data_nef_c18896_2n17 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_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 18 CYS SG 1 51 CYS SG 1 22 CYS SG 1 44 CYS SG 1 30 CYS SG 1 66 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 ALA middle . . 3 A 3 HIS middle . . 4 A 4 HIS middle . . 5 A 5 HIS middle . . 6 A 6 HIS middle . . 7 A 7 HIS middle . . 8 A 8 HIS middle . . 9 A 9 VAL middle . . 10 A 10 ASP middle . . 11 A 11 ASP middle . . 12 A 12 ASP middle . . 13 A 13 ASP middle . . 14 A 14 LYS middle . . 15 A 15 PRO middle . false 16 A 16 GLU middle . . 17 A 17 ASP middle . . 18 A 18 CYS middle -HG . 19 A 19 GLN middle . . 20 A 20 LEU middle . . 21 A 21 PHE middle . . 22 A 22 CYS middle -HG . 23 A 23 PRO middle . false 24 A 24 MET middle . . 25 A 25 ILE middle . . 26 A 26 TYR middle . . 27 A 27 ALA middle . . 28 A 28 PRO middle . false 29 A 29 ILE middle . . 30 A 30 CYS middle -HG . 31 A 31 ALA middle . . 32 A 32 THR middle . . 33 A 33 ASP middle . . 34 A 34 GLY middle . false 35 A 35 VAL middle . . 36 A 36 SER middle . . 37 A 37 GLN middle . . 38 A 38 ARG middle . . 39 A 39 THR middle . . 40 A 40 PHE middle . . 41 A 41 SER middle . . 42 A 42 ASN middle . . 43 A 43 PRO middle . false 44 A 44 CYS middle -HG . 45 A 45 ASP middle . . 46 A 46 LEU middle . . 47 A 47 LYS middle . . 48 A 48 VAL middle . . 49 A 49 TYR middle . . 50 A 50 ASN middle . . 51 A 51 CYS middle -HG . 52 A 52 TRP middle . . 53 A 53 ASN middle . . 54 A 54 PRO middle . false 55 A 55 ASP middle . . 56 A 56 ASN middle . . 57 A 57 PRO middle . false 58 A 58 TYR middle . . 59 A 59 LYS middle . . 60 A 60 GLU middle . . 61 A 61 VAL middle . . 62 A 62 LYS middle . . 63 A 63 VAL middle . . 64 A 64 GLY middle . false 65 A 65 GLU middle . . 66 A 66 CYS middle -HG . 67 A 67 ASP middle . . 68 A 68 ASP middle . . 69 A 69 ALA middle . . 70 A 70 ASN middle . . 71 A 71 LYS middle . . 72 A 72 PRO middle . false 73 A 73 VAL middle . . 74 A 74 PRO middle . false 75 A 75 ILE 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 17 ASP C C 13 176.008 0.000 A 17 ASP CA C 13 55.019 0.000 A 17 ASP CB C 13 41.143 0.000 A 18 CYS H H 1 7.975 0.017 A 18 CYS HA H 1 4.359 0.016 A 18 CYS HBy H 1 2.521 0.024 A 18 CYS HBx H 1 1.925 0.024 A 18 CYS C C 13 175.215 0.000 A 18 CYS CA C 13 55.038 0.081 A 18 CYS CB C 13 37.007 0.116 A 18 CYS N N 15 117.118 0.089 A 19 GLN H H 1 7.917 0.005 A 19 GLN HA H 1 4.357 0.008 A 19 GLN HB2 H 1 1.986 0.004 A 19 GLN HE21 H 1 7.633 0.006 A 19 GLN HE22 H 1 6.913 0.010 A 19 GLN HGy H 1 2.259 0.004 A 19 GLN HGx H 1 2.154 0.002 A 19 GLN C C 13 174.698 0.007 A 19 GLN CA C 13 55.433 0.135 A 19 GLN CB C 13 28.492 0.137 A 19 GLN CD C 13 180.609 0.046 A 19 GLN CG C 13 34.168 0.034 A 19 GLN N N 15 121.248 0.078 A 19 GLN NE2 N 15 113.550 0.199 A 20 LEU H H 1 7.357 0.008 A 20 LEU HA H 1 4.285 0.020 A 20 LEU HBx H 1 1.427 0.017 A 20 LEU HBy H 1 1.520 0.015 A 20 LEU HDx% H 1 0.842 0.021 A 20 LEU HDy% H 1 0.898 0.014 A 20 LEU HG H 1 1.453 0.011 A 20 LEU C C 13 175.951 0.042 A 20 LEU CA C 13 55.134 0.046 A 20 LEU CB C 13 43.694 0.061 A 20 LEU CDx C 13 24.086 0.000 A 20 LEU CDy C 13 25.306 0.050 A 20 LEU CG C 13 24.817 0.000 A 20 LEU N N 15 125.048 0.037 A 21 PHE H H 1 8.395 0.009 A 21 PHE HA H 1 4.610 0.015 A 21 PHE HB2 H 1 3.039 0.009 A 21 PHE HDx H 1 7.225 0.009 A 21 PHE HDy H 1 7.225 0.009 A 21 PHE HEx H 1 7.319 0.014 A 21 PHE HEy H 1 7.319 0.014 A 21 PHE HZ H 1 7.272 0.020 A 21 PHE C C 13 175.273 0.048 A 21 PHE CA C 13 57.502 0.085 A 21 PHE CB C 13 38.995 0.078 A 21 PHE CDx C 13 133.804 0.000 A 21 PHE CDy C 13 133.804 0.000 A 21 PHE CEx C 13 131.630 0.000 A 21 PHE CEy C 13 131.630 0.000 A 21 PHE CZ C 13 129.751 0.000 A 21 PHE N N 15 122.619 0.025 A 22 CYS H H 1 8.287 0.006 A 22 CYS HA H 1 5.109 0.005 A 22 CYS HBx H 1 2.697 0.012 A 22 CYS HBy H 1 3.071 0.019 A 22 CYS CA C 13 51.077 0.039 A 22 CYS CB C 13 37.940 0.121 A 22 CYS N N 15 124.909 0.091 A 23 PRO HA H 1 4.429 0.026 A 23 PRO HBx H 1 1.822 0.004 A 23 PRO HBy H 1 2.369 0.009 A 23 PRO HDx H 1 3.635 0.006 A 23 PRO HDy H 1 3.803 0.011 A 23 PRO HGx H 1 1.943 0.076 A 23 PRO HGy H 1 2.050 0.030 A 23 PRO C C 13 176.763 0.022 A 23 PRO CA C 13 62.839 0.000 A 23 PRO CB C 13 32.497 0.257 A 23 PRO CD C 13 50.744 0.031 A 23 PRO CG C 13 27.471 0.097 A 24 MET H H 1 8.716 0.003 A 24 MET HA H 1 4.485 0.002 A 24 MET HBx H 1 1.964 0.002 A 24 MET HBy H 1 2.169 0.002 A 24 MET HGy H 1 2.639 0.003 A 24 MET HGx H 1 2.563 0.019 A 24 MET C C 13 175.364 0.000 A 24 MET CA C 13 55.120 0.139 A 24 MET CB C 13 30.795 0.013 A 24 MET N N 15 124.165 0.041 A 25 ILE H H 1 7.302 0.005 A 25 ILE HA H 1 4.277 0.002 A 25 ILE HB H 1 1.720 0.010 A 25 ILE C C 13 174.593 0.011 A 25 ILE CA C 13 59.969 0.020 A 25 ILE CB C 13 41.183 0.085 A 25 ILE N N 15 123.679 0.101 A 26 TYR H H 1 8.954 0.011 A 26 TYR HA H 1 4.882 0.004 A 26 TYR HBy H 1 3.089 0.005 A 26 TYR HBx H 1 2.912 0.006 A 26 TYR HDx H 1 7.222 0.005 A 26 TYR HDy H 1 7.222 0.005 A 26 TYR HEx H 1 6.794 0.006 A 26 TYR HEy H 1 6.794 0.006 A 26 TYR C C 13 173.845 0.000 A 26 TYR CA C 13 58.110 0.089 A 26 TYR CB C 13 38.114 0.115 A 26 TYR CDx C 13 131.837 0.000 A 26 TYR CDy C 13 131.837 0.000 A 26 TYR CEx C 13 118.133 0.000 A 26 TYR CEy C 13 118.133 0.000 A 26 TYR N N 15 130.535 0.045 A 27 ALA H H 1 8.831 0.004 A 27 ALA HA H 1 4.502 0.002 A 27 ALA CA C 13 50.386 0.119 A 27 ALA CB C 13 19.291 0.000 A 27 ALA N N 15 134.254 0.045 A 28 PRO C C 13 177.188 0.000 A 28 PRO CA C 13 62.637 0.119 A 28 PRO CB C 13 33.066 0.241 A 29 ILE H H 1 8.232 0.007 A 29 ILE HA H 1 4.657 0.004 A 29 ILE HB H 1 1.840 0.009 A 29 ILE HG2% H 1 0.923 0.004 A 29 ILE C C 13 173.065 0.092 A 29 ILE CA C 13 59.528 0.079 A 29 ILE CB C 13 42.411 0.051 A 29 ILE N N 15 115.079 0.113 A 30 CYS H H 1 8.856 0.003 A 30 CYS HA H 1 5.278 0.003 A 30 CYS HB3 H 1 2.772 0.005 A 30 CYS C C 13 173.485 0.054 A 30 CYS CA C 13 55.083 0.030 A 30 CYS CB C 13 41.360 0.056 A 30 CYS N N 15 124.230 0.066 A 31 ALA H H 1 9.396 0.004 A 31 ALA HA H 1 5.529 0.003 A 31 ALA HB% H 1 1.454 0.003 A 31 ALA C C 13 174.444 0.029 A 31 ALA CA C 13 50.708 0.087 A 31 ALA CB