data_nef_c25302_2mw7 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2MW7 stop_ 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 4 CYS SG 1 12 CYS SG 1 11 CYS SG 1 27 CYS SG 1 21 CYS SG 1 34 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 ASP start . . 2 A 2 GLY middle . false 3 A 3 GLU middle . . 4 A 4 CYS middle -HG . 5 A 5 GLY middle . false 6 A 6 ASP middle . . 7 A 7 LYS middle . . 8 A 8 ASP middle . . 9 A 9 GLU middle . . 10 A 10 PRO middle . false 11 A 11 CYS middle -HG . 12 A 12 CYS middle -HG . 13 A 13 GLY middle . false 14 A 14 ARG middle . . 15 A 15 PRO middle . false 16 A 16 ASP middle . . 17 A 17 GLY middle . false 18 A 18 ALA middle . . 19 A 19 LYS middle . . 20 A 20 VAL middle . . 21 A 21 CYS middle -HG . 22 A 22 ASN middle . . 23 A 23 ASP middle . . 24 A 24 PRO middle . true 25 A 25 TRP middle . . 26 A 26 VAL middle . . 27 A 27 CYS middle -HG . 28 A 28 ILE middle . . 29 A 29 LEU middle . . 30 A 30 THR middle . . 31 A 31 SER middle . . 32 A 32 SER middle . . 33 A 33 ARG middle . . 34 A 34 CYS middle -HG . 35 A 35 GLU middle . . 36 A 36 ASN middle . . 37 A 37 PRO end . false stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 ASP HA H 1 4.207 0.012 A 1 ASP HBx H 1 2.616 0.024 A 1 ASP HBy H 1 2.687 0.03 A 1 ASP C C 13 173.081 0.05 A 1 ASP CA C 13 53.618 0.098 A 1 ASP CB C 13 39.653 0.133 A 2 GLY H H 1 8.599 0.015 A 2 GLY HAx H 1 3.762 0.018 A 2 GLY HAy H 1 3.927 0.023 A 2 GLY C C 13 173.848 0.031 A 2 GLY CA C 13 45.179 0.1 A 2 GLY N N 15 109.171 0.091 A 3 GLU H H 1 8.477 0.014 A 3 GLU HA H 1 4.115 0.011 A 3 GLU HBx H 1 1.808 0.033 A 3 GLU HBy H 1 1.848 0.028 A 3 GLU HGx H 1 2.151 0.016 A 3 GLU HGy H 1 2.227 0.023 A 3 GLU C C 13 175.221 0.05 A 3 GLU CA C 13 57.148 0.058 A 3 GLU CB C 13 29.301 0.061 A 3 GLU CG C 13 35.905 0.111 A 3 GLU N N 15 120.814 0.105 A 4 CYS H H 1 8.050 0.01 A 4 CYS HA H 1 4.906 0.015 A 4 CYS HB2 H 1 2.869 0.022 A 4 CYS HB3 H 1 2.944 0.024 A 4 CYS C C 13 174.789 0.038 A 4 CYS CA C 13 54.123 0.091 A 4 CYS CB C 13 46.590 0.11 A 4 CYS N N 15 115.823 0.095 A 5 GLY H H 1 8.272 0.02 A 5 GLY HAx H 1 3.949 0.018 A 5 GLY HAy H 1 4.295 0.015 A 5 GLY C C 13 173.331 0.027 A 5 GLY CA C 13 47.689 0.109 A 5 GLY N N 15 105.602 0.077 A 6 ASP H H 1 7.399 0.038 A 6 ASP HA H 1 5.176 0.013 A 6 ASP HB2 H 1 2.377 0.009 A 6 ASP HB3 H 1 2.055 0.006 A 6 ASP C C 13 174.303 0.003 A 6 ASP CA C 13 51.824 0.068 A 6 ASP CB C 13 41.453 0.078 A 6 ASP N N 15 119.525 0.122 A 7 LYS HA H 1 2.390 0.013 A 7 LYS HBy H 1 0.732 0.015 A 7 LYS HBx H 1 -0.358 0.02 A 7 LYS HDy H 1 1.236 0.012 A 7 LYS HDx H 1 0.899 0.013 A 7 LYS HEy H 1 2.860 0.002 A 7 LYS HEx H 1 2.744 0.025 A 7 LYS HGy H 1 0.810 0.009 A 7 LYS HGx H 1 0.367 0.012 A 7 LYS C C 13 176.491 0.036 A 7 LYS CA C 13 57.908 0.087 A 7 LYS CB C 13 31.315 0.096 A 7 LYS CD C 13 28.452 0.067 A 7 LYS CE C 13 42.096 0.207 A 7 LYS CG C 13 24.588 0.066 A 8 ASP H H 1 8.763 0.013 A 8 ASP HA H 1 3.973 0.018 A 8 ASP HBx H 1 2.739 0.02 A 8 ASP HBy H 1 2.882 0.022 A 8 ASP C C 13 174.603 0.023 A 8 ASP CA C 13 56.600 0.101 A 8 ASP CB C 13 39.126 0.051 A 8 ASP N N 15 118.123 0.101 A 9 GLU H H 1 7.842 0.017 A 9 GLU HA H 1 4.467 0.015 A 9 GLU HBx H 1 1.880 0.01 A 9 GLU HBy H 1 2.001 0.006 A 9 GLU HGx H 1 1.933 0.004 A 9 GLU HGy H 1 2.121 0.003 A 9 GLU C C 13 172.723 0.023 A 9 GLU CA C 13 53.456 0.086 A 9 GLU CB C 13 27.509 0.077 A 9 GLU CG C 13 33.592 0.018 A 9 GLU N N 15 119.080 0.093 A 10 PRO HA H 1 4.888 0.016 A 10 PRO HBy H 1 2.372 0.012 A 10 PRO HBx H 1 1.623 0.011 A 10 PRO HDx H 1 3.624 0.017 A 10 PRO HDy H 1 3.649 0.02 A 10 PRO HGx H 1 1.818 0.012 A 10 PRO HGy H 1 2.010 0.009 A 10 PRO C C 13 175.963 0.079 A 10 PRO CA C 13 62.124 0.035 A 10 PRO CB C 13 32.371 0.032 A 10 PRO CD C 13 50.469 0.033 A 10 PRO CG C 13 28.169 0.05 A 11 CYS H H 1 7.440 0.014 A 11 CYS HA H 1 4.394 0.012 A 11 CYS HBx H 1 2.884 0.016 A 11 CYS HBy H 1 2.885 0.016 A 11 CYS C C 13 175.560 0.033 A 11 CYS CA C 13 55.442 0.06 A 11 CYS CB C 13 40.671 0.113 A 11 CYS N N 15 117.256 0.047 A 12 CYS H H 1 9.249 0.011 A 12 CYS HA H 1 4.628 0.013 A 12 CYS HB2 H 1 3.048 0.013 A 12 CYS HB3 H 1 2.551 0.012 A 12 CYS C C 13 174.330 0.067 A 12 CYS CA C 13 53.235 0.058 A 12 CYS CB C 13 40.251 0.045 A 12 CYS N N 15 122.475 0.085 A 13 GLY H H 1 8.676 0.008 A 13 GLY HAx H 1 3.585 0.01 A 13 GLY HAy H 1 4.545 0.014 A 13 GLY C C 13 173.730 0.05 A 13 GLY CA C 13 44.775 0.108 A 13 GLY N N 15 110.237 0.13 A 14 ARG H H 1 8.255 0.014 A 14 ARG HA H 1 4.669 0.009 A 14 ARG HBx H 1 1.733 0.018 A 14 ARG HBy H 1 1.835 0.019 A 14 ARG HD2 H 1 3.072 0.009 A 14 ARG HD3 H 1 3.072 0.009 A 14 ARG HGy H 1 1.569 0.023 A 14 ARG HGx H 1 1.473 0.027 A 14 ARG HH11 H 1 7.361 0.004 A 14 ARG HH12 H 1 7.505 0.002 A 14 ARG HH21 H 1 6.751 0.016 A 14 ARG HH22 H 1 6.602 0.017 A 14 ARG C C 13 176.773 0.003 A 14 ARG CA C 13 53.641 0.026 A 14 ARG CB C 13 31.731 0.023 A 14 ARG CD C 13 43.164 0.047 A 14 ARG CG C 13 26.855 0.072 A 14 ARG N N 15 123.065 0.069 A 14 ARG NH1 N 15 84.127 0.02 A 14 ARG NH2 N 15 71.603 0.053 A 15 PRO HA H 1 4.223 0.009 A 15 PRO HBy H 1 2.272 0.009 A 15 PRO HBx H 1 1.816 0.01 A 15 PRO HDx H 1 3.591 0.013 A 15 PRO HDy H 1 3.740 0.011 A 15 PRO HGx H 1 1.860 0.01 A 15 PRO HGy H 1 1.968 0.022 A 15 PRO C C 13 176.628 0.047 A 15 PRO CA C 13 65.242 0.02 A 15 PRO CB C 13 31.726 0.033 A 15 PRO CD C 13 50.882 0.036 A 15 PRO CG C 13 27.504 0.034 A 16 ASP H H 1 7.732 0.014 A 16 ASP HA H 1 4.374 0.008 A 16 ASP HB2 H 1 2.493 0.012 A 16 ASP