 7 LYS HG2 H 1 1.340 0.000 A 7 LYS HG3 H 1 1.340 0.000 A 7 LYS C C 13 175.772 0.000 A 7 LYS CA C 13 54.136 0.069 A 7 LYS CB C 13 37.043 0.061 A 7 LYS CD C 13 29.340 0.053 A 7 LYS CE C 13 41.902 0.061 A 7 LYS CG C 13 24.804 0.030 A 7 LYS N N 15 123.867 0.025 A 8 TRP H H 1 8.355 0.005 A 8 TRP HA H 1 3.893 0.007 A 8 TRP HBx H 1 1.490 0.007 A 8 TRP HBy H 1 2.731 0.003 A 8 TRP HD1 H 1 6.238 0.013 A 8 TRP HE1 H 1 9.825 0.006 A 8 TRP HE3 H 1 5.417 0.005 A 8 TRP HH2 H 1 6.865 0.003 A 8 TRP HZ2 H 1 6.644 0.004 A 8 TRP HZ3 H 1 6.511 0.005 A 8 TRP C C 13 176.038 0.000 A 8 TRP CA C 13 57.880 0.082 A 8 TRP CB C 13 29.347 0.063 A 8 TRP CD1 C 13 124.831 0.000 A 8 TRP CE3 C 13 117.483 0.000 A 8 TRP CH2 C 13 122.691 0.046 A 8 TRP CZ2 C 13 112.045 0.023 A 8 TRP CZ3 C 13 119.858 0.016 A 8 TRP N N 15 129.111 0.032 A 8 TRP NE1 N 15 129.185 0.059 A 9 THR H H 1 6.754 0.010 A 9 THR HA H 1 4.127 0.002 A 9 THR HB H 1 3.848 0.002 A 9 THR HG2% H 1 1.055 0.002 A 9 THR C C 13 172.153 0.000 A 9 THR CA C 13 61.413 0.076 A 9 THR CB C 13 69.317 0.093 A 9 THR CG2 C 13 21.446 0.076 A 9 THR N N 15 121.030 0.063 A 10 ASN H H 1 7.418 0.006 A 10 ASN HA H 1 4.051 0.005 A 10 ASN HBx H 1 2.927 0.017 A 10 ASN HBy H 1 2.948 0.014 A 10 ASN HD21 H 1 6.778 0.005 A 10 ASN HD22 H 1 7.525 0.005 A 10 ASN C C 13 174.308 0.000 A 10 ASN CA C 13 52.089 0.070 A 10 ASN CB C 13 39.339 0.069 A 10 ASN N N 15 115.655 0.044 A 10 ASN ND2 N 15 114.459 0.204 A 11 TYR H H 1 8.348 0.009 A 11 TYR HA H 1 4.284 0.004 A 11 TYR HB2 H 1 3.177 0.007 A 11 TYR HB3 H 1 3.177 0.007 A 11 TYR HDx H 1 7.279 0.003 A 11 TYR HDy H 1 7.279 0.003 A 11 TYR HEx H 1 6.898 0.001 A 11 TYR HEy H 1 6.898 0.001 A 11 TYR C C 13 175.974 0.000 A 11 TYR CA C 13 60.774 0.073 A 11 TYR CB C 13 37.815 0.112 A 11 TYR CDx C 13 131.604 0.007 A 11 TYR CDy C 13 131.604 0.007 A 11 TYR CEx C 13 116.841 0.000 A 11 TYR CEy C 13 116.841 0.000 A 11 TYR N N 15 115.508 0.046 A 12 LEU H H 1 7.827 0.006 A 12 LEU HA H 1 4.091 0.004 A 12 LEU HBx H 1 1.445 0.004 A 12 LEU HBy H 1 1.536 0.004 A 12 LEU HDx% H 1 0.776 0.002 A 12 LEU HDy% H 1 0.816 0.011 A 12 LEU HG H 1 1.168 0.003 A 12 LEU C C 13 178.711 0.000 A 12 LEU CA C 13 56.966 0.088 A 12 LEU CB C 13 41.922 0.060 A 12 LEU CDy C 13 24.519 0.048 A 12 LEU CDx C 13 23.779 0.092 A 12 LEU CG C 13 26.787 0.071 A 12 LEU N N 15 120.867 0.048 A 13 THR H H 1 7.651 0.008 A 13 THR HA H 1 4.162 0.000 A 13 THR HB H 1 4.102 0.005 A 13 THR HG2% H 1 1.060 0.002 A 13 THR C C 13 175.842 0.000 A 13 THR CA C 13 62.159 0.064 A 13 THR CB C 13 69.191 0.084 A 13 THR CG2 C 13 22.006 0.061 A 13 THR N N 15 108.304 0.059 A 14 GLY H H 1 7.679 0.007 A 14 GLY HAx H 1 2.802 0.004 A 14 GLY HAy H 1 3.715 0.003 A 14 GLY C C 13 175.108 0.000 A 14 GLY CA C 13 46.131 0.067 A 14 GLY N N 15 109.901 0.046 A 15 TRP H H 1 8.817 0.004 A 15 TRP HA H 1 4.724 0.003 A 15 TRP HBx H 1 3.038 0.007 A 15 TRP HBy H 1 3.254 0.005 A 15 TRP HD1 H 1 7.534 0.005 A 15 TRP HE1 H 1 10.300 0.006 A 15 TRP HE3 H 1 7.208 0.004 A 15 TRP HH2 H 1 6.802 0.006 A 15 TRP HZ2 H 1 6.977 0.007 A 15 TRP HZ3 H 1 6.891 0.007 A 15 TRP C C 13 176.569 0.000 A 15 TRP CA C 13 56.897 0.027 A 15 TRP CB C 13 29.825 0.060 A 15 TRP CD1 C 13 126.782 0.022 A 15 TRP CE3 C 13 118.319 0.008 A 15 TRP CH2 C 13 121.487 0.054 A 15 TRP CZ2 C 13 112.798 0.030 A 15 TRP N N 15 126.927 0.061 A 15 TRP NE1 N 15 130.657 0.071 A 16 GLN H H 1 8.931 0.005 A 16 GLN HA H 1 5.186 0.005 A 16 GLN HBx H 1 1.742 0.004 A 16 GLN HBy H 1 2.208 0.005 A 16 GLN HE21 H 1 6.991 0.006 A 16 GLN HE22 H 1 7.766 0.004 A 16 GLN HGx H 1 2.241 0.007 A 16 GLN HGy H 1 2.324 0.003 A 16 GLN CA C 13 52.369 0.074 A 16 GLN CB C 13 31.536 0.052 A 16 GLN CG C 13 33.359 0.069 A 16 GLN N N 15 122.710 0.043 A 16 GLN NE2 N 15 113.474 0.224 A 17 PRO HA H 1 4.206 0.005 A 17 PRO HBx H 1 1.573 0.006 A 17 PRO HBy H 1 1.886 0.004 A 17 PRO HDx H 1 3.909 0.004 A 17 PRO HDy H 1 4.007 0.004 A 17 PRO HGx H 1 2.164 0.003 A 17 PRO HGy H 1 2.363 0.002 A 17 PRO C C 13 176.918 0.000 A 17 PRO CA C 13 62.894 0.081 A 17 PRO CB C 13 31.444 0.050 A 17 PRO CD C 13 50.499 0.085 A 17 PRO CG C 13 26.996 0.071 A 18 ARG H H 1 9.041 0.003 A 18 ARG HA H 1 4.857 0.007 A 18 ARG HB2 H 1 1.853 0.008 A 18 ARG HB3 H 1 1.858 0.005 A 18 ARG HDx H 1 3.075 0.006 A 18 ARG HDy H 1 3.688 0.002 A 18 ARG HGx H 1 1.371 0.000 A 18 ARG HGy H 1 1.681 0.000 A 18 ARG C C 13 173.102 0.000 A 18 ARG CA C 13 53.273 0.046 A 18 ARG CB C 13 34.254 0.041 A 18 ARG CD C 13 43.637 0.073 A 18 ARG CG C 13 28.080 0.042 A 18 ARG N N 15 123.602 0.053 A 19 TRP H H 1 8.375 0.007 A 19 TRP HA H 1 5.077 0.004 A 19 TRP HB2 H 1 2.899 0.005 A 19 TRP HB3 H 1 2.899 0.005 A 19 TRP HD1 H 1 6.535 0.003 A 19 TRP HE1 H 1 10.284 0.004 A 19 TRP HE3 H 1 7.555 0.007 A 19 TRP HH2 H 1 7.196 0.012 A 19 TRP HZ2 H 1 7.304 0.005 A 19 TRP HZ3 H 1 7.192 0.002 A 19 TRP C C 13 174.728 0.000 A 19 TRP CA C 13 56.157 0.109 A 19 TRP CB C 13 31.116 0.079 A 19 TRP CD1 C 13 124.088 0.041 A 19 TRP CE3 C 13 118.786 0.033 A 19 TRP CH2 C 13 123.023 0.000 A 19 TRP CZ2 C 13 112.757 0.018 A 19 TRP CZ3 C 13 120.311 0.061 A 19 TRP N N 15 121.669 0.043 A 19 TRP NE1 N 15 129.025 0.064 A 20 PHE H H 1 9.016 0.004 A 20 PHE HA H 1 5.385 0.006 A 20 PHE HBx H 1 2.501 0.003 A 20 PHE HBy H 1 2.726 0.006 A 20 PHE HDx H 1 6.997 0.006 A 20 PHE HDy H 1 6.997 0.006 A 20 PHE HEx H 1 6.849 0.002 A 20 PHE HEy H 1 6.849 0.002 A 20 PHE HZ H 1 6.443 0.002 A 20 PHE C C 13 174.685 0.000 A 20 PHE CA C 13 56.699 0.086 A 20 PHE CB C 13 43.155 0.086 A 20 PHE CDx C 13 130.651 0.071 A 20 PHE CDy C 13 130.651 0.071 A 20 PHE CEx C 13 129.364 0.029 A 20 PHE CEy C 13 129.364 0.029 A 20 PHE CZ C 13 125.433 0.000 A 20 PHE N N 15 128.520 0.045 A 21 VAL H H 1 9.058 0.003 A 21 VAL HA H 1 4.681 0.004 A 21 VAL HB H 1 2.255 0.003 A 21 VAL HGx% H 1 1.056 0.004 A 21 VAL HGy% H 1 1.187 0.007 A 21 VAL C C 13 174.804 0.000 A 21 VAL CA C 13 61.719 0.048 A 21 VAL CB C 13 36.416 0.067 A 21 VAL CG1 C 13 22.083 0.103 A 21 VAL CG2 C 13 22.142 0.100 A 21 VAL N N 15 117.562 0.049 A 22 LEU H H 1 9.543 0.007 A 22 LEU HA H 1 5.311 0.007 A 22 LEU HBx H 1 1.363 0.006 A 22 LEU HBy H 1 1.919 0.004 A 22 LEU HD1% H 1 0.845 0.001 A 22 LEU HD2% H 1 0.845 0.001 A 22 LEU HG H 1 0.791 0.004 A 22 LEU C C 13 173.506 0.000 A 22 LEU CA C 13 53.213 0.077 A 22 LEU CB C 13 44.939 0.072 A 22 LEU CD1 C 13 22.041 0.065 A 22 LEU CD2 C 13 22.041 0.065 A 22 LEU CG C 13 27.013 0.055 A 22 LEU N N 15 131.939 0.046 A 23 ASP H H 1 8.513 0.006 A 23 ASP HA H 1 5.151 0.007 A 23 ASP HBx H 1 2.811 0.009 A 23 ASP HBy H 1 2.867 0.007 A 23 ASP C C 13 176.940 0.000 A 23 ASP CA C 13 53.671 0.050 A 23 ASP CB C 13 43.770 0.033 A 23 ASP N N 15 121.978 0.084 A 24 ASN H H 1 9.280 0.005 A 24 ASN HA H 1 4.421 0.002 A 24 ASN HBx H 1 2.658 0.002 A 24 ASN HBy H 1 3.155 0.004 A 24 ASN HD21 H 1 6.814 0.002 A 24 ASN HD22 H 1 7.672 0.002 A 24 ASN C C 13 175.044 0.000 A 24 ASN CA C 13 54.362 0.051 A 24 ASN CB C 13 37.804 0.050 A 24 ASN N N 15 125.653 0.051 A 24 ASN ND2 N 15 112.685 0.174 A 25 GLY H H 1 8.997 0.006 A 25 GLY HAx H 1 3.581 0.004 A 25 GLY HAy H 1 4.154 0.006 A 25 GLY C C 13 173.215 0.000 A 25 GLY CA C 13 45.930 0.069 A 25 GLY N N 15 102.623 0.033 A 26 ILE H H 1 7.955 0.005 A 26 ILE HA H 1 4.771 0.007 A 26 ILE HB H 1 2.124 0.003 A 26 ILE HD1% H 1 0.884 0.003 A 26 ILE HG1x H 1 1.253 0.003 A 26 ILE HG1y H 1 1.562 0.002 A 26 ILE HG2% H 1 0.824 0.002 A 26 ILE C C 13 174.753 0.000 A 26 ILE CA C 13 59.201 0.051 A 26 ILE CB C 13 39.393 0.064 A 26 ILE CD1 C 13 11.704 0.063 A 26 ILE CG1 C 13 27.019 0.070 A 26 ILE CG2 C 13 17.485 0.070 A 26 ILE N N 15 122.350 0.049 A 27 LEU H H 1 9.274 0.009 A 27 LEU HA H 1 5.441 0.006 A 27 LEU HBx H 1 1.296 0.007 A 27 LEU HBy H 1 2.110 0.003 A 27 LEU HDx% H 1 0.769 0.003 A 27 LEU HDy% H 1 1.140 0.007 A 27 LEU HG H 1 1.551 0.003 A 27 LEU C C 13 175.131 0.000 A 27 LEU CA C 13 53.160 0.079 A 27 LEU CB C 13 44.532 0.073 A 27 LEU CDy C 13 26.081 0.066 A 27 LEU CDx C 13 24.917 0.064 A 27 LEU CG C 13 27.632 0.034 A 27 LEU N N 15 132.013 0.049 A 28 SER H H 1 9.668 0.004 A 28 SER HA H 1 5.379 0.004 A 28 SER HBx H 1 3.606 0.005 A 28 SER HBy H 1 3.831 0.004 A 28 SER C C 13 171.968 0.000 A 28 SER CA C 13 57.345 0.067 A 28 SER CB C 13 66.044 0.076 A 28 SER N N 15 123.682 0.042 A 29 TYR H H 1 7.452 0.007 A 29 TYR HA H 1 5.658 0.006 A 29 TYR HBx H 1 1.465 0.005 A 29 TYR HBy H 1 1.722 0.007 A 29 TYR HDx H 1 6.397 0.006 A 29 TYR HDy H 1 6.397 0.006 A 29 TYR HEx H 1 6.571 0.009 A 29 TYR HEy H 1 6.571 0.009 A 29 TYR C C 13 172.731 0.000 A 29 TYR CA C 13 54.632 0.077 A 29 TYR CB C 13 39.599 0.068 A 29 TYR CDx C 13 131.225 0.037 A 29 TYR CDy C 13 131.225 0.037 A 29 TYR CEx C 13 115.784 0.000 A 29 TYR CEy C 13 115.784 0.000 A 29 TYR N N 15 115.554 0.028 A 30 TYR H H 1 9.116 0.005 A 30 TYR HA H 1 4.626 0.006 A 30 TYR HBx H 1 2.825 0.002 A 30 TYR HBy H 1 3.252 0.010 A 30 TYR HDx H 1 7.230 0.001 A 30 TYR HDy H 1 7.230 0.001 A 30 TYR HEx H 1 6.723 0.006 A 30 TYR HEy H 1 6.723 0.006 A 30 TYR C C 13 175.771 0.000 A 30 TYR CA C 13 56.194 0.074 A 30 TYR CB C 13 43.253 0.086 A 30 TYR CDx C 13 132.761 0.052 A 30 TYR CDy C 13 132.761 0.052 A 30 TYR CEx C 13 116.704 0.030 A 30 TYR CEy C 13 116.704 0.030 A 30 TYR N N 15 117.937 0.038 A 31 ASP H H 1 9.474 0.010 A 31 ASP HA H 1 4.624 0.002 A 31 ASP HB2 H 1 2.751 0.002 A 31 ASP HB3 H 1 2.751 0.002 A 31 ASP C C 13 176.264 0.000 A 31 ASP CA C 13 58.144 0.081 A 31 ASP CB C 13 40.399 0.019 A 31 ASP N N 15 121.988 0.038 A 32 SER H H 1 7.511 0.008 A 32 SER HA H 1 4.567 0.006 A 32 SER HBx H 1 3.925 0.009 A 32 SER HBy H 1 3.998 0.003 A 32 SER C C 13 173.752 0.000 A 32 SER CA C 13 57.211 0.125 A 32 SER CB C 13 65.547 0.055 A 32 SER N N 15 107.441 0.034 A 33 GLN H H 1 8.828 0.003 A 33 GLN HA H 1 2.511 0.006 A 33 GLN HBx H 1 0.241 0.013 A 33 GLN HBy H 1 0.944 0.003 A 33 GLN HE21 H 1 6.533 0.002 A 33 GLN HE22 H 1 7.142 0.007 A 33 GLN HGx H 1 1.151 0.003 A 33 GLN HGy H 1 1.584 0.004 A 33 GLN C C 13 177.001 0.000 A 33 GLN CA C 13 58.261 0.060 A 33 GLN CB C 13 27.168 0.076 A 33 GLN CG C 13 32.636 0.080 A 33 GLN N N 15 123.170 0.029 A 33 GLN NE2 N 15 111.092 0.019 A 34 ASP H H 1 7.774 0.003 A 34 ASP HA H 1 4.289 0.006 A 34 ASP HBx H 1 2.350 0.003 A 34 ASP HBy H 1 2.603 0.004 A 34 ASP C C 13 176.567 0.000 A 34 ASP CA C 13 55.710 0.077 A 34 ASP CB C 13 40.459 0.053 A 34 ASP N N 15 116.558 0.041 A 35 ASP H H 1 7.388 0.003 A 35 ASP HA H 1 4.755 0.005 A 35 ASP HBx H 1 2.690 0.004 A 35 ASP HBy H 1 3.245 0.003 A 35 ASP C C 13 177.129 0.000 A 35 ASP CA C 13 54.563 0.027 A 35 ASP CB C 13 42.434 0.035 A 35 ASP N N 15 117.173 0.039 A 36 VAL H H 1 7.063 0.004 A 36 VAL HA H 1 3.372 0.004 A 36 VAL HB H 1 1.818 0.002 A 36 VAL HGx% H 1 0.493 0.002 A 36 VAL HGy% H 1 0.644 0.002 A 36 VAL C C 13 178.169 0.000 A 36 VAL CA C 13 65.325 0.074 A 36 VAL CB C 13 31.179 