C 13 25.127 0.029 A 31 ALA N N 15 134.726 0.065 A 32 THR H H 1 9.290 0.005 A 32 THR HA H 1 5.803 0.002 A 32 THR HB H 1 4.070 0.003 A 32 THR HG2% H 1 1.163 0.012 A 32 THR C C 13 172.368 0.012 A 32 THR CA C 13 58.950 0.053 A 32 THR CB C 13 71.845 0.156 A 32 THR CG2 C 13 19.416 0.000 A 32 THR N N 15 113.454 0.056 A 33 ASP H H 1 8.102 0.007 A 33 ASP HA H 1 4.666 0.010 A 33 ASP HB2 H 1 2.670 0.004 A 33 ASP C C 13 176.958 0.070 A 33 ASP CA C 13 53.170 0.059 A 33 ASP CB C 13 39.623 0.066 A 33 ASP N N 15 130.509 0.061 A 34 GLY H H 1 8.888 0.003 A 34 GLY HAy H 1 4.486 0.003 A 34 GLY HAx H 1 3.532 0.006 A 34 GLY C C 13 173.766 0.021 A 34 GLY CA C 13 45.052 0.070 A 34 GLY N N 15 112.582 0.083 A 35 VAL H H 1 8.489 0.005 A 35 VAL HA H 1 4.081 0.006 A 35 VAL HB H 1 2.154 0.006 A 35 VAL HGx% H 1 0.933 0.007 A 35 VAL HGy% H 1 0.814 0.009 A 35 VAL C C 13 176.290 0.063 A 35 VAL CA C 13 64.495 0.091 A 35 VAL CB C 13 34.549 0.062 A 35 VAL CGy C 13 21.281 0.025 A 35 VAL CGx C 13 21.137 0.000 A 35 VAL N N 15 123.201 0.046 A 36 SER H H 1 9.621 0.012 A 36 SER HA H 1 4.832 0.005 A 36 SER C C 13 173.673 0.030 A 36 SER CA C 13 57.666 0.071 A 36 SER CB C 13 65.175 0.065 A 36 SER N N 15 119.781 0.035 A 37 GLN H H 1 8.768 0.003 A 37 GLN HA H 1 5.616 0.003 A 37 GLN HBx H 1 1.984 0.009 A 37 GLN HBy H 1 2.269 0.016 A 37 GLN HE21 H 1 6.740 0.011 A 37 GLN HE22 H 1 7.410 0.010 A 37 GLN HGy H 1 2.435 0.009 A 37 GLN HGx H 1 2.249 0.015 A 37 GLN C C 13 175.481 0.176 A 37 GLN CA C 13 54.866 0.043 A 37 GLN CB C 13 31.027 0.179 A 37 GLN CG C 13 34.318 0.086 A 37 GLN N N 15 123.327 0.083 A 37 GLN NE2 N 15 111.022 0.133 A 38 ARG H H 1 9.277 0.004 A 38 ARG HA H 1 4.472 0.005 A 38 ARG HBy H 1 1.399 0.013 A 38 ARG HBx H 1 1.287 0.008 A 38 ARG HD2 H 1 2.472 0.006 A 38 ARG HGy H 1 1.068 0.005 A 38 ARG HGx H 1 0.711 0.004 A 38 ARG C C 13 174.120 0.055 A 38 ARG CA C 13 55.343 0.128 A 38 ARG CB C 13 34.970 0.147 A 38 ARG N N 15 124.252 0.091 A 39 THR H H 1 8.629 0.008 A 39 THR HA H 1 5.049 0.005 A 39 THR HB H 1 3.971 0.004 A 39 THR HG2% H 1 1.186 0.010 A 39 THR C C 13 175.440 0.043 A 39 THR CA C 13 62.660 0.037 A 39 THR CB C 13 69.547 0.119 A 39 THR CG2 C 13 24.116 0.000 A 39 THR N N 15 124.951 0.084 A 40 PHE H H 1 9.398 0.009 A 40 PHE HA H 1 4.611 0.004 A 40 PHE HBx H 1 2.617 0.005 A 40 PHE HBy H 1 2.974 0.005 A 40 PHE C C 13 176.032 0.078 A 40 PHE CA C 13 57.522 0.018 A 40 PHE CB C 13 42.105 0.029 A 40 PHE N N 15 129.055 0.077 A 41 SER H H 1 9.660 0.009 A 41 SER HA H 1 4.072 0.004 A 41 SER HB2 H 1 3.996 0.005 A 41 SER C C 13 171.980 0.037 A 41 SER CA C 13 62.144 0.180 A 41 SER CB C 13 63.614 0.068 A 41 SER N N 15 119.331 0.037 A 42 ASN H H 1 7.516 0.007 A 42 ASN HA H 1 5.146 0.002 A 42 ASN HBy H 1 3.317 0.009 A 42 ASN HBx H 1 2.922 0.011 A 42 ASN HD21 H 1 7.825 0.005 A 42 ASN HD22 H 1 7.109 0.007 A 42 ASN C C 13 174.058 0.000 A 42 ASN CA C 13 52.485 0.001 A 42 ASN CB C 13 38.110 0.167 A 42 ASN N N 15 109.995 0.083 A 42 ASN ND2 N 15 118.259 0.096 A 43 PRO C C 13 178.060 0.000 A 43 PRO CA C 13 65.816 0.000 A 44 CYS H H 1 8.246 0.008 A 44 CYS HA H 1 4.225 0.000 A 44 CYS HB3 H 1 2.618 0.000 A 44 CYS C C 13 175.421 0.000 A 44 CYS CB C 13 36.330 0.038 A 44 CYS N N 15 121.974 0.093 A 45 ASP H H 1 8.256 0.008 A 45 ASP HA H 1 4.421 0.000 A 45 ASP HB2 H 1 2.546 0.000 A 45 ASP C C 13 179.318 0.017 A 45 ASP CA C 13 57.628 0.000 A 45 ASP CB C 13 41.360 0.000 A 45 ASP N N 15 122.716 0.049 A 46 LEU H H 1 6.880 0.008 A 46 LEU HA H 1 3.373 0.007 A 46 LEU HBx H 1 0.526 0.008 A 46 LEU HBy H 1 1.756 0.010 A 46 LEU HDx% H 1 0.004 0.007 A 46 LEU HDy% H 1 0.610 0.008 A 46 LEU HG H 1 1.221 0.007 A 46 LEU C C 13 176.364 0.043 A 46 LEU CA C 13 57.842 0.068 A 46 LEU CB C 13 41.385 0.105 A 46 LEU CDx C 13 24.048 0.050 A 46 LEU CDy C 13 26.461 0.013 A 46 LEU CG C 13 26.861 0.187 A 46 LEU N N 15 120.620 0.068 A 47 LYS H H 1 7.548 0.006 A 47 LYS HA H 1 3.930 0.006 A 47 LYS HBy H 1 2.035 0.007 A 47 LYS HBx H 1 1.955 0.007 A 47 LYS HDy H 1 1.651 0.015 A 47 LYS HDx H 1 1.596 0.002 A 47 LYS HE2 H 1 2.929 0.019 A 47 LYS HG2 H 1 1.365 0.009 A 47 LYS C C 13 180.308 0.010 A 47 LYS CA C 13 60.274 0.093 A 47 LYS CB C 13 32.530 0.197 A 47 LYS N N 15 121.416 0.050 A 48 VAL H H 1 8.573 0.005 A 48 VAL HA H 1 3.539 0.005 A 48 VAL HB H 1 2.263 0.009 A 48 VAL HGx% H 1 1.155 0.013 A 48 VAL HGy% H 1 1.226 0.014 A 48 VAL C C 13 177.706 0.039 A 48 VAL CA C 13 67.420 0.093 A 48 VAL CB C 13 32.411 0.105 A 48 VAL CGx C 13 22.003 0.111 A 48 VAL CGy C 13 24.688 0.044 A 48 VAL N N 15 122.266 0.061 A 49 TYR H H 1 8.123 0.007 A 49 TYR HA H 1 4.107 0.008 A 49 TYR HBy H 1 3.322 0.008 A 49 TYR HBx H 1 3.197 0.004 A 49 TYR C C 13 179.292 0.080 A 49 TYR CA C 13 63.179 0.131 A 49 TYR CB C 13 38.884 0.022 A 49 TYR N N 15 122.375 0.069 A 50 ASN H H 1 8.638 0.004 A 50 ASN HA H 1 4.465 0.005 A 50 ASN HBy H 1 2.835 0.007 A 50 ASN HBx H 1 2.765 0.006 A 50 ASN HD21 H 1 7.527 0.007 A 50 ASN HD22 H 1 7.388 0.012 A 50 ASN C C 13 177.555 0.007 A 50 ASN CA C 13 55.052 0.085 A 50 ASN CB C 13 37.479 0.198 A 50 ASN N N 15 120.078 0.076 A 50 ASN ND2 N 15 108.870 0.134 A 51 CYS H H 1 7.904 0.005 A 51 CYS HA H 1 4.110 0.005 A 51 CYS HBx H 1 3.025 0.012 A 51 CYS HBy H 1 3.145 0.008 A 51 CYS C C 13 176.723 0.000 A 51 CYS CA C 13 60.095 0.074 A 51 CYS CB C 13 39.186 0.173 A 51 CYS N N 15 123.009 0.043 A 52 TRP H H 1 7.707 0.004 A 52 TRP HA H 1 4.553 0.009 A 52 TRP HBy H 1 3.297 0.006 A 52 TRP HBx H 1 3.031 0.004 A 52 TRP HD1 H 1 7.390 0.011 A 52 TRP HE1 H 1 10.048 0.005 A 52 TRP HE3 H 1 7.687 0.022 A 52 TRP HH2 H 1 7.170 0.013 A 52 TRP HZ2 H 1 7.344 0.009 A 52 TRP HZ3 H 1 7.122 0.018 A 52 TRP C C 13 176.162 0.017 A 52 TRP CA C 13 58.581 0.114 A 52 TRP CB C 13 31.034 0.143 A 52 TRP CD1 C 13 128.429 0.000 A 52 TRP CE3 C 13 121.183 0.000 A 52 TRP CH2 C 13 124.442 0.000 A 52 TRP CZ2 C 13 114.642 0.000 A 52 TRP CZ3 C 13 121.898 0.000 A 52 TRP N N 15 119.491 0.054 A 52 TRP NE1 N 15 129.365 0.133 A 53 ASN H H 1 7.614 0.008 A 53 ASN HA H 1 5.205 0.006 A 53 ASN HBy H 1 2.447 0.010 A 53 ASN HBx H 1 2.310 0.009 A 53 ASN HD21 H 1 6.531 0.008 A 53 ASN HD22 H 1 