HB3 H 1 2.848 0.008 A 16 ASP C C 13 176.667 0.037 A 16 ASP CA C 13 53.356 0.047 A 16 ASP CB C 13 39.558 0.041 A 16 ASP N N 15 113.958 0.066 A 17 GLY H H 1 8.123 0.013 A 17 GLY HAx H 1 3.599 0.017 A 17 GLY HAy H 1 4.158 0.017 A 17 GLY C C 13 174.120 0.061 A 17 GLY CA C 13 44.601 0.087 A 17 GLY N N 15 108.298 0.085 A 18 ALA H H 1 7.572 0.014 A 18 ALA HA H 1 4.150 0.01 A 18 ALA HB% H 1 1.219 0.012 A 18 ALA C C 13 176.098 0.03 A 18 ALA CA C 13 52.340 0.068 A 18 ALA CB C 13 19.226 0.055 A 18 ALA N N 15 123.792 0.083 A 19 LYS H H 1 7.970 0.008 A 19 LYS HA H 1 5.051 0.016 A 19 LYS HB2 H 1 1.623 0.027 A 19 LYS HB3 H 1 1.547 0.015 A 19 LYS HDx H 1 1.379 0.022 A 19 LYS HDy H 1 1.465 0.023 A 19 LYS HE3 H 1 2.809 0.007 A 19 LYS HGx H 1 1.190 0.01 A 19 LYS HGy H 1 1.359 0.014 A 19 LYS C C 13 176.655 0.055 A 19 LYS CA C 13 54.505 0.068 A 19 LYS CB C 13 35.815 0.065 A 19 LYS CD C 13 29.239 0.089 A 19 LYS CE C 13 42.136 0.115 A 19 LYS CG C 13 24.951 0.023 A 19 LYS N N 15 119.628 0.038 A 20 VAL H H 1 8.757 0.011 A 20 VAL HA H 1 4.617 0.01 A 20 VAL HB H 1 1.983 0.014 A 20 VAL HGx% H 1 0.679 0.013 A 20 VAL HGy% H 1 0.609 0.01 A 20 VAL C C 13 174.216 0.046 A 20 VAL CA C 13 60.059 0.06 A 20 VAL CB C 13 36.562 0.057 A 20 VAL CGy C 13 21.188 0.032 A 20 VAL CGx C 13 19.055 0.031 A 20 VAL N N 15 116.531 0.078 A 21 CYS H H 1 8.386 0.007 A 21 CYS HA H 1 4.852 0.013 A 21 CYS HB2 H 1 2.513 0.022 A 21 CYS HB3 H 1 3.190 0.025 A 21 CYS C C 13 172.912 0.028 A 21 CYS CA C 13 55.011 0.056 A 21 CYS CB C 13 46.324 0.071 A 21 CYS N N 15 119.357 0.045 A 22 ASN H H 1 9.693 0.018 A 22 ASN HA H 1 4.513 0.009 A 22 ASN HBy H 1 2.781 0.011 A 22 ASN HBx H 1 2.775 0.011 A 22 ASN HD21 H 1 6.977 0.009 A 22 ASN HD22 H 1 7.764 0.015 A 22 ASN C C 13 174.084 0.054 A 22 ASN CA C 13 52.542 0.06 A 22 ASN CB C 13 37.943 0.092 A 22 ASN N N 15 121.561 0.056 A 22 ASN ND2 N 15 114.485 0.092 A 23 ASP H H 1 8.321 0.009 A 23 ASP HA H 1 4.309 0.009 A 23 ASP HB2 H 1 2.321 0.011 A 23 ASP HB3 H 1 2.321 0.011 A 23 ASP C C 13 174.448 0.02 A 23 ASP CA C 13 53.330 0.035 A 23 ASP CB C 13 40.200 0.064 A 23 ASP N N 15 121.712 0.095 A 24 PRO HA H 1 4.365 0.009 A 24 PRO HBx H 1 1.475 0.01 A 24 PRO HBy H 1 1.921 0.01 A 24 PRO HDx H 1 1.338 0.014 A 24 PRO HDy H 1 2.658 0.01 A 24 PRO HGx H 1 -0.122 0.016 A 24 PRO HGy H 1 1.146 0.009 A 24 PRO C C 13 174.513 0.022 A 24 PRO CA C 13 63.625 0.016 A 24 PRO CB C 13 32.867 0.033 A 24 PRO CD C 13 48.170 0.021 A 24 PRO CG C 13 22.865 0.054 A 25 TRP H H 1 8.334 0.014 A 25 TRP HA H 1 4.710 0.031 A 25 TRP HBx H 1 3.043 0.014 A 25 TRP HBy H 1 3.098 0.033 A 25 TRP HD1 H 1 7.112 0.004 A 25 TRP HE1 H 1 9.996 0.007 A 25 TRP HE3 H 1 7.403 0.000 A 25 TRP HH2 H 1 7.107 0.000 A 25 TRP HZ2 H 1 7.420 0.023 A 25 TRP HZ3 H 1 7.096 0.000 A 25 TRP C C 13 174.307 0.027 A 25 TRP CA C 13 56.733 0.059 A 25 TRP CB C 13 30.051 0.158 A 25 TRP CD1 C 13 124.591 0.000 A 25 TRP CE3 C 13 114.875 0.000 A 25 TRP CH2 C 13 124.591 0.000 A 25 TRP CZ2 C 13 114.959 0.000 A 25 TRP CZ3 C 13 121.817 0.000 A 25 TRP N N 15 125.765 0.051 A 25 TRP NE1 N 15 128.633 0.049 A 26 VAL H H 1 8.952 0.014 A 26 VAL HA H 1 4.371 0.01 A 26 VAL HB H 1 1.871 0.009 A 26 VAL HGx% H 1 0.800 0.012 A 26 VAL HGy% H 1 0.737 0.015 A 26 VAL C C 13 174.295 0.074 A 26 VAL CA C 13 59.163 0.062 A 26 VAL CB C 13 35.278 0.034 A 26 VAL CGy C 13 21.333 0.018 A 26 VAL CGx C 13 19.531 0.062 A 26 VAL N N 15 114.147 0.108 A 27 CYS H H 1 8.747 0.006 A 27 CYS HA H 1 4.365 0.015 A 27 CYS HB2 H 1 2.609 0.015 A 27 CYS HB3 H 1 2.779 0.014 A 27 CYS C C 13 174.268 0.099 A 27 CYS CA C 13 56.656 0.052 A 27 CYS CB C 13 39.867 0.043 A 27 CYS N N 15 122.366 0.187 A 28 ILE H H 1 8.763 0.017 A 28 ILE HA H 1 4.132 0.014 A 28 ILE HB H 1 2.284 0.018 A 28 ILE HD1% H 1 0.596 0.011 A 28 ILE HG1x H 1 1.217 0.021 A 28 ILE HG1y H 1 1.581 0.011 A 28 ILE HG2% H 1 0.886 0.013 A 28 ILE C C 13 177.492 0.031 A 28 ILE CA C 13 58.495 0.086 A 28 ILE CB C 13 34.518 0.104 A 28 ILE CD1 C 13 9.243 0.069 A 28 ILE CG1 C 13 26.518 0.112 A 28 ILE CG2 C 13 17.604 0.045 A 28 ILE N N 15 133.803 0.079 A 29 LEU H H 1 8.452 0.009 A 29 LEU HA H 1 3.867 0.011 A 29 LEU HB2 H 1 1.689 0.014 A 29 LEU HB3 H 1 1.442 0.01 A 29 LEU HDx% H 1 0.853 0.011 A 29 LEU HDy% H 1 0.742 0.012 A 29 LEU HG H 1 1.634 0.016 A 29 LEU C C 13 179.282 0.076 A 29 LEU CA C 13 58.044 0.055 A 29 LEU CB C 13 41.222 0.046 A 29 LEU CDy C 13 24.797 0.041 A 29 LEU CDx C 13 22.856 0.017 A 29 LEU CG C 13 26.975 0.036 A 29 LEU N N 15 128.360 0.05 A 30 THR H H 1 7.589 0.012 A 30 THR HA H 1 3.929 0.01 A 30 THR HB H 1 4.081 0.01 A 30 THR HG2% H 1 1.155 0.011 A 30 THR C C 13 175.393 0.036 A 30 THR CA C 13 64.119 0.06 A 30 THR CB C 13 67.994 0.064 A 30 THR CG2 C 13 22.238 0.078 A 30 THR N N 15 108.140 0.059 A 31 SER H H 1 7.002 0.02 A 31 SER HA H 1 4.446 0.01 A 31 SER HB2 H 1 3.590 0.009 A 31 SER HB3 H 1 3.692 0.009 A 31 SER C C 13 174.912 0.085 A 31 SER CA C 13 56.859 0.075 A 31 SER CB C 13 64.760 0.102 A 31 SER N N 15 112.240 0.096 A 32 SER H H 1 8.558 0.013 A 32 SER HA H 1 3.604 0.01 A 32 SER HB2 H 1 3.696 0.014 A 32 SER HB3 H 1 4.153 0.007 A 32 SER C C 13 174.998 0.031 A 32 SER CA C 13 59.523 0.069 A 32 SER CB C 13 62.111 0.083 A 32 SER N N 15 118.529 0.051 A 33 ARG H H 1 7.215 0.023 A 33 ARG HA H 1 4.824 0.016 A 33 ARG HB2 H 1 1.420 0.03 A 33 ARG HB3 H 1 1.334 0.023 A 33 ARG HD3 H 1 2.812 0.017 A 33 ARG HE H 1 7.014 0.019 A 33 ARG HGx H 1 1.234 0.009 A 33 ARG HGy H 1 1.395 0.015 A 33 ARG HH11 H 1 7.029 0.022 A 