0.043 A 36 VAL CGy C 13 21.899 0.042 A 36 VAL CGx C 13 20.639 0.058 A 36 VAL N N 15 121.695 0.032 A 37 CYS H H 1 8.133 0.006 A 37 CYS HA H 1 4.425 0.006 A 37 CYS HB2 H 1 3.013 0.006 A 37 CYS HB3 H 1 3.013 0.006 A 37 CYS C C 13 175.083 0.000 A 37 CYS CA C 13 59.202 0.061 A 37 CYS CB C 13 27.101 0.073 A 37 CYS N N 15 115.191 0.034 A 38 LYS H H 1 7.844 0.004 A 38 LYS HA H 1 4.428 0.003 A 38 LYS HB2 H 1 2.078 0.006 A 38 LYS HB3 H 1 2.078 0.006 A 38 LYS HDx H 1 1.683 0.003 A 38 LYS HDy H 1 1.748 0.003 A 38 LYS HE2 H 1 3.001 0.003 A 38 LYS HE3 H 1 3.001 0.003 A 38 LYS HGx H 1 1.452 0.003 A 38 LYS HGy H 1 1.570 0.002 A 38 LYS C C 13 177.049 0.000 A 38 LYS CA C 13 56.787 0.066 A 38 LYS CB C 13 33.119 0.046 A 38 LYS CD C 13 29.245 0.026 A 38 LYS CE C 13 42.339 0.078 A 38 LYS CG C 13 25.653 0.078 A 38 LYS N N 15 121.496 0.071 A 39 GLY H H 1 7.759 0.004 A 39 GLY HAx H 1 4.022 0.003 A 39 GLY HAy H 1 4.542 0.003 A 39 GLY C C 13 173.037 0.000 A 39 GLY CA C 13 44.261 0.059 A 39 GLY N N 15 107.270 0.043 A 40 SER H H 1 8.478 0.004 A 40 SER HA H 1 3.783 0.007 A 40 SER HBx H 1 3.434 0.002 A 40 SER HBy H 1 3.621 0.004 A 40 SER C C 13 175.221 0.000 A 40 SER CA C 13 57.947 0.059 A 40 SER CB C 13 63.811 0.068 A 40 SER N N 15 116.121 0.042 A 41 LYS H H 1 8.394 0.004 A 41 LYS HA H 1 4.188 0.006 A 41 LYS HBx H 1 1.170 0.005 A 41 LYS HBy H 1 1.637 0.003 A 41 LYS HDx H 1 1.381 0.003 A 41 LYS HDy H 1 1.503 0.004 A 41 LYS HE2 H 1 3.045 0.001 A 41 LYS HE3 H 1 3.044 0.002 A 41 LYS HG2 H 1 1.636 0.004 A 41 LYS HG3 H 1 1.636 0.004 A 41 LYS C C 13 176.470 0.000 A 41 LYS CA C 13 55.331 0.057 A 41 LYS CB C 13 32.293 0.072 A 41 LYS CD C 13 28.160 0.040 A 41 LYS CE C 13 41.923 0.040 A 41 LYS CG C 13 24.301 0.068 A 41 LYS N N 15 120.990 0.061 A 42 GLY H H 1 6.747 0.008 A 42 GLY HAx H 1 3.531 0.012 A 42 GLY HAy H 1 3.884 0.004 A 42 GLY C C 13 170.967 0.000 A 42 GLY CA C 13 45.060 0.060 A 42 GLY N N 15 106.048 0.078 A 43 SER H H 1 8.158 0.010 A 43 SER HA H 1 5.343 0.003 A 43 SER HBx H 1 3.515 0.003 A 43 SER HBy H 1 3.716 0.004 A 43 SER C C 13 172.787 0.000 A 43 SER CA C 13 57.639 0.058 A 43 SER CB C 13 65.897 0.083 A 43 SER N N 15 113.080 0.023 A 44 ILE H H 1 9.306 0.004 A 44 ILE HA H 1 4.203 0.003 A 44 ILE HB H 1 1.653 0.003 A 44 ILE HD1% H 1 0.253 0.003 A 44 ILE HG1x H 1 0.776 0.004 A 44 ILE HG1y H 1 1.250 0.003 A 44 ILE HG2% H 1 0.705 0.001 A 44 ILE C C 13 174.340 0.000 A 44 ILE CA C 13 60.326 0.073 A 44 ILE CB C 13 42.302 0.085 A 44 ILE CD1 C 13 13.668 0.045 A 44 ILE CG1 C 13 27.781 0.073 A 44 ILE CG2 C 13 18.605 0.067 A 44 ILE N N 15 123.385 0.041 A 45 LYS H H 1 8.495 0.009 A 45 LYS HA H 1 4.444 0.004 A 45 LYS HBx H 1 1.800 0.008 A 45 LYS HBy H 1 1.973 0.005 A 45 LYS HD2 H 1 1.734 0.004 A 45 LYS HD3 H 1 1.733 0.004 A 45 LYS HE2 H 1 2.992 0.003 A 45 LYS HE3 H 1 2.992 0.003 A 45 LYS HGx H 1 1.376 0.003 A 45 LYS HGy H 1 1.573 0.005 A 45 LYS C C 13 176.283 0.000 A 45 LYS CA C 13 56.255 0.085 A 45 LYS CB C 13 32.258 0.059 A 45 LYS CD C 13 29.588 0.062 A 45 LYS CE C 13 42.175 0.050 A 45 LYS CG C 13 25.523 0.080 A 45 LYS N N 15 127.498 0.066 A 46 MET H H 1 8.190 0.005 A 46 MET HA H 1 4.585 0.005 A 46 MET HBx H 1 1.867 0.000 A 46 MET HBy H 1 2.014 0.005 A 46 MET HE% H 1 1.878 0.005 A 46 MET HGx H 1 2.126 0.004 A 46 MET HGy H 1 2.741 0.004 A 46 MET C C 13 178.779 0.000 A 46 MET CA C 13 55.549 0.090 A 46 MET CB C 13 29.465 0.052 A 46 MET CE C 13 16.132 0.030 A 46 MET CG C 13 31.076 0.085 A 46 MET N N 15 123.817 0.044 A 47 ALA H H 1 8.860 0.005 A 47 ALA HA H 1 4.142 0.002 A 47 ALA HB% H 1 1.487 0.003 A 47 ALA C C 13 178.752 0.000 A 47 ALA CA C 13 55.004 0.070 A 47 ALA CB C 13 19.312 0.074 A 47 ALA N N 15 119.194 0.047 A 48 VAL H H 1 7.127 0.004 A 48 VAL HA H 1 4.592 0.003 A 48 VAL HB H 1 2.540 0.002 A 48 VAL HGx% H 1 0.938 0.001 A 48 VAL HGy% H 1 1.003 0.003 A 48 VAL C C 13 174.965 0.000 A 48 VAL CA C 13 60.038 0.049 A 48 VAL CB C 13 31.878 0.048 A 48 VAL CGx C 13 18.992 0.076 A 48 VAL CGy C 13 21.522 0.081 A 48 VAL N N 15 105.989 0.039 A 49 CYS H H 1 7.414 0.007 A 49 CYS HA H 1 4.897 0.005 A 49 CYS HB2 H 1 2.741 0.003 A 49 CYS HB3 H 1 2.741 0.003 A 49 CYS C C 13 173.836 0.000 A 49 CYS CA C 13 58.123 0.055 A 49 CYS CB C 13 30.078 0.051 A 49 CYS N N 15 119.973 0.029 A 50 GLU H H 1 8.852 0.015 A 50 GLU HA H 1 4.674 0.007 A 50 GLU HBx H 1 1.896 0.003 A 50 GLU HBy H 1 1.977 0.004 A 50 GLU HGx H 1 2.101 0.005 A 50 GLU HGy H 1 2.294 0.007 A 50 GLU C C 13 175.085 0.000 A 50 GLU CA C 13 54.809 0.025 A 50 GLU CB C 13 31.856 0.040 A 50 GLU CG C 13 35.648 0.074 A 50 GLU N N 15 124.719 0.053 A 51 ILE H H 1 8.731 0.004 A 51 ILE HA H 1 4.625 0.004 A 51 ILE HB H 1 1.665 0.005 A 51 ILE HD1% H 1 0.698 0.002 A 51 ILE HG1x H 1 0.749 0.001 A 51 ILE HG1y H 1 1.494 0.004 A 51 ILE HG2% H 1 0.747 0.004 A 51 ILE C C 13 175.513 0.000 A 51 ILE CA C 13 60.675 0.043 A 51 ILE CB C 13 39.717 0.078 A 51 ILE CD1 C 13 17.541 0.076 A 51 ILE CG1 C 13 27.756 0.048 A 51 ILE CG2 C 13 14.718 0.073 A 51 ILE N N 15 124.286 0.036 A 52 LYS H H 1 9.212 0.004 A 52 LYS HA H 1 4.829 0.006 A 52 LYS HBx H 1 1.642 0.005 A 52 LYS HBy H 1 1.757 0.005 A 52 LYS HD2 H 1 1.610 0.004 A 52 LYS HD3 H 1 1.611 0.007 A 52 LYS HEx H 1 2.878 0.014 A 52 LYS HEy H 1 2.887 0.011 A 52 LYS HGx H 1 1.233 0.021 A 52 LYS HGy H 1 1.308 0.022 A 52 LYS C C 13 175.594 0.000 A 52 LYS CA C 13 54.490 0.027 A 52 LYS CB C 13 34.908 0.084 A 52 LYS CD C 13 28.990 0.050 A 52 LYS CE C 13 42.073 0.061 A 52 LYS CG C 13 24.731 0.061 A 52 LYS N N 15 128.004 0.054 A 53 VAL H H 1 8.776 0.009 A 53 VAL HA H 1 4.087 0.011 A 53 VAL HB H 1 2.107 0.004 A 53 VAL HGx% H 1 0.930 0.002 A 53 VAL HGy% H 1 0.910 0.007 A 53 VAL C C 13 175.262 0.000 A 53 VAL CA C 13 62.067 0.049 A 53 VAL CB C 13 33.296 0.079 A 53 VAL CGx C 13 21.035 0.020 A 53 VAL CGy C 13 22.092 0.073 A 53 VAL N N 15 124.000 0.111 A 54 HIS H H 1 7.677 0.015 A 54 HIS HA H 1 4.456 0.014 A 54 HIS HBx H 1 2.883 0.009 A 54 HIS HBy H 1 3.517 0.006 A 54 HIS C C 13 176.465 0.000 A 54 HIS CA C 13 57.986 0.101 A 54 HIS CB C 13 32.369 0.117 A 54 HIS N N 15 127.177 0.083 A 55 SER H H 1 8.552 0.015 A 55 SER HA H 1 4.251 0.003 A 55 SER HBx H 1 3.848 0.002 A 55 SER HBy H 1 3.910 0.001 A 55 SER C C 13 174.509 0.000 A 55 SER CA C 13 60.312 0.063 A 55 SER CB C 13 63.609 0.055 A 55 SER N N 15 120.508 0.042 A 56 ALA H H 1 8.807 0.005 A 56 ALA HA H 1 4.553 0.011 A 56 ALA HB% H 1 1.470 0.003 A 56 ALA C C 13 176.763 0.000 A 56 ALA CA C 13 53.183 0.069 A 56 ALA CB C 13 20.619 0.048 A 56 ALA N N 15 124.728 0.044 A 57 ASP H H 1 8.762 0.019 A 57 ASP HA H 1 4.689 0.004 A 57 ASP HBx H 1 2.282 0.009 A 57 ASP HBy H 1 2.394 0.010 A 57 ASP C C 13 176.322 0.000 A 57 ASP CA C 13 52.911 0.055 A 57 ASP CB C 13 41.216 0.074 A 57 ASP N N 15 120.574 0.068 A 58 ASN H H 1 8.457 0.004 A 58 ASN HA H 1 4.580 0.005 A 58 ASN HBx H 1 2.935 0.003 A 58 ASN HBy H 1 3.096 0.007 A 58 ASN HD21 H 1 6.800 0.006 A 58 ASN HD22 H 1 7.494 0.010 A 58 ASN C C 13 174.296 0.000 A 58 ASN CA C 13 54.146 0.048 A 58 ASN CB C 13 37.538 0.094 A 58 ASN N N 15 122.233 0.031 A 58 ASN ND2 N 15 110.047 0.168 A 59 THR H H 1 8.411 0.007 A 59 THR HA H 1 4.284 0.005 A 59 THR HB H 1 4.433 0.007 A 59 THR HG2% H 1 0.871 0.003 A 59 THR C C 13 175.932 0.000 A 59 THR CA C 13 62.159 0.086 A 59 THR CB C 13 70.025 0.084 A 59 THR CG2 C 13 21.907 0.048 A 59 THR N N 15 104.777 0.069 A 60 ARG H H 1 7.589 0.004 A 60 ARG HA H 1 5.044 0.006 A 60 ARG HBx H 1 1.544 0.009 A 60 ARG HBy H 1 2.053 0.003 A 60 ARG HDx H 1 2.628 0.023 A 60 ARG HDy H 1 2.918 0.008 A 60 ARG HGx H 1 1.377 0.005 A 60 ARG HGy H 1 1.621 0.004 A 60 ARG C C 13 176.482 0.000 A 60 ARG CA C 13 56.516 0.079 A 60 ARG CB C 13 34.348 0.058 A 60 ARG CD C 13 44.233 0.079 A 60 ARG CG C 13 27.655 0.039 A 60 ARG N N 15 122.336 0.040 A 61 MET H H 1 9.018 0.004 A 61 MET HA H 1 4.997 0.007 A 61 MET HB2 H 1 1.935 0.005 A 61 MET HB3 H 1 1.935 0.005 A 61 MET HE% H 1 1.632 0.001 A 61 MET HGx H 1 2.143 0.005 A 61 MET HGy H 1 2.218 0.009 A 61 MET C C 13 172.463 0.000 A 61 MET CA C 13 55.330 0.069 A 61 MET CB C 13 37.234 0.123 A 61 MET CE C 13 18.289 0.029 A 61 MET CG C 13 32.093 0.060 A 61 MET N N 15 119.640 0.084 A 62 GLU H H 1 8.996 0.003 A 62 GLU HA H 1 5.365 0.007 A 62 GLU HB2 H 1 2.033 0.007 A 62 GLU HB3 H 1 2.033 0.007 A 62 GLU HG2 H 1 2.049 0.005 A 62 GLU HG3 H 1 2.049 0.005 A 62 GLU C C 13 173.523 0.000 A 62 GLU CA C 13 54.326 0.066 A 62 GLU CB C 13 33.915 0.071 A 62 GLU CG C 13 36.267 0.089 A 62 GLU N N 15 122.200 0.077 A 63 LEU H H 1 8.763 0.013 A 63 LEU HA H 1 5.222 0.007 A 63 LEU HBx H 1 1.314 0.006 A 63 LEU HBy H 1 1.531 0.005 A 63 LEU HDx% H 1 0.635 0.002 A 63 LEU HDy% H 1 0.702 0.004 A 63 LEU HG H 1 1.529 0.002 A 63 LEU C C 13 175.719 0.000 A 63 LEU CA C 13 53.222 0.079 A 63 LEU CB C 13 43.781 0.083 A 63 LEU CDy C 13 25.590 0.044 A 63 LEU CDx C 13 24.947 0.079 A 63 LEU CG C 13 28.056 0.062 A 63 LEU N N 15 123.741 0.133 A 64 ILE H H 1 9.006 0.009 A 64 ILE HA H 1 4.316 0.003 A 64 ILE HB H 1 1.668 0.005 A 64 ILE HD1% H 1 0.582 0.007 A 64 ILE HG1x H 1 0.338 0.009 A 64 ILE HG1y H 1 1.117 0.005 A 64 ILE HG2% H 1 0.609 0.006 A 64 ILE C C 13 175.349 0.000 A 64 ILE CA C 13 60.921 0.044 A 64 ILE CB C 13 39.919 0.097 A 64 ILE CD1 C 13 17.666 0.072 A 64 ILE CG1 C 13 27.628 0.111 A 64 ILE CG2 C 13 14.177 0.053 A 64 ILE N N 15 123.633 0.058 A 65 ILE H H 1 8.601 0.005 A 65 ILE HA H 1 4.854 0.005 A 65 ILE HB H 1 1.856 0.003 A 65 ILE HD1% H 1 0.928 0.002 A 65 ILE HG1x H 1 1.089 0.006 A 65 ILE HG1y H 1 1.478 0.002 A 65 ILE HG2% H 1 0.844 0.003 A 65 ILE CA C 13 58.440 0.066 A 65 ILE CB C 13 39.820 0.063 A 65 ILE CD1 C 13 17.784 0.079 A 65 ILE CG1 C 13 27.377 0.087 A 65 ILE CG2 C 13 14.349 0.050 A 65 ILE N N 15 128.410 0.051 A 66 PRO HA H 1 4.265 0.004 A 66 PRO HBx H 1 1.934 0.003 A 66 PRO HBy H 1 2.349 0.002 A 66 PRO HDx H 1 3.729 0.002 A 66 PRO HDy H 1 4.070 0.004 A 66 PRO HGx H 1 2.004 0.005 A 66 PRO HGy H 1 2.178 0.003 A 66 PRO C C 13 177.170 0.000 A 66 PRO CA C 13 64.500 0.067 A 66 PRO CB C 13 31.826 0.055 A 66 PRO CD C 13 51.715 0.080 A 66 PRO CG C 13 27.843 0.055 A 67 GLY H H 1 8.704 0.004 A 67 GLY HAx H 1 3.753 0.005 A 67 GLY HAy H 1 4.251 0.005 A 67 GLY C C 13 174.192 0.000 A 67 GLY CA C 13 45.479 0.062 A 67 GLY N N 15 111.825 0.049 A 68 GLU H H 1 8.258 0.004 A 68 GLU HA H 1 4.483 0.011 A 68 GLU HBx H 1 1.898 0.003 A 68 GLU HBy H 1 2.261 0.006 A 68 GLU HGx H 1 2.204 0.004 A 68 GLU HGy H 1 2.308 0.004 A 68 GLU C C 13 175.838 0.000 A 68 GLU CA C 13 56.178 0.061 A 68 GLU CB C 13 31.066 0.063 A 68 GLU CG C 13 35.944 0.098 A 68 GLU N N 15 118.446 0.032 A 69 GLN H H 1 8.102 0.007 A 69 GLN HA H 1 4.556 0.003 A 69 GLN HBx H 1 1.882 0.003 A 69 GLN HBy H 1 1.993 0.003 A 69 GLN HE21 H 1 6.981 0.009 A 69 GLN HE22 H 1 7.591 0.003 A 69 GLN HG2 H 1 2.329 0.002 A 69 GLN HG3 H 1 2.329 0.002 