6.759 0.009 A 53 ASN C C 13 172.068 0.000 A 53 ASN CA C 13 52.200 0.000 A 53 ASN CB C 13 40.302 0.000 A 53 ASN N N 15 118.561 0.078 A 53 ASN ND2 N 15 119.427 0.089 A 54 PRO HA H 1 4.374 0.004 A 54 PRO HB3 H 1 1.995 0.013 A 54 PRO HDx H 1 3.431 0.003 A 54 PRO HDy H 1 3.599 0.001 A 54 PRO HGy H 1 1.998 0.009 A 54 PRO HGx H 1 1.868 0.009 A 54 PRO CA C 13 65.105 0.050 A 54 PRO CB C 13 31.853 0.032 A 54 PRO CD C 13 50.355 0.033 A 54 PRO CG C 13 27.378 0.153 A 55 ASP H H 1 8.604 0.003 A 55 ASP HA H 1 4.589 0.006 A 55 ASP HBy H 1 2.748 0.002 A 55 ASP HBx H 1 2.632 0.005 A 55 ASP C C 13 176.239 0.012 A 55 ASP CA C 13 55.044 0.070 A 55 ASP CB C 13 41.112 0.111 A 55 ASP N N 15 117.852 0.037 A 56 ASN H H 1 7.636 0.008 A 56 ASN HA H 1 5.140 0.006 A 56 ASN HBx H 1 2.527 0.004 A 56 ASN HBy H 1 2.817 0.007 A 56 ASN HD21 H 1 7.575 0.018 A 56 ASN HD22 H 1 7.562 0.006 A 56 ASN C C 13 170.126 0.000 A 56 ASN CA C 13 52.363 0.000 A 56 ASN CB C 13 40.707 0.000 A 56 ASN N N 15 118.503 0.040 A 56 ASN ND2 N 15 115.286 0.091 A 57 PRO HA H 1 4.845 0.002 A 57 PRO HBx H 1 1.821 0.000 A 57 PRO HBy H 1 2.056 0.004 A 57 PRO CA C 13 63.573 0.085 A 57 PRO CB C 13 33.009 0.016 A 57 PRO CG C 13 27.681 0.000 A 58 TYR H H 1 9.670 0.004 A 58 TYR HA H 1 4.631 0.004 A 58 TYR HBx H 1 2.451 0.010 A 58 TYR HBy H 1 2.667 0.003 A 58 TYR HDx H 1 7.042 0.004 A 58 TYR HDy H 1 7.042 0.004 A 58 TYR HEx H 1 6.712 0.005 A 58 TYR HEy H 1 6.712 0.005 A 58 TYR C C 13 175.916 0.139 A 58 TYR CA C 13 57.571 0.067 A 58 TYR CB C 13 41.934 0.122 A 58 TYR CDx C 13 132.627 0.000 A 58 TYR CDy C 13 132.627 0.000 A 58 TYR CEx C 13 118.872 0.000 A 58 TYR CEy C 13 118.872 0.000 A 58 TYR N N 15 122.253 0.061 A 59 LYS H H 1 9.053 0.005 A 59 LYS HA H 1 4.642 0.006 A 59 LYS HB2 H 1 1.795 0.020 A 59 LYS C C 13 175.947 0.000 A 59 LYS CA C 13 54.724 0.092 A 59 LYS CB C 13 35.791 0.214 A 59 LYS N N 15 122.075 0.042 A 60 GLU H H 1 9.287 0.006 A 60 GLU HA H 1 3.913 0.036 A 60 GLU HBy H 1 1.999 0.048 A 60 GLU HBx H 1 1.894 0.041 A 60 GLU HG2 H 1 2.102 0.043 A 60 GLU C C 13 175.828 0.002 A 60 GLU CA C 13 58.853 0.117 A 60 GLU CB C 13 30.818 0.079 A 60 GLU N N 15 127.563 0.080 A 61 VAL H H 1 9.667 0.006 A 61 VAL HA H 1 4.281 0.007 A 61 VAL HB H 1 1.911 0.010 A 61 VAL HG2% H 1 0.941 0.023 A 61 VAL C C 13 175.715 0.042 A 61 VAL CA C 13 63.089 0.029 A 61 VAL CB C 13 34.606 0.083 A 61 VAL CG2 C 13 21.057 0.074 A 61 VAL N N 15 125.033 0.065 A 62 LYS H H 1 7.780 0.006 A 62 LYS HBy H 1 1.965 0.007 A 62 LYS HBx H 1 1.822 0.005 A 62 LYS C C 13 174.007 0.025 A 62 LYS CA C 13 55.682 0.033 A 62 LYS CB C 13 35.116 0.116 A 62 LYS N N 15 117.414 0.080 A 63 VAL H H 1 8.277 0.012 A 63 VAL HA H 1 4.153 0.004 A 63 VAL HG2% H 1 0.979 0.000 A 63 VAL C C 13 176.000 0.006 A 63 VAL CA C 13 63.481 0.151 A 63 VAL CB C 13 32.652 0.140 A 63 VAL N N 15 121.508 0.084 A 64 GLY H H 1 8.216 0.007 A 64 GLY HAx H 1 3.408 0.006 A 64 GLY HAy H 1 4.369 0.002 A 64 GLY C C 13 171.127 0.014 A 64 GLY CA C 13 43.727 0.133 A 64 GLY N N 15 116.835 0.053 A 65 GLU H H 1 8.056 0.006 A 65 GLU HA H 1 4.031 0.004 A 65 GLU HBx H 1 1.845 0.017 A 65 GLU HBy H 1 2.036 0.005 A 65 GLU HG2 H 1 2.351 0.018 A 65 GLU C C 13 178.651 0.031 A 65 GLU CA C 13 56.591 0.125 A 65 GLU CB C 13 30.106 0.153 A 65 GLU CG C 13 36.436 0.082 A 65 GLU N N 15 114.270 0.028 A 66 CYS H H 1 8.286 0.004 A 66 CYS HA H 1 4.381 0.002 A 66 CYS HBy H 1 3.153 0.006 A 66 CYS HBx H 1 2.647 0.003 A 66 CYS C C 13 175.135 0.061 A 66 CYS CA C 13 54.847 0.096 A 66 CYS CB C 13 38.867 0.117 A 66 CYS N N 15 120.371 0.064 A 67 ASP H H 1 8.630 0.006 A 67 ASP HA H 1 4.547 0.004 A 67 ASP HBx H 1 2.586 0.004 A 67 ASP HBy H 1 2.665 0.005 A 67 ASP C C 13 175.853 0.000 A 67 ASP CA C 13 54.585 0.000 A 67 ASP CB C 13 41.589 0.000 A 67 ASP N N 15 122.408 0.101 A 68 ASP C C 13 176.334 0.000 A 68 ASP CA C 13 54.498 0.000 A 68 ASP CB C 13 41.559 0.000 A 69 ALA H H 1 8.294 0.004 A 69 ALA HA H 1 4.232 0.001 A 69 ALA HB% H 1 1.376 0.001 A 69 ALA C C 13 177.739 0.007 A 69 ALA CA C 13 53.376 0.062 A 69 ALA CB C 13 19.456 0.130 A 69 ALA N N 15 125.686 0.038 A 70 ASN H H 1 8.358 0.004 A 70 ASN HA H 1 4.668 0.001 A 70 ASN HBy H 1 2.812 0.004 A 70 ASN HBx H 1 2.708 0.008 A 70 ASN HD21 H 1 7.711 0.007 A 70 ASN HD22 H 1 6.936 0.011 A 70 ASN C C 13 174.737 0.000 A 70 ASN CA C 13 53.376 0.050 A 70 ASN CB C 13 39.178 0.101 A 70 ASN CG C 13 177.271 0.008 A 70 ASN N N 15 118.124 0.044 A 70 ASN ND2 N 15 114.790 0.196 A 71 LYS H H 1 7.965 0.004 A 71 LYS HA H 1 4.568 0.003 A 71 LYS N N 15 123.926 0.092 A 74 PRO HA H 1 4.432 0.003 A 74 PRO HBy H 1 2.278 0.012 A 74 PRO HBx H 1 1.971 0.000 A 74 PRO HDy H 1 3.867 0.010 A 74 PRO HDx H 1 3.685 0.008 A 74 PRO HGx H 1 1.934 0.000 A 74 PRO HGy H 1 2.071 0.000 A 74 PRO CA C 13 63.463 0.112 A 74 PRO CB C 13 32.071 0.038 A 74 PRO CD C 13 51.219 0.062 A 74 PRO CG C 13 27.791 0.000 A 75 ILE H H 1 7.713 0.006 A 75 ILE N N 15 126.914 0.119 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 23 PRO HDx A 22 CYS HA 1.0 0.0 3.28 2 2 A 18 CYS H A 18 CYS HA 1.0 0.0 3.28 3 3 A 18 CYS H A 18 CYS HBx 1.0 0.0 4.27 4 4 A 18 CYS H A 18 CYS HBy 1.0 0.0 4.24 5 5 A 18 CYS H A 19 GLN HGx 1.0 0.0 4.54 6 6 A 18 CYS H A 19 GLN H 1.0 0.0 3.89 7 7 A 19 GLN HBy A 19 GLN HE22 1.0 0.0 5.07 8 8 A 19 GLN HGx A 19 GLN HE22 1.0 0.0 3.85 9 9 A 18 CYS HBx A 19 GLN H 1.0 0.0 4.46 10 10 A 18 CYS HBy A 19 GLN H 1.0 0.0 4.31 11 11 A 19 GLN H A 19 GLN HA 1.0 0.0 3.22 12 12 A 19 GLN H A 19 GLN HBy 1.0 0.0 3.22 13 13 A 19 GLN HGx A 19 GLN H 1.0 0.0 3.58 14 14 A 20 LEU HDx% A 20 LEU H 1.0 0.0 4.85 15 15 A 20 LEU H A 20 LEU HDy% 1.0 0.0 4.97 16 16 A 19 GLN HA A 20 LEU H 1.0 0.0 2.97 17 17 A 19 GLN HBy A 20 LEU H 1.0 0.0 4.25 18 18 A 20 LEU H A 20 LEU HA 1.0 0.0 3.48 19 19 A 20 LEU H A 20 LEU HBy 1.0 0.0 3.65 20 20 A 20 LEU H A 20 LEU HBx 1.0 0.0 3.03 21 21 A 21 PHE HBy A 21 PHE H 1.0 0.0 3.52 22 22 A 21 PHE HD% A 21 PHE HA 1.0 0.0 5.05 23 23 A 21 PHE HD% A 21 PHE HE% 1.0 0.0 3.70 24 24 A 21 PHE H A 21 PHE HD% 1.0 0.0 5.33 25 25 A 21 PHE HD% A 21 PHE HZ 1.0 0.0 4.29 26 26 A 19 GLN HGx A 21 PHE HE% 1.0 0.0 5.43 27 27 A 21 PHE HE% A 