33 ARG HH12 H 1 6.884 0.023 A 33 ARG C C 13 175.115 0.107 A 33 ARG CA C 13 53.420 0.065 A 33 ARG CB C 13 34.536 0.055 A 33 ARG CD C 13 43.267 0.069 A 33 ARG CG C 13 26.820 0.05 A 33 ARG N N 15 117.830 0.655 A 33 ARG NH1 N 15 84.509 0.026 A 34 CYS H H 1 8.284 0.019 A 34 CYS HA H 1 5.060 0.013 A 34 CYS HB2 H 1 3.019 0.029 A 34 CYS HB3 H 1 2.239 0.016 A 34 CYS C C 13 175.041 0.047 A 34 CYS CA C 13 53.695 0.053 A 34 CYS CB C 13 41.109 0.101 A 34 CYS N N 15 120.813 0.093 A 35 GLU H H 1 9.226 0.016 A 35 GLU HA H 1 4.755 0.015 A 35 GLU HBx H 1 2.041 0.002 A 35 GLU HBy H 1 2.341 0.006 A 35 GLU C C 13 175.069 0.084 A 35 GLU CA C 13 54.341 0.000 A 35 GLU CB C 13 33.163 0.078 A 35 GLU CG C 13 37.845 0.000 A 35 GLU N N 15 123.396 0.187 A 36 ASN H H 1 8.540 0.011 A 36 ASN HA H 1 5.089 0.011 A 36 ASN HBx H 1 2.679 0.011 A 36 ASN HBy H 1 2.864 0.008 A 36 ASN HD21 H 1 6.922 0.011 A 36 ASN HD22 H 1 7.708 0.013 A 36 ASN C C 13 172.567 0.024 A 36 ASN CA C 13 52.454 0.061 A 36 ASN CB C 13 38.398 0.182 A 36 ASN N N 15 118.081 0.089 A 36 ASN ND2 N 15 113.033 0.029 A 37 PRO HA H 1 4.174 0.009 A 37 PRO HBy H 1 2.088 0.011 A 37 PRO HBx H 1 1.853 0.006 A 37 PRO HD2 H 1 3.783 0.013 A 37 PRO HD3 H 1 3.783 0.013 A 37 PRO HGx H 1 1.913 0.01 A 37 PRO HGy H 1 1.914 0.011 A 37 PRO C C 13 180.257 0.015 A 37 PRO CA C 13 64.432 0.023 A 37 PRO CB C 13 31.865 0.068 A 37 PRO CD C 13 50.290 0.037 A 37 PRO CG C 13 27.124 0.026 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 1 ASP HA A 2 GLY H 1.0 . 4.50 2 2 A 2 GLY H A 2 GLY HAx 1.0 . 3.50 3 3 A 2 GLY H A 2 GLY HAy 1.0 . 3.50 4 4 A 2 GLY HAx A 3 GLU H 1.0 . 4.00 5 5 A 2 GLY HAy A 3 GLU H 1.0 . 4.00 6 6 A 3 GLU H A 3 GLU HA 1.0 . 4.02 7 7 A 3 GLU H A 3 GLU HBx 1.0 . 4.50 8 8 A 3 GLU H A 3 GLU HGx 1.0 . 5.50 9 9 A 3 GLU H A 3 GLU HGy 1.0 . 5.50 10 10 A 3 GLU H A 4 CYS H 1.0 . 4.50 11 11 A 3 GLU HA A 4 CYS H 1.0 . 3.50 12 12 A 3 GLU HBx A 4 CYS H 1.0 . 6.00 13 13 A 4 CYS H A 3 GLU HBy 1.0 . 5.00 14 14 A 4 CYS H A 3 GLU HGy 1.0 . 6.00 15 15 A 4 CYS H A 10 PRO HGx 1.0 . 6.00 16 16 A 4 CYS H A 4 CYS HA 1.0 . 3.50 17 17 A 4 CYS H A 4 CYS HB2 1.0 . 5.50 18 18 A 4 CYS H A 4 CYS HB3 1.0 . 4.50 19 19 A 4 CYS HA A 5 GLY H 1.0 . 3.50 20 20 A 4 CYS HA A 6 ASP H 1.0 . 6.00 21 21 A 4 CYS HB2 A 5 GLY H 1.0 . 4.50 22 22 A 4 CYS HB3 A 5 GLY H 1.0 . 5.50 23 23 A 10 PRO HGx A 5 GLY H 1.0 . 4.80 24 24 A 5 GLY H A 11 CYS HA 1.0 . 5.00 25 25 A 5 GLY H A 6 ASP H 1.0 . 4.50 26 26 A 5 GLY H A 9 GLU HBy 1.0 . 5.00 27 27 A 5 GLY H A 9 GLU HGx 1.0 . 6.00 28 28 A 5 GLY HAx A 22 ASN H 1.0 . 4.50 29 29 A 5 GLY HAx A 22 ASN HD21 1.0 . 6.00 30 30 A 5 GLY HAx A 22 ASN HD22 1.0 . 6.00 31 31 A 5 GLY H A 5 GLY HAx 1.0 . 3.50 32 32 A 6 ASP H A 5 GLY HAx 1.0 . 5.00 33 33 A 5 GLY HAy A 12 CYS H 1.0 . 5.50 34 34 A 22 ASN H A 5 GLY HAy 1.0 . 4.50 35 35 A 5 GLY H A 5 GLY HAy 1.0 . 3.50 36 36 A 6 ASP H A 5 GLY HAy 1.0 . 5.50 37 37 A 6 ASP H A 6 ASP HA 1.0 . 3.50 38 38 A 6 ASP H A 6 ASP HB2 1.0 . 5.00 39 39 A 6 ASP H A 6 ASP HB3 1.0 . 4.00 40 40 A 6 ASP H A 9 GLU HBy 1.0 . 5.00 41 41 A 22 ASN HD21 A 6 ASP HA 1.0 . 5.50 42 42 A 6 ASP HA A 25 TRP HE1 1.0 . 5.00 43 43 A 25 TRP HE1 A 7 LYS HA 1.0 . 5.80 44 44 A 7 LYS HA A 8 ASP H 1.0 . 3.50 45 45 A 7 LYS HA A 9 GLU H 1.0 . 5.00 46 46 A 25 TRP HE1 A 7 LYS HBy 1.0 . 6.00 47 47 A 8 ASP H A 7 LYS HBy 1.0 . 6.00 48 48 A 25 TRP HE1 A 7 LYS HBx 1.0 . 5.00 49 49 A 8 ASP H A 7 LYS HBx 1.0 . 5.50 50 50 A 8 ASP H A 7 LYS HGy 1.0 . 5.00 51 51 A 8 ASP H A 7 LYS HGx 1.0 . 4.50 52 52 A 8 ASP H A 34 CYS H 1.0 . 5.50 53 53 A 8 ASP H A 34 CYS HB3 1.0 . 5.50 54 54 A 8 ASP H A 35 GLU HA 1.0 . 5.50 55 55 A 8 ASP H A 36 ASN H 1.0 . 5.50 56 56 A 8 ASP H A 8 ASP HA 1.0 . 3.50 57 57 A 8 ASP H A 8 ASP HBx 1.0 . 5.00 58 58 A 8 ASP H A 8 ASP HBy 1.0 . 4.50 59 59 A 8 ASP H A 9 GLU H 1.0 . 4.00 60 60 A 34 CYS H A 8 ASP HA 1.0 . 5.50 61 61 A 9 GLU H A 8 ASP HA 1.0 . 3.00 62 62 A 9 GLU H A 8 ASP HBx 1.0 . 5.50 63 63 A 9 GLU H A 8 ASP HBy 1.0 . 5.50 64 64 A 9 GLU H A 33 ARG HA 1.0 . 5.50 65 65 A 9 GLU H A 34 CYS H 1.0 . 3.50 66 66 A 9 GLU H A 34 CYS HB2 1.0 . 4.50 67 67 A 9 GLU H A 9 GLU HA 1.0 . 3.50 68 68 A 9 GLU H A 9 GLU HBx 1.0 . 4.50 69 69 A 9 GLU HBy A 9 GLU H 1.0 . 5.50 70 70 A 9 GLU HGx A 9 GLU H 1.0 . 5.50 71 71 A 9 GLU H A 9 GLU HGy 1.0 . 5.00 72 72 A 10 PRO HA A 11 CYS H 1.0 . 3.00 73 73 A 11 CYS H A 10 PRO HBy 1.0 . 4.50 74 74 A 34 CYS H A 10 PRO HBy 1.0 . 5.80 75 75 A 11 CYS H A 10 PRO HBx 1.0 . 5.00 76 76 A 11 CYS H A 10 PRO HDx 1.0 . 5.50 77 77 A 11 CYS HA A 11 CYS H 1.0 . 3.50 78 78 A 11 CYS H A 11 CYS HBy 1.0 . 4.50 79 79 A 11 CYS H A 32 SER HB2 1.0 . 5.50 80 80 A 33 ARG HA A 11 CYS H 1.0 . 4.00 81 81 A 34 CYS H A 11 CYS H 1.0 . 5.50 82 82 A 11 CYS HA A 12 CYS H 1.0 . 3.00 83 83 A 12 CYS H A 11 CYS HBx 1.0 . 4.00 84 83 A 12 CYS H A 11 CYS HBy 1.0 . 4.00 85 84 A 20 VAL H A 11 CYS HBx 1.0 . 5.00 86 84 A 11 CYS HBy A 20 VAL H 1.0 . 5.00 87 85 A 12 CYS H A 12 CYS HA 1.0 . 3.50 88 86 A 12 CYS H A 12 CYS HB2 1.0 . 4.50 89 87 A 12 CYS H A 12 CYS HB3 1.0 . 5.00 90 88 A 12 CYS H A 20 VAL H 1.0 . 3.50 91 89 A 12 CYS H A 21 CYS HA 1.0 . 5.50 92 90 A 12 CYS HA A 13 GLY H 1.0 . 3.00 93 91 A 12 CYS HB2 A 13 GLY H 1.0 . 5.00 94 92 A 20 VAL H A 12 CYS HB2 1.0 . 5.50 95 93 A 12 CYS HB3 A 13 GLY H 1.0 . 4.50 96 94 A 13 GLY H A 13 GLY HAx 1.0 . 3.50 97 95 A 13 GLY HAx A 14 ARG H 1.0 . 3.00 98 96 A 13 GLY H A 13 GLY HAy 1.0 . 3.50 99 97 A 14 ARG H A 13 GLY HAy 1.0 . 3.00 100 98 A 14 ARG H A 14 ARG HA 1.0 . 3.50 101 99 A 14 ARG H A 14 ARG HGy 1.0 . 