A 69 GLN C C 13 175.179 0.000 A 69 GLN CA C 13 55.633 0.081 A 69 GLN CB C 13 31.116 0.078 A 69 GLN CG C 13 33.983 0.059 A 69 GLN N N 15 117.826 0.061 A 69 GLN NE2 N 15 112.073 0.187 A 70 HIS H H 1 8.857 0.011 A 70 HIS HA H 1 4.923 0.008 A 70 HIS HBx H 1 2.720 0.009 A 70 HIS HBy H 1 2.947 0.009 A 70 HIS C C 13 173.113 0.000 A 70 HIS CA C 13 54.623 0.031 A 70 HIS CB C 13 30.231 0.090 A 70 HIS N N 15 120.752 0.092 A 71 PHE H H 1 9.120 0.007 A 71 PHE HA H 1 4.797 0.007 A 71 PHE HBx H 1 2.908 0.003 A 71 PHE HBy H 1 3.193 0.007 A 71 PHE HDx H 1 7.158 0.001 A 71 PHE HDy H 1 7.158 0.001 A 71 PHE C C 13 174.341 0.000 A 71 PHE CA C 13 56.191 0.073 A 71 PHE CB C 13 40.983 0.131 A 71 PHE N N 15 124.577 0.028 A 72 TYR H H 1 8.883 0.008 A 72 TYR HA H 1 5.142 0.003 A 72 TYR HBx H 1 2.995 0.009 A 72 TYR HBy H 1 3.182 0.003 A 72 TYR HDx H 1 7.083 0.002 A 72 TYR HDy H 1 7.083 0.002 A 72 TYR HEx H 1 6.604 0.001 A 72 TYR HEy H 1 6.604 0.001 A 72 TYR C C 13 175.115 0.000 A 72 TYR CA C 13 57.353 0.095 A 72 TYR CB C 13 39.753 0.046 A 72 TYR CDx C 13 131.183 0.062 A 72 TYR CDy C 13 131.183 0.062 A 72 TYR CEx C 13 116.388 0.033 A 72 TYR CEy C 13 116.388 0.033 A 72 TYR N N 15 124.010 0.044 A 73 MET H H 1 8.824 0.005 A 73 MET HA H 1 5.983 0.006 A 73 MET HBx H 1 1.665 0.006 A 73 MET HBy H 1 1.756 0.003 A 73 MET HE% H 1 1.307 0.002 A 73 MET HGx H 1 2.029 0.005 A 73 MET HGy H 1 2.197 0.004 A 73 MET C C 13 175.053 0.000 A 73 MET CA C 13 54.453 0.070 A 73 MET CB C 13 38.584 0.057 A 73 MET CE C 13 17.184 0.026 A 73 MET CG C 13 32.125 0.065 A 73 MET N N 15 120.151 0.052 A 74 LYS H H 1 9.103 0.002 A 74 LYS HA H 1 4.800 0.000 A 74 LYS HBx H 1 0.696 0.008 A 74 LYS HBy H 1 0.970 0.004 A 74 LYS HDx H 1 0.043 0.007 A 74 LYS HDy H 1 0.302 0.006 A 74 LYS HEx H 1 1.797 0.002 A 74 LYS HEy H 1 1.907 0.003 A 74 LYS HGx H 1 0.724 0.004 A 74 LYS HGy H 1 0.763 0.004 A 74 LYS C C 13 174.244 0.000 A 74 LYS CA C 13 55.314 0.047 A 74 LYS CB C 13 36.251 0.077 A 74 LYS CD C 13 28.599 0.066 A 74 LYS CE C 13 41.127 0.061 A 74 LYS CG C 13 23.982 0.066 A 74 LYS N N 15 121.097 0.036 A 75 ALA H H 1 8.740 0.005 A 75 ALA HA H 1 4.786 0.004 A 75 ALA HB% H 1 1.451 0.002 A 75 ALA C C 13 177.126 0.000 A 75 ALA CA C 13 49.893 0.068 A 75 ALA CB C 13 21.311 0.051 A 75 ALA N N 15 126.624 0.044 A 76 VAL H H 1 9.105 0.003 A 76 VAL HA H 1 3.835 0.003 A 76 VAL HB H 1 2.192 0.003 A 76 VAL HG1% H 1 1.111 0.001 A 76 VAL HG2% H 1 1.111 0.001 A 76 VAL C C 13 175.635 0.000 A 76 VAL CA C 13 64.888 0.073 A 76 VAL CB C 13 32.097 0.076 A 76 VAL CG1 C 13 21.026 0.055 A 76 VAL CG2 C 13 21.026 0.055 A 76 VAL N N 15 115.195 0.032 A 77 ASN H H 1 7.278 0.003 A 77 ASN HA H 1 4.476 0.004 A 77 ASN HBx H 1 3.150 0.022 A 77 ASN HBy H 1 3.215 0.005 A 77 ASN HD21 H 1 7.000 0.003 A 77 ASN HD22 H 1 7.618 0.004 A 77 ASN C C 13 174.796 0.000 A 77 ASN CA C 13 52.193 0.066 A 77 ASN CB C 13 39.702 0.063 A 77 ASN N N 15 109.430 0.039 A 77 ASN ND2 N 15 113.249 0.211 A 78 ALA H H 1 8.681 0.003 A 78 ALA HA H 1 4.195 0.004 A 78 ALA HB% H 1 1.407 0.003 A 78 ALA C C 13 180.157 0.000 A 78 ALA CA C 13 54.919 0.114 A 78 ALA CB C 13 18.721 0.060 A 78 ALA N N 15 121.886 0.052 A 79 ALA H H 1 8.386 0.004 A 79 ALA HA H 1 4.200 0.007 A 79 ALA HB% H 1 1.470 0.002 A 79 ALA C C 13 181.167 0.000 A 79 ALA CA C 13 55.195 0.096 A 79 ALA CB C 13 17.663 0.081 A 79 ALA N N 15 123.939 0.058 A 80 GLU H H 1 8.743 0.004 A 80 GLU HA H 1 4.260 0.005 A 80 GLU HBx H 1 2.091 0.003 A 80 GLU HBy H 1 2.321 0.005 A 80 GLU HG2 H 1 2.556 0.004 A 80 GLU HG3 H 1 2.556 0.004 A 80 GLU C C 13 178.848 0.000 A 80 GLU CA C 13 59.191 0.059 A 80 GLU CB C 13 29.898 0.051 A 80 GLU CG C 13 36.804 0.047 A 80 GLU N N 15 119.694 0.044 A 81 ARG H H 1 7.936 0.005 A 81 ARG HA H 1 3.780 0.004 A 81 ARG HBx H 1 1.717 0.006 A 81 ARG HBy H 1 2.344 0.009 A 81 ARG C C 13 177.596 0.000 A 81 ARG CA C 13 61.042 0.065 A 81 ARG CB C 13 29.630 0.067 A 81 ARG N N 15 119.080 0.043 A 82 GLN H H 1 8.063 0.005 A 82 GLN HA H 1 4.039 0.003 A 82 GLN HB2 H 1 2.253 0.002 A 82 GLN HB3 H 1 2.253 0.002 A 82 GLN HE21 H 1 6.849 0.004 A 82 GLN HE22 H 1 7.336 0.004 A 82 GLN HGx H 1 2.492 0.010 A 82 GLN HGy H 1 2.505 0.007 A 82 GLN C C 13 177.419 0.000 A 82 GLN CA C 13 59.069 0.072 A 82 GLN CB C 13 27.786 0.075 A 82 GLN CG C 13 33.002 0.063 A 82 GLN N N 15 118.390 0.045 A 82 GLN NE2 N 15 111.100 0.162 A 83 ARG H H 1 7.700 0.003 A 83 ARG HA H 1 3.961 0.006 A 83 ARG HBx H 1 1.804 0.005 A 83 ARG HBy H 1 1.898 0.003 A 83 ARG HD2 H 1 3.198 0.003 A 83 ARG HD3 H 1 3.198 0.003 A 83 ARG HE H 1 7.410 0.001 A 83 ARG HGx H 1 1.502 0.004 A 83 ARG HGy H 1 1.777 0.002 A 83 ARG C C 13 180.016 0.000 A 83 ARG CA C 13 59.750 0.066 A 83 ARG CB C 13 30.401 0.061 A 83 ARG CD C 13 43.671 0.062 A 83 ARG CG C 13 27.953 0.058 A 83 ARG N N 15 117.912 0.037 A 83 ARG NE N 15 84.331 0.068 A 84 TRP H H 1 7.895 0.008 A 84 TRP HA H 1 4.115 0.005 A 84 TRP HBx H 1 2.895 0.004 A 84 TRP HBy H 1 3.218 0.003 A 84 TRP HD1 H 1 7.249 0.009 A 84 TRP HE1 H 1 10.594 0.003 A 84 TRP HE3 H 1 7.124 0.004 A 84 TRP HZ2 H 1 6.648 0.009 A 84 TRP HZ3 H 1 6.595 0.004 A 84 TRP C C 13 178.111 0.000 A 84 TRP CA C 13 61.633 0.066 A 84 TRP CB C 13 29.032 0.088 A 84 TRP CD1 C 13 124.957 0.044 A 84 TRP CE3 C 13 116.871 0.018 A 84 TRP CZ2 C 13 112.053 0.040 A 84 TRP CZ3 C 13 119.237 0.000 A 84 TRP N N 15 119.237 0.048 A 84 TRP NE1 N 15 130.307 0.054 A 85 LEU H H 1 8.988 0.004 A 85 LEU HA H 1 3.978 0.004 A 85 LEU HBx H 1 1.509 0.004 A 85 LEU HBy H 1 1.936 0.003 A 85 LEU HDx% H 1 0.864 0.003 A 85 LEU HDy% H 1 0.791 0.002 A 85 LEU HG H 1 1.866 0.003 A 85 LEU C C 13 180.925 0.000 A 85 LEU CA C 13 58.716 0.073 A 85 LEU CB C 13 41.506 0.059 A 85 LEU CDx C 13 23.758 0.102 A 85 LEU CDy C 13 26.225 0.053 A 85 LEU CG C 13 26.695 0.090 A 85 LEU N N 15 119.853 0.047 A 86 VAL H H 1 8.233 0.007 A 86 VAL HA H 1 3.695 0.005 A 86 VAL HB H 1 2.085 0.003 A 86 VAL HGx% H 1 0.930 0.002 A 86 VAL HGy% H 1 1.101 0.002 A 86 VAL C C 13 178.733 0.000 A 86 VAL CA C 13 66.250 0.057 A 86 VAL CB C 13 31.886 0.038 A 86 VAL CGx C 13 20.937 0.055 A 86 VAL CGy C 13 22.739 0.058 A 86 VAL N N 15 120.164 0.038 A 87 ALA H H 1 7.345 0.007 A 87 ALA HA H 1 4.113 0.006 A 87 ALA HB% H 1 1.278 0.002 A 87 ALA C C 13 180.055 0.000 A 87 ALA CA C 13 55.410 0.064 A 87 ALA CB C 13 18.816 0.075 A 87 ALA N N 15 123.818 0.035 A 88 LEU H H 1 9.342 0.005 A 88 LEU HA H 1 4.003 0.002 A 88 LEU HBx H 1 1.391 0.003 A 88 LEU HBy H 1 1.925 0.005 A 88 LEU HDx% H 1 0.813 0.003 A 88 LEU HDy% H 1 1.115 0.002 A 88 LEU HG H 1 2.296 0.004 A 88 LEU C C 13 179.349 0.000 A 88 LEU CA C 13 57.786 0.077 A 88 LEU CB C 13 41.848 0.065 A 88 LEU CDy C 13 26.105 0.082 A 88 LEU CDx C 13 24.217 0.060 A 88 LEU CG C 13 26.844 0.079 A 88 LEU N N 15 117.857 0.044 A 89 GLY H H 1 8.252 0.005 A 89 GLY HAx H 1 3.819 0.001 A 89 GLY HAy H 1 3.948 0.004 A 89 GLY C C 13 176.463 0.000 A 89 GLY CA C 13 46.620 0.068 A 89 GLY N N 15 105.618 0.040 A 90 SER H H 1 8.068 0.005 A 90 SER HA H 1 4.377 0.002 A 90 SER HB2 H 1 3.988 0.002 A 90 SER HB3 H 1 3.988 0.002 A 90 SER C C 13 176.144 0.000 A 90 SER CA C 13 60.842 0.091 A 90 SER CB C 13 63.116 0.076 A 90 SER N N 15 117.602 0.034 A 91 SER H H 1 8.036 0.005 A 91 SER HA H 1 4.324 0.007 A 91 SER HB2 H 1 3.967 0.004 A 91 SER HB3 H 1 3.967 0.004 A 91 SER C C 13 175.818 0.000 A 91 SER CA C 13 60.720 0.159 A 91 SER CB C 13 63.831 0.077 A 91 SER N N 15 116.877 0.028 A 92 LYS H H 1 7.838 0.005 A 92 LYS HA H 1 4.068 0.004 A 92 LYS HBx H 1 1.803 0.007 A 92 LYS HBy H 1 1.976 0.005 A 92 LYS HDx H 1 1.727 0.010 A 92 LYS HDy H 1 1.765 0.022 A 92 LYS HEx H 1 2.884 0.001 A 92 LYS HEy H 1 3.110 0.002 A 92 LYS HGx H 1 1.388 0.006 A 92 LYS HGy H 1 1.594 0.006 A 92 LYS C C 13 177.235 0.000 A 92 LYS CA C 13 58.121 0.080 A 92 LYS CB C 13 32.263 0.059 A 92 LYS CD C 13 29.001 0.051 A 92 LYS CE C 13 42.085 0.077 A 92 LYS CG C 13 24.792 0.067 A 92 LYS N N 15 119.456 0.046 A 93 ALA H H 1 7.924 0.002 A 93 ALA HA H 1 4.321 0.003 A 93 ALA HB% H 1 1.453 0.004 A 93 ALA C C 13 178.323 0.000 A 93 ALA CA C 13 53.435 0.078 A 93 ALA CB C 13 18.969 0.064 A 93 ALA N N 15 122.054 0.039 A 94 SER H H 1 8.061 0.004 A 94 SER HA H 1 4.451 0.008 A 94 SER HB2 H 1 3.966 0.003 A 94 SER HB3 H 1 3.966 0.003 A 94 SER C C 13 174.773 0.000 A 94 SER CA C 13 59.086 0.055 A 94 SER CB C 13 63.766 0.056 A 94 SER N N 15 114.102 0.033 A 95 LEU H H 1 8.053 0.007 A 95 LEU HA H 1 4.507 0.003 A 95 LEU HBx H 1 1.652 0.003 A 95 LEU HBy H 1 1.755 0.003 A 95 LEU HDx% H 1 0.892 0.002 A 95 LEU HDy% H 1 0.942 0.004 A 95 LEU HG H 1 1.765 0.005 A 95 LEU C C 13 177.589 0.000 A 95 LEU CA C 13 55.398 0.052 A 95 LEU CB C 13 42.435 0.057 A 95 LEU CDx C 13 23.472 0.093 A 95 LEU CDy C 13 25.555 0.055 A 95 LEU CG C 13 26.968 0.079 A 95 LEU N N 15 123.264 0.057 A 96 THR H H 1 8.045 0.006 A 96 THR HA H 1 4.383 0.006 A 96 THR HB H 1 4.268 0.006 A 96 THR HG2% H 1 1.219 0.003 A 96 THR C C 13 174.128 0.000 A 96 THR CA C 13 61.982 0.070 A 96 THR CB C 13 69.938 0.075 A 96 THR CG2 C 13 21.634 0.101 A 96 THR N N 15 113.833 0.091 A 97 ASP H H 1 8.346 0.002 A 97 ASP HA H 1 4.740 0.004 A 97 ASP HBx H 1 2.680 0.003 A 97 ASP HBy H 1 2.786 0.002 A 97 ASP C C 13 176.310 0.000 A 97 ASP CA C 13 54.300 0.029 A 97 ASP CB C 13 41.174 0.050 A 97 ASP N N 15 123.107 0.033 A 98 THR H H 1 8.147 0.003 A 98 THR HA H 1 4.355 0.002 A 98 THR HB H 1 4.276 0.006 A 98 THR HG2% H 1 1.212 0.006 A 98 THR C C 13 174.523 0.000 A 98 THR CA C 13 61.937 0.040 A 98 THR CB C 13 69.656 0.068 A 98 THR CG2 C 13 21.666 0.107 A 98 THR N N 15 114.857 0.018 A 99 ARG H H 1 8.385 0.004 A 99 ARG HA H 1 4.442 0.004 A 99 ARG HBx H 1 1.837 0.004 A 99 ARG HBy H 1 1.939 0.003 A 99 ARG HD2 H 1 3.216 0.013 A 99 ARG HD3 H 1 3.216 0.013 A 99 ARG HE H 1 7.370 0.001 A 99 ARG HG2 H 1 1.679 0.005 A 99 ARG HG3 H 1 1.679 0.005 A 99 ARG C C 13 175.764 0.000 A 99 ARG CA C 13 56.311 0.072 A 99 ARG CB C 13 30.745 0.050 A 99 ARG CD C 13 43.423 0.073 A 99 ARG CG C 13 27.020 0.047 A 99 ARG N N 15 123.999 0.013 A 99 ARG NE N 15 85.054 0.039 A 100 THR H H 1 7.832 0.003 A 100 THR HA H 1 4.162 0.003 A 100 THR HB H 1 4.248 0.002 A 100 THR HG2% H 1 1.170 0.002 A 100 THR CA C 13 63.174 0.018 A 100 THR CB C 13 70.741 0.073 A 100 THR CG2 C 13 22.165 0.056 A 100 THR N N 15 120.262 0.025 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _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 36 VAL HA A 30 TYR HDy 1.0 1.724 3.304 2 1 A 30 TYR HDx A 36 VAL HA 1.0 1.724 3.304 3 2 A 30 TYR HDy A 19 TRP HD1 1.0 1.771 3.519 4 2 A 30 TYR HDx A 19 TRP HD1 1.0 1.771 3.519 5 3 A 11 TYR H A 11 TYR HDy 1.0 1.743 3.389 6 3 A 11 TYR HDx A 11 TYR H 1.0 1.743 3.389 7 4 A 5 LEU HBx A 20 PHE HDy 1.0 1.769 3.509 8 4 A 20 PHE HDx A 5 LEU HBx 1.0 1.769 3.509 9 5 A 20 PHE HDy A 20 PHE HEx 1.0 1.599 2.821 10 5 A 20 PHE HDy A 20 PHE HEy 