19 GLN HGy 1.0 0.0 5.79 28 28 A 21 PHE HE% A 21 PHE HZ 1.0 0.0 2.74 29 29 A 20 LEU HA A 21 PHE H 1.0 0.0 2.96 30 30 A 20 LEU H A 21 PHE H 1.0 0.0 3.73 31 31 A 21 PHE H A 21 PHE HA 1.0 0.0 3.51 32 32 A 22 CYS HBy A 22 CYS H 1.0 0.0 3.83 33 33 A 22 CYS H A 22 CYS HBx 1.0 0.0 4.04 34 34 A 21 PHE HA A 22 CYS H 1.0 0.0 2.83 35 35 A 21 PHE H A 22 CYS H 1.0 0.0 3.77 36 36 A 22 CYS HA A 22 CYS H 1.0 0.0 3.74 37 37 A 23 PRO HA A 24 MET H 1.0 0.0 3.21 38 38 A 22 CYS HA A 23 PRO HDy 1.0 0.0 3.28 39 39 A 22 CYS H A 23 PRO HDy 1.0 0.0 4.30 40 40 A 23 PRO HDy A 23 PRO HGy 1.0 0.0 3.10 41 41 A 23 PRO HDy A 23 PRO HGx 1.0 0.0 2.74 42 42 A 23 PRO HDx A 22 CYS HBy 1.0 0.0 4.36 43 43 A 24 MET HBy A 25 ILE H 1.0 0.0 4.31 44 44 A 24 MET H A 23 PRO HBy 1.0 0.0 4.27 45 45 A 24 MET H A 23 PRO HBx 1.0 0.0 4.36 46 46 A 24 MET H A 24 MET HA 1.0 0.0 3.82 47 47 A 24 MET H A 24 MET HBy 1.0 0.0 3.66 48 48 A 24 MET H A 24 MET HBx 1.0 0.0 4.00 49 49 A 24 MET H A 24 MET HGx 1.0 0.0 4.78 50 50 A 24 MET H A 24 MET HGy 1.0 0.0 4.78 51 51 A 24 MET H A 25 ILE H 1.0 0.0 4.18 52 52 A 25 ILE HA A 26 TYR H 1.0 0.0 3.02 53 53 A 25 ILE H A 24 MET HA 1.0 0.0 2.80 54 54 A 25 ILE H A 24 MET HGx 1.0 0.0 5.05 55 55 A 25 ILE H A 25 ILE HA 1.0 0.0 3.35 56 56 A 25 ILE H A 25 ILE HB 1.0 0.0 3.33 57 57 A 25 ILE H A 26 TYR H 1.0 0.0 5.06 58 58 A 25 ILE H A 42 ASN HD21 1.0 0.0 4.22 59 59 A 25 ILE H A 42 ASN HD22 1.0 0.0 3.76 60 60 A 26 TYR HA A 27 ALA H 1.0 0.0 3.00 61 61 A 27 ALA H A 26 TYR HBx 1.0 0.0 4.58 62 62 A 26 TYR HA A 26 TYR HD% 1.0 0.0 4.55 63 63 A 26 TYR HD% A 26 TYR HE% 1.0 0.0 3.54 64 64 A 26 TYR H A 26 TYR HD% 1.0 0.0 5.17 65 65 A 27 ALA H A 26 TYR HD% 1.0 0.0 4.53 66 66 A 26 TYR H A 25 ILE HB 1.0 0.0 4.16 67 67 A 26 TYR H A 26 TYR HA 1.0 0.0 4.30 68 68 A 26 TYR H A 26 TYR HBx 1.0 0.0 3.91 69 69 A 26 TYR H A 26 TYR HBy 1.0 0.0 3.76 70 70 A 27 ALA H A 27 ALA HA 1.0 0.0 3.78 71 71 A 29 ILE HA A 29 ILE H 1.0 0.0 3.85 72 72 A 29 ILE HG2% A 31 ALA H 1.0 0.0 5.30 73 73 A 29 ILE H A 29 ILE HB 1.0 0.0 3.97 74 74 A 29 ILE H A 39 THR HA 1.0 0.0 4.49 75 75 A 31 ALA H A 30 CYS HA 1.0 0.0 3.01 76 76 A 30 CYS HA A 38 ARG H 1.0 0.0 4.55 77 77 A 39 THR HA A 30 CYS HA 1.0 0.0 3.39 78 78 A 31 ALA H A 30 CYS HB3 1.0 0.0 4.02 79 79 A 30 CYS HB3 A 66 CYS H 1.0 0.0 3.81 80 80 A 29 ILE HA A 30 CYS H 1.0 0.0 3.12 81 81 A 29 ILE HG2% A 30 CYS H 1.0 0.0 4.38 82 82 A 29 ILE H A 30 CYS H 1.0 0.0 4.58 83 83 A 30 CYS HA A 30 CYS H 1.0 0.0 3.83 84 84 A 30 CYS HB3 A 30 CYS H 1.0 0.0 3.07 85 85 A 31 ALA H A 30 CYS H 1.0 0.0 4.59 86 86 A 30 CYS H A 62 LYS H 1.0 0.0 3.99 87 87 A 30 CYS H A 63 VAL HA 1.0 0.0 4.03 88 88 A 30 CYS H A 64 GLY H 1.0 0.0 3.90 89 89 A 31 ALA H A 31 ALA HA 1.0 0.0 3.87 90 90 A 31 ALA H A 31 ALA HB% 1.0 0.0 3.97 91 91 A 31 ALA H A 32 THR H 1.0 0.0 4.11 92 92 A 31 ALA H A 37 GLN HA 1.0 0.0 4.68 93 93 A 31 ALA H A 38 ARG H 1.0 0.0 3.49 94 94 A 31 ALA H A 39 THR HA 1.0 0.0 4.05 95 95 A 31 ALA H A 40 PHE HD% 1.0 0.0 4.73 96 96 A 31 ALA H A 40 PHE HE% 1.0 0.0 6.22 97 97 A 32 THR H A 32 THR HA 1.0 0.0 3.91 98 98 A 37 GLN HA A 32 THR HA 1.0 0.0 3.13 99 99 A 32 THR HA A 37 GLN HE21 1.0 0.0 4.08 100 100 A 32 THR HA A 37 GLN HGx 1.0 0.0 4.88 101 101 A 32 THR HA A 37 GLN HGy 1.0 0.0 4.95 102 102 A 32 THR HA A 58 TYR HBy 1.0 0.0 5.59 103 103 A 32 THR HA A 58 TYR HD% 1.0 0.0 3.92 104 104 A 32 THR HA A 58 TYR HE% 1.0 0.0 4.21 105 105 A 32 THR HA A 61 VAL HG2% 1.0 0.0 5.62 106 106 A 32 THR H A 32 THR HB 1.0 0.0 3.85 107 107 A 31 ALA HA A 32 THR HG2% 1.0 0.0 5.35 108 108 A 32 THR H A 32 THR HG2% 1.0 0.0 3.71 109 109 A 32 THR HG2% A 33 ASP H 1.0 0.0 4.49 110 110 A 32 THR HG2% A 34 GLY H 1.0 0.0 3.92 111 111 A 32 THR HG2% A 35 VAL H 1.0 0.0 5.32 112 112 A 37 GLN HA A 32 THR HG2% 1.0 0.0 5.56 113 113 A 31 ALA HA A 32 THR H 1.0 0.0 3.15 114 114 A 31 ALA HB% A 32 THR H 1.0 0.0 3.98 115 115 A 32 THR H A 58 TYR HBy 1.0 0.0 4.65 116 116 A 32 THR H A 58 TYR HD% 1.0 0.0 4.81 117 117 A 33 ASP H A 33 ASP HA 1.0 0.0 3.72 118 118 A 34 GLY H A 33 ASP HA 1.0 0.0 3.88 119 119 A 35 VAL H A 33 ASP HA 1.0 0.0 4.78 120 120 A 32 THR HA A 33 ASP H 1.0 0.0 3.09 121 121 A 32 THR HB A 33 ASP H 1.0 0.0 4.05 122 122 A 32 THR H A 33 ASP H 1.0 0.0 4.70 123 123 A 33 ASP H A 33 ASP HBy 1.0 0.0 4.19 124 124 A 33 ASP H A 34 GLY H 1.0 0.0 3.21 125 125 A 33 ASP H A 35 VAL H 1.0 0.0 3.99 126 126 A 37 GLN HA A 33 ASP H 1.0 0.0 4.16 127 127 A 58 TYR HD% A 33 ASP H 1.0 0.0 4.80 128 128 A 58 TYR HE% A 33 ASP H 1.0 0.0 4.71 129 129 A 32 THR HA A 34 GLY H 1.0 0.0 3.97 130 130 A 32 THR H A 34 GLY H 1.0 0.0 5.02 131 131 A 34 GLY H A 33 ASP HBy 1.0 0.0 4.84 132 132 A 34 GLY H A 34 GLY HAx 1.0 0.0 3.24 133 133 A 34 GLY H A 34 GLY HAy 1.0 0.0 3.43 134 134 A 34 GLY H A 35 VAL HGx% 1.0 0.0 5.75 135 135 A 34 GLY H A 35 VAL HGy% 1.0 0.0 5.57 136 136 A 35 VAL H A 33 ASP HBy 1.0 0.0 4.74 137 137 A 35 VAL H A 34 GLY HAx 1.0 0.0 3.94 138 138 A 35 VAL H A 34 GLY HAy 1.0 0.0 3.90 139 139 A 34 GLY H A 35 VAL H 1.0 0.0 3.32 140 140 A 35 VAL H A 35 VAL HA 1.0 0.0 3.50 141 141 A 35 VAL H A 35 VAL HB 1.0 0.0 3.24 142 142 A 35 VAL H A 35 VAL HGx% 1.0 0.0 4.07 143 143 A 35 VAL H A 35 VAL HGy% 1.0 0.0 4.69 144 144 A 35 VAL HA A 36 SER H 1.0 0.0 4.01 145 145 A 35 VAL HB A 36 SER H 1.0 0.0 3.20 146 146 A 35 VAL HGx% A 36 SER H 1.0 0.0 4.73 147 147 A 35 VAL HGy% A 36 SER H 1.0 0.0 4.62 148 148 A 36 SER H A 36 SER HA 1.0 0.0 3.68 149 149 A 37 GLN HA A 37 GLN HGx 1.0 0.0 4.24 150 150 A 37 GLN HA A 37 GLN HGy 1.0 0.0 3.92 151 151 A 37 GLN HA A 58 TYR HD% 1.0 0.0 5.24 152 152 A 37 GLN HA A 58 TYR HE% 1.0 0.0 4.70 153 153 A 32 THR HA A 37 GLN HBy 1.0 0.0 4.79 154 154 A 37 GLN HE21 A 37 GLN HBy 1.0 0.0 4.86 155 155 A 37 GLN HBy A 37 GLN H 1.0 0.0 3.68 156 156 A 38 ARG H A 37 GLN HBy 1.0 0.0 3.78 157 157 A 32 THR HA A 37 GLN HBx 1.0 0.0 5.15 158 158 A 37 GLN HBx A 37 GLN HE22 1.0 0.0 4.67 159 159 A 37 GLN H A 37 GLN HBx 1.0 0.0 3.43 160 160 A 38 ARG H A 37 GLN HBx 1.0 0.0 3.96 161 161 A 37 GLN HA A 37 GLN HE21 1.0 1.7 4.02 162 162 A 36 SER HA A 37 GLN H 1.0 0.0 2.91 163 163 A 36 SER H A 37 GLN H 1.0 0.0 4.58 164 164 A 37 GLN HA A 37 GLN H 1.0 0.0 3.59 165 165 