5.00 102 100 A 14 ARG H A 14 ARG HGx 1.0 . 5.00 103 101 A 14 ARG H A 18 ALA H 1.0 . 3.50 104 102 A 14 ARG H A 18 ALA HB% 1.0 . 5.50 105 103 A 14 ARG H A 19 LYS HA 1.0 . 5.50 106 104 A 14 ARG H A 14 ARG HBx 1.0 . 3.50 107 105 A 14 ARG HBx A 16 ASP H 1.0 . 5.00 108 106 A 14 ARG HBx A 17 GLY H 1.0 . 5.50 109 107 A 18 ALA H A 14 ARG HBx 1.0 . 4.50 110 108 A 14 ARG H A 14 ARG HBy 1.0 . 5.00 111 109 A 18 ALA H A 14 ARG HBy 1.0 . 5.00 112 110 A 16 ASP H A 15 PRO HA 1.0 . 3.50 113 111 A 16 ASP H A 15 PRO HBy 1.0 . 4.50 114 112 A 16 ASP H A 15 PRO HBx 1.0 . 5.50 115 113 A 16 ASP H A 15 PRO HDx 1.0 . 5.00 116 114 A 16 ASP H A 15 PRO HGx 1.0 . 5.50 117 115 A 16 ASP H A 16 ASP HA 1.0 . 3.50 118 116 A 16 ASP H A 16 ASP HB2 1.0 . 5.00 119 117 A 16 ASP H A 16 ASP HB3 1.0 . 4.50 120 118 A 16 ASP H A 17 GLY H 1.0 . 3.50 121 119 A 17 GLY H A 16 ASP HA 1.0 . 3.50 122 120 A 21 CYS HB2 A 27 CYS H 1.0 . 5.00 123 121 A 17 GLY H A 17 GLY HAx 1.0 . 3.50 124 122 A 17 GLY H A 17 GLY HAy 1.0 . 3.50 125 123 A 18 ALA H A 17 GLY H 1.0 . 3.50 126 124 A 18 ALA H A 17 GLY HAx 1.0 . 4.00 127 125 A 18 ALA H A 17 GLY HAy 1.0 . 4.50 128 126 A 18 ALA H A 18 ALA HA 1.0 . 3.50 129 127 A 18 ALA HA A 19 LYS H 1.0 . 3.00 130 128 A 18 ALA H A 18 ALA HB% 1.0 . 3.50 131 129 A 18 ALA HB% A 19 LYS H 1.0 . 4.00 132 130 A 19 LYS H A 19 LYS HB2 1.0 . 4.00 133 131 A 19 LYS H A 19 LYS HB3 1.0 . 3.50 134 132 A 19 LYS H A 19 LYS HDx 1.0 . 5.00 135 133 A 19 LYS HA A 19 LYS H 1.0 . 3.50 136 134 A 20 VAL H A 19 LYS HA 1.0 . 3.00 137 135 A 20 VAL H A 19 LYS HB2 1.0 . 5.00 138 136 A 20 VAL H A 20 VAL HGx% 1.0 . 5.50 139 137 A 20 VAL H A 20 VAL HGy% 1.0 . 5.00 140 138 A 20 VAL H A 20 VAL HA 1.0 . 3.50 141 139 A 20 VAL HA A 21 CYS H 1.0 . 4.00 142 140 A 21 CYS H A 20 VAL HB 1.0 . 4.50 143 141 A 20 VAL HGx% A 21 CYS H 1.0 . 5.00 144 142 A 21 CYS HA A 21 CYS H 1.0 . 3.50 145 143 A 21 CYS HB2 A 21 CYS H 1.0 . 4.50 146 144 A 22 ASN H A 21 CYS HA 1.0 . 3.50 147 145 A 22 ASN H A 21 CYS HB2 1.0 . 4.50 148 146 A 22 ASN H A 21 CYS HB3 1.0 . 4.00 149 147 A 22 ASN H A 22 ASN HA 1.0 . 3.50 150 148 A 22 ASN H A 22 ASN HD21 1.0 . 5.50 151 149 A 22 ASN H A 22 ASN HD22 1.0 . 5.50 152 150 A 22 ASN H A 23 ASP H 1.0 . 5.50 153 151 A 22 ASN H A 25 TRP HD1 1.0 . 5.50 154 152 A 22 ASN H A 25 TRP HBy 1.0 . 5.00 155 152 A 22 ASN H A 25 TRP HBx 1.0 . 5.00 156 153 A 22 ASN HA A 23 ASP H 1.0 . 3.50 157 154 A 22 ASN H A 22 ASN HBy 1.0 . 4.00 158 155 A 22 ASN HD21 A 22 ASN HBy 1.0 . 3.50 159 156 A 22 ASN HD22 A 22 ASN HBy 1.0 . 4.00 160 157 A 23 ASP H A 22 ASN HBy 1.0 . 4.50 161 158 A 22 ASN HD21 A 22 ASN HD22 1.0 . 2.50 162 159 A 25 TRP HE1 A 22 ASN HBy 1.0 . 6.00 163 159 A 25 TRP HE1 A 22 ASN HBx 1.0 . 6.00 164 160 A 23 ASP H A 23 ASP HA 1.0 . 3.50 165 161 A 23 ASP H A 23 ASP HB2 1.0 . 4.50 166 161 A 23 ASP H A 23 ASP HB3 1.0 . 4.50 167 162 A 23 ASP HA A 25 TRP H 1.0 . 4.00 168 163 A 25 TRP H A 24 PRO HDx 1.0 . 6.00 169 164 A 25 TRP HE1 A 24 PRO HDx 1.0 . 6.00 170 165 A 25 TRP H A 24 PRO HDy 1.0 . 5.50 171 166 A 25 TRP HE1 A 24 PRO HDy 1.0 . 5.60 172 167 A 25 TRP H A 25 TRP HA 1.0 . 3.50 173 168 A 25 TRP HA A 26 VAL H 1.0 . 3.50 174 169 A 25 TRP HBx A 35 GLU H 1.0 . 5.00 175 170 A 25 TRP HD1 A 25 TRP H 1.0 . 5.50 176 171 A 25 TRP HE1 A 25 TRP HD1 1.0 . 4.00 177 172 A 25 TRP HE1 A 25 TRP HH2 1.0 . 5.50 178 173 A 25 TRP HE1 A 25 TRP HZ2 1.0 . 4.00 179 174 A 25 TRP H A 25 TRP HBy 1.0 . 4.50 180 174 A 25 TRP HBx A 25 TRP H 1.0 . 4.50 181 175 A 26 VAL H A 25 TRP HBy 1.0 . 4.00 182 175 A 25 TRP HBx A 26 VAL H 1.0 . 4.00 183 176 A 26 VAL H A 26 VAL HA 1.0 . 3.50 184 177 A 26 VAL H A 26 VAL HB 1.0 . 4.50 185 178 A 26 VAL H A 26 VAL HGx% 1.0 . 4.50 186 179 A 26 VAL H A 35 GLU H 1.0 . 4.00 187 180 A 26 VAL H A 36 ASN HA 1.0 . 5.00 188 181 A 26 VAL H A 37 PRO HD3 1.0 . 5.50 189 181 A 26 VAL H A 37 PRO HD2 1.0 . 5.50 190 182 A 27 CYS H A 26 VAL HA 1.0 . 3.00 191 183 A 27 CYS H A 26 VAL HB 1.0 . 4.00 192 184 A 27 CYS H A 26 VAL HGx% 1.0 . 5.00 193 185 A 35 GLU H A 26 VAL HGx% 1.0 . 5.50 194 186 A 27 CYS H A 26 VAL HGy% 1.0 . 4.50 195 187 A 27 CYS H A 27 CYS HB2 1.0 . 4.00 196 188 A 27 CYS H A 27 CYS HB3 1.0 . 4.00 197 189 A 27 CYS HA A 28 ILE H 1.0 . 3.00 198 190 A 35 GLU H A 27 CYS HA 1.0 . 3.50 199 191 A 34 CYS H A 27 CYS HB3 1.0 . 5.70 200 192 A 28 ILE H A 28 ILE HA 1.0 . 3.50 201 193 A 28 ILE H A 28 ILE HB 1.0 . 3.50 202 194 A 28 ILE H A 28 ILE HG1x 1.0 . 5.00 203 195 A 28 ILE H A 28 ILE HG1y 1.0 . 5.50 204 196 A 28 ILE H A 28 ILE HD1% 1.0 . 5.50 205 197 A 28 ILE H A 33 ARG H 1.0 . 3.50 206 198 A 28 ILE H A 34 CYS HA 1.0 . 5.00 207 199 A 35 GLU H A 28 ILE H 1.0 . 5.50 208 200 A 28 ILE HA A 29 LEU H 1.0 . 3.00 209 201 A 28 ILE HB A 29 LEU H 1.0 . 5.50 210 202 A 28 ILE HB A 31 SER H 1.0 . 5.50 211 203 A 28 ILE HB A 33 ARG H 1.0 . 5.00 212 204 A 28 ILE HD1% A 29 LEU H 1.0 . 5.00 213 205 A 35 GLU H A 28 ILE HD1% 1.0 . 5.50 214 206 A 28 ILE H A 28 ILE HG2% 1.0 . 5.50 215 207 A 29 LEU H A 28 ILE HG2% 1.0 . 4.50 216 208 A 31 SER H A 28 ILE HG2% 1.0 . 4.00 217 209 A 28 ILE HG2% A 32 SER H 1.0 . 5.00 218 210 A 33 ARG H A 28 ILE HG2% 1.0 . 5.50 219 211 A 29 LEU H A 29 LEU HB2 1.0 . 4.50 220 212 A 29 LEU H A 29 LEU HG 1.0 . 5.00 221 213 A 29 LEU H A 29 LEU HDx% 1.0 . 6.00 222 214 A 29 LEU H A 30 THR H 1.0 . 4.00 223 215 A 29 LEU H A 31 SER H 1.0 . 6.00 224 216 A 29 LEU H A 29 LEU HA 1.0 . 3.50 225 217 A 30 THR H A 29 LEU HA 1.0 . 5.00 226 218 A 32 SER H A 29 LEU HA 1.0 . 4.50 227 219 A 29 LEU HB2 A 30 THR H 1.0 . 