1.0 1.599 2.821 11 5 A 20 PHE HDx A 20 PHE HEy 1.0 1.599 2.821 12 5 A 20 PHE HDx A 20 PHE HEx 1.0 1.599 2.821 13 6 A 0 PHE HA A 0 PHE HDy 1.0 1.787 3.601 14 6 A 0 PHE HDx A 0 PHE HA 1.0 1.787 3.601 15 7 A 20 PHE HEy A 20 PHE HZ 1.0 1.645 2.987 16 7 A 20 PHE HEx A 20 PHE HZ 1.0 1.645 2.987 17 8 A 84 TRP HD1 A 84 TRP H 1.0 1.793 3.631 18 9 A 8 TRP HH2 A 8 TRP HZ2 1.0 1.643 2.977 19 10 A 8 TRP HH2 A 8 TRP HZ3 1.0 1.664 3.058 20 11 A 19 TRP HE3 A 19 TRP HZ3 1.0 1.723 3.303 21 12 A 15 TRP HE3 A 15 TRP HZ3 1.0 1.774 3.536 22 13 A 19 TRP HD1 A 19 TRP HE1 1.0 1.638 2.958 23 14 A 84 TRP HD1 A 84 TRP HE1 1.0 1.635 2.949 24 15 A 8 TRP HE1 A 8 TRP HD1 1.0 1.721 3.289 25 16 A 15 TRP HE1 A 15 TRP HD1 1.0 1.620 2.894 26 17 A 84 TRP HZ3 A 84 TRP HE3 1.0 1.693 3.169 27 18 A 30 TYR HDy A 30 TYR HEx 1.0 1.554 2.668 28 18 A 30 TYR HDy A 30 TYR HEy 1.0 1.554 2.668 29 18 A 30 TYR HDx A 30 TYR HEy 1.0 1.554 2.668 30 18 A 30 TYR HDx A 30 TYR HEx 1.0 1.554 2.668 31 19 A 30 TYR HEy A 40 SER HA 1.0 1.794 3.636 32 19 A 30 TYR HEx A 40 SER HA 1.0 1.794 3.636 33 20 A 72 TYR HEx A 72 TYR HDy 1.0 1.439 2.323 34 20 A 72 TYR HEy A 72 TYR HDy 1.0 1.439 2.323 35 20 A 72 TYR HDx A 72 TYR HEy 1.0 1.439 2.323 36 20 A 72 TYR HDx A 72 TYR HEx 1.0 1.439 2.323 37 21 A 11 TYR HDy A 11 TYR HEx 1.0 1.355 2.101 38 21 A 11 TYR HDy A 11 TYR HEy 1.0 1.355 2.101 39 21 A 11 TYR HDx A 11 TYR HEy 1.0 1.355 2.101 40 21 A 11 TYR HDx A 11 TYR HEx 1.0 1.355 2.101 41 22 A 15 TRP HE1 A 15 TRP HZ2 1.0 1.803 3.683 42 23 A 19 TRP HE1 A 19 TRP HZ2 1.0 1.767 3.505 43 24 A 15 TRP HZ2 A 15 TRP HH2 1.0 1.676 3.102 44 25 A 19 TRP HZ2 A 19 TRP HH2 1.0 1.556 2.674 45 26 A 8 TRP HZ2 A 8 TRP HE1 1.0 1.790 3.614 46 27 A 84 TRP HE1 A 84 TRP HZ2 1.0 1.772 3.528 47 28 A 19 TRP HD1 A 33 GLN HA 1.0 1.858 4.012 48 29 A 29 TYR HEx A 29 TYR HDy 1.0 1.426 2.290 49 29 A 29 TYR HEy A 29 TYR HDy 1.0 1.426 2.290 50 29 A 29 TYR HDx A 29 TYR HEy 1.0 1.426 2.290 51 29 A 29 TYR HDx A 29 TYR HEx 1.0 1.426 2.290 52 30 A 15 TRP HZ3 A 15 TRP HH2 1.0 1.728 3.320 53 31 A 15 TRP HD1 A 15 TRP H 1.0 1.808 3.714 54 32 A 72 TYR HDy A 72 TYR H 1.0 1.864 6.000 55 32 A 72 TYR HDx A 72 TYR H 1.0 1.864 6.000 56 33 A 20 PHE HDy A 20 PHE HA 1.0 1.873 4.111 57 33 A 20 PHE HDx A 20 PHE HA 1.0 1.873 4.111 58 34 A 5 LEU HBx A 20 PHE HEy 1.0 1.865 4.061 59 34 A 5 LEU HBx A 20 PHE HEx 1.0 1.865 4.061 60 35 A 20 PHE HEy A 44 ILE HG1y 1.0 1.896 6.000 61 35 A 20 PHE HEx A 44 ILE HG1y 1.0 1.896 6.000 62 36 A 8 TRP HZ3 A 8 TRP HE3 1.0 1.740 3.378 63 37 A 11 TYR HDy A 11 TYR HA 1.0 1.816 3.760 64 37 A 11 TYR HDx A 11 TYR HA 1.0 1.816 3.760 65 38 A 15 TRP HZ3 A 15 TRP HZ2 1.0 1.800 6.000 66 39 A 19 TRP HZ3 A 4 VAL H 1.0 1.898 6.000 67 40 A 76 VAL H A 75 ALA HA 1.0 1.634 2.944 68 41 A 21 VAL HA A 22 LEU H 1.0 1.717 3.275 69 42 A 22 LEU HBx A 22 LEU H 1.0 1.806 3.700 70 43 A 1 MET HBy A 22 LEU H 1.0 1.763 3.485 71 44 A 4 VAL HGx% A 18 ARG H 1.0 1.796 3.648 72 45 A 86 VAL HGx% A 87 ALA H 1.0 1.775 3.543 73 46 A 53 VAL H A 53 VAL HGx% 1.0 1.652 3.010 74 47 A 63 LEU H A 63 LEU HBx 1.0 1.765 3.491 75 48 A 95 LEU H A 95 LEU HBy 1.0 1.737 3.365 76 49 A 95 LEU H A 95 LEU HBx 1.0 1.546 2.642 77 50 A 95 LEU H A 94 SER HA 1.0 1.593 2.801 78 51 A 33 GLN H A 33 GLN HBy 1.0 1.655 3.023 79 52 A 33 GLN H A 33 GLN HBx 1.0 1.665 3.061 80 53 A 97 ASP H A 97 ASP HBx 1.0 1.679 6.000 81 54 A 97 ASP H A 97 ASP HBy 1.0 1.604 6.000 82 55 A 97 ASP H A 96 THR HA 1.0 1.485 2.457 83 56 A 97 ASP H A 97 ASP HA 1.0 1.564 2.702 84 57 A 0 PHE HA A 0 PHE H 1.0 1.806 3.704 85 58 A 26 ILE HG1y A 26 ILE H 1.0 1.834 6.000 86 59 A 1 MET H A 22 LEU H 1.0 1.814 3.742 87 60 A 5 LEU H A 18 ARG H 1.0 1.776 3.546 88 61 A 87 ALA H A 88 LEU H 1.0 1.725 3.311 89 62 A 86 VAL H A 87 ALA H 1.0 1.675 3.101 90 63 A 16 GLN H A 7 LYS H 1.0 1.798 3.660 91 64 A 60 ARG H A 59 THR H 1.0 1.617 6.000 92 65 A 25 GLY H A 26 ILE H 1.0 1.727 3.315 93 66 A 78 ALA H A 79 ALA H 1.0 1.676 3.106 94 67 A 86 VAL H A 85 LEU H 1.0 1.759 3.463 95 68 A 84 TRP H A 85 LEU H 1.0 1.715 3.265 96 69 A 79 ALA H A 80 GLU H 1.0 1.633 2.943 97 70 A 47 ALA H A 46 MET H 1.0 1.746 3.402 98 71 A 80 GLU H A 81 ARG H 1.0 1.664 3.058 99 72 A 82 GLN H A 83 ARG H 1.0 1.660 3.042 100 73 A 33 GLN H A 34 ASP H 1.0 1.663 3.053 101 74 A 9 THR H A 10 ASN H 1.0 1.708 3.236 102 75 A 68 GLU H A 67 GLY H 1.0 1.674 3.096 103 76 A 76 VAL H A 77 ASN H 1.0 1.626 2.914 104 77 A 80 GLU H A 77 ASN H 1.0 1.762 3.476 105 78 A 3 GLY H A 20 PHE H 1.0 1.796 3.648 106 79 A 31 ASP H A 32 SER H 1.0 1.677 3.107 107 80 A 47 ALA H A 48 VAL H 1.0 1.748 3.410 108 81 A 48 VAL H A 49 CYS H 1.0 1.597 2.809 109 82 A 89 GLY H A 88 LEU H 1.0 1.769 3.513 110 83 A 25 GLY H A 24 ASN H 1.0 1.754 3.440 111 84 A 59 THR H A 59 THR HA 1.0 1.844 3.922 112 85 A 39 GLY H A 38 LYS HA 1.0 1.742 3.386 113 86 A 32 SER H A 32 SER HA 1.0 1.707 3.229 114 87 A -4 GLY H A -3 SER HA 1.0 1.766 6.000 115 88 A 43 SER H A 43 SER HA 1.0 1.752 3.430 116 89 A 96 THR H A 95 LEU HA 1.0 1.590 2.788 117 90 A 98 THR H A 98 THR HA 1.0 1.675 3.101 118 91 A 97 ASP HA A 98 THR H 1.0 1.461 2.385 119 92 A 29 TYR H A 28 SER HBy 1.0 1.706 3.228 120 93 A 40 SER HA A 40 SER H 1.0 1.704 3.222 121 94 A 40 SER H A 40 SER HBy 1.0 1.683 3.135 122 95 A 40 SER H A 40 SER HBx 1.0 1.782 3.572 123 96 A -3 SER HA A -3 SER H 1.0 1.606 2.842 124 97 A 91 SER H A 91 SER HA 1.0 1.685 3.139 125 98 A 35 ASP H A 35 ASP HA 1.0 1.714 3.262 126 99 A 35 ASP H A 35 ASP HBx 1.0 1.700 3.202 127 100 A 90 SER H A 87 ALA HA 1.0 1.804 6.000 128 101 A 72 TYR HBx A 73 MET H 1.0 1.856 4.000 129 102 A 84 TRP HBx A 85 LEU H 1.0 1.856 3.998 130 103 A 100 THR H A 100 THR HA 1.0 1.783 3.583 131 104 A 55 SER H A 54 HIS HA 1.0 1.769 3.513 132 105 A 70 HIS H A 69 GLN HA 1.0 1.525 6.000 133 106 A 41 LYS H A 41 LYS HA 1.0 1.772 3.530 134 107 A 35 ASP HA A 38 LYS H 1.0 1.847 3.937 135 108 A 78 ALA H A 77 ASN HBy 1.0 1.629 2.925 136 109 A 60 ARG H A 60 ARG HA 1.0 1.828 3.822 137 110 A 58 ASN H A 58 ASN HBy 1.0 1.792 3.628 138 111 A 35 ASP HA A 36 VAL H 1.0 1.800 3.670 139 112 A 19 TRP H A 18 ARG HA 1.0 1.735 3.355 140 113 A 16 GLN H A 15 TRP HA 1.0 1.641 2.969 141 114 A 99 ARG H A 99 ARG HA 1.0 1.628 2.922 142 115 A 98 THR HA A 99 ARG H 1.0 1.540 2.622 143 116 A 53 VAL H A 52 LYS HA 1.0 1.561 2.689 144 117 A 72 TYR H A 72 TYR HBy 1.0 1.772 3.526 145 118 A 51 ILE H A 50 GLU HA 1.0 1.570 2.720 146 119 A 71 PHE H A 70 HIS HA 1.0 1.627 2.917 147 120 A 71 PHE H A 71 PHE HA 1.0 1.824 3.802 148 121 A 71 PHE H A 71 PHE HBx 1.0 1.848 3.946 149 122 A 50 GLU H A 49 CYS HA 1.0 1.643 2.975 150 123 A 50 GLU HA A 50 GLU H 1.0 1.872 4.104 151 124 A 75 ALA HA A 75 ALA H 1.0 1.595 2.805 152 125 A 52 LYS HA A 52 LYS H 1.0 1.827 3.821 153 126 A 51 ILE HA A 52 LYS H 1.0 1.624 2.904 154 127 A 20 PHE HBx A 20 PHE H 1.0 1.841 3.905 155 128 A 65 ILE H A 65 ILE HG1x 1.0 1.824 3.804 156 129 A 52 LYS HBx A 52 LYS H 1.0 1.854 3.986 157 130 A 45 LYS H A 45 LYS HGx 1.0 1.844 6.000 158 131 A 45 LYS H A 45 LYS HBx 1.0 1.693 3.171 159 132 A 54 HIS H A 54 HIS HBy 1.0 1.816 3.756 160 133 A 4 VAL HGy% A 5 LEU H 1.0 1.892 4.248 161 134 A 5 LEU HBx A 5 LEU H 1.0 1.874 4.120 162 135 A 24 ASN H A 24 ASN HBy 1.0 1.826 3.814 163 136 A 50 GLU H A 50 GLU HBy 1.0 1.793 3.635 164 137 A 51 ILE H A 51 ILE HG1y 1.0 1.758 6.000 165 138 A 51 ILE H A 50 GLU HBx 1.0 1.828 3.822 166 139 A 86 VAL HGy% A 87 ALA H 1.0 1.783 6.000 167 140 A 44 ILE H A 26 ILE HG2% 1.0 1.863 4.041 168 141 A 16 GLN H A 16 GLN HBy 1.0 1.758 3.462 169 142 A 16 GLN H A 9 THR HG2% 1.0 1.824 3.802 170 143 A -5 LEU H A -5 LEU HBx 1.0 1.570 2.722 171 144 A 60 ARG H A 60 ARG HBx 1.0 1.845 3.929 172 145 A 60 ARG H A 60 ARG HBy 1.0 1.726 3.312 173 146 A 58 ASN H A 58 ASN HBx 1.0 1.737 3.359 174 147 A 27 LEU HDy% A 23 ASP H 1.0 1.852 3.970 175 148 A 93 ALA H A 92 LYS HBy 1.0 1.794 6.000 176 149 A 36 VAL H A 38 LYS HGy 1.0 1.885 4.193 177 150 A 36 VAL H A 36 VAL HGx% 1.0 1.731 6.000 178 151 A 38 LYS H A 38 LYS HDy 1.0 1.780 3.564 179 152 A 41 LYS H A 41 LYS HDy 1.0 1.797 3.653 180 153 A 74 LYS H A 74 LYS HBx 1.0 1.853 3.979 181 154 A 74 LYS H A 74 LYS HBy 1.0 1.782 3.580 182 155 A 12 LEU H A 12 LEU HBx 1.0 1.732 6.000 183 156 A 12 LEU H A 12 LEU HBy 1.0 1.620 2.896 184 157 A 70 HIS H A 69 GLN HBy 1.0 1.826 3.812 185 158 A 70 HIS H A 70 HIS HBx 1.0 1.765 3.491 186 159 A 70 HIS H A 70 HIS HBy 1.0 1.808 3.714 187 160 A 70 HIS H A 69 GLN HBx 1.0 1.813 3.739 188 161 A 73 MET HGy A 73 MET H 1.0 1.847 6.000 189 162 A 86 VAL HGx% A 86 VAL H 1.0 1.718 6.000 190 163 A 86 VAL H A 85 LEU HBy 1.0 1.809 3.719 191 164 A 85 LEU HBx A 85 LEU H 1.0 1.796 3.648 192 165 A 100 THR H A 100 THR HG2% 1.0 1.836 3.874 193 166 A 100 THR H A 64 ILE HG2% 1.0 1.847 6.000 194 167 A 88 LEU HDy% A 85 LEU H 1.0 1.775 6.000 195 168 A 92 LYS H A 92 LYS HBx 1.0 1.691 3.161 196 169 A 80 GLU H A 80 GLU HG3 1.0 1.671 3.087 197 170 A 80 GLU H A 80 GLU HBx 1.0 1.682 6.000 198 171 A 92 LYS HBy A 92 LYS H 1.0 1.626 2.912 199 172 A 92 LYS H A 92 LYS HGy 1.0 1.843 3.917 200 173 A 83 ARG HBy A 84 TRP H 1.0 1.749 3.421 201 174 A 47 ALA H A 45 LYS HGy 1.0 1.843 3.915 202 175 A 47 ALA H A 46 MET HBx 1.0 1.822 3.794 203 176 A 81 ARG H A 81 ARG HBy 1.0 1.649 2.999 204 177 A 81 ARG H A 81 ARG HBx 1.0 1.666 3.066 205 178 A 68 GLU H A 68 GLU HGx 1.0 1.748 3.410 206 179 A 68 GLU H A 68 GLU HBy 1.0 1.694 6.000 207 180 A 82 GLN H A 81 ARG HBx 1.0 1.792 3.628 208 181 A 15 TRP HE3 A 7 LYS HBx 1.0 1.802 6.000 209 182 A 27 LEU HDy% A 88 LEU H 1.0 1.869 6.000 210 183 A 88 LEU HBy A 88 LEU H 1.0 1.858 4.010 211 184 A 69 GLN HBx A 69 GLN H 1.0 1.841 3.901 212 185 A 20 PHE HBx A 21 VAL H 1.0 1.868 4.076 213 186 A 35 ASP H A 35 ASP HBy 1.0 1.633 2.941 214 187 A 33 GLN HBx A 34 ASP H 1.0 1.844 3.920 215 188 A 34 ASP H A 34 ASP HBx 1.0 1.652 3.014 216 189 A 34 ASP H A 34 ASP HBy 1.0 1.567 2.709 217 190 A 37 CYS H A 36 VAL HGy% 1.0 1.768 6.000 218 191 A 98 THR H A 98 THR HG2% 1.0 1.664 3.056 219 192 A 97 ASP HBx A 98 THR H 1.0 1.829 3.833 220 193 A 97 ASP HBy A 98 THR H 1.0 1.844 3.920 221 194 A 67 GLY H A 66 PRO HBx 1.0 1.862 4.040 222 195 A 67 GLY H A 66 PRO HBy 1.0 1.832 3.850 223 196 A -4 GLY H A -5 LEU HG 1.0 1.806 6.000 224 197 A 77 ASN H A 80 GLU HBx 1.0 1.698 3.190 225 198 A 42 GLY H A 41 LYS HBx 1.0 1.866 4.058 226 199 A 63 LEU H A 63 LEU HBy 1.0 1.859 4.017 227 200 A 72 TYR H A 72 TYR HBx 1.0 1.800 3.668 228 201 A 93 ALA H A 92 LYS HBx 1.0 1.734 3.346 229 202 A -5 LEU H A -5 LEU HA 1.0 1.684 3.136 230 203 A 58 ASN H A 57 ASP HA 1.0 1.579 2.749 231 204 A 58 ASN H A 58 ASN HA 1.0 1.728 3.320 232 205 A -3 SER HA A -5 LEU H 1.0 1.773 6.000 233 206 A 15 TRP HZ3 A 74 LYS H 1.0 1.873 6.000 234 207 A 30 TYR H A 30 TYR HA 1.0 1.864 4.046 235 208 A 30 TYR H A 29 TYR HBx 1.0 1.863 4.039 236 209 A 30 TYR H A 29 TYR HBy 1.0 1.852 3.972 237 210 