A 37 GLN HE21 A 37 GLN H 1.0 1.8 4.94 166 166 A 37 GLN HGx A 37 GLN H 1.0 0.0 4.43 167 167 A 37 GLN HGy A 37 GLN H 1.0 0.0 4.13 168 168 A 38 ARG HA A 39 THR H 1.0 0.0 2.89 169 169 A 58 TYR HE% A 38 ARG HBx 1.0 0.0 5.09 170 170 A 58 TYR HE% A 38 ARG HBy 1.0 0.0 4.83 171 171 A 39 THR H A 38 ARG HGx 1.0 0.0 4.01 172 172 A 39 THR H A 38 ARG HGy 1.0 0.0 4.18 173 173 A 38 ARG H A 37 GLN HA 1.0 0.0 2.86 174 174 A 38 ARG H A 37 GLN HGx 1.0 0.0 4.36 175 175 A 38 ARG H A 37 GLN H 1.0 0.0 4.53 176 176 A 38 ARG H A 38 ARG HA 1.0 0.0 3.64 177 177 A 38 ARG H A 38 ARG HBx 1.0 0.0 3.85 178 178 A 38 ARG H A 38 ARG HBy 1.0 0.0 3.75 179 179 A 38 ARG H A 38 ARG HGx 1.0 0.0 4.57 180 180 A 38 ARG H A 38 ARG HGy 1.0 0.0 4.43 181 181 A 38 ARG H A 39 THR H 1.0 0.0 4.91 182 182 A 38 ARG H A 58 TYR HD% 1.0 0.0 4.74 183 183 A 39 THR H A 38 ARG HBx 1.0 0.0 4.22 184 184 A 39 THR H A 38 ARG HBy 1.0 0.0 4.00 185 185 A 39 THR HA A 39 THR H 1.0 0.0 3.88 186 186 A 39 THR H A 39 THR HB 1.0 0.0 3.14 187 187 A 39 THR H A 39 THR HG2% 1.0 0.0 4.83 188 188 A 31 ALA HB% A 40 PHE HD% 1.0 0.0 4.26 189 189 A 40 PHE HD% A 40 PHE HA 1.0 0.0 4.64 190 190 A 40 PHE HD% A 41 SER H 1.0 0.0 4.84 191 191 A 40 PHE HD% A 42 ASN H 1.0 0.0 4.75 192 192 A 31 ALA HB% A 40 PHE HE% 1.0 0.0 4.57 193 193 A 40 PHE HE% A 38 ARG HBx 1.0 0.0 4.60 194 194 A 40 PHE HE% A 38 ARG HBy 1.0 0.0 4.77 195 195 A 40 PHE HD% A 40 PHE HE% 1.0 0.0 3.75 196 196 A 40 PHE HE% A 40 PHE HZ 1.0 0.0 3.49 197 197 A 40 PHE HE% A 49 TYR HBx 1.0 0.0 4.43 198 198 A 40 PHE HE% A 49 TYR HBy 1.0 0.0 4.74 199 199 A 40 PHE HE% A 49 TYR HD% 1.0 0.0 4.97 200 200 A 40 PHE HE% A 58 TYR HBy 1.0 0.0 5.01 201 201 A 40 PHE HE% A 58 TYR HE% 1.0 0.0 5.37 202 202 A 29 ILE H A 40 PHE H 1.0 0.0 3.86 203 203 A 30 CYS HA A 40 PHE H 1.0 0.0 4.08 204 204 A 39 THR HA A 40 PHE H 1.0 0.0 2.97 205 205 A 39 THR HB A 40 PHE H 1.0 0.0 4.29 206 206 A 39 THR HG2% A 40 PHE H 1.0 0.0 4.03 207 207 A 39 THR H A 40 PHE H 1.0 0.0 4.63 208 208 A 40 PHE HA A 40 PHE H 1.0 0.0 3.99 209 209 A 40 PHE H A 40 PHE HBy 1.0 0.0 3.59 210 210 A 40 PHE H A 40 PHE HBx 1.0 0.0 3.96 211 211 A 40 PHE HD% A 40 PHE H 1.0 0.0 3.96 212 212 A 41 SER H A 40 PHE H 1.0 0.0 4.78 213 213 A 40 PHE HD% A 40 PHE HZ 1.0 0.0 4.64 214 214 A 40 PHE HZ A 49 TYR HE% 1.0 0.0 5.46 215 215 A 58 TYR HE% A 40 PHE HZ 1.0 0.0 5.66 216 216 A 40 PHE HA A 41 SER H 1.0 0.0 3.07 217 217 A 41 SER H A 40 PHE HBy 1.0 0.0 4.26 218 218 A 41 SER H A 40 PHE HBx 1.0 0.0 3.70 219 219 A 41 SER H A 41 SER HA 1.0 0.0 3.55 220 220 A 41 SER H A 41 SER HBy 1.0 0.0 3.62 221 221 A 41 SER H A 42 ASN H 1.0 0.0 3.41 222 222 A 27 ALA H A 42 ASN HA 1.0 0.0 4.74 223 223 A 42 ASN HD21 A 27 ALA H 1.0 1.7 4.79 224 224 A 42 ASN HD21 A 42 ASN HA 1.0 0.0 4.65 225 225 A 42 ASN HD21 A 42 ASN H 1.0 0.0 4.77 226 226 A 25 ILE HB A 42 ASN HD22 1.0 0.0 4.93 227 227 A 42 ASN HD22 A 27 ALA H 1.0 0.0 5.30 228 228 A 42 ASN HD22 A 42 ASN HA 1.0 0.0 4.97 229 229 A 42 ASN HD22 A 42 ASN HBy 1.0 0.0 4.03 230 230 A 40 PHE HA A 42 ASN H 1.0 0.0 4.16 231 231 A 42 ASN H A 40 PHE HBy 1.0 0.0 3.96 232 232 A 42 ASN H A 40 PHE HBx 1.0 0.0 3.10 233 233 A 42 ASN H A 41 SER HA 1.0 0.0 3.75 234 234 A 42 ASN H A 41 SER HBy 1.0 0.0 3.73 235 235 A 42 ASN H A 42 ASN HA 1.0 0.0 3.45 236 236 A 42 ASN H A 42 ASN HBy 1.0 0.0 4.09 237 237 A 44 CYS HA A 44 CYS H 1.0 0.0 3.21 238 238 A 45 ASP HA A 45 ASP H 1.0 0.0 3.05 239 239 A 45 ASP H A 44 CYS HB3 1.0 0.0 3.24 240 240 A 40 PHE HD% A 46 LEU HA 1.0 0.0 4.47 241 241 A 40 PHE HE% A 46 LEU HA 1.0 0.0 4.78 242 242 A 40 PHE HBx A 46 LEU HBy 1.0 0.0 4.54 243 243 A 40 PHE HD% A 46 LEU HBy 1.0 0.0 5.09 244 244 A 46 LEU HBy A 46 LEU H 1.0 0.0 4.24 245 245 A 31 ALA HB% A 46 LEU HDx% 1.0 0.0 4.88 246 246 A 46 LEU HA A 46 LEU HDx% 1.0 0.0 4.36 247 247 A 46 LEU H A 46 LEU HDx% 1.0 0.0 4.69 248 248 A 46 LEU HDx% A 47 LYS HA 1.0 0.0 5.01 249 249 A 46 LEU HDx% A 47 LYS H 1.0 0.0 5.12 250 250 A 46 LEU HDx% A 61 VAL H 1.0 0.0 5.70 251 251 A 31 ALA HB% A 46 LEU HDy% 1.0 0.0 4.74 252 252 A 40 PHE HBx A 46 LEU HDy% 1.0 0.0 5.95 253 253 A 40 PHE HD% A 46 LEU HDy% 1.0 0.0 5.05 254 254 A 40 PHE HE% A 46 LEU HDy% 1.0 0.0 5.22 255 255 A 40 PHE HZ A 46 LEU HDy% 1.0 0.0 5.18 256 256 A 46 LEU HA A 46 LEU HDy% 1.0 0.0 4.03 257 257 A 46 LEU HDx% A 46 LEU HDy% 1.0 0.0 4.32 258 258 A 46 LEU H A 46 LEU HDy% 1.0 0.0 4.95 259 259 A 46 LEU HDy% A 47 LYS HGy 1.0 0.0 5.65 260 260 A 47 LYS H A 46 LEU HDy% 1.0 0.0 5.39 261 261 A 49 TYR HBy A 46 LEU HDy% 1.0 0.0 5.42 262 262 A 46 LEU HDy% A 50 ASN H 1.0 0.0 5.15 263 263 A 46 LEU HDy% A 59 LYS H 1.0 0.0 5.95 264 264 A 46 LEU HDy% A 60 GLU H 1.0 0.0 5.86 265 265 A 46 LEU HA A 46 LEU HG 1.0 0.0 3.98 266 266 A 46 LEU H A 46 LEU HG 1.0 0.0 4.05 267 267 A 46 LEU HG A 50 ASN HD21 1.0 0.0 4.52 268 268 A 46 LEU HG A 50 ASN HD22 1.0 0.0 4.34 269 269 A 40 PHE HBy A 46 LEU H 1.0 0.0 4.48 270 270 A 40 PHE HD% A 46 LEU H 1.0 0.0 4.82 271 271 A 42 ASN H A 46 LEU H 1.0 0.0 4.63 272 272 A 45 ASP HA A 46 LEU H 1.0 0.0 4.12 273 273 A 45 ASP H A 46 LEU H 1.0 0.0 3.45 274 274 A 46 LEU HA A 46 LEU H 1.0 0.0 4.36 275 275 A 46 LEU H A 48 VAL H 1.0 0.0 4.49 276 276 A 47 LYS HA A 50 ASN H 1.0 0.0 4.11 277 277 A 48 VAL H A 47 LYS HBx 1.0 0.0 3.70 278 278 A 48 VAL H A 47 LYS HBy 1.0 0.0 3.66 279 279 A 46 LEU HA A 47 LYS H 1.0 0.0 4.21 280 280 A 46 LEU HBy A 47 LYS H 1.0 0.0 4.50 281 281 A 47 LYS H A 46 LEU HBx 1.0 0.0 3.50 282 282 A 46 LEU H A 47 LYS H 1.0 0.0 3.33 283 283 A 47 LYS HA A 47 LYS H 1.0 0.0 3.42 284 284 A 47 LYS H A 47 LYS HBx 1.0 0.0 3.27 285 285 A 47 LYS H A 47 LYS HBy 1.0 0.0 3.12 286 286 A 47 LYS H A 47 LYS HDx 1.0 0.0 3.97 287 287 A 47 LYS H A 47 LYS HEy 1.0 0.0 4.68 288 288 A 47 LYS H A 47 LYS HGy 1.0 1.7 4.08 289 289 A 47 LYS H A 48 VAL H 1.0 0.0 3.37 290 290 A 47 LYS H A 49 TYR H 1.0 0.0 4.50 291 291 A 49 TYR H A 48 VAL HA 1.0 0.0 4.03 292 292 A 49 TYR HD% A 48 VAL HGx% 1.0 0.0 5.16 293 293 A 49 TYR H A 48 VAL HGx% 1.0 0.0 4.53 294 294 A 49 TYR H A 48 VAL HGy% 1.0 0.0 4.44 295 295 A 47 LYS HA A 48 VAL H 1.0 0.0 4.24 296 296 A 47 LYS HGy A 48 VAL H 1.0 0.0 4.56 297 297 A 48 VAL H A 48 VAL HA 1.0 0.0 3.45 298 