5.00 228 220 A 30 THR H A 29 LEU HB3 1.0 . 4.50 229 221 A 29 LEU HDx% A 30 THR H 1.0 . 5.50 230 222 A 30 THR H A 29 LEU HDy% 1.0 . 4.00 231 223 A 30 THR H A 30 THR HA 1.0 . 3.50 232 224 A 30 THR H A 30 THR HB 1.0 . 4.50 233 225 A 31 SER H A 30 THR H 1.0 . 4.00 234 226 A 32 SER H A 30 THR H 1.0 . 5.00 235 227 A 31 SER H A 30 THR HA 1.0 . 5.00 236 228 A 31 SER H A 30 THR HB 1.0 . 5.00 237 229 A 30 THR H A 30 THR HG2% 1.0 . 4.00 238 230 A 31 SER H A 30 THR HG2% 1.0 . 6.00 239 231 A 31 SER H A 31 SER HA 1.0 . 3.50 240 232 A 31 SER H A 31 SER HB2 1.0 . 4.50 241 233 A 31 SER H A 31 SER HB3 1.0 . 4.00 242 234 A 31 SER H A 32 SER H 1.0 . 3.50 243 235 A 33 ARG H A 31 SER H 1.0 . 5.50 244 236 A 32 SER H A 31 SER HA 1.0 . 5.00 245 237 A 32 SER H A 31 SER HB2 1.0 . 4.50 246 238 A 32 SER H A 31 SER HB3 1.0 . 4.50 247 239 A 32 SER HB2 A 32 SER H 1.0 . 5.00 248 240 A 33 ARG H A 32 SER H 1.0 . 4.00 249 241 A 33 ARG H A 32 SER HA 1.0 . 4.00 250 242 A 32 SER HB2 A 33 ARG H 1.0 . 6.00 251 243 A 33 ARG H A 32 SER HB3 1.0 . 5.00 252 244 A 33 ARG HA A 33 ARG H 1.0 . 3.50 253 245 A 33 ARG H A 33 ARG HB2 1.0 . 4.50 254 246 A 33 ARG H A 33 ARG HB3 1.0 . 5.00 255 247 A 33 ARG H A 33 ARG HGx 1.0 . 5.00 256 248 A 34 CYS H A 33 ARG HA 1.0 . 3.00 257 249 A 34 CYS H A 33 ARG HB2 1.0 . 5.00 258 250 A 34 CYS H A 33 ARG HB3 1.0 . 4.00 259 251 A 34 CYS H A 34 CYS HA 1.0 . 3.50 260 252 A 34 CYS H A 34 CYS HB2 1.0 . 4.00 261 253 A 34 CYS H A 34 CYS HB3 1.0 . 5.00 262 254 A 35 GLU H A 34 CYS HA 1.0 . 3.00 263 255 A 34 CYS HB3 A 35 GLU H 1.0 . 5.00 264 256 A 35 GLU HA A 35 GLU H 1.0 . 3.50 265 257 A 35 GLU H A 35 GLU HBx 1.0 . 4.50 266 258 A 35 GLU H A 35 GLU HBy 1.0 . 4.00 267 259 A 35 GLU HA A 36 ASN H 1.0 . 4.00 268 260 A 36 ASN H A 35 GLU HBx 1.0 . 5.00 269 261 A 36 ASN H A 35 GLU HBy 1.0 . 3.50 270 262 A 36 ASN H A 36 ASN HA 1.0 . 4.00 271 263 A 36 ASN H A 36 ASN HBx 1.0 . 4.00 272 264 A 36 ASN H A 36 ASN HBy 1.0 . 4.50 273 265 A 36 ASN H A 37 PRO HD3 1.0 . 6.00 274 265 A 36 ASN H A 37 PRO HD2 1.0 . 6.00 275 266 A 36 ASN HBx A 36 ASN HD21 1.0 . 4.50 276 267 A 9 GLU H A 10 PRO HDy 1.0 . 4.50 277 267 A 9 GLU H A 10 PRO HDx 1.0 . 4.50 278 268 A 36 ASN H A 37 PRO HD3 1.0 . 5.50 279 268 A 36 ASN H A 37 PRO HD2 1.0 . 5.50 280 269 A 6 ASP HA A 25 TRP HD1 1.0 . 5.24 281 270 A 7 LYS HBx A 25 TRP HZ2 1.0 . 5.28 282 271 A 25 TRP HD1 A 25 TRP HBy 1.0 . 5.30 283 272 A 25 TRP HD1 A 25 TRP HA 1.0 . 5.90 284 273 A 1 ASP HA A 1 ASP HBx 1.0 . 3.00 285 273 A 1 ASP HA A 1 ASP HBy 1.0 . 3.00 286 274 A 2 GLY HAx A 3 GLU HBy 1.0 . 5.50 287 275 A 3 GLU HA A 3 GLU HBx 1.0 . 3.50 288 276 A 3 GLU HA A 3 GLU HBy 1.0 . 3.00 289 277 A 3 GLU HA A 3 GLU HGy 1.0 . 4.50 290 278 A 3 GLU HBy A 3 GLU HGy 1.0 . 3.50 291 278 A 3 GLU HBy A 3 GLU HGx 1.0 . 3.50 292 279 A 10 PRO HGx A 4 CYS HA 1.0 . 5.50 293 280 A 4 CYS HA A 10 PRO HGy 1.0 . 5.00 294 281 A 4 CYS HA A 10 PRO HDy 1.0 . 5.00 295 281 A 4 CYS HA A 10 PRO HDx 1.0 . 5.00 296 282 A 4 CYS HA A 11 CYS HA 1.0 . 5.50 297 283 A 33 ARG HA A 9 GLU HA 1.0 . 5.80 298 284 A 4 CYS HB2 A 10 PRO HA 1.0 . 5.30 299 285 A 4 CYS HB2 A 10 PRO HBy 1.0 . 6.00 300 286 A 4 CYS HB2 A 10 PRO HBx 1.0 . 6.00 301 287 A 10 PRO HGx A 4 CYS HB2 1.0 . 6.00 302 288 A 4 CYS HB2 A 12 CYS HA 1.0 . 5.00 303 289 A 4 CYS HA A 4 CYS HB2 1.0 . 3.50 304 290 A 4 CYS HB2 A 5 GLY HAy 1.0 . 6.00 305 291 A 4 CYS HB3 A 10 PRO HBx 1.0 . 6.00 306 292 A 4 CYS HB3 A 10 PRO HDx 1.0 . 6.00 307 293 A 10 PRO HGx A 4 CYS HB3 1.0 . 6.00 308 294 A 4 CYS HB3 A 12 CYS HA 1.0 . 5.50 309 295 A 4 CYS HA A 4 CYS HB3 1.0 . 3.50 310 296 A 5 GLY HAx A 21 CYS HA 1.0 . 4.50 311 297 A 5 GLY HAx A 21 CYS HB2 1.0 . 6.00 312 298 A 5 GLY HAx A 21 CYS HB3 1.0 . 6.00 313 299 A 5 GLY HAx A 22 ASN HBy 1.0 . 6.00 314 299 A 5 GLY HAx A 22 ASN HBx 1.0 . 6.00 315 300 A 11 CYS HA A 5 GLY HAy 1.0 . 6.00 316 301 A 5 GLY HAy A 21 CYS HA 1.0 . 4.00 317 302 A 5 GLY HAy A 21 CYS HB2 1.0 . 6.00 318 303 A 5 GLY HAy A 21 CYS HB3 1.0 . 6.00 319 304 A 5 GLY HAy A 22 ASN HBy 1.0 . 6.00 320 304 A 5 GLY HAy A 22 ASN HBx 1.0 . 6.00 321 305 A 6 ASP HA A 22 ASN HBy 1.0 . 5.50 322 305 A 6 ASP HA A 22 ASN HBx 1.0 . 5.50 323 306 A 6 ASP HA A 25 TRP HD1 1.0 . 5.00 324 307 A 6 ASP HA A 34 CYS HB3 1.0 . 5.50 325 308 A 6 ASP HA A 6 ASP HB2 1.0 . 3.50 326 309 A 7 LYS HA A 25 TRP HBx 1.0 . 5.00 327 310 A 7 LYS HA A 25 TRP HD1 1.0 . 6.00 328 311 A 7 LYS HA A 7 LYS HBy 1.0 . 3.50 329 312 A 7 LYS HA A 7 LYS HBx 1.0 . 3.50 330 313 A 7 LYS HA A 7 LYS HGy 1.0 . 4.00 331 314 A 7 LYS HA A 7 LYS HGx 1.0 . 4.50 332 315 A 7 LYS HBy A 7 LYS HDy 1.0 . 4.50 333 316 A 7 LYS HBy A 7 LYS HDx 1.0 . 4.50 334 317 A 7 LYS HBy A 7 LYS HEy 1.0 . 5.50 335 318 A 7 LYS HBy A 7 LYS HGy 1.0 . 3.50 336 319 A 7 LYS HBx A 25 TRP HZ2 1.0 . 6.00 337 320 A 7 LYS HBx A 25 TRP HZ3 1.0 . 6.00 338 321 A 7 LYS HBx A 7 LYS HDy 1.0 . 6.00 339 322 A 7 LYS HBx A 7 LYS HDx 1.0 . 4.50 340 323 A 7 LYS HBx A 7 LYS HEy 1.0 . 5.50 341 324 A 7 LYS HBx A 7 LYS HGy 1.0 . 3.50 342 325 A 7 LYS HBx A 7 LYS HGx 1.0 . 3.50 343 326 A 7 LYS HDy A 25 TRP HZ3 1.0 . 6.00 344 327 A 7 LYS HDy A 7 LYS HEy 1.0 . 3.50 345 328 A 7 LYS HDx A 7 LYS HEy 1.0 . 3.50 346 329 A 25 TRP HH2 A 7 LYS HEy 1.0 . 6.00 347 330 A 35 GLU HA A 7 LYS HEy 1.0 . 6.00 348 331 A 7 LYS HGy A 35 GLU HA 1.0 . 5.50 349 332 A 7 LYS HGy A 7 LYS HDy 1.0 . 3.50 350 333 A 7 LYS HGy A 7 LYS HDx 1.0 . 3.50 351 334 A 7 LYS HGy A 7 LYS HEy 1.0 . 4.50 352 335 A 7 LYS HGx A 7 LYS HDy 1.0 . 3.50 353 336 A 7 LYS HGx A 7 LYS HEy 1.0 . 