A 83 ARG H A 83 ARG HGx 1.0 1.822 3.790 238 211 A 11 TYR H A 10 ASN HBx 1.0 1.741 3.383 239 212 A 84 TRP HZ2 A 3 GLY H 1.0 1.814 3.748 240 213 A 39 GLY H A 40 SER H 1.0 1.808 3.716 241 214 A 19 TRP HE1 A 36 VAL HGx% 1.0 1.877 4.137 242 215 A 20 PHE HA A 20 PHE H 1.0 1.891 4.241 243 216 A 74 LYS H A 6 TYR H 1.0 1.756 3.450 244 217 A 84 TRP HD1 A 81 ARG H 1.0 1.818 6.000 245 218 A 84 TRP HE1 A 84 TRP HE3 1.0 1.873 6.000 246 219 A 40 SER HA A 42 GLY H 1.0 1.871 4.095 247 220 A 41 LYS H A 42 GLY H 1.0 1.647 2.991 248 221 A 46 MET H A 46 MET HBy 1.0 1.734 3.352 249 222 A 0 PHE H A -1 GLU H 1.0 1.777 6.000 250 223 A 10 ASN H A 14 GLY H 1.0 1.741 3.381 251 224 A 11 TYR H A 12 LEU H 1.0 1.833 3.857 252 225 A 12 LEU H A 13 THR H 1.0 1.581 2.757 253 226 A 21 VAL H A 28 SER H 1.0 1.832 3.846 254 227 A 23 ASP H A 26 ILE H 1.0 1.801 3.673 255 228 A 24 ASN H A 26 ILE H 1.0 1.859 4.015 256 229 A 33 GLN H A 32 SER H 1.0 1.868 6.000 257 230 A 34 ASP H A 35 ASP H 1.0 1.602 2.830 258 231 A 35 ASP H A 36 VAL H 1.0 1.594 2.804 259 232 A 36 VAL H A 37 CYS H 1.0 1.716 3.272 260 233 A 39 GLY H A 38 LYS H 1.0 1.538 2.616 261 234 A 50 GLU H A 64 ILE H 1.0 1.772 3.524 262 235 A 62 GLU H A 52 LYS H 1.0 1.785 3.589 263 236 A 61 MET H A 73 MET H 1.0 1.802 6.000 264 237 A 65 ILE H A 69 GLN H 1.0 1.873 4.111 265 238 A 68 GLU H A 69 GLN H 1.0 1.656 3.026 266 239 A 72 TYR H A 71 PHE H 1.0 1.906 4.364 267 240 A 76 VAL H A 75 ALA H 1.0 1.866 6.000 268 241 A 81 ARG H A 77 ASN H 1.0 1.811 3.731 269 242 A 81 ARG H A 82 GLN H 1.0 1.606 2.840 270 243 A 83 ARG H A 84 TRP H 1.0 1.640 2.964 271 244 A 89 GLY H A 90 SER H 1.0 1.615 2.875 272 245 A 91 SER H A 92 LYS H 1.0 1.672 3.088 273 246 A 7 LYS HA A 7 LYS H 1.0 1.871 4.099 274 247 A 10 ASN H A 9 THR HB 1.0 1.749 3.419 275 248 A 10 ASN H A 13 THR HB 1.0 1.861 4.031 276 249 A 10 ASN H A 9 THR HG2% 1.0 1.836 3.874 277 250 A 18 ARG HA A 18 ARG H 1.0 1.844 3.922 278 251 A 4 VAL HA A 20 PHE H 1.0 1.895 4.271 279 252 A 22 LEU HA A 22 LEU H 1.0 1.880 4.164 280 253 A 26 ILE HA A 26 ILE H 1.0 1.769 3.513 281 254 A 26 ILE HA A 27 LEU H 1.0 1.730 3.330 282 255 A 36 VAL HGx% A 37 CYS H 1.0 1.822 3.790 283 256 A 49 CYS H A 48 VAL HA 1.0 1.724 3.304 284 257 A 49 CYS H A 49 CYS HA 1.0 1.841 3.907 285 258 A 60 ARG H A 60 ARG HDx 1.0 1.861 4.029 286 259 A 65 ILE H A 65 ILE HA 1.0 1.856 3.996 287 260 A 72 TYR H A 72 TYR HA 1.0 1.866 4.066 288 261 A 72 TYR H A 71 PHE HA 1.0 1.584 2.766 289 262 A 73 MET HA A 73 MET H 1.0 1.886 4.206 290 263 A 75 ALA HA A 74 LYS H 1.0 1.887 6.000 291 264 A 91 SER HA A 92 LYS H 1.0 1.866 4.064 292 265 A 63 LEU HDy% A 52 LYS H 1.0 1.706 3.226 293 266 A 17 PRO HA A 17 PRO HBx 1.0 1.533 2.599 294 267 A 17 PRO HA A 17 PRO HBy 1.0 1.543 2.633 295 268 A 9 THR H A 8 TRP HA 1.0 1.519 2.557 296 269 A 19 TRP HA A 20 PHE H 1.0 1.447 2.345 297 270 A 9 THR HB A 9 THR HA 1.0 1.462 6.000 298 271 A 9 THR HG2% A 9 THR HA 1.0 1.389 2.187 299 272 A 84 TRP HA A 84 TRP H 1.0 1.608 2.850 300 273 A 84 TRP HA A 87 ALA H 1.0 1.682 6.000 301 274 A 84 TRP HA A 87 ALA HB% 1.0 1.459 6.000 302 275 A 0 PHE HA A 1 MET H 1.0 1.411 2.247 303 276 A 6 TYR HBx A 6 TYR H 1.0 1.696 3.186 304 277 A 84 TRP HE3 A 84 TRP HBy 1.0 1.657 3.033 305 278 A 20 PHE HBy A 20 PHE H 1.0 1.644 2.982 306 279 A 63 LEU HBx A 71 PHE HBy 1.0 1.579 2.749 307 280 A 63 LEU HBy A 71 PHE HBy 1.0 1.675 3.101 308 281 A 71 PHE H A 71 PHE HBy 1.0 1.648 2.998 309 282 A 51 ILE H A 51 ILE HG2% 1.0 1.588 2.780 310 283 A 95 LEU HDy% A 47 ALA HB% 1.0 1.458 6.000 311 284 A 30 TYR HEx A 21 VAL HGy% 1.0 1.487 2.459 312 284 A 30 TYR HEy A 21 VAL HGy% 1.0 1.487 2.459 313 285 A 19 TRP HD1 A 21 VAL HGx% 1.0 1.548 2.648 314 286 A 21 VAL HGx% A 2 GLU HA 1.0 1.667 3.071 315 287 A 19 TRP HE1 A 21 VAL HGx% 1.0 1.449 2.351 316 288 A 61 MET HGx A 85 LEU HDx% 1.0 1.603 2.833 317 289 A 85 LEU HDx% A 61 MET HGy 1.0 1.621 2.897 318 290 A 85 LEU HDx% A 61 MET HE% 1.0 1.468 2.408 319 291 A 85 LEU HBx A 85 LEU HDy% 1.0 1.325 6.000 320 292 A 38 LYS H A 38 LYS HDx 1.0 1.627 2.919 321 293 A 38 LYS HGy A 38 LYS HDx 1.0 1.438 2.320 322 294 A 5 LEU HG A 5 LEU HDy% 1.0 1.458 2.376 323 295 A 27 LEU HBx A 27 LEU HDx% 1.0 1.471 2.415 324 296 A 27 LEU HDx% A 44 ILE HD1% 1.0 1.701 3.207 325 297 A 27 LEU HDx% A 44 ILE HB 1.0 1.606 2.842 326 298 A 88 LEU HDy% A 61 MET HE% 1.0 1.627 2.919 327 299 A 88 LEU HDy% A 84 TRP HBy 1.0 1.677 3.111 328 300 A 84 TRP HE3 A 88 LEU HDy% 1.0 1.642 2.972 329 301 A 85 LEU HDx% A 85 LEU H 1.0 1.605 2.837 330 302 A 85 LEU HG A 85 LEU H 1.0 1.546 6.000 331 303 A 88 LEU HG A 88 LEU H 1.0 1.623 2.903 332 304 A 33 GLN HBy A 34 ASP H 1.0 1.636 2.950 333 305 A 22 LEU HG A 88 LEU HA 1.0 1.468 6.000 334 306 A 26 ILE HG1x A 26 ILE H 1.0 1.613 2.869 335 307 A 26 ILE HG1y A 26 ILE HG2% 1.0 1.274 6.000 336 308 A 44 ILE HG1y A 44 ILE H 1.0 1.635 2.947 337 309 A 83 ARG HGx A 83 ARG HGy 1.0 1.226 1.798 338 310 A 83 ARG H A 83 ARG HGy 1.0 1.566 2.706 339 311 A 63 LEU HG A 63 LEU HDx% 1.0 1.436 2.316 340 312 A 63 LEU HBy A 63 LEU HG 1.0 1.471 2.417 341 313 A 60 ARG HGy A 78 ALA HA 1.0 1.497 6.000 342 314 A 64 ILE HG2% A 52 LYS HD3 1.0 1.474 2.422 343 315 A 45 LYS HD2 A 45 LYS HBy 1.0 1.483 2.449 344 316 A 77 ASN H A 80 GLU HBy 1.0 1.558 2.682 345 317 A 81 ARG H A 80 GLU HBy 1.0 1.679 3.115 346 318 A 80 GLU H A 80 GLU HBy 1.0 1.499 2.495 347 319 A 49 CYS HB3 A 65 ILE HB 1.0 1.545 2.641 348 320 A 49 CYS HB3 A 65 ILE HG2% 1.0 1.683 3.129 349 321 A 49 CYS HB2 A 46 MET HA 1.0 1.657 3.027 350 322 A 68 GLU H A 68 GLU HBx 1.0 1.673 3.093 351 323 A 36 VAL HA A 36 VAL HB 1.0 1.636 6.000 352 324 A 36 VAL H A 36 VAL HB 1.0 1.429 6.000 353 325 A 37 CYS H A 36 VAL HB 1.0 1.624 2.906 354 326 A 48 VAL HB A 48 VAL HGx% 1.0 1.347 2.083 355 327 A 48 VAL H A 48 VAL HB 1.0 1.687 3.149 356 328 A 66 PRO HBy A 66 PRO HA 1.0 1.512 2.536 357 329 A 86 VAL HB A 86 VAL HA 1.0 1.610 6.000 358 330 A 86 VAL H A 86 VAL HB 1.0 1.436 2.316 359 331 A 86 VAL HB A 87 ALA H 1.0 1.549 2.655 360 332 A 41 LYS H A 41 LYS HBx 1.0 1.602 2.826 361 333 A 45 LYS H A 45 LYS HBy 1.0 1.506 2.516 362 334 A 4 VAL HGy% A 4 VAL HB 1.0 1.444 2.338 363 335 A 54 HIS HA A 53 VAL HB 1.0 1.557 6.000 364 336 A 53 VAL HB A 92 LYS HDy 1.0 1.638 2.960 365 337 A 62 GLU HB3 A 62 GLU HA 1.0 1.611 2.861 366 338 A 62 GLU H A 62 GLU HB2 1.0 1.711 3.247 367 339 A 52 LYS HBx A 62 GLU HB2 1.0 1.665 6.000 368 340 A 62 GLU HB2 A 52 LYS HBy 1.0 1.550 2.654 369 341 A 52 LYS HBx A 52 LYS HBy 1.0 1.298 1.964 370 342 A 52 LYS HBy A 52 LYS H 1.0 1.650 3.004 371 343 A 74 LYS HBy A 6 TYR HBx 1.0 1.718 3.280 372 344 A 88 LEU HA A 46 MET HE% 1.0 1.616 2.878 373 345 A 84 TRP HA A 1 MET HE% 1.0 1.585 2.769 374 346 A 26 ILE HD1% A 45 LYS HA 1.0 1.601 2.825 375 347 A 26 ILE HD1% A 27 LEU H 1.0 1.731 6.000 376 348 A 46 MET H A 26 ILE HD1% 1.0 1.693 3.169 377 349 A 26 ILE HD1% A 26 ILE H 1.0 1.741 3.379 378 350 A 44 ILE H A 44 ILE HD1% 1.0 1.712 6.000 379 351 A 44 ILE HD1% A 44 ILE HB 1.0 1.563 2.699 380 352 A 44 ILE HD1% A 44 ILE HG1x 1.0 1.376 2.156 381 353 A 64 ILE HG2% A 64 ILE H 1.0 1.629 2.925 382 354 A 63 LEU H A 64 ILE HG2% 1.0 1.777 6.000 383 355 A 64 ILE HG2% A 64 ILE HA 1.0 1.737 3.361 384 356 A 50 GLU HBy A 64 ILE HG2% 1.0 1.669 3.075 385 357 A 64 ILE HG2% A 64 ILE HB 1.0 1.403 2.227 386 358 A 64 ILE HG2% A 52 LYS HGx 1.0 1.623 2.903 387 359 A 64 ILE HG2% A 52 LYS HGy 1.0 1.680 3.118 388 360 A 45 LYS H A 65 ILE HG2% 1.0 1.815 6.000 389 361 A 65 ILE H A 65 ILE HG2% 1.0 1.758 3.460 390 362 A 65 ILE HG2% A 71 PHE HDx 1.0 1.746 3.402 391 362 A 65 ILE HG2% A 71 PHE HDy 1.0 1.746 3.402 392 363 A 71 PHE HBy A 65 ILE HG2% 1.0 1.790 6.000 393 364 A 69 GLN HBx A 65 ILE HG2% 1.0 1.685 3.143 394 365 A 65 ILE HB A 65 ILE HG2% 1.0 1.463 2.393 395 366 A 51 ILE HG2% A 89 GLY HAy 1.0 1.691 3.163 396 367 A 88 LEU HBy A 51 ILE HG2% 1.0 1.551 2.657 397 368 A 89 GLY H A 51 ILE HG2% 1.0 1.774 6.000 398 369 A 51 ILE HG2% A 46 MET HE% 1.0 1.330 2.040 399 370 A 46 MET HE% A 88 LEU HDx% 1.0 1.447 2.347 400 371 A 46 MET H A 46 MET HE% 1.0 1.768 6.000 401 372 A 1 MET HE% A 84 TRP H 1.0 1.768 3.506 402 373 A 1 MET HE% A 2 GLU H 1.0 1.687 3.145 403 374 A 1 MET HE% A 87 ALA H 1.0 1.778 6.000 404 375 A 84 TRP HD1 A 1 MET HE% 1.0 1.742 3.384 405 376 A 84 TRP HZ2 A 1 MET HE% 1.0 1.716 3.266 406 377 A 1 MET HE% A 83 ARG HBx 1.0 1.627 2.915 407 378 A 83 ARG HBy A 1 MET HE% 1.0 1.547 2.647 408 379 A 26 ILE HG2% A 26 ILE HB 1.0 1.380 2.166 409 380 A 26 ILE HG2% A 43 SER HBy 1.0 1.614 2.872 410 381 A 26 ILE HG2% A 43 SER HBx 1.0 1.553 2.667 411 382 A 26 ILE HG2% A 26 ILE H 1.0 1.675 6.000 412 383 A 26 ILE HG2% A 27 LEU H 1.0 1.500 2.498 413 384 A 51 ILE HD1% A 51 ILE HB 1.0 1.363 6.000 414 385 A 51 ILE HG1y A 51 ILE HD1% 1.0 1.517 2.551 415 386 A 61 MET HGy A 51 ILE HD1% 1.0 1.744 3.396 416 387 A 51 ILE HA A 51 ILE HD1% 1.0 1.760 3.468 417 388 A 51 ILE HD1% A 52 LYS H 1.0 1.576 2.742 418 389 A 62 GLU H A 51 ILE HD1% 1.0 1.740 3.374 419 390 A 51 ILE H A 51 ILE HD1% 1.0 1.639 6.000 420 391 A 80 GLU HBx A 79 ALA HB% 1.0 1.734 6.000 421 392 A 80 GLU HBy A 79 ALA HB% 1.0 1.727 6.000 422 393 A 79 ALA HB% A 79 ALA HA 1.0 1.330 2.040 423 394 A 79 ALA HB% A 77 ASN HD21 1.0 1.764 3.488 424 395 A 81 ARG H A 79 ALA HB% 1.0 1.762 6.000 425 396 A 82 GLN H A 79 ALA HB% 1.0 1.803 6.000 426 397 A 80 GLU H A 79 ALA HB% 1.0 1.477 2.433 427 398 A 79 ALA H A 79 ALA HB% 1.0 1.326 2.030 428 399 A 69 GLN HBy A 64 ILE HD1% 1.0 1.672 3.090 429 400 A 64 ILE HB A 64 ILE HD1% 1.0 1.413 6.000 430 401 A 64 ILE HA A 64 ILE HD1% 1.0 1.523 6.000 431 402 A 64 ILE HD1% A 64 ILE H 1.0 1.710 6.000 432 403 A 70 HIS H A 64 ILE HD1% 1.0 1.790 3.616 433 404 A 65 ILE H A 64 ILE HD1% 1.0 1.553 2.665 434 405 A 65 ILE HD1% A 66 PRO HDy 1.0 1.618 2.884 435 406 A 65 ILE HD1% A 68 GLU HGy 1.0 1.546 6.000 436 407 A 68 GLU HGx A 65 ILE HD1% 1.0 1.620 6.000 437 408 A 65 ILE HB A 65 ILE HD1% 1.0 1.360 6.000 438 409 A 65 ILE H A 65 ILE HD1% 1.0 1.716 6.000 439 410 A 68 GLU H A 65 ILE HD1% 1.0 1.818 3.768 440 411 A 69 GLN H A 65 ILE HD1% 1.0 1.756 6.000 441 412 A 69 GLN HBx A 64 ILE HD1% 1.0 1.648 2.996 442 413 A 84 TRP HE3 A 73 MET HE% 1.0 1.692 6.000 443 414 A 20 PHE HDy A 73 MET HE% 1.0 1.749 3.419 444 414 A 20 PHE HDx A 73 MET HE% 1.0 1.749 3.419 445 415 A 20 PHE HEy A 73 MET HE% 1.0 1.699 6.000 446 415 A 20 PHE HEx A 73 MET HE% 1.0 1.699 6.000 447 416 A 27 LEU HDx% A 73 MET HE% 1.0 1.374 2.148 448 417 A 5 LEU HG A 73 MET HE% 1.0 1.422 2.278 449 418 A 73 MET HGy A 73 MET HE% 1.0 1.526 2.582 450 419 A 5 LEU HDy% A 73 MET HE% 1.0 1.389 2.189 451 420 A 64 ILE HD1% A 66 PRO HDx 1.0 1.806 3.700 452 421 A 65 ILE HD1% A 66 PRO HDx 1.0 1.686 3.142 453 422 A 44 ILE HA A 44 ILE HG2% 1.0 1.551 2.659 454 423 A 27 LEU HBx A 44 ILE HG2% 1.0 1.672 3.088 455 424 A 44 ILE HD1% A 44 ILE HG2% 1.0 1.492 2.476 