298 A 48 VAL H A 48 VAL HB 1.0 0.0 3.55 299 299 A 48 VAL H A 48 VAL HGx% 1.0 0.0 3.57 300 300 A 48 VAL H A 48 VAL HGy% 1.0 0.0 4.71 301 301 A 48 VAL H A 49 TYR H 1.0 0.0 3.37 302 302 A 40 PHE HZ A 49 TYR HD% 1.0 0.0 4.97 303 303 A 49 TYR HD% A 49 TYR HE% 1.0 0.0 3.82 304 304 A 58 TYR HD% A 49 TYR HD% 1.0 0.0 5.27 305 305 A 40 PHE HE% A 49 TYR H 1.0 0.0 4.71 306 306 A 49 TYR H A 48 VAL HB 1.0 0.0 3.30 307 307 A 49 TYR H A 49 TYR HA 1.0 0.0 3.56 308 308 A 49 TYR HBx A 49 TYR H 1.0 0.0 3.20 309 309 A 49 TYR HBy A 49 TYR H 1.0 0.0 3.26 310 310 A 49 TYR HD% A 50 ASN HA 1.0 0.0 4.82 311 311 A 46 LEU HDx% A 50 ASN HD21 1.0 0.0 5.55 312 312 A 46 LEU HDy% A 50 ASN HD21 1.0 0.0 4.82 313 313 A 47 LYS HA A 50 ASN HD21 1.0 0.0 4.28 314 314 A 50 ASN HD21 A 49 TYR H 1.0 0.0 5.22 315 315 A 46 LEU HDx% A 50 ASN HD22 1.0 0.0 4.70 316 316 A 46 LEU HDy% A 50 ASN HD22 1.0 0.0 4.99 317 317 A 47 LYS HA A 50 ASN HD22 1.0 0.0 4.68 318 318 A 50 ASN HD22 A 50 ASN HBx 1.0 0.0 4.05 319 319 A 50 ASN HD22 A 50 ASN HBy 1.0 0.0 3.92 320 320 A 40 PHE HE% A 50 ASN H 1.0 0.0 5.32 321 321 A 50 ASN H A 48 VAL HGx% 1.0 0.0 5.57 322 322 A 50 ASN H A 49 TYR HA 1.0 0.0 4.14 323 323 A 49 TYR HBx A 50 ASN H 1.0 0.0 3.78 324 324 A 49 TYR HBy A 50 ASN H 1.0 0.0 3.48 325 325 A 50 ASN H A 49 TYR H 1.0 0.0 3.55 326 326 A 50 ASN H A 50 ASN HA 1.0 0.0 3.80 327 327 A 50 ASN H A 50 ASN HBx 1.0 0.0 3.39 328 328 A 50 ASN H A 50 ASN HBy 1.0 0.0 3.59 329 329 A 51 CYS HA A 51 CYS H 1.0 0.0 3.38 330 330 A 51 CYS HA A 52 TRP H 1.0 0.0 3.75 331 331 A 50 ASN H A 51 CYS HBy 1.0 0.0 4.76 332 332 A 51 CYS H A 51 CYS HBy 1.0 0.0 3.13 333 333 A 51 CYS H A 51 CYS HBx 1.0 0.0 3.15 334 334 A 48 VAL HA A 51 CYS H 1.0 0.0 3.79 335 335 A 48 VAL HGx% A 51 CYS H 1.0 0.0 5.74 336 336 A 48 VAL HGy% A 51 CYS H 1.0 0.0 5.62 337 337 A 50 ASN HA A 51 CYS H 1.0 0.0 4.27 338 338 A 50 ASN HBx A 51 CYS H 1.0 0.0 3.95 339 339 A 50 ASN HBy A 51 CYS H 1.0 0.0 4.09 340 340 A 50 ASN H A 51 CYS H 1.0 0.0 3.54 341 341 A 52 TRP HBx A 52 TRP HE3 1.0 0.0 4.82 342 342 A 52 TRP HE3 A 52 TRP HBy 1.0 0.0 4.53 343 343 A 51 CYS H A 52 TRP HD1 1.0 0.0 4.51 344 344 A 52 TRP HBx A 52 TRP HD1 1.0 0.0 4.11 345 345 A 52 TRP HBy A 52 TRP HD1 1.0 0.0 4.28 346 346 A 52 TRP HD1 A 52 TRP HE1 1.0 0.0 2.96 347 347 A 48 VAL HGx% A 52 TRP HE1 1.0 0.0 5.87 348 348 A 52 TRP HE1 A 52 TRP HZ2 1.0 0.0 3.78 349 349 A 52 TRP HE3 A 52 TRP HA 1.0 0.0 4.10 350 350 A 52 TRP HE3 A 52 TRP HH2 1.0 0.0 4.47 351 351 A 48 VAL HA A 52 TRP H 1.0 0.0 4.37 352 352 A 48 VAL HGy% A 52 TRP H 1.0 0.0 5.61 353 353 A 50 ASN H A 52 TRP H 1.0 0.0 4.88 354 354 A 52 TRP H A 51 CYS HBx 1.0 0.0 3.55 355 355 A 51 CYS H A 52 TRP H 1.0 0.0 3.49 356 356 A 52 TRP H A 52 TRP HA 1.0 0.0 3.65 357 357 A 52 TRP H A 52 TRP HBx 1.0 0.0 3.17 358 358 A 52 TRP H A 52 TRP HBy 1.0 0.0 3.63 359 359 A 52 TRP H A 52 TRP HD1 1.0 0.0 3.81 360 360 A 52 TRP HZ2 A 52 TRP HH2 1.0 0.0 3.53 361 361 A 52 TRP HE3 A 52 TRP HZ3 1.0 0.0 3.78 362 362 A 52 TRP HH2 A 52 TRP HZ3 1.0 0.0 3.37 363 363 A 53 ASN HA A 55 ASP H 1.0 0.0 4.12 364 364 A 53 ASN HBx A 53 ASN HD22 1.0 0.0 4.38 365 365 A 53 ASN HBx A 53 ASN H 1.0 0.0 3.55 366 366 A 53 ASN HD22 A 53 ASN HBy 1.0 0.0 5.03 367 367 A 52 TRP HBy A 53 ASN HD21 1.0 0.0 4.53 368 368 A 52 TRP H A 53 ASN HD21 1.0 0.0 4.54 369 369 A 50 ASN HA A 53 ASN H 1.0 0.0 4.01 370 370 A 51 CYS HA A 53 ASN H 1.0 0.0 4.56 371 371 A 52 TRP HA A 53 ASN H 1.0 0.0 4.09 372 372 A 52 TRP HBx A 53 ASN H 1.0 0.0 4.05 373 373 A 52 TRP HBy A 53 ASN H 1.0 0.0 4.28 374 374 A 52 TRP H A 53 ASN H 1.0 0.0 3.48 375 375 A 53 ASN HA A 53 ASN H 1.0 0.0 3.85 376 376 A 53 ASN H A 53 ASN HD21 1.0 1.8 3.93 377 377 A 53 ASN HD22 A 53 ASN H 1.0 1.8 4.95 378 378 A 53 ASN H A 54 PRO HDy 1.0 0.0 4.02 379 379 A 53 ASN H A 54 PRO HDx 1.0 0.0 4.32 380 380 A 54 PRO HDy A 54 PRO HGx 1.0 0.0 3.41 381 381 A 55 ASP H A 54 PRO HGx 1.0 0.0 3.52 382 382 A 54 PRO HDy A 54 PRO HGy 1.0 0.0 3.36 383 383 A 55 ASP H A 54 PRO HGy 1.0 0.0 3.67 384 384 A 55 ASP H A 54 PRO HA 1.0 0.0 4.21 385 385 A 55 ASP H A 54 PRO HDy 1.0 0.0 4.30 386 386 A 55 ASP H A 54 PRO HDx 1.0 0.0 3.86 387 387 A 55 ASP H A 55 ASP HA 1.0 0.0 3.55 388 388 A 55 ASP H A 55 ASP HBx 1.0 0.0 3.60 389 389 A 55 ASP H A 55 ASP HBy 1.0 0.0 3.34 390 390 A 55 ASP H A 56 ASN H 1.0 0.0 3.06 391 391 A 56 ASN HBx A 56 ASN HD21 1.0 0.0 3.75 392 391 A 56 ASN HBx A 56 ASN HD22 1.0 0.0 3.75 393 392 A 56 ASN HD21 A 56 ASN HA 1.0 0.0 4.64 394 393 A 56 ASN HA A 56 ASN HD22 1.0 0.0 4.26 395 394 A 56 ASN HD22 A 56 ASN HBy 1.0 0.0 3.91 396 395 A 55 ASP HA A 56 ASN H 1.0 0.0 3.82 397 396 A 55 ASP HBx A 56 ASN H 1.0 0.0 4.27 398 397 A 55 ASP HBy A 56 ASN H 1.0 0.0 3.97 399 398 A 56 ASN H A 56 ASN HA 1.0 0.0 3.44 400 399 A 56 ASN H A 56 ASN HBy 1.0 0.0 3.56 401 400 A 56 ASN H A 56 ASN HBx 1.0 0.0 4.01 402 401 A 58 TYR HA A 58 TYR H 1.0 0.0 3.77 403 402 A 31 ALA HB% A 58 TYR HD% 1.0 0.0 4.47 404 403 A 58 TYR HD% A 58 TYR HE% 1.0 0.0 3.58 405 404 A 58 TYR H A 57 PRO HA 1.0 0.0 3.18 406 405 A 58 TYR H A 57 PRO HBy 1.0 0.0 3.96 407 406 A 58 TYR H A 57 PRO HBx 1.0 0.0 4.14 408 407 A 58 TYR HBy A 58 TYR H 1.0 0.0 3.73 409 408 A 58 TYR H A 58 TYR HBx 1.0 0.0 3.44 410 409 A 58 TYR HD% A 58 TYR H 1.0 0.0 4.35 411 410 A 31 ALA HA A 59 LYS H 1.0 0.0 4.58 412 411 A 33 ASP HBy A 59 LYS H 1.0 0.0 5.12 413 412 A 58 TYR HBy A 59 LYS H 1.0 0.0 3.99 414 413 A 59 LYS H A 58 TYR HBx 1.0 0.0 4.18 415 414 A 58 TYR HD% A 59 LYS H 1.0 0.0 4.88 416 415 A 59 LYS H A 58 TYR H 1.0 0.0 4.81 417 416 A 59 LYS H A 59 LYS HA 1.0 0.0 2.90 418 417 A 59 LYS H A 59 LYS HBy 1.0 0.0 3.63 419 418 A 61 VAL HG2% A 60 GLU HA 1.0 0.0 4.88 420 419 A 61 VAL H A 60 GLU HA 1.0 0.0 3.05 421 420 A 60 GLU H A 59 LYS HA 1.0 0.0 2.77 422 421 A 60 GLU H A 59 LYS HBy 1.0 0.0 3.81 423 422 A 59 LYS H A 60 GLU H 1.0 0.0 4.74 424 423 A 60 GLU H A 60 GLU HA 1.0 0.0 3.55 425 424 A 60 GLU H A 60 GLU HBx 1.0 0.0 3.24 426 425 A 60 GLU H A 60 GLU HGy 1.0 0.0 4.08 427 426 A 61 VAL HG2% A 60 GLU H 1.0 0.0 5.38 428 427 A 61 VAL H A 60 GLU H 1.0 0.0 4.41 429 428 A 31 ALA HA A 61 VAL HG2% 1.0 0.0 4.02 430 429 A 61 VAL HG2% A 32 THR HB 1.0 