4.50 354 337 A 8 ASP HA A 33 ARG HD3 1.0 . 6.00 355 338 A 8 ASP HA A 33 ARG HGy 1.0 . 5.50 356 339 A 8 ASP HA A 8 ASP HBx 1.0 . 3.50 357 340 A 8 ASP HA A 8 ASP HBy 1.0 . 3.50 358 341 A 10 PRO HGx A 9 GLU HA 1.0 . 5.50 359 342 A 9 GLU HA A 10 PRO HGy 1.0 . 4.50 360 343 A 9 GLU HA A 10 PRO HDy 1.0 . 3.50 361 343 A 9 GLU HA A 10 PRO HDx 1.0 . 3.50 362 344 A 9 GLU HA A 9 GLU HBx 1.0 . 3.50 363 345 A 10 PRO HA A 33 ARG HGx 1.0 . 5.50 364 346 A 10 PRO HA A 33 ARG HGy 1.0 . 5.50 365 347 A 33 ARG HA A 10 PRO HBy 1.0 . 6.00 366 348 A 11 CYS HA A 10 PRO HBx 1.0 . 6.00 367 349 A 4 CYS HB2 A 10 PRO HBx 1.0 . 5.86 368 350 A 10 PRO HA A 10 PRO HDx 1.0 . 5.50 369 351 A 33 ARG HA A 10 PRO HDy 1.0 . 6.00 370 352 A 11 CYS HA A 11 CYS HBx 1.0 . 3.50 371 352 A 11 CYS HA A 11 CYS HBy 1.0 . 3.50 372 353 A 11 CYS HA A 21 CYS HA 1.0 . 5.50 373 354 A 19 LYS HA A 11 CYS HBx 1.0 . 6.00 374 354 A 11 CYS HBy A 19 LYS HA 1.0 . 6.00 375 355 A 19 LYS HB2 A 11 CYS HBx 1.0 . 4.50 376 355 A 11 CYS HBy A 19 LYS HB2 1.0 . 4.50 377 356 A 19 LYS HB3 A 11 CYS HBx 1.0 . 5.00 378 356 A 11 CYS HBy A 19 LYS HB3 1.0 . 5.00 379 357 A 32 SER HA A 11 CYS HBx 1.0 . 6.00 380 357 A 11 CYS HBy A 32 SER HA 1.0 . 6.00 381 358 A 32 SER HB2 A 11 CYS HBx 1.0 . 6.00 382 358 A 32 SER HB2 A 11 CYS HBy 1.0 . 6.00 383 359 A 12 CYS HA A 12 CYS HB2 1.0 . 3.50 384 360 A 12 CYS HA A 12 CYS HB3 1.0 . 3.50 385 361 A 12 CYS HB2 A 20 VAL HB 1.0 . 6.00 386 362 A 12 CYS HB2 A 20 VAL HGx% 1.0 . 5.00 387 363 A 12 CYS HB3 A 20 VAL HB 1.0 . 6.00 388 364 A 12 CYS HB3 A 20 VAL HGx% 1.0 . 5.00 389 365 A 13 GLY HAx A 19 LYS HA 1.0 . 3.00 390 366 A 13 GLY HAx A 19 LYS HGx 1.0 . 5.50 391 367 A 13 GLY HAy A 19 LYS HA 1.0 . 4.00 392 368 A 13 GLY HAy A 19 LYS HGx 1.0 . 5.82 393 369 A 14 ARG HA A 14 ARG HGy 1.0 . 5.00 394 370 A 14 ARG HA A 14 ARG HGx 1.0 . 5.00 395 371 A 14 ARG HA A 14 ARG HD3 1.0 . 5.00 396 371 A 14 ARG HA A 14 ARG HD2 1.0 . 5.00 397 372 A 14 ARG HA A 14 ARG HGx 1.0 . 5.00 398 372 A 14 ARG HA A 14 ARG HGy 1.0 . 5.00 399 373 A 14 ARG HA A 15 PRO HDx 1.0 . 4.00 400 374 A 14 ARG HA A 15 PRO HDy 1.0 . 3.50 401 375 A 14 ARG HA A 14 ARG HBx 1.0 . 3.50 402 376 A 14 ARG HBx A 14 ARG HD2 1.0 . 4.50 403 377 A 14 ARG HBx A 14 ARG HGx 1.0 . 3.50 404 377 A 14 ARG HBx A 14 ARG HGy 1.0 . 3.50 405 378 A 14 ARG HBx A 15 PRO HDx 1.0 . 5.50 406 379 A 18 ALA HB% A 14 ARG HBx 1.0 . 5.00 407 380 A 14 ARG HA A 14 ARG HBy 1.0 . 3.50 408 381 A 14 ARG HBy A 14 ARG HD3 1.0 . 5.00 409 382 A 14 ARG HBy A 14 ARG HGy 1.0 . 3.50 410 383 A 14 ARG HBy A 14 ARG HGx 1.0 . 3.50 411 384 A 14 ARG HBy A 14 ARG HD3 1.0 . 5.00 412 384 A 14 ARG HBy A 14 ARG HD2 1.0 . 5.00 413 385 A 14 ARG HBy A 15 PRO HA 1.0 . 5.50 414 386 A 14 ARG HBy A 15 PRO HDx 1.0 . 5.00 415 387 A 14 ARG HBy A 15 PRO HDy 1.0 . 5.50 416 388 A 18 ALA HB% A 14 ARG HBy 1.0 . 6.00 417 389 A 14 ARG HD2 A 14 ARG HGy 1.0 . 3.50 418 389 A 14 ARG HGy A 14 ARG HD3 1.0 . 3.50 419 390 A 18 ALA HB% A 14 ARG HGy 1.0 . 5.50 420 391 A 20 VAL HGx% A 14 ARG HGy 1.0 . 5.50 421 392 A 14 ARG HD3 A 14 ARG HGx 1.0 . 3.50 422 392 A 14 ARG HD2 A 14 ARG HGx 1.0 . 3.50 423 393 A 15 PRO HDx A 14 ARG HGx 1.0 . 6.00 424 394 A 18 ALA HB% A 14 ARG HGx 1.0 . 6.00 425 395 A 20 VAL HGx% A 14 ARG HGx 1.0 . 6.00 426 396 A 20 VAL HGy% A 14 ARG HGx 1.0 . 5.50 427 397 A 18 ALA HB% A 14 ARG HD3 1.0 . 6.00 428 397 A 18 ALA HB% A 14 ARG HD2 1.0 . 6.00 429 398 A 20 VAL HGy% A 14 ARG HD3 1.0 . 5.50 430 398 A 20 VAL HGy% A 14 ARG HD2 1.0 . 5.50 431 399 A 16 ASP HA A 16 ASP HB2 1.0 . 3.50 432 400 A 16 ASP HA A 16 ASP HB3 1.0 . 3.50 433 401 A 18 ALA HB% A 18 ALA HA 1.0 . 3.50 434 402 A 18 ALA HB% A 20 VAL HGy% 1.0 . 4.50 435 403 A 19 LYS HA A 19 LYS HB2 1.0 . 3.50 436 404 A 19 LYS HA A 19 LYS HB3 1.0 . 3.50 437 405 A 19 LYS HA A 19 LYS HDx 1.0 . 6.00 438 406 A 19 LYS HA A 19 LYS HDy 1.0 . 5.50 439 407 A 19 LYS HA A 19 LYS HGx 1.0 . 5.00 440 408 A 19 LYS HA A 20 VAL HGy% 1.0 . 6.00 441 409 A 19 LYS HB2 A 29 LEU HDx% 1.0 . 5.00 442 410 A 29 LEU HG A 29 LEU HDx% 1.0 . 5.00 443 411 A 19 LYS HB3 A 19 LYS HGx 1.0 . 3.50 444 412 A 19 LYS HB3 A 19 LYS HGy 1.0 . 3.50 445 413 A 19 LYS HB3 A 29 LEU HDx% 1.0 . 6.00 446 414 A 19 LYS HDx A 19 LYS HE3 1.0 . 3.50 447 415 A 19 LYS HDx A 19 LYS HGx 1.0 . 3.50 448 416 A 19 LYS HDx A 32 SER HA 1.0 . 6.00 449 417 A 19 LYS HDy A 19 LYS HE3 1.0 . 3.50 450 418 A 19 LYS HGx A 19 LYS HDy 1.0 . 3.50 451 419 A 32 SER HA A 19 LYS HDy 1.0 . 6.00 452 420 A 19 LYS HGx A 19 LYS HE3 1.0 . 5.00 453 421 A 19 LYS HGy A 19 LYS HE3 1.0 . 5.50 454 422 A 29 LEU HDx% A 19 LYS HE3 1.0 . 5.50 455 423 A 20 VAL HA A 20 VAL HB 1.0 . 3.50 456 424 A 20 VAL HGx% A 20 VAL HA 1.0 . 5.00 457 425 A 20 VAL HGy% A 20 VAL HA 1.0 . 4.50 458 426 A 20 VAL HA A 27 CYS HB3 1.0 . 6.50 459 427 A 20 VAL HA A 27 CYS HB2 1.0 . 6.00 460 428 A 20 VAL HGx% A 20 VAL HB 1.0 . 3.50 461 429 A 20 VAL HGy% A 20 VAL HB 1.0 . 3.50 462 430 A 21 CYS HA A 20 VAL HGx% 1.0 . 6.00 463 431 A 21 CYS HA A 21 CYS HB2 1.0 . 3.50 464 432 A 21 CYS HB2 A 25 TRP HBy 1.0 . 5.50 465 432 A 21 CYS HB2 A 25 TRP HBx 1.0 . 5.50 466 433 A 21 CYS HB2 A 26 VAL HA 1.0 . 5.50 467 434 A 34 CYS HB3 A 21 CYS HB2 1.0 . 5.50 468 435 A 21 CYS HA A 21 CYS HB3 1.0 . 3.50 469 436 A 21 CYS HB3 A 25 TRP HBy 1.0 . 5.80 470 437 A 21 CYS HB3 A 26 VAL HA 1.0 . 5.79 471 438 A 34 CYS HB3 A 21 CYS HB3 1.0 . 5.50 472 439 A 22 ASN HA A 23 ASP HB2 1.0 . 6.00 473 439 A 22 ASN HA A 23 ASP HB3 1.0 . 6.00 474 440 A 22 ASN HA A 22 ASN HBy 1.0 . 