456 425 A 44 ILE HB A 44 ILE HG2% 1.0 1.444 2.338 457 426 A 45 LYS H A 44 ILE HG2% 1.0 1.573 2.733 458 427 A 78 ALA HA A 78 ALA HB% 1.0 1.375 2.153 459 428 A 78 ALA H A 78 ALA HB% 1.0 1.409 2.241 460 429 A 79 ALA H A 78 ALA HB% 1.0 1.495 2.485 461 430 A 45 LYS HBy A 48 VAL HGy% 1.0 1.544 2.638 462 431 A 45 LYS HBx A 48 VAL HGy% 1.0 1.543 6.000 463 432 A 48 VAL HGx% A 66 PRO HDy 1.0 1.768 3.506 464 433 A 49 CYS H A 48 VAL HGy% 1.0 1.660 3.040 465 434 A 48 VAL H A 48 VAL HGy% 1.0 1.415 2.257 466 435 A 45 LYS H A 48 VAL HGy% 1.0 1.733 3.343 467 436 A 93 ALA H A 93 ALA HB% 1.0 1.380 2.164 468 437 A 93 ALA HB% A 94 SER H 1.0 1.523 6.000 469 438 A 93 ALA HB% A 93 ALA HA 1.0 1.422 2.278 470 439 A 45 LYS HBy A 44 ILE HG2% 1.0 1.680 6.000 471 440 A 87 ALA HA A 87 ALA HB% 1.0 1.360 2.116 472 441 A 87 ALA HB% A 88 LEU HG 1.0 1.723 3.303 473 442 A 87 ALA HB% A 86 VAL HB 1.0 1.760 6.000 474 443 A 22 LEU HBx A 87 ALA HB% 1.0 1.679 3.115 475 444 A 87 ALA HB% A 22 LEU HG 1.0 1.453 2.361 476 445 A 87 ALA HB% A 87 ALA H 1.0 1.429 2.295 477 446 A 87 ALA HB% A 88 LEU H 1.0 1.560 2.686 478 447 A 47 ALA HB% A 47 ALA HA 1.0 1.351 2.093 479 448 A 48 VAL H A 47 ALA HB% 1.0 1.563 6.000 480 449 A 47 ALA H A 47 ALA HB% 1.0 1.353 6.000 481 450 A 56 ALA H A 56 ALA HB% 1.0 1.472 6.000 482 451 A 86 VAL HGx% A 87 ALA HA 1.0 1.671 3.083 483 452 A 81 ARG HA A 75 ALA HB% 1.0 1.579 2.751 484 453 A 77 ASN H A 75 ALA HB% 1.0 1.512 6.000 485 454 A 81 ARG H A 75 ALA HB% 1.0 1.573 2.733 486 455 A 75 ALA H A 75 ALA HB% 1.0 1.492 2.476 487 456 A 76 VAL H A 75 ALA HB% 1.0 1.501 2.503 488 457 A 75 ALA HB% A 5 LEU HDx% 1.0 1.499 2.499 489 458 A 16 GLN HBy A 9 THR HG2% 1.0 1.593 2.795 490 459 A 21 VAL HGy% A 23 ASP HBx 1.0 1.549 6.000 491 460 A 13 THR HB A 13 THR HG2% 1.0 1.347 2.083 492 461 A 13 THR H A 13 THR HG2% 1.0 1.559 2.683 493 462 A 13 THR HG2% A 16 GLN HE21 1.0 1.739 3.369 494 463 A 21 VAL HGx% A 2 GLU HBy 1.0 1.666 3.064 495 464 A 21 VAL HGx% A 2 GLU HBx 1.0 1.618 2.886 496 465 A 19 TRP HZ2 A 21 VAL HGx% 1.0 1.630 6.000 497 466 A 19 TRP HE1 A 36 VAL HGy% 1.0 1.617 2.883 498 467 A 36 VAL H A 36 VAL HGy% 1.0 1.426 2.290 499 468 A 19 TRP HD1 A 36 VAL HGy% 1.0 1.626 2.914 500 469 A 33 GLN HA A 36 VAL HGy% 1.0 1.573 2.731 501 470 A 36 VAL HGy% A 30 TYR HBx 1.0 1.825 3.807 502 471 A 4 VAL HGy% A 3 GLY HAy 1.0 1.782 3.576 503 472 A 19 TRP HE3 A 4 VAL HGy% 1.0 1.496 2.486 504 473 A 19 TRP HZ3 A 4 VAL HGy% 1.0 1.514 6.000 505 474 A 86 VAL H A 86 VAL HGy% 1.0 1.392 2.196 506 475 A 86 VAL HGy% A 82 GLN HE22 1.0 1.729 3.329 507 476 A 96 THR H A 95 LEU HDx% 1.0 1.683 3.133 508 477 A -4 GLY H A -5 LEU HDy% 1.0 1.798 3.662 509 478 A 5 LEU HBx A 5 LEU HDy% 1.0 1.587 2.775 510 479 A 5 LEU HDx% A 5 LEU HBy 1.0 1.641 2.969 511 480 A 84 TRP HD1 A 5 LEU HDx% 1.0 1.675 3.099 512 481 A 5 LEU HDx% A 6 TYR H 1.0 1.697 3.187 513 482 A 5 LEU HDx% A 5 LEU HA 1.0 1.532 2.596 514 483 A 76 VAL H A 5 LEU HDx% 1.0 1.715 6.000 515 484 A -5 LEU HA A -5 LEU HDy% 1.0 1.646 2.988 516 485 A 85 LEU HDx% A 85 LEU HA 1.0 1.387 2.183 517 486 A 88 LEU HDx% A 46 MET HGy 1.0 1.750 3.424 518 487 A 88 LEU HA A 88 LEU HDx% 1.0 1.444 2.340 519 488 A 63 LEU HDx% A 46 MET HE% 1.0 1.529 2.589 520 489 A 63 LEU HDy% A 73 MET HGx 1.0 1.702 3.212 521 490 A 63 LEU HDy% A 62 GLU HA 1.0 1.830 3.840 522 491 A 63 LEU H A 63 LEU HDy% 1.0 1.760 3.470 523 492 A 62 GLU H A 63 LEU HDy% 1.0 1.685 6.000 524 493 A 22 LEU HBx A 27 LEU HDy% 1.0 1.652 3.014 525 494 A 27 LEU HDy% A 27 LEU HA 1.0 1.565 2.705 526 495 A 27 LEU HDy% A 22 LEU HA 1.0 1.680 3.122 527 496 A 20 PHE HDy A 27 LEU HDx% 1.0 1.641 2.971 528 496 A 20 PHE HDx A 27 LEU HDx% 1.0 1.641 2.971 529 497 A 84 TRP HZ3 A 27 LEU HDy% 1.0 1.561 2.691 530 498 A 84 TRP HE3 A 27 LEU HDy% 1.0 1.725 3.309 531 499 A 27 LEU HDy% A 28 SER H 1.0 1.692 3.172 532 500 A 27 LEU HDy% A 21 VAL H 1.0 1.751 3.429 533 501 A 92 LYS HGx A 92 LYS HEy 1.0 1.703 3.215 534 502 A 92 LYS HGx A 92 LYS HA 1.0 1.668 3.074 535 503 A 48 VAL H A 45 LYS HGx 1.0 1.825 3.805 536 504 A 95 LEU HDy% A 47 ALA HA 1.0 1.610 2.854 537 505 A 95 LEU HDy% A 92 LYS HA 1.0 1.654 3.018 538 506 A 95 LEU HBy A 95 LEU HDy% 1.0 1.505 2.513 539 507 A 38 LYS HDy A 38 LYS HDx 1.0 1.305 1.977 540 508 A 85 LEU HDx% A 88 LEU HBx 1.0 1.465 6.000 541 509 A 84 TRP HD1 A 85 LEU HDx% 1.0 1.727 6.000 542 510 A 5 LEU HG A 5 LEU HDx% 1.0 1.595 2.803 543 511 A 88 LEU HDy% A 88 LEU HG 1.0 1.630 2.930 544 512 A 88 LEU HG A 88 LEU HDx% 1.0 1.643 2.977 545 513 A 84 TRP HE3 A 88 LEU HG 1.0 1.746 3.402 546 514 A 22 LEU HG A 27 LEU HG 1.0 1.448 6.000 547 515 A 88 LEU HG A 22 LEU HG 1.0 1.734 3.350 548 516 A 22 LEU HG A 46 MET HGy 1.0 1.776 6.000 549 517 A 87 ALA HA A 22 LEU HG 1.0 1.730 6.000 550 518 A 66 PRO HBx A 66 PRO HGx 1.0 1.574 2.734 551 519 A 66 PRO HDy A 66 PRO HGx 1.0 1.586 2.776 552 520 A 84 TRP HBx A 84 TRP H 1.0 1.656 3.026 553 521 A 50 GLU HBy A 52 LYS HD3 1.0 1.733 3.343 554 522 A 53 VAL H A 52 LYS HD2 1.0 1.768 6.000 555 523 A 38 LYS H A 38 LYS HGy 1.0 1.768 3.508 556 524 A 83 ARG H A 83 ARG HBx 1.0 1.596 2.808 557 525 A 83 ARG HBx A 84 TRP H 1.0 1.731 3.337 558 526 A 69 GLN H A 68 GLU HBx 1.0 1.613 2.867 559 527 A 66 PRO HBx A 66 PRO HDy 1.0 1.623 2.901 560 528 A 76 VAL H A 76 VAL HB 1.0 1.531 2.597 561 529 A 77 ASN H A 76 VAL HB 1.0 1.685 3.141 562 530 A 41 LYS HBx A 41 LYS HDx 1.0 1.552 2.662 563 531 A 41 LYS HDy A 41 LYS HBx 1.0 1.618 2.886 564 532 A 4 VAL H A 4 VAL HB 1.0 1.498 6.000 565 533 A 17 PRO HBy A 4 VAL HB 1.0 1.702 3.210 566 534 A 92 LYS HGy A 53 VAL HB 1.0 1.683 6.000 567 535 A 54 HIS H A 53 VAL HB 1.0 1.766 6.000 568 536 A 92 LYS H A 53 VAL HB 1.0 1.685 6.000 569 537 A 53 VAL H A 53 VAL HB 1.0 1.572 2.728 570 538 A 16 GLN HGx A 16 GLN HGy 1.0 1.346 2.080 571 539 A 69 GLN HE22 A 69 GLN HG3 1.0 1.594 2.800 572 540 A 60 ARG HBx A 60 ARG HBy 1.0 1.588 2.782 573 541 A 68 GLU H A 68 GLU HGy 1.0 1.729 3.327 574 542 A 30 TYR HEy A 21 VAL HB 1.0 1.682 6.000 575 542 A 30 TYR HEx A 21 VAL HB 1.0 1.682 6.000 576 543 A 21 VAL HB A 21 VAL H 1.0 1.731 6.000 577 544 A 7 LYS HBx A 7 LYS HBy 1.0 1.509 2.525 578 545 A 11 TYR HDy A 11 TYR HB3 1.0 1.783 3.583 579 545 A 11 TYR HDx A 11 TYR HB3 1.0 1.783 3.583 580 546 A 73 MET HBy A 73 MET H 1.0 1.763 3.485 581 547 A 74 LYS H A 73 MET HBx 1.0 1.784 3.590 582 548 A 26 ILE HG1y A 26 ILE HB 1.0 1.606 2.842 583 549 A 26 ILE HG1x A 26 ILE HB 1.0 1.635 2.947 584 550 A 26 ILE HB A 26 ILE H 1.0 1.589 2.785 585 551 A 51 ILE HG2% A 51 ILE HB 1.0 1.407 2.239 586 552 A 64 ILE HB A 64 ILE HG1y 1.0 1.718 3.278 587 553 A 51 ILE HG1y A 51 ILE HB 1.0 1.611 6.000 588 554 A 46 MET HE% A 51 ILE HB 1.0 1.600 2.824 589 555 A 51 ILE H A 51 ILE HB 1.0 1.577 6.000 590 556 A 64 ILE HB A 64 ILE H 1.0 1.666 6.000 591 557 A 70 HIS H A 64 ILE HB 1.0 1.776 6.000 592 558 A 65 ILE HG1x A 65 ILE HB 1.0 1.713 3.255 593 559 A 65 ILE HB A 65 ILE HG1y 1.0 1.669 3.079 594 560 A 65 ILE HB A 68 GLU HBx 1.0 1.730 6.000 595 561 A 65 ILE HB A 66 PRO HDy 1.0 1.743 6.000 596 562 A 65 ILE H A 65 ILE HB 1.0 1.681 6.000 597 563 A 69 GLN H A 65 ILE HB 1.0 1.752 6.000 598 564 A 35 ASP H A 34 ASP HBy 1.0 1.779 3.563 599 565 A 57 ASP HBx A 57 ASP HBy 1.0 1.516 2.550 600 566 A 85 LEU HBy A 85 LEU H 1.0 1.632 2.938 601 567 A 12 LEU HBy A 13 THR HG2% 1.0 1.723 3.301 602 568 A 12 LEU HBy A 13 THR H 1.0 1.678 3.114 603 569 A 88 LEU HBy A 88 LEU HDx% 1.0 1.721 3.289 604 570 A 88 LEU HBx A 88 LEU H 1.0 1.678 3.114 605 571 A 44 ILE HG1y A 44 ILE HB 1.0 1.608 2.852 606 572 A 27 LEU HBx A 44 ILE HB 1.0 1.585 2.771 607 573 A 44 ILE HB A 44 ILE HA 1.0 1.699 3.199 608 574 A 44 ILE H A 44 ILE HB 1.0 1.600 2.822 609 575 A 20 PHE HBx A 27 LEU HDy% 1.0 1.742 3.382 610 576 A 27 LEU HDy% A 27 LEU HBy 1.0 1.733 3.345 611 577 A 19 TRP HH2 A 3 GLY HAy 1.0 1.769 3.511 612 578 A 84 TRP HZ3 A 22 LEU HBx 1.0 1.775 3.539 613 579 A 25 GLY HAy A 25 GLY HAx 1.0 1.443 2.337 614 580 A 5 LEU HBy A 6 TYR H 1.0 1.811 3.727 615 581 A 66 PRO HDx A 66 PRO HGy 1.0 1.614 2.870 616 582 A 66 PRO HDy A 48 VAL HGy% 1.0 1.775 3.543 617 583 A 77 ASN HA A 59 THR HG2% 1.0 1.588 2.782 618 584 A 77 ASN HBy A 77 ASN HA 1.0 1.493 2.479 619 585 A 11 TYR H A 10 ASN HA 1.0 1.643 2.977 620 586 A 77 ASN H A 77 ASN HA 1.0 1.681 3.125 621 587 A 78 ALA H A 77 ASN HA 1.0 1.524 2.574 622 588 A 8 TRP HE1 A 10 ASN HA 1.0 1.757 3.455 623 589 A 77 ASN HA A 77 ASN HBx 1.0 1.595 2.805 624 590 A 16 GLN H A 16 GLN HA 1.0 1.738 3.364 625 591 A 16 GLN HA A 16 GLN HBx 1.0 1.589 2.783 626 592 A 16 GLN HBy A 16 GLN HA 1.0 1.698 3.196 627 593 A 16 GLN HGy A 16 GLN HA 1.0 1.716 3.270 628 594 A 22 LEU HA A 27 LEU HA 1.0 1.698 3.194 629 595 A 22 LEU HBx A 22 LEU HA 1.0 1.796 3.648 630 596 A 22 LEU HA A 22 LEU HBy 1.0 1.769 3.513 631 597 A 22 LEU HA A 23 ASP H 1.0 1.565 2.701 632 598 A 27 LEU HA A 28 SER H 1.0 1.589 2.783 633 599 A 27 LEU HA A 27 LEU HBy 1.0 1.707 3.235 634 600 A 26 ILE HG2% A 27 LEU HA 1.0 1.716 6.000 635 601 A 2 GLU HA A 2 GLU HBy 1.0 1.658 3.036 636 602 A 2 GLU HA A 2 GLU HBx 1.0 1.642 2.976 637 603 A 56 ALA HB% A 56 ALA HA 1.0 1.439 2.323 638 604 A 84 TRP HZ3 A 2 GLU HA 1.0 1.705 6.000 639 605 A 3 GLY H A 2 GLU HA 1.0 1.567 2.711 640 606 A 2 GLU HA A 2 GLU H 1.0 1.762 3.480 641 607 A 94 SER H A 93 ALA HA 1.0 1.511 2.531 642 608 A 56 ALA H A 56 ALA HA 1.0 1.772 3.524 643 609 A 93 ALA H A 93 ALA HA 1.0 1.584 2.766 644 610 A 63 LEU HBy A 63 LEU HA 1.0 1.676 3.104 645 611 A 63 LEU HBx A 63 LEU HA 1.0 1.675 3.101 646 612 A 63 LEU HDy% A 63 LEU HA 1.0 1.593 2.797 647 613 A 63 LEU H A 63 LEU HA 1.0 1.706 3.226 648 614 A 63 LEU HA A 64 ILE H 1.0 1.519 2.555 649 615 A 23 ASP HBx A 23 ASP HA 1.0 1.569 2.719 650 616 A 24 ASN H A 23 ASP HA 1.0 1.481 2.445 651 617 A 23 ASP HA A 23 ASP H 1.0 1.753 3.435 652 618 A 72 TYR HA A 62 GLU HA 1.0 1.729 3.329 653 619 A 7 LYS HA A 8 TRP H 1.0 1.608 2.850 654 620 A 7 LYS HA A 73 MET HA 1.0 1.741 6.000 655 621 A 7 LYS HBx A 7 LYS HA 1.0 1.757 3.457 656 622 A 7 LYS HA A 7 LYS HDx 1.0 1.765 3.491 657 623 A 7 LYS HA A 7 LYS HBy 1.0 1.708 3.234 658 624 A 73 MET HA A 73 MET HBx 1.0 1.661 3.047 659 625 A 73 MET HA A 73 MET HBy 1.0 1.734 3.350 660 626 A 73 MET HA A 73 MET HGx 1.0 1.781 3.571 661 627 A 73 MET HGy A 73 MET HA 1.0 1.754 3.440 662 628 A 74 LYS H A 73 MET HA 1.0 1.591 2.789 663 629 A 62 GLU H A 62 GLU HA 1.0 1.741 3.381 664 630 A 63 LEU H A 62 GLU HA 1.0 1.517 2.553 665 631 A 58 ASN HBx A 58 ASN HA 1.0 1.627 6.000 666 632 A 58 ASN HBy A 58 ASN HA 1.0 1.654 3.018 667 633 A 5 LEU HBy A 5 LEU HA 1.0 1.679 3.115 668 634 A 5 LEU HG A 5 LEU HA 1.0 1.721 6.000 669 635 A 5 LEU HBx A 5 LEU HA 1.0 1.726 3.314 670 636 A 5 LEU HA A 5 LEU H 1.0 1.791 3.619 671 637 A 5 LEU HA A 6 TYR H 1.0 1.564 2.700 672 638 A 24 ASN HBx A 24 ASN HA 1.0 1.560 2.688 673 639 A 24 ASN HBy A 24 ASN HA 1.0 1.570 6.000 674 