0.0 3.63 431 430 A 32 THR H A 61 VAL HG2% 1.0 0.0 4.24 432 431 A 61 VAL HG2% A 59 LYS H 1.0 0.0 5.63 433 432 A 61 VAL HG2% A 61 VAL HA 1.0 0.0 3.97 434 433 A 31 ALA HA A 61 VAL H 1.0 0.0 3.44 435 434 A 31 ALA HB% A 61 VAL H 1.0 0.0 4.83 436 435 A 32 THR H A 61 VAL H 1.0 0.0 4.43 437 436 A 61 VAL H A 60 GLU HGy 1.0 0.0 4.30 438 437 A 61 VAL H A 61 VAL HA 1.0 0.0 4.21 439 438 A 61 VAL H A 61 VAL HB 1.0 0.0 3.55 440 439 A 61 VAL HG2% A 61 VAL H 1.0 0.0 4.12 441 440 A 62 LYS H A 61 VAL HA 1.0 0.0 3.81 442 441 A 62 LYS H A 61 VAL HB 1.0 0.0 3.21 443 442 A 62 LYS H A 61 VAL HG2% 1.0 0.0 4.00 444 443 A 62 LYS H A 61 VAL H 1.0 0.0 3.02 445 444 A 30 CYS H A 63 VAL HG2% 1.0 0.0 5.01 446 445 A 63 VAL HG2% A 63 VAL H 1.0 0.0 3.61 447 446 A 64 GLY H A 63 VAL HG2% 1.0 0.0 4.07 448 447 A 63 VAL H A 62 LYS HBx 1.0 0.0 3.53 449 448 A 62 LYS H A 63 VAL H 1.0 0.0 4.48 450 449 A 64 GLY HAy A 65 GLU H 1.0 0.0 3.14 451 450 A 65 GLU H A 64 GLY HAx 1.0 0.0 3.10 452 451 A 29 ILE HA A 64 GLY H 1.0 0.0 3.21 453 452 A 63 VAL HA A 64 GLY H 1.0 0.0 3.02 454 453 A 64 GLY H A 64 GLY HAy 1.0 0.0 3.53 455 454 A 64 GLY H A 64 GLY HAx 1.0 0.0 3.36 456 455 A 65 GLU H A 65 GLU HA 1.0 0.0 3.41 457 456 A 66 CYS H A 66 CYS HBx 1.0 0.0 3.27 458 457 A 66 CYS H A 66 CYS HBy 1.0 0.0 3.57 459 458 A 66 CYS HBy A 67 ASP H 1.0 0.0 4.66 460 459 A 66 CYS H A 65 GLU HA 1.0 0.0 2.91 461 460 A 66 CYS H A 65 GLU HBy 1.0 0.0 3.72 462 461 A 66 CYS H A 66 CYS HA 1.0 0.0 3.49 463 462 A 67 ASP H A 67 ASP HBy 1.0 0.0 4.53 464 463 A 67 ASP H A 67 ASP HBx 1.0 0.0 4.39 465 464 A 67 ASP H A 66 CYS HA 1.0 0.0 3.90 466 465 A 67 ASP H A 67 ASP HA 1.0 0.0 4.37 467 466 A 69 ALA HA A 70 ASN H 1.0 0.0 4.12 468 467 A 70 ASN H A 69 ALA HB% 1.0 0.0 5.20 469 468 A 69 ALA HA A 69 ALA H 1.0 0.0 3.82 470 469 A 69 ALA HB% A 69 ALA H 1.0 0.0 4.03 471 470 A 70 ASN H A 70 ASN HBx 1.0 0.0 4.07 472 471 A 70 ASN HBx A 71 LYS H 1.0 0.0 4.88 473 472 A 70 ASN H A 70 ASN HBy 1.0 0.0 4.68 474 473 A 71 LYS H A 70 ASN HBy 1.0 0.0 4.84 475 474 A 70 ASN HBx A 70 ASN HD22 1.0 0.0 5.16 476 475 A 70 ASN H A 70 ASN HA 1.0 0.0 4.03 477 476 A 71 LYS H A 70 ASN HA 1.0 0.0 3.57 478 477 A 70 ASN H A 71 LYS H 1.0 0.0 4.36 479 478 A 71 LYS H A 71 LYS HA 1.0 0.0 3.85 480 479 A 74 PRO HA A 75 ILE H 1.0 0.0 3.44 481 480 A 29 ILE H A 42 ASN HA 1.0 0.0 4.44 482 481 A 52 TRP HD1 A 53 ASN HD22 1.0 0.0 4.95 483 482 A 61 VAL HG2% A 74 PRO HDx 1.0 0.0 4.76 484 483 A 58 TYR HD% A 49 TYR HE% 1.0 0.0 4.23 485 484 A 50 ASN HD22 A 49 TYR H 1.0 0.0 3.93 486 485 A 52 TRP HD1 A 53 ASN HD21 1.0 0.0 4.52 487 486 A 50 ASN HD22 A 58 TYR H 1.0 0.0 4.01 488 487 A 20 LEU HDy% A 21 PHE HBy 1.0 0.0 5.47 489 488 A 30 CYS HA A 66 CYS H 1.0 0.0 4.55 490 489 A 35 VAL HGy% A 37 GLN HE22 1.0 0.0 5.25 491 490 A 37 GLN HE21 A 35 VAL HGy% 1.0 0.0 5.48 492 491 A 27 ALA H A 26 TYR HBy 1.0 0.0 3.98 493 492 A 37 GLN HA A 32 THR HB 1.0 0.0 3.83 494 493 A 32 THR HG2% A 59 LYS H 1.0 0.0 4.67 495 494 A 18 CYS HBx A 20 LEU H 1.0 0.0 4.83 496 495 A 31 ALA H A 61 VAL H 1.0 0.0 4.65 497 496 A 46 LEU HDx% A 60 GLU H 1.0 0.0 4.57 498 497 A 52 TRP HZ3 A 53 ASN HD21 1.0 0.0 4.40 499 498 A 66 CYS H A 39 THR HG2% 1.0 0.0 4.12 500 499 A 52 TRP HZ3 A 53 ASN HD22 1.0 0.0 4.95 501 500 A 32 THR H A 59 LYS H 1.0 0.0 3.31 502 501 A 48 VAL HGy% A 52 TRP HE1 1.0 0.0 3.77 503 502 A 19 GLN H A 19 GLN HGy 1.0 0.0 3.53 504 503 A 37 GLN HA A 61 VAL HG2% 1.0 0.0 5.71 505 504 A 32 THR H A 74 PRO HDx 1.0 0.0 4.31 506 505 A 19 GLN H A 20 LEU H 1.0 0.0 3.78 507 506 A 47 LYS H A 47 LYS HDy 1.0 0.0 3.58 508 507 A 52 TRP H A 53 ASN HD22 1.0 0.0 4.74 509 508 A 30 CYS HB3 A 62 LYS H 1.0 0.0 3.54 510 509 A 30 CYS H A 62 LYS HBx 1.0 0.0 4.30 511 510 A 46 LEU HDy% A 58 TYR H 1.0 0.0 4.81 512 511 A 50 ASN HD21 A 58 TYR H 1.0 0.0 4.15 513 512 A 25 ILE H A 42 ASN HBy 1.0 0.0 4.77 514 513 A 58 TYR HE% A 49 TYR HE% 1.0 0.0 4.97 515 514 A 61 VAL H A 74 PRO HDx 1.0 0.0 3.50 516 515 A 46 LEU HDy% A 48 VAL HGx% 1.0 0.0 5.43 517 516 A 49 TYR HBx A 50 ASN HD22 1.0 0.0 3.55 518 517 A 38 ARG H A 32 THR HA 1.0 0.0 3.89 519 518 A 62 LYS H A 31 ALA HA 1.0 0.0 4.07 520 519 A 18 CYS HBy A 20 LEU H 1.0 0.0 4.60 521 520 A 20 LEU HDx% A 21 PHE HBy 1.0 0.0 5.16 522 521 A 38 ARG H A 33 ASP H 1.0 0.0 5.02 523 522 A 48 VAL HB A 52 TRP HE1 1.0 0.0 4.87 524 523 A 42 ASN HD21 A 41 SER HA 1.0 0.0 5.11 525 524 A 52 TRP HBx A 53 ASN HD21 1.0 0.0 4.38 526 525 A 52 TRP HE3 A 53 ASN H 1.0 0.0 4.01 527 526 A 23 PRO HDx A 44 CYS H 1.0 0.0 4.08 528 527 A 52 TRP HBy A 53 ASN HD22 1.0 0.0 4.49 529 528 A 66 CYS H A 65 GLU HGy 1.0 0.0 4.00 530 529 A 18 CYS H A 19 GLN HBy 1.0 0.0 4.34 531 530 A 47 LYS H A 46 LEU HG 1.0 0.0 3.83 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 17 ASP C A 18 CYS N A 18 CYS CA A 18 CYS C 1.0 -156.35 -115.45 PHI 2 2 A 18 CYS N A 18 CYS CA A 18 CYS C A 19 GLN N 1.0 132.29 180.91 PSI 3 3 A 18 CYS C A 19 GLN N A 19 GLN CA A 19 GLN C 1.0 -131.71 -42.37 PHI 4 4 A 19 GLN N A 19 GLN CA A 19 GLN C A 20 LEU N 1.0 109.52 159.16 PSI 5 5 A 20 LEU C A 21 PHE N A 21 PHE CA A 21 PHE C 1.0 -144.03 -67.31 PHI 6 6 A 21 PHE N A 21 PHE CA A 21 PHE C A 22 CYS N 1.0 97.91 147.53 PSI 7 7 A 22 CYS C A 23 PRO N A 23 PRO CA A 23 PRO C 1.0 -85.19 -49.85 PHI 8 8 A 23 PRO N A 23 PRO CA A 23 PRO C A 24 MET N 1.0 124.67 168.97 PSI 9 9 A 23 PRO C A 24 MET N A 24 MET CA A 24 MET C 1.0 -130.58 -56.70 PHI 10 10 A 24 MET N A 24 MET CA A 24 MET C A 25 ILE N 1.0 92.80 153.64 PSI 11 11 A 24 MET C A 25 ILE N A 25 ILE CA A 25 ILE C 1.0 -150.00 -107.70 PHI 12 12 A 25 ILE N A 25 ILE CA A 25 ILE C A 26 TYR N 1.0 115.00 151.78 PSI 13 13 A 25 ILE C A 26 TYR N A 26 TYR CA A 26 TYR C 1.0 -125.00 -83.76 PHI 14 14 A 26 TYR N A 26 TYR CA A 26 TYR C A 27 ALA N 1.0 100.00 141.96 PSI 15 15 A 26 TYR C A 27 ALA N A 27 ALA CA A 27 ALA C 1.0 -130.89 -31.51 PHI 16 16 A 27 ALA N A 27 ALA CA A 27 ALA C A 28 PRO N 1.0 89.11 185.37 PSI 17 17 A 28 PRO C A 29 ILE N A 29 ILE CA A 29 ILE C 1.0 -163.06 -124.82 PHI 18 18 A 29 ILE N A 29 ILE CA A 29 ILE C A 30 CYS N 1.0 126.13 171.15 PSI 19 19 A 29 ILE C A 30 CYS N A 30 CYS CA A 30 CYS C 1.0 -153.47 -79.03 PHI 20 20 A 30 CYS