3.50 475 440 A 22 ASN HA A 22 ASN HBx 1.0 . 3.50 476 441 A 25 TRP HD1 A 22 ASN HBy 1.0 . 5.50 477 441 A 25 TRP HD1 A 22 ASN HBx 1.0 . 5.50 478 442 A 23 ASP HA A 23 ASP HB2 1.0 . 3.50 479 442 A 23 ASP HA A 23 ASP HB3 1.0 . 3.50 480 443 A 24 PRO HA A 23 ASP HB2 1.0 . 4.50 481 443 A 23 ASP HB3 A 24 PRO HA 1.0 . 4.50 482 444 A 25 TRP HA A 25 TRP HE3 1.0 . 5.50 483 445 A 25 TRP HA A 26 VAL HGy% 1.0 . 6.00 484 446 A 25 TRP HA A 36 ASN HA 1.0 . 3.50 485 447 A 25 TRP HA A 37 PRO HD3 1.0 . 5.50 486 447 A 25 TRP HA A 37 PRO HD2 1.0 . 5.50 487 448 A 25 TRP HBx A 25 TRP HA 1.0 . 3.50 488 449 A 25 TRP HD1 A 25 TRP HBx 1.0 . 6.00 489 450 A 25 TRP HBx A 25 TRP HE3 1.0 . 6.00 490 451 A 34 CYS HB3 A 25 TRP HBx 1.0 . 5.50 491 452 A 35 GLU HA A 25 TRP HBx 1.0 . 6.00 492 453 A 25 TRP HBx A 36 ASN HA 1.0 . 6.00 493 454 A 25 TRP HA A 25 TRP HBy 1.0 . 3.50 494 455 A 25 TRP HD1 A 25 TRP HBy 1.0 . 5.00 495 456 A 25 TRP HE3 A 25 TRP HBy 1.0 . 6.00 496 457 A 34 CYS HB3 A 25 TRP HBy 1.0 . 5.50 497 458 A 36 ASN HA A 25 TRP HBy 1.0 . 6.00 498 459 A 36 ASN HA A 25 TRP HE3 1.0 . 5.00 499 460 A 25 TRP HE3 A 37 PRO HD3 1.0 . 6.00 500 460 A 37 PRO HD2 A 25 TRP HE3 1.0 . 6.00 501 461 A 25 TRP HH2 A 36 ASN HA 1.0 . 5.50 502 462 A 25 TRP HH2 A 36 ASN HBx 1.0 . 6.00 503 463 A 25 TRP HH2 A 36 ASN HBy 1.0 . 6.00 504 464 A 25 TRP HZ3 A 37 PRO HD3 1.0 . 6.00 505 464 A 37 PRO HD2 A 25 TRP HZ3 1.0 . 6.00 506 465 A 36 ASN HA A 25 TRP HBy 1.0 . 6.00 507 465 A 25 TRP HBx A 36 ASN HA 1.0 . 6.00 508 466 A 26 VAL HA A 26 VAL HB 1.0 . 3.50 509 467 A 26 VAL HA A 26 VAL HGx% 1.0 . 5.00 510 468 A 26 VAL HB A 26 VAL HGx% 1.0 . 3.50 511 469 A 26 VAL HGx% A 28 ILE HG1y 1.0 . 6.00 512 470 A 26 VAL HGx% A 37 PRO HA 1.0 . 5.00 513 471 A 26 VAL HGx% A 37 PRO HBy 1.0 . 6.00 514 472 A 26 VAL HGx% A 37 PRO HD3 1.0 . 6.00 515 473 A 26 VAL HGx% A 37 PRO HD3 1.0 . 5.50 516 473 A 26 VAL HGx% A 37 PRO HD2 1.0 . 5.50 517 474 A 26 VAL HA A 26 VAL HGy% 1.0 . 4.50 518 475 A 26 VAL HB A 26 VAL HGy% 1.0 . 5.00 519 476 A 7 LYS HGx A 35 GLU HA 1.0 . 6.00 520 477 A 36 ASN HA A 26 VAL HGy% 1.0 . 6.00 521 478 A 26 VAL HGy% A 37 PRO HA 1.0 . 4.50 522 479 A 26 VAL HGy% A 37 PRO HBy 1.0 . 5.50 523 480 A 26 VAL HGy% A 37 PRO HD3 1.0 . 6.00 524 480 A 37 PRO HD2 A 26 VAL HGy% 1.0 . 6.00 525 481 A 26 VAL HGy% A 37 PRO HGx 1.0 . 6.00 526 481 A 26 VAL HGy% A 37 PRO HGy 1.0 . 6.00 527 482 A 27 CYS HA A 34 CYS HA 1.0 . 2.50 528 483 A 34 CYS HB2 A 27 CYS HA 1.0 . 6.00 529 484 A 34 CYS HB3 A 27 CYS HA 1.0 . 6.00 530 485 A 27 CYS HA A 27 CYS HB3 1.0 . 3.50 531 486 A 29 LEU HDx% A 27 CYS HB3 1.0 . 6.00 532 487 A 27 CYS HA A 27 CYS HB2 1.0 . 3.50 533 488 A 27 CYS HA A 27 CYS HB2 1.0 . 4.50 534 488 A 27 CYS HA A 27 CYS HB3 1.0 . 4.50 535 489 A 28 ILE HA A 28 ILE HD1% 1.0 . 4.50 536 490 A 28 ILE HA A 28 ILE HB 1.0 . 3.50 537 491 A 28 ILE HB A 28 ILE HD1% 1.0 . 5.00 538 492 A 28 ILE HA A 28 ILE HG1x 1.0 . 5.50 539 493 A 28 ILE HB A 28 ILE HG1x 1.0 . 4.50 540 494 A 28 ILE HG1x A 28 ILE HG1y 1.0 . 4.00 541 495 A 28 ILE HG1x A 28 ILE HD1% 1.0 . 3.50 542 496 A 28 ILE HA A 28 ILE HG1y 1.0 . 4.50 543 497 A 28 ILE HB A 28 ILE HG1y 1.0 . 5.00 544 498 A 28 ILE HG1y A 28 ILE HD1% 1.0 . 3.50 545 499 A 28 ILE HA A 28 ILE HG2% 1.0 . 4.50 546 500 A 28 ILE HB A 28 ILE HG2% 1.0 . 4.00 547 501 A 28 ILE HG1x A 28 ILE HG2% 1.0 . 5.00 548 502 A 28 ILE HG1y A 28 ILE HG2% 1.0 . 4.50 549 503 A 28 ILE HD1% A 28 ILE HG2% 1.0 . 4.50 550 504 A 28 ILE HG2% A 30 THR HB 1.0 . 6.00 551 505 A 29 LEU HB2 A 29 LEU HA 1.0 . 3.50 552 506 A 29 LEU HA A 29 LEU HB3 1.0 . 3.50 553 507 A 29 LEU HG A 29 LEU HA 1.0 . 5.50 554 508 A 29 LEU HDx% A 29 LEU HA 1.0 . 5.50 555 509 A 29 LEU HB2 A 29 LEU HG 1.0 . 3.50 556 510 A 29 LEU HB2 A 29 LEU HDx% 1.0 . 4.50 557 511 A 29 LEU HB2 A 29 LEU HDy% 1.0 . 5.00 558 512 A 29 LEU HB3 A 29 LEU HDy% 1.0 . 5.00 559 513 A 29 LEU HG A 29 LEU HDy% 1.0 . 4.00 560 514 A 30 THR HA A 30 THR HB 1.0 . 3.50 561 515 A 30 THR HA A 30 THR HG2% 1.0 . 4.50 562 516 A 30 THR HB A 30 THR HG2% 1.0 . 3.50 563 517 A 31 SER HA A 31 SER HB2 1.0 . 3.50 564 518 A 31 SER HB2 A 33 ARG HB2 1.0 . 5.50 565 519 A 31 SER HB2 A 33 ARG HB3 1.0 . 6.00 566 520 A 31 SER HB2 A 33 ARG HD3 1.0 . 6.00 567 521 A 31 SER HA A 31 SER HB3 1.0 . 3.50 568 522 A 31 SER HA A 31 SER HB2 1.0 . 3.50 569 523 A 31 SER HB3 A 33 ARG HGy 1.0 . 5.50 570 524 A 32 SER HB2 A 32 SER HA 1.0 . 3.50 571 525 A 33 ARG HA A 33 ARG HB2 1.0 . 3.50 572 526 A 33 ARG HA A 33 ARG HD3 1.0 . 5.50 573 527 A 33 ARG HA A 33 ARG HGx 1.0 . 5.00 574 528 A 33 ARG HA A 33 ARG HGy 1.0 . 5.00 575 529 A 33 ARG HA A 33 ARG HB3 1.0 . 3.50 576 529 A 33 ARG HA A 33 ARG HB2 1.0 . 3.50 577 530 A 33 ARG HD3 A 33 ARG HB2 1.0 . 5.00 578 531 A 33 ARG HGx A 33 ARG HD3 1.0 . 3.50 579 532 A 33 ARG HD3 A 33 ARG HGy 1.0 . 3.50 580 533 A 34 CYS HB2 A 34 CYS HA 1.0 . 3.50 581 534 A 35 GLU HA A 34 CYS HB2 1.0 . 6.00 582 535 A 34 CYS HB3 A 34 CYS HA 1.0 . 3.50 583 536 A 34 CYS HB3 A 35 GLU HA 1.0 . 6.00 584 537 A 36 ASN HA A 36 ASN HBx 1.0 . 3.50 585 538 A 36 ASN HA A 36 ASN HBy 1.0 . 3.50 586 539 A 36 ASN HA A 37 PRO HD3 1.0 . 5.00 587 539 A 36 ASN HA A 37 PRO HD2 1.0 . 5.00 588 540 A 36 ASN HA A 37 PRO HGx 1.0 . 6.00 589 540 A 36 ASN HA A 37 PRO HGy 1.0 . 6.00 590 541 A 36 ASN HBx A 37 PRO HD3 1.0 . 6.00 591 541 A 37 PRO HD2 A 36 ASN HBx 1.0 . 6.00 592 542 A 36 ASN HBy A 37 PRO HD3 1.0 . 5.50 593 542 A 37 PRO HD2 A 36 ASN HBy 1.0 . 5.50 594 543 A 35 GLU HA A 25 TRP HBy 1.0 . 5.50 595 543 A 35 GLU HA A 25 TRP HBx 1.0 . 