640 A 25 GLY H A 24 ASN HA 1.0 1.590 2.790 675 641 A 24 ASN H A 24 ASN HA 1.0 1.475 2.427 676 642 A 30 TYR H A 29 TYR HA 1.0 1.601 2.827 677 643 A 29 TYR HBx A 29 TYR HA 1.0 1.669 3.077 678 644 A 29 TYR HBy A 29 TYR HA 1.0 1.682 3.126 679 645 A 1 MET HBx A 1 MET HA 1.0 1.605 2.839 680 646 A 1 MET H A 1 MET HA 1.0 1.673 3.091 681 647 A 2 GLU H A 1 MET HA 1.0 1.477 2.433 682 648 A 79 ALA H A 79 ALA HA 1.0 1.501 6.000 683 649 A 47 ALA H A 47 ALA HA 1.0 1.565 6.000 684 650 A 48 VAL H A 47 ALA HA 1.0 1.715 6.000 685 651 A 78 ALA H A 78 ALA HA 1.0 1.623 2.903 686 652 A 82 GLN H A 79 ALA HA 1.0 1.747 3.409 687 653 A 81 ARG H A 78 ALA HA 1.0 1.720 6.000 688 654 A 41 LYS HA A 42 GLY H 1.0 1.745 3.399 689 655 A 81 ARG HBy A 78 ALA HA 1.0 1.681 3.123 690 656 A 41 LYS HA A 41 LYS HBx 1.0 1.641 2.971 691 657 A 95 LEU HA A 95 LEU HDx% 1.0 1.489 2.465 692 658 A 95 LEU HBy A 95 LEU HA 1.0 1.488 6.000 693 659 A 95 LEU H A 95 LEU HA 1.0 1.448 6.000 694 660 A -5 LEU HA A -5 LEU HBy 1.0 1.597 2.811 695 661 A -4 GLY H A -5 LEU HA 1.0 1.488 2.466 696 662 A 87 ALA HA A 87 ALA H 1.0 1.615 2.875 697 663 A 53 VAL HGx% A 61 MET HA 1.0 1.742 6.000 698 664 A 61 MET HA A 53 VAL HA 1.0 1.755 6.000 699 665 A 62 GLU H A 61 MET HA 1.0 1.506 2.516 700 666 A 34 ASP H A 34 ASP HA 1.0 1.562 6.000 701 667 A 69 GLN HA A 69 GLN H 1.0 1.661 3.045 702 668 A 69 GLN HA A 69 GLN HBx 1.0 1.590 2.788 703 669 A 69 GLN HA A 69 GLN HBy 1.0 1.603 2.833 704 670 A 46 MET HA A 46 MET HE% 1.0 1.567 2.713 705 671 A 46 MET HA A 44 ILE HG2% 1.0 1.769 3.513 706 672 A 46 MET H A 46 MET HA 1.0 1.743 3.389 707 673 A 35 ASP H A 34 ASP HA 1.0 1.749 3.413 708 674 A 34 ASP HBx A 34 ASP HA 1.0 1.474 2.422 709 675 A 34 ASP HBy A 34 ASP HA 1.0 1.571 6.000 710 676 A 99 ARG HA A 99 ARG HBx 1.0 1.506 2.518 711 677 A 45 LYS HBx A 45 LYS HA 1.0 1.630 2.928 712 678 A 68 GLU HBx A 68 GLU HA 1.0 1.536 6.000 713 679 A 68 GLU HBy A 68 GLU HA 1.0 1.597 2.813 714 680 A 4 VAL HGy% A 19 TRP HA 1.0 1.679 3.115 715 681 A 19 TRP HA A 20 PHE HBy 1.0 1.739 6.000 716 682 A 69 GLN H A 68 GLU HA 1.0 1.728 6.000 717 683 A 68 GLU H A 68 GLU HA 1.0 1.597 6.000 718 684 A 100 THR H A 99 ARG HA 1.0 1.558 2.682 719 685 A 46 MET H A 45 LYS HA 1.0 1.503 2.509 720 686 A 45 LYS H A 45 LYS HA 1.0 1.752 3.430 721 687 A 12 LEU HBy A 12 LEU HA 1.0 1.574 6.000 722 688 A 12 LEU HBx A 12 LEU HA 1.0 1.528 2.588 723 689 A 20 PHE HA A 20 PHE HBy 1.0 1.748 3.412 724 690 A 20 PHE HA A 20 PHE HBx 1.0 1.756 3.446 725 691 A 38 LYS HA A 38 LYS HDy 1.0 1.563 2.699 726 692 A 38 LYS HA A 38 LYS HDx 1.0 1.683 3.133 727 693 A 38 LYS HA A 38 LYS HGx 1.0 1.727 6.000 728 694 A 20 PHE HA A 29 TYR HA 1.0 1.682 3.130 729 695 A 29 TYR H A 28 SER HA 1.0 1.578 2.746 730 696 A 12 LEU H A 12 LEU HA 1.0 1.625 2.911 731 697 A 13 THR H A 12 LEU HA 1.0 1.768 3.506 732 698 A -1 GLU H A -1 GLU HA 1.0 1.676 3.102 733 699 A 38 LYS HA A 38 LYS H 1.0 1.574 2.732 734 700 A 33 GLN H A 32 SER HA 1.0 1.551 2.659 735 701 A 20 PHE HA A 21 VAL H 1.0 1.521 2.565 736 702 A 12 LEU HA A 12 LEU HG 1.0 1.788 3.604 737 703 A 33 GLN HBx A 32 SER HA 1.0 1.797 6.000 738 704 A 0 PHE H A -1 GLU HA 1.0 1.453 2.363 739 705 A -1 GLU HA A -1 GLU HGx 1.0 1.660 3.040 740 706 A -1 GLU HA A -6 PRO HBy 1.0 1.668 3.074 741 707 A 72 TYR HA A 73 MET H 1.0 1.532 2.598 742 708 A 28 SER HA A 28 SER H 1.0 1.792 3.628 743 709 A 43 SER HBx A 28 SER HA 1.0 1.746 3.406 744 710 A 28 SER HBy A 28 SER HA 1.0 1.706 3.224 745 711 A 28 SER HA A 28 SER HBx 1.0 1.770 3.516 746 712 A 72 TYR HBy A 72 TYR HA 1.0 1.689 3.155 747 713 A 44 ILE H A 28 SER HA 1.0 1.723 3.301 748 714 A 43 SER HA A 43 SER HBx 1.0 1.667 3.067 749 715 A 43 SER HA A 43 SER HBy 1.0 1.712 3.250 750 716 A 43 SER HA A 44 ILE H 1.0 1.524 2.572 751 717 A 6 TYR HA A 7 LYS H 1.0 1.593 2.799 752 718 A 6 TYR HA A 18 ARG H 1.0 1.746 6.000 753 719 A 17 PRO HA A 6 TYR HA 1.0 1.648 2.996 754 720 A 6 TYR HA A 6 TYR HBy 1.0 1.723 3.299 755 721 A 40 SER HA A 41 LYS H 1.0 1.522 2.568 756 722 A 33 GLN HA A 33 GLN H 1.0 1.650 3.000 757 723 A 93 ALA H A 92 LYS HA 1.0 1.641 6.000 758 724 A 92 LYS H A 92 LYS HA 1.0 1.594 2.804 759 725 A 88 LEU HA A 88 LEU H 1.0 1.712 3.254 760 726 A 95 LEU H A 92 LYS HA 1.0 1.788 6.000 761 727 A 92 LYS HBx A 92 LYS HA 1.0 1.614 2.870 762 728 A 92 LYS HBy A 92 LYS HA 1.0 1.530 2.594 763 729 A 88 LEU HBy A 88 LEU HA 1.0 1.616 2.876 764 730 A 88 LEU HA A 88 LEU HBx 1.0 1.644 2.980 765 731 A 88 LEU HG A 88 LEU HA 1.0 1.782 3.578 766 732 A 54 HIS HA A 54 HIS HBy 1.0 1.701 3.209 767 733 A 31 ASP HA A 18 ARG HDy 1.0 1.760 3.472 768 734 A 54 HIS HA A 54 HIS HBx 1.0 1.779 3.561 769 735 A 31 ASP HA A 18 ARG HDx 1.0 1.835 3.869 770 736 A 33 GLN HA A 33 GLN HBx 1.0 1.611 2.859 771 737 A 33 GLN HA A 33 GLN HGx 1.0 1.680 3.118 772 738 A 33 GLN HA A 33 GLN HBy 1.0 1.681 3.125 773 739 A 33 GLN HA A 33 GLN HGy 1.0 1.799 3.665 774 740 A 85 LEU HBx A 85 LEU HA 1.0 1.580 2.754 775 741 A 86 VAL H A 85 LEU HA 1.0 1.772 3.526 776 742 A 85 LEU HA A 85 LEU H 1.0 1.655 3.019 777 743 A 85 LEU HDy% A 82 GLN HA 1.0 1.596 2.806 778 744 A 85 LEU HBy A 82 GLN HA 1.0 1.609 2.853 779 745 A 85 LEU HBx A 82 GLN HA 1.0 1.689 3.157 780 746 A 83 ARG H A 82 GLN HA 1.0 1.778 3.556 781 747 A 82 GLN H A 82 GLN HA 1.0 1.600 2.824 782 748 A 82 GLN HA A 85 LEU H 1.0 1.727 3.317 783 749 A 80 GLU HBx A 80 GLU HA 1.0 1.597 2.813 784 750 A 80 GLU HBy A 80 GLU HA 1.0 1.637 2.957 785 751 A 83 ARG HBx A 80 GLU HA 1.0 1.702 3.210 786 752 A 83 ARG HGy A 80 GLU HA 1.0 1.666 3.068 787 753 A 83 ARG H A 80 GLU HA 1.0 1.727 3.319 788 754 A 81 ARG H A 80 GLU HA 1.0 1.766 3.496 789 755 A 80 GLU H A 80 GLU HA 1.0 1.629 2.923 790 756 A 37 CYS H A 37 CYS HA 1.0 1.602 2.830 791 757 A 38 LYS H A 37 CYS HA 1.0 1.749 6.000 792 758 A 94 SER HA A 94 SER H 1.0 1.401 2.219 793 759 A 36 VAL HGx% A 37 CYS HA 1.0 1.721 3.293 794 760 A 48 VAL HA A 48 VAL HB 1.0 1.507 2.521 795 761 A 48 VAL HA A 48 VAL HGx% 1.0 1.536 2.612 796 762 A 48 VAL H A 48 VAL HA 1.0 1.722 3.296 797 763 A 83 ARG HBx A 83 ARG HA 1.0 1.569 6.000 798 764 A 86 VAL HB A 83 ARG HA 1.0 1.716 3.268 799 765 A 83 ARG HGx A 83 ARG HA 1.0 1.636 2.952 800 766 A 86 VAL HGy% A 83 ARG HA 1.0 1.763 3.483 801 767 A 83 ARG HA A 84 TRP H 1.0 1.789 3.617 802 768 A 86 VAL H A 83 ARG HA 1.0 1.771 3.525 803 769 A 83 ARG H A 83 ARG HA 1.0 1.567 6.000 804 770 A 44 ILE HG1y A 44 ILE HA 1.0 1.679 3.115 805 771 A 45 LYS H A 44 ILE HA 1.0 1.411 2.249 806 772 A 44 ILE H A 44 ILE HA 1.0 1.739 3.367 807 773 A 90 SER H A 90 SER HA 1.0 1.545 6.000 808 774 A 64 ILE HA A 64 ILE HG1x 1.0 1.761 3.473 809 775 A 8 TRP HZ2 A 11 TYR HA 1.0 1.623 2.903 810 776 A 8 TRP HH2 A 11 TYR HA 1.0 1.753 3.433 811 777 A 93 ALA H A 90 SER HA 1.0 1.757 6.000 812 778 A 65 ILE H A 64 ILE HA 1.0 1.488 2.466 813 779 A 11 TYR H A 11 TYR HA 1.0 1.683 3.133 814 780 A 61 MET HE% A 81 ARG HA 1.0 1.601 2.827 815 781 A 84 TRP HBx A 81 ARG HA 1.0 1.807 3.709 816 782 A 93 ALA HB% A 90 SER HA 1.0 1.616 2.880 817 783 A 9 THR H A 9 THR HA 1.0 1.754 3.438 818 784 A 88 LEU HDy% A 84 TRP HA 1.0 1.716 3.270 819 785 A 98 THR HA A 98 THR HG2% 1.0 1.611 2.859 820 786 A 59 THR HA A 75 ALA HB% 1.0 1.681 3.125 821 787 A 59 THR HA A 81 ARG HBx 1.0 1.660 3.044 822 788 A 53 VAL HB A 53 VAL HA 1.0 1.627 6.000 823 789 A 54 HIS H A 53 VAL HA 1.0 1.582 2.758 824 790 A 53 VAL H A 53 VAL HA 1.0 1.729 3.327 825 791 A 13 THR H A 13 THR HA 1.0 1.570 6.000 826 792 A 13 THR HG2% A 13 THR HA 1.0 1.422 2.278 827 793 A 4 VAL HGx% A 4 VAL HA 1.0 1.584 6.000 828 794 A 4 VAL HA A 5 LEU H 1.0 1.575 2.737 829 795 A 17 PRO HA A 18 ARG H 1.0 1.507 2.523 830 796 A -5 LEU H A -6 PRO HA 1.0 1.481 2.445 831 797 A 17 PRO HA A 7 LYS H 1.0 1.771 3.523 832 798 A -6 PRO HA A -6 PRO HBx 1.0 1.703 3.213 833 799 A -6 PRO HBy A -6 PRO HA 1.0 1.490 2.470 834 800 A -1 GLU H A -2 PRO HA 1.0 1.636 2.950 835 801 A -2 PRO HA A -2 PRO HBx 1.0 1.686 3.146 836 802 A 40 SER HBx A 42 GLY H 1.0 1.668 3.070 837 803 A 40 SER HBx A 41 LYS H 1.0 1.679 3.115 838 804 A 66 PRO HBx A 66 PRO HA 1.0 1.516 6.000 839 805 A 66 PRO HA A 66 PRO HGy 1.0 1.722 3.296 840 806 A 66 PRO HA A 64 ILE HD1% 1.0 1.774 3.540 841 807 A 68 GLU H A 66 PRO HA 1.0 1.713 6.000 842 808 A 67 GLY H A 66 PRO HA 1.0 1.466 2.402 843 809 A 76 VAL H A 76 VAL HA 1.0 1.548 6.000 844 810 A 77 ASN H A 76 VAL HA 1.0 1.704 6.000 845 811 A 76 VAL HB A 76 VAL HA 1.0 1.462 6.000 846 812 A 36 VAL HA A 36 VAL H 1.0 1.645 2.987 847 813 A 36 VAL HA A 30 TYR HEy 1.0 1.712 3.250 848 813 A 36 VAL HA A 30 TYR HEx 1.0 1.712 3.250 849 814 A 36 VAL HA A 37 CYS H 1.0 1.795 3.643 850 815 A 36 VAL HA A 36 VAL HGx% 1.0 1.534 2.602 851 816 A 36 VAL HA A 36 VAL HGy% 1.0 1.548 2.648 852 817 A 28 SER HBx A 28 SER H 1.0 1.761 3.475 853 818 A 44 ILE H A 43 SER HBx 1.0 1.642 2.972 854 819 A 86 VAL H A 86 VAL HA 1.0 1.552 6.000 855 820 A 86 VAL HA A 87 ALA H 1.0 1.783 3.585 856 821 A 9 THR HG2% A 9 THR HB 1.0 1.432 2.306 857 822 A 13 THR HB A 16 GLN HGy 1.0 1.796 3.652 858 823 A 13 THR H A 13 THR HB 1.0 1.656 6.000 859 824 A 13 THR HB A 16 GLN HE21 1.0 1.672 3.090 860 825 A 97 ASP H A 96 THR HB 1.0 1.658 3.032 861 826 A 96 THR H A 96 THR HB 1.0 1.605 6.000 862 827 A 98 THR H A 98 THR HB 1.0 1.711 6.000 863 828 A 75 ALA H A 59 THR HB 1.0 1.648 2.996 864 829 A 75 ALA HB% A 59 THR HB 1.0 1.715 3.265 865 830 A 100 THR HG2% A 100 THR HB 1.0 1.620 2.894 866 831 A 84 TRP HE1 A 1 MET HE% 1.0 1.643 2.977 867 832 A 84 TRP HZ3 A 73 MET HE% 1.0 1.805 3.699 868 833 A 74 LYS HBx A 6 TYR HBx 1.0 1.784 3.586 869 834 A 96 THR HA A 96 THR H 1.0 1.554 6.000 870 835 A 81 ARG H A 81 ARG HA 1.0 1.658 3.034 871 836 A 84 TRP HD1 A 81 ARG HA 1.0 1.750 3.418 872 837 A 84 TRP HZ2 A 3 GLY HAx 1.0 1.817 3.763 873 838 A 8 TRP HE3 A 8 TRP HA 1.0 1.801 3.677 874 839 A 46 MET HE% A 27 LEU HG 1.0 1.648 6.000 875 840 A 88 LEU HBy A 46 MET HE% 1.0 1.542 2.628 876 841 A 61 MET HE% A 5 LEU HDx% 1.0 1.405 2.229 877 842 A 61 MET HE% A 51 ILE HD1% 1.0 1.606 2.844 878 843 A 61 MET HGy A 61 MET HE% 1.0 1.447 2.347 879 844 A 84 TRP HBx A 61 MET HE% 1.0 1.570 2.718 880 845 A 84 TRP HBy A 61 MET HE% 1.0 1.554 2.668 881 846 A 84 TRP HD1 A 61 MET HE% 1.0 1.691 3.165 882 847 A 84 TRP HE3 A 61 MET HE% 1.0 1.748 6.000 883 848 A 61 MET HE% A 84 TRP H 1.0 1.726 6.000 884 849 A 75 ALA H A 61 MET HE% 1.0 1.794 3.638 885 850 A 1 MET H A 22 LEU HBy 1.0 1.854 3.988 886 851 A 4 VAL HGy% A 20 PHE H 1.0 1.805 6.000 887 852 A 8 TRP HA A 8 TRP H 1.0 1.834 3.866 888 853 A 16 GLN H A 8 TRP HA 1.0 1.846 3.936 889 854 A 10 ASN H A 10 ASN HA 1.0 1.822 3.792 890 855 A 31 ASP H A 30 TYR HA 1.0 1.659 3.037 891 856 A 33 GLN HA A 34 ASP H 1.0 1.848 3.946 892 857 A 19 TRP HE1 A 33 GLN HA 1.0 1.845 3.927 893 858 A 56 ALA H A 55 SER HA 1.0 1.802 3.682 894 859 A 60 ARG HA A 61 MET H 1.0 1.527 2.581 895 860 A 9 THR H A 9 THR HG2% 1.0 