N A 30 CYS CA A 30 CYS C A 31 ALA N 1.0 106.91 141.07 PSI 21 21 A 30 CYS C A 31 ALA N A 31 ALA CA A 31 ALA C 1.0 -154.16 -109.04 PHI 22 22 A 31 ALA N A 31 ALA CA A 31 ALA C A 32 THR N 1.0 108.89 166.53 PSI 23 23 A 31 ALA C A 32 THR N A 32 THR CA A 32 THR C 1.0 -142.80 -106.58 PHI 24 24 A 32 THR N A 32 THR CA A 32 THR C A 33 ASP N 1.0 90.04 161.00 PSI 25 25 A 32 THR C A 33 ASP N A 33 ASP CA A 33 ASP C 1.0 -149.90 -66.10 PHI 26 26 A 33 ASP C A 34 GLY N A 34 GLY CA A 34 GLY C 1.0 51.62 135.02 PHI 27 27 A 34 GLY N A 34 GLY CA A 34 GLY C A 35 VAL N 1.0 -55.72 42.38 PSI 28 28 A 34 GLY C A 35 VAL N A 35 VAL CA A 35 VAL C 1.0 -93.06 -54.02 PHI 29 29 A 35 VAL N A 35 VAL CA A 35 VAL C A 36 SER N 1.0 114.47 163.19 PSI 30 30 A 35 VAL C A 36 SER N A 36 SER CA A 36 SER C 1.0 -148.81 -57.83 PHI 31 31 A 36 SER N A 36 SER CA A 36 SER C A 37 GLN N 1.0 116.74 166.20 PSI 32 32 A 36 SER C A 37 GLN N A 37 GLN CA A 37 GLN C 1.0 -141.90 -80.02 PHI 33 33 A 37 GLN N A 37 GLN CA A 37 GLN C A 38 ARG N 1.0 100.85 175.51 PSI 34 34 A 37 GLN C A 38 ARG N A 38 ARG CA A 38 ARG C 1.0 -172.46 -102.64 PHI 35 35 A 38 ARG N A 38 ARG CA A 38 ARG C A 39 THR N 1.0 111.03 154.09 PSI 36 36 A 38 ARG C A 39 THR N A 39 THR CA A 39 THR C 1.0 -124.99 -78.41 PHI 37 37 A 39 THR N A 39 THR CA A 39 THR C A 40 PHE N 1.0 108.50 153.34 PSI 38 38 A 39 THR C A 40 PHE N A 40 PHE CA A 40 PHE C 1.0 -115.25 -66.71 PHI 39 39 A 40 PHE N A 40 PHE CA A 40 PHE C A 41 SER N 1.0 92.26 203.38 PSI 40 40 A 40 PHE C A 41 SER N A 41 SER CA A 41 SER C 1.0 -114.37 -15.95 PHI 41 41 A 41 SER N A 41 SER CA A 41 SER C A 42 ASN N 1.0 -58.97 -4.49 PSI 42 42 A 44 CYS C A 45 ASP N A 45 ASP CA A 45 ASP C 1.0 -69.97 -54.75 PHI 43 43 A 45 ASP N A 45 ASP CA A 45 ASP C A 46 LEU N 1.0 -53.86 -25.26 PSI 44 44 A 45 ASP C A 46 LEU N A 46 LEU CA A 46 LEU C 1.0 -83.90 -56.18 PHI 45 45 A 46 LEU N A 46 LEU CA A 46 LEU C A 47 LYS N 1.0 -50.93 -25.13 PSI 46 46 A 46 LEU C A 47 LYS N A 47 LYS CA A 47 LYS C 1.0 -74.89 -56.17 PHI 47 47 A 47 LYS N A 47 LYS CA A 47 LYS C A 48 VAL N 1.0 -47.55 -35.01 PSI 48 48 A 47 LYS C A 48 VAL N A 48 VAL CA A 48 VAL C 1.0 -70.34 -54.64 PHI 49 49 A 48 VAL N A 48 VAL CA A 48 VAL C A 49 TYR N 1.0 -50.55 -36.19 PSI 50 50 A 48 VAL C A 49 TYR N A 49 TYR CA A 49 TYR C 1.0 -72.45 -52.89 PHI 51 51 A 49 TYR N A 49 TYR CA A 49 TYR C A 50 ASN N 1.0 -54.90 -26.34 PSI 52 52 A 49 TYR C A 50 ASN N A 50 ASN CA A 50 ASN C 1.0 -73.26 -57.58 PHI 53 53 A 50 ASN N A 50 ASN CA A 50 ASN C A 51 CYS N 1.0 -48.88 -32.58 PSI 54 54 A 50 ASN C A 51 CYS N A 51 CYS CA A 51 CYS C 1.0 -83.46 -47.06 PHI 55 55 A 51 CYS N A 51 CYS CA A 51 CYS C A 52 TRP N 1.0 -64.90 -11.22 PSI 56 56 A 53 ASN C A 54 PRO N A 54 PRO CA A 54 PRO C 1.0 -70.94 -46.76 PHI 57 57 A 54 PRO N A 54 PRO CA A 54 PRO C A 55 ASP N 1.0 -38.21 -9.41 PSI 58 58 A 54 PRO C A 55 ASP N A 55 ASP CA A 55 ASP C 1.0 -108.05 -62.43 PHI 59 59 A 55 ASP N A 55 ASP CA A 55 ASP C A 56 ASN N 1.0 -30.50 23.20 PSI 60 60 A 56 ASN C A 57 PRO N A 57 PRO CA A 57 PRO C 1.0 -81.71 -53.11 PHI 61 61 A 57 PRO N A 57 PRO CA A 57 PRO C A 58 TYR N 1.0 125.09 170.35 PSI 62 62 A 57 PRO C A 58 TYR N A 58 TYR CA A 58 TYR C 1.0 -135.68 -66.40 PHI 63 63 A 58 TYR N A 58 TYR CA A 58 TYR C A 59 LYS N 1.0 119.22 173.94 PSI 64 64 A 58 TYR C A 59 LYS N A 59 LYS CA A 59 LYS C 1.0 -144.71 -98.19 PHI 65 65 A 59 LYS N A 59 LYS CA A 59 LYS C A 60 GLU N 1.0 114.43 161.13 PSI 66 66 A 59 LYS C A 60 GLU N A 60 GLU CA A 60 GLU C 1.0 -97.17 -53.45 PHI 67 67 A 60 GLU N A 60 GLU CA A 60 GLU C A 61 VAL N 1.0 115.93 139.71 PSI 68 68 A 60 GLU C A 61 VAL N A 61 VAL CA A 61 VAL C 1.0 -114.79 -70.11 PHI 69 69 A 61 VAL N A 61 VAL CA A 61 VAL C A 62 LYS N 1.0 -45.60 -9.60 PSI 70 70 A 61 VAL C A 62 LYS N A 62 LYS CA A 62 LYS C 1.0 -204.69 -95.17 PHI 71 71 A 62 LYS N A 62 LYS CA A 62 LYS C A 63 VAL N 1.0 127.03 172.03 PSI 72 72 A 62 LYS C A 63 VAL N A 63 VAL CA A 63 VAL C 1.0 -167.59 -40.35 PHI 73 73 A 63 VAL N A 63 VAL CA A 63 VAL C A 64 GLY N 1.0 105.91 175.91 PSI 74 74 A 64 GLY C A 65 GLU N A 65 GLU CA A 65 GLU C 1.0 -127.25 -50.71 PHI 75 75 A 65 GLU N A 65 GLU CA A 65 GLU C A 66 CYS N 1.0 105.83 160.03 PSI 76 76 A 66 CYS C A 67 ASP N A 67 ASP CA A 67 ASP C 1.0 -148.28 -31.22 PHI 77 77 A 67 ASP N A 67 ASP CA A 67 ASP C A 68 ASP N 1.0 76.60 174.08 PSI 78 78 A 68 ASP C A 69 ALA N A 69 ALA CA A 69 ALA C 1.0 -109.64 -41.58 PHI 79 79 A 69 ALA N A 69 ALA CA A 69 ALA C A 70 ASN N 1.0 -68.18 13.60 PSI 80 80 A 19 GLN C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -160.00 -70.18 PHI 81 81 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 PHE N 1.0 100.00 192.86 PSI 82 82 A 42 ASN C A 43 PRO N A 43 PRO CA A 43 PRO C 1.0 -105.00 -45.20 PHI 83 83 A 43 PRO N A 43 PRO CA A 43 PRO C A 44 CYS N 1.0 -70.00 1.30 PSI 84 84 A 43 PRO C A 44 CYS N A 44 CYS CA A 44 CYS C 1.0 -100.00 -20.12 PHI 85 85 A 44 CYS N A 44 CYS CA A 44 CYS C A 45 ASP N 1.0 -70.00 -14.44 PSI 86 86 A 51 CYS C A 52 TRP N A 52 TRP CA A 52 TRP C 1.0 -100.00 -39.08 PHI 87 87 A 52 TRP N A 52 TRP CA A 52 TRP C A 53 ASN N 1.0 -70.00 17.90 PSI 88 88 A 63 VAL C A 64 GLY N A 64 GLY CA A 64 GLY C 1.0 -180.00 -102.74 PHI 89 89 A 64 GLY N A 64 GLY CA A 64 GLY C A 65 GLU N 1.0 130.00 197.72 PSI 90 90 A 65 GLU C A 66 CYS N A 66 CYS CA A 66 CYS C 1.0 -170.00 -75.12 PHI 91 91 A 66 CYS N A 66 CYS CA A 66 CYS C A 67 ASP N 1.0 110.00 189.84 PSI 92 92 A 67 ASP C A 68 ASP N A 68 ASP CA A 68 ASP C 1.0 -100.00 -49.96 PHI 93 93 A 68 ASP N A 68 ASP CA A 68 ASP C A 69 ALA N 1.0 -50.00 19.98 PSI 94 94 A 69 ALA C A 70 ASN N A 70 ASN CA A 70 ASN C 1.0 -100.00 -15.80 PHI 95 95 A 70 ASN N A 70 ASN CA A 70 ASN C A 71 LYS N 1.0 110.00 180.18 PSI 96 96 A 70 ASN C A 71 LYS N A 71 LYS CA A 71 LYS C 1.0 -110.00 -30.88 PHI 97 97 A 71 LYS N A 71 LYS CA A 71 LYS C A 72 PRO N 1.0 110.00 182.20 PSI 98 98 A 21 PHE C A 22 CYS N A 22 CYS CA A 22 CYS C 1.0 -139.70 -70.10 PHI 99 99 A 22 CYS N A 22 CYS CA A 22 CYS C A 23 PRO N 1.0 79.50 142.10 PSI 100 100 A 27 ALA C A 28 PRO N A 28 PRO CA A 28 PRO C 1.0 -149.80 2.20 PHI 101 101 A 28 PRO N A 28 PRO CA A 28 PRO C A 29 ILE N 1.0 100.10 189.10 PSI stop_ save_