1.685 3.139 896 861 A 81 ARG HBy A 75 ALA HB% 1.0 1.519 2.559 897 862 A 59 THR HG2% A 59 THR HB 1.0 1.417 2.263 898 863 A 59 THR HA A 59 THR HG2% 1.0 1.519 2.559 899 864 A 78 ALA HA A 59 THR HG2% 1.0 1.621 2.899 900 865 A 77 ASN H A 59 THR HG2% 1.0 1.729 3.325 901 866 A 78 ALA H A 59 THR HG2% 1.0 1.616 2.878 902 867 A 59 THR H A 59 THR HG2% 1.0 1.572 2.726 903 868 A 77 ASN HBy A 59 THR HG2% 1.0 1.732 6.000 904 869 A 78 ALA HB% A 59 THR HG2% 1.0 1.560 6.000 905 870 A 4 VAL HGx% A 17 PRO HBy 1.0 1.593 2.799 906 871 A 4 VAL HGx% A 17 PRO HBx 1.0 1.602 2.828 907 872 A 4 VAL HGx% A 17 PRO HA 1.0 1.741 3.377 908 873 A 15 TRP HH2 A 4 VAL HGx% 1.0 1.786 3.598 909 874 A 4 VAL HGx% A 5 LEU H 1.0 1.558 2.682 910 875 A 53 VAL HGx% A 61 MET HGx 1.0 1.759 3.463 911 876 A 54 HIS H A 53 VAL HGy% 1.0 1.711 3.247 912 877 A 35 ASP H A 36 VAL HGy% 1.0 1.822 3.796 913 878 A 75 ALA H A 5 LEU HDx% 1.0 1.787 3.601 914 879 A 12 LEU H A 12 LEU HG 1.0 1.627 2.917 915 880 A 13 THR H A 12 LEU HG 1.0 1.760 6.000 916 881 A 12 LEU HBy A 12 LEU HG 1.0 1.583 2.765 917 882 A 12 LEU HBx A 12 LEU HG 1.0 1.591 6.000 918 883 A 12 LEU HG A 12 LEU HDx% 1.0 1.467 2.403 919 884 A 96 THR H A 95 LEU HG 1.0 1.585 2.773 920 885 A 84 TRP HE3 A 1 MET HE% 1.0 1.827 6.000 921 886 A 84 TRP HE3 A 84 TRP HA 1.0 1.663 3.051 922 887 A 96 THR HA A 96 THR HG2% 1.0 1.443 2.335 923 888 A 97 ASP H A 96 THR HG2% 1.0 1.693 3.175 924 889 A 96 THR H A 96 THR HG2% 1.0 1.619 2.891 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 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 5 LEU H A 18 ARG O 1.0 1.8 2.4 2 2 A 18 ARG O A 5 LEU N 1.0 2.6 3.4 3 3 A 6 TYR H A 74 LYS O 1.0 1.8 2.4 4 4 A 74 LYS O A 6 TYR N 1.0 2.6 3.4 5 5 A 7 LYS H A 16 GLN O 1.0 1.8 2.4 6 6 A 16 GLN O A 7 LYS N 1.0 2.6 3.4 7 7 A 18 ARG H A 5 LEU O 1.0 1.8 2.4 8 8 A 5 LEU O A 18 ARG N 1.0 2.6 3.4 9 9 A 20 PHE H A 3 GLY O 1.0 1.8 2.4 10 10 A 3 GLY O A 20 PHE N 1.0 2.6 3.4 11 11 A 21 VAL H A 28 SER O 1.0 1.8 2.4 12 12 A 28 SER O A 21 VAL N 1.0 2.6 3.4 13 13 A 22 LEU H A 1 MET O 1.0 1.8 2.4 14 14 A 1 MET O A 22 LEU N 1.0 2.6 3.4 15 15 A 23 ASP H A 26 ILE O 1.0 1.8 2.4 16 16 A 26 ILE O A 23 ASP N 1.0 2.6 3.4 17 17 A 26 ILE H A 23 ASP O 1.0 1.8 2.4 18 18 A 23 ASP O A 26 ILE N 1.0 2.6 3.4 19 19 A 27 LEU H A 44 ILE O 1.0 1.8 2.4 20 20 A 44 ILE O A 27 LEU N 1.0 2.6 3.4 21 21 A 28 SER H A 21 VAL O 1.0 1.8 2.4 22 22 A 21 VAL O A 28 SER N 1.0 2.6 3.4 23 23 A 52 LYS H A 62 GLU O 1.0 1.8 2.4 24 24 A 62 GLU O A 52 LYS N 1.0 2.6 3.4 25 25 A 61 MET H A 73 MET O 1.0 1.8 2.4 26 26 A 73 MET O A 61 MET N 1.0 2.6 3.4 27 27 A 64 ILE H A 50 GLU O 1.0 1.8 2.4 28 28 A 50 GLU O A 64 ILE N 1.0 2.6 3.4 29 29 A 73 MET H A 61 MET O 1.0 1.8 2.4 30 30 A 61 MET O A 73 MET N 1.0 2.6 3.4 31 31 A 84 TRP H A 80 GLU O 1.0 1.8 2.4 32 32 A 80 GLU O A 84 TRP N 1.0 2.6 3.4 33 33 A 85 LEU H A 81 ARG O 1.0 1.8 2.4 34 34 A 81 ARG O A 85 LEU N 1.0 2.6 3.4 35 35 A 87 ALA H A 83 ARG O 1.0 1.8 2.4 36 36 A 83 ARG O A 87 ALA N 1.0 2.6 3.4 37 37 A 88 LEU H A 84 TRP O 1.0 1.8 2.4 38 38 A 84 TRP O A 88 LEU N 1.0 2.6 3.4 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 0 PHE N A 0 PHE CA A 0 PHE C A 1 MET N 1.0 123.46 160.18 PSI 2 2 A -1 GLU C A 0 PHE N A 0 PHE CA A 0 PHE C 1.0 -125.57 -104.81 PHI 3 3 A 1 MET N A 1 MET CA A 1 MET C A 2 GLU N 1.0 124.35 153.21 PSI 4 4 A 0 PHE C A 1 MET N A 1 MET CA A 1 MET C 1.0 -139.62 -103.30 PHI 5 5 A 2 GLU N A 2 GLU CA A 2 GLU C A 3 GLY N 1.0 139.55 162.79 PSI 6 6 A 1 MET C A 2 GLU N A 2 GLU CA A 2 GLU C 1.0 -157.70 -125.78 PHI 7 7 A 11 TYR N A 11 TYR CA A 11 TYR C A 12 LEU N 1.0 -56.92 -3.80 PSI 8 8 A 10 ASN C A 11 TYR N A 11 TYR CA A 11 TYR C 1.0 -84.21 -52.29 PHI 9 9 A 12 LEU N A 12 LEU CA A 12 LEU C A 13 THR N 1.0 -40.60 -25.24 PSI 10 10 A 11 TYR C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -72.11 -54.89 PHI 11 11 A 16 GLN N A 16 GLN CA A 16 GLN C A 17 PRO N 1.0 123.95 171.45 PSI 12 12 A 15 TRP C A 16 GLN N A 16 GLN CA A 16 GLN C 1.0 -130.77 -103.09 PHI 13 13 A 18 ARG C A 19 TRP N A 19 TRP CA A 19 TRP C 1.0 -126.35 -95.53 PHI 14 14 A 30 TYR N A 30 TYR CA A 30 TYR C A 31 ASP N 1.0 151.10 177.28 PSI 15 15 A 29 TYR C A 30 TYR N A 30 TYR CA A 30 TYR C 1.0 -144.42 -89.40 PHI 16 16 A 31 ASP N A 31 ASP CA A 31 ASP C A 32 SER N 1.0 -36.32 -16.54 PSI 17 17 A 30 TYR C A 31 ASP N A 31 ASP CA A 31 ASP C 1.0 -79.77 -58.45 PHI 18 18 A 36 VAL N A 36 VAL CA A 36 VAL C A 37 CYS N 1.0 -47.48 -35.00 PSI 19 19 A 35 ASP C A 36 VAL N A 36 VAL CA A 36 VAL C 1.0 -70.80 -54.24 PHI 20 20 A 37 CYS N A 37 CYS CA A 37 CYS C A 38 LYS N 1.0 -29.81 0.01 PSI 21 21 A 36 VAL C A 37 CYS N A 37 CYS CA A 37 CYS C 1.0 -89.16 -58.72 PHI 22 22 A 44 ILE N A 44 ILE CA A 44 ILE C A 45 LYS N 1.0 120.63 150.01 PSI 23 23 A 43 SER C A 44 ILE N A 44 ILE CA A 44 ILE C 1.0 -148.13 -113.03 PHI 24 24 A 47 ALA N A 47 ALA CA A 47 ALA C A 48 VAL N 1.0 -27.57 -10.11 PSI 25 25 A 46 MET C A 47 ALA N A 47 ALA CA A 47 ALA C 1.0 -87.42 -59.36 PHI 26 26 A 48 VAL N A 48 VAL CA A 48 VAL C A 49 CYS N 1.0 -12.06 13.14 PSI 27 27 A 47 ALA C A 48 VAL N A 48 VAL CA A 48 VAL C 1.0 -124.27 -96.01 PHI 28 28 A 50 GLU N A 50 GLU CA A 50 GLU C A 51 ILE N 1.0 116.59 145.65 PSI 29 29 A 49 CYS C A 50 GLU N A 50 GLU CA A 50 GLU C 1.0 -130.07 -89.77 PHI 30 30 A 50 GLU C A 51 ILE N A 51 ILE CA A 51 ILE C 1.0 -129.58 -100.40 PHI 31 31 A 53 VAL N A 53 VAL CA A 53 VAL C A 54 HIS N 1.0 108.30 146.78 PSI 32 32 A 52 LYS C A 53 VAL N A 53 VAL CA A 53 VAL C 1.0 -137.57 -79.43 PHI 33 33 A 62 GLU N A 62 GLU CA A 62 GLU C A 63 LEU N 1.0 124.46 147.86 PSI 34 34 A 61 MET C A 62 GLU N A 62 GLU CA A 62 GLU C 1.0 -149.77 -114.15 PHI 35 35 A 62 GLU C A 63 LEU N A 63 LEU CA A 63 LEU C 1.0 -132.76 -96.66 PHI 36 36 A 65 ILE N A 65 ILE CA A 65 ILE C A 66 PRO N 1.0 111.28 158.58 PSI 37 37 A 64 ILE C A 65 ILE N A 65 ILE CA A 65 ILE C 1.0 -145.19 -86.59 PHI 38 38 A 71 PHE N A 71 PHE CA A 71 PHE C A 72 TYR N 1.0 113.00 146.02 PSI 39 39 A 70 HIS C A 71 PHE N A 71 PHE CA A 71 PHE C 1.0 -131.05 -93.37 PHI 40 40 A 71 PHE C A 72 TYR N A 72 TYR CA A 72 TYR C 1.0 -110.16 -89.32 PHI 41 41 A 74 LYS N A 74 LYS CA A 74 LYS C A 75 ALA N 1.0 121.62 144.50 PSI 42 42 A 73 MET C A 74 LYS N A 74 LYS CA A 74 LYS C 1.0 -153.32 -115.50 PHI 43 43 A 75 ALA C A 76 VAL N A 76 VAL CA A 76 VAL C 1.0 -74.04 -55.50 PHI 44 44 A 79 ALA N A 79 ALA CA A 79 ALA C A 80 GLU N 1.0 -50.74 -32.68 PSI 45 45 A 78 ALA C A 79 ALA N A 79 ALA CA A 79 ALA C 1.0 -73.49 -61.63 PHI 46 46 A 80 GLU N A 80 GLU CA A 80 GLU C A 81 ARG N 1.0 -48.46 -23.46 PSI 47 47 A 79 ALA C A 80 GLU N A 80 GLU CA A 80 GLU C 1.0 -75.33 -61.69 PHI 48 48 A 81 ARG N A 81 ARG CA A 81 ARG C A 82 GLN N 1.0 -45.24 -36.46 PSI 49 49 A 80 GLU C A 81 ARG N A 81 ARG CA A 81 ARG C 1.0 -71.61 -57.39 PHI 50 50 A 82 GLN N A 82 GLN CA A 82 GLN C A 83 ARG N 1.0 -46.82 -33.46 PSI 51 51 A 81 ARG C A 82 GLN N A 82 GLN CA A 82 GLN C 1.0 -71.15 -55.95 PHI 52 52 A 82 GLN C A 83 ARG N A 83 ARG CA A 83 ARG C 1.0 -72.43 -61.77 PHI 53 53 A 85 LEU C A 86 VAL N A 86 VAL CA A 86 VAL C 1.0 -73.50 -64.64 PHI 54 54 A 89 GLY N A 89 GLY CA A 89 GLY C A 90 SER N 1.0 -44.38 -30.82 PSI 55 55 A 88 LEU C A 89 GLY N A 89 GLY CA A 89 GLY C 1.0 -72.44 -59.78 PHI 56 56 A 90 SER N A 90 SER CA A 90 SER C A 91 SER N 1.0 -52.09 -26.15 PSI 57 57 A 89 GLY C A 90 SER N A 90 SER CA A 90 SER C 1.0 -76.35 -55.81 PHI 58 58 A 91 SER N A 91 SER CA A 91 SER C A 92 LYS N 1.0 -49.23 -28.97 PSI 59 59 A 90 SER C A 91 SER N A 91 SER CA A 91 SER C 1.0 -68.92 -57.78 PHI 60 60 A 92 LYS N A 92 LYS CA A 92 LYS C A 93 ALA N 1.0 -47.51 -22.51 PSI 61 61 A 91 SER C A 92 LYS N A 92 LYS CA A 92 LYS C 1.0 -77.83 -56.65 PHI 62 62 A 4 VAL C A 5 LEU N A 5 LEU CA A 5 LEU C 1.0 -151.64 -120.94 PHI 63 63 A 5 LEU N A 5 LEU CA A 5 LEU C A 6 TYR N 1.0 137.44 160.04 PSI 64 64 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 TRP N 1.0 117.01 148.23 PSI 65 65 A 6 TYR C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -138.51 -99.45 PHI 66 66 A 18 ARG N A 18 ARG CA A 18 ARG C A 19 TRP N 1.0 125.96 159.78 PSI 67 67 A 17 PRO C A 18 ARG N A 18 ARG CA A 18 ARG C 1.0 -138.30 -90.78 PHI 68 68 A 19 TRP N A 19 TRP CA A 19 TRP C A 20 PHE N 1.0 117.49 140.25 PSI 69 69 A 19 TRP C A 20 PHE N A 20 PHE CA A 20 PHE C 1.0 -135.25 -99.97 PHI 70 70 A 20 PHE C A 21 VAL N A 21 VAL CA A 21 VAL C 1.0 -135.38 -121.22 PHI 71 71 A 20 PHE N A 20 PHE CA A 20 PHE C A 21 VAL N 1.0 127.79 158.63 PSI 72 72 A 21 VAL C A 22 LEU N A 22 LEU CA A 22 LEU C 1.0 -140.42 -104.86 PHI 73 73 A 21 VAL N A 21 VAL CA A 21 VAL C A 22 LEU N 1.0 120.12 134.28 PSI 74 74 A 23 ASP N A 23 ASP CA A 23 ASP C A 24 ASN N 1.0 108.75 151.05 PSI 75 75 A 22 LEU N A 22 LEU CA A 22 LEU C A 23 ASP N 1.0 121.83 142.89 PSI 76 76 A 22 LEU C A 23 ASP N A 23 ASP CA A 23 ASP C 1.0 -146.73 -85.23 PHI 77 77 A 25 GLY C A 26 ILE N A 26 ILE CA A 26 ILE C 1.0 -126.96 -98.22 PHI 78 78 A 26 ILE C A 27 LEU N A 27 LEU CA A 27 LEU C 1.0 -125.04 -92.62 PHI 79 79 A 26 ILE N A 26 ILE CA A 26 ILE C A 27 LEU N 1.0 120.96 159.48 PSI 80 80 A 28 SER N A 28 SER CA A 28 SER C A 29 TYR N 1.0 125.56 148.50 PSI 81 81 A 27 LEU N A 27 LEU CA A 27 LEU C A 28 SER N 1.0 111.86 129.00 PSI 82 82 A 27 LEU C A 28 SER N A 28 SER CA A 28 SER C 1.0 -137.57 -108.35 PHI 83 83 A 51 ILE N A 51 ILE CA A 51 ILE C A 52 LYS N 1.0 116.22 129.70 PSI 84 84 A 52 LYS N A 52 LYS CA A 52 LYS C A 53 VAL N 1.0 111.27 154.81 PSI 85 85 A 51 ILE C A 52 LYS N A 52 LYS CA A 52 LYS C 1.0 -136.03 -86.21 PHI 86 86 A 61 MET N A 61 MET CA A 61 MET C A 62 GLU N 1.0 132.35 155.93 PSI 87 87 A 60 ARG C A 61 MET N A 61 MET CA A 61 MET C 1.0 -152.64 -135.50 PHI 88 88 A 63 LEU N A 63 LEU CA A 63 LEU C A 64 ILE N 1.0 123.50 140.50 PSI 89 89 A 64 ILE N A 64 ILE CA A 64 ILE C A 65 ILE N 1.0 117.74 137.18 PSI 90 90 A 63 LEU C A 64 ILE N A 64 ILE CA A 64 ILE C 1.0 -134.79 -101.47 PHI 91 91 A 72 TYR N A 72 TYR CA A 72 TYR C A 73 MET N 1.0 121.68 147.08 PSI 92 92 A 73 MET N A 73 MET CA A 73 MET C A 74 LYS N 1.0 139.13 161.47 PSI 93 93 A 72 TYR C A 73 MET N A 73 MET CA A 73 MET C 1.0 -145.29 -122.15 PHI 94 94 A 83 ARG N A 83 ARG CA A 83 ARG C A 84 TRP N 1.0 -42.79 -34.65 PSI 95 95 A 83 ARG C A 84 TRP N A 84 TRP CA A 84 TRP C 1.0 -68.11 -61.73 PHI 96 96 A 85 LEU N A 85 LEU CA A 85 LEU C A 86 VAL N 1.0 -46.45 -35.81 PSI 97 97 A 84 TRP N A 84 TRP CA A 84 TRP C A 85 LEU N 1.0 -46.07 -35.87 PSI 98 98 A 84 TRP C A 85 LEU N A 85 LEU CA A 85 LEU C 1.0 -67.74 -57.16 PHI 99 99 A 86 VAL N A 86 VAL CA A 86 VAL C A 87 ALA N 1.0 -49.88 -38.38 PSI 100 100 A 86 VAL C A 87 ALA N A 87 ALA CA A 87 ALA C 1.0 -70.84 -60.66 PHI 101 101 A 88 LEU N A 88 LEU CA A 88 LEU C A 89 GLY N 1.0 -43.95 -32.23 PSI 102 102 A 87 ALA C A 88 LEU N A 88 LEU CA A 88 LEU C 1.0 -70.20 -56.08 PHI 103 103 A 87 ALA N A 87 ALA CA A 87 ALA C A 88 LEU N 1.0 -46.48 -38.60 PSI stop_ save_