5.50 596 544 A 23 ASP HA A 24 PRO HA 1.0 . 4.00 597 545 A 35 GLU HA A 7 LYS HDx 1.0 . 5.50 598 546 A 34 CYS HB3 A 35 GLU HA 1.0 . 5.50 599 547 A 19 LYS HDx A 11 CYS HBx 1.0 . 5.50 600 547 A 11 CYS HBy A 19 LYS HDx 1.0 . 5.50 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_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 1 ASP C A 2 GLY N A 2 GLY CA A 2 GLY C 1.0 60.0 120.0 PHI 2 2 A 2 GLY N A 2 GLY CA A 2 GLY C A 3 GLU N 1.0 -30.0 30.0 PSI 3 3 A 2 GLY C A 3 GLU N A 3 GLU CA A 3 GLU C 1.0 -120.0 -60.0 PHI 4 4 A 3 GLU N A 3 GLU CA A 3 GLU C A 4 CYS N 1.0 130.0 190.0 PSI 5 5 A 3 GLU C A 4 CYS N A 4 CYS CA A 4 CYS C 1.0 -170.0 -90.0 PHI 6 6 A 4 CYS N A 4 CYS CA A 4 CYS C A 5 GLY N 1.0 90.0 150.0 PSI 7 7 A 4 CYS C A 5 GLY N A 5 GLY CA A 5 GLY C 1.0 90.0 150.0 PHI 8 8 A 5 GLY N A 5 GLY CA A 5 GLY C A 6 ASP N 1.0 -10.0 60.0 PSI 9 9 A 5 GLY C A 6 ASP N A 6 ASP CA A 6 ASP C 1.0 -155.0 -95.0 PHI 10 10 A 6 ASP N A 6 ASP CA A 6 ASP C A 7 LYS N 1.0 100.0 180.0 PSI 11 11 A 6 ASP C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -90.0 -30.0 PHI 12 12 A 7 LYS N A 7 LYS CA A 7 LYS C A 8 ASP N 1.0 100.0 160.0 PSI 13 13 A 7 LYS C A 8 ASP N A 8 ASP CA A 8 ASP C 1.0 40.0 80.0 PHI 14 14 A 8 ASP N A 8 ASP CA A 8 ASP C A 9 GLU N 1.0 20.0 60.0 PSI 15 15 A 8 ASP C A 9 GLU N A 9 GLU CA A 9 GLU C 1.0 -160.0 -100.0 PHI 16 16 A 9 GLU N A 9 GLU CA A 9 GLU C A 10 PRO N 1.0 100.0 170.0 PSI 17 17 A 10 PRO N A 10 PRO CA A 10 PRO C A 11 CYS N 1.0 90.0 150.0 PSI 18 18 A 10 PRO C A 11 CYS N A 11 CYS CA A 11 CYS C 1.0 -135.0 -75.0 PHI 19 19 A 11 CYS N A 11 CYS CA A 11 CYS C A 12 CYS N 1.0 120.0 170.0 PSI 20 20 A 11 CYS C A 12 CYS N A 12 CYS CA A 12 CYS C 1.0 -160.0 -80.0 PHI 21 21 A 12 CYS N A 12 CYS CA A 12 CYS C A 13 GLY N 1.0 90.0 150.0 PSI 22 22 A 12 CYS C A 13 GLY N A 13 GLY CA A 13 GLY C 1.0 -140.0 -80.0 PHI 23 23 A 13 GLY N A 13 GLY CA A 13 GLY C A 14 ARG N 1.0 90.0 150.0 PSI 24 24 A 13 GLY C A 14 ARG N A 14 ARG CA A 14 ARG C 1.0 -170.0 -40.0 PHI 25 25 A 14 ARG N A 14 ARG CA A 14 ARG C A 15 PRO N 1.0 100.0 170.0 PSI 26 26 A 15 PRO N A 15 PRO CA A 15 PRO C A 16 ASP N 1.0 -60.0 0.0 PSI 27 27 A 15 PRO C A 16 ASP N A 16 ASP CA A 16 ASP C 1.0 -120.0 -60.0 PHI 28 28 A 16 ASP N A 16 ASP CA A 16 ASP C A 17 GLY N 1.0 -30.0 30.0 PSI 29 29 A 16 ASP C A 17 GLY N A 17 GLY CA A 17 GLY C 1.0 60.0 120.0 PHI 30 30 A 17 GLY N A 17 GLY CA A 17 GLY C A 18 ALA N 1.0 -40.0 40.0 PSI 31 31 A 17 GLY C A 18 ALA N A 18 ALA CA A 18 ALA C 1.0 -130.0 -70.0 PHI 32 32 A 18 ALA N A 18 ALA CA A 18 ALA C A 19 LYS N 1.0 100.0 160.0 PSI 33 33 A 18 ALA C A 19 LYS N A 19 LYS CA A 19 LYS C 1.0 -160.0 -70.0 PHI 34 34 A 19 LYS N A 19 LYS CA A 19 LYS C A 20 VAL N 1.0 90.0 150.0 PSI 35 35 A 19 LYS C A 20 VAL N A 20 VAL CA A 20 VAL C 1.0 -140.0 -80.0 PHI 36 36 A 20 VAL N A 20 VAL CA A 20 VAL C A 21 CYS N 1.0 90.0 150.0 PSI 37 37 A 20 VAL C A 21 CYS N A 21 CYS CA A 21 CYS C 1.0 -150.0 -90.0 PHI 38 38 A 21 CYS N A 21 CYS CA A 21 CYS C A 22 ASN N 1.0 100.0 160.0 PSI 39 39 A 21 CYS C A 22 ASN N A 22 ASN CA A 22 ASN C 1.0 -140.0 -80.0 PHI 40 40 A 22 ASN N A 22 ASN CA A 22 ASN C A 23 ASP N 1.0 90.0 150.0 PSI 41 41 A 22 ASN C A 23 ASP N A 23 ASP CA A 23 ASP C 1.0 -90.0 -30.0 PHI 42 42 A 23 ASP N A 23 ASP CA A 23 ASP C A 24 PRO N 1.0 100.0 160.0 PSI 43 43 A 24 PRO N A 24 PRO CA A 24 PRO C A 25 TRP N 1.0 -40.0 40.0 PSI 44 44 A 24 PRO C A 25 TRP N A 25 TRP CA A 25 TRP C 1.0 -150.0 -35.0 PHI 45 45 A 25 TRP N A 25 TRP CA A 25 TRP C A 26 VAL N 1.0 110.0 170.0 PSI 46 46 A 25 TRP C A 26 VAL N A 26 VAL CA A 26 VAL C 1.0 -150.0 -90.0 PHI 47 47 A 26 VAL N A 26 VAL CA A 26 VAL C A 27 CYS N 1.0 90.0 150.0 PSI 48 48 A 26 VAL C A 27 CYS N A 27 CYS CA A 27 CYS C 1.0 -160.0 -70.0 PHI 49 49 A 27 CYS N A 27 CYS CA A 27 CYS C A 28 ILE N 1.0 90.0 150.0 PSI 50 50 A 27 CYS C A 28 ILE N A 28 ILE CA A 28 ILE C 1.0 -160.0 -80.0 PHI 51 51 A 28 ILE N A 28 ILE CA A 28 ILE C A 29 LEU N 1.0 90.0 150.0 PSI 52 52 A 28 ILE C A 29 LEU N A 29 LEU CA A 29 LEU C 1.0 -90.0 -30.0 PHI 53 53 A 29 LEU N A 29 LEU CA A 29 LEU C A 30 THR N 1.0 -70.0 -10.0 PSI 54 54 A 29 LEU C A 30 THR N A 30 THR CA A 30 THR C 1.0 -90.0 -30.0 PHI 55 55 A 30 THR N A 30 THR CA A 30 THR C A 31 SER N 1.0 -60.0 0.0 PSI 56 56 A 30 THR C A 31 SER N A 31 SER CA A 31 SER C 1.0 -95.0 -35.0 PHI 57 57 A 31 SER N A 31 SER CA A 31 SER C A 32 SER N 1.0 -60.0 0.0 PSI 58 58 A 31 SER C A 32 SER N A 32 SER CA A 32 SER C 1.0 55.0 95.0 PHI 59 59 A 32 SER N A 32 SER CA A 32 SER C A 33 ARG N 1.0 20.0 60.0 PSI 60 60 A 32 SER C A 33 ARG N A 33 ARG CA A 33 ARG C 1.0 -150.0 -90.0 PHI 61 61 A 33 ARG N A 33 ARG CA A 33 ARG C A 34 CYS N 1.0 90.0 150.0 PSI 62 62 A 33 ARG C A 34 CYS N A 34 CYS CA A 34 CYS C 1.0 -140.0 -70.0 PHI 63 63 A 34 CYS N A 34 CYS CA A 34 CYS C A 35 GLU N 1.0 80.0 140.0 PSI 64 64 A 34 CYS C A 35 GLU N A 35 GLU CA A 35 GLU C 1.0 -160.0 -80.0 PHI 65 65 A 35 GLU N A 35 GLU CA A 35 GLU C A 36 ASN N 1.0 120.0 190.0 PSI 66 66 A 35 GLU C A 36 ASN N A 36 ASN CA A 36 ASN C 1.0 -80.0 -20.0 PHI 67 67 A 36 ASN N A 36 ASN CA A 36 ASN C A 37 PRO N 1.0 120.0 170.0 PSI 68 68 A 23 ASP O A 23 ASP C A 24 PRO N A 24 PRO CD 1.0 -10.0 10.0 OMEGA 69 69 A 3 GLU N A 3 GLU CA A 3 GLU CB A 3 GLU CG 1.0 30.0 90.0 CHI1 70 70 A 6 ASP N A 6 ASP CA A 6 ASP CB A 6 ASP CG 1.0 -90.0 -30.0 CHI1 71 71 A 8 ASP N A 8 ASP CA A 8 ASP CB A 8 ASP CG 1.0 -90.0 -30.0 CHI1 72 72 A 11 CYS N A 11 CYS CA A 11 CYS CB A 11 CYS SG 1.0 30.0 90.0 CHI1 73 73 A 12 CYS N A 12 CYS CA A 12 CYS CB A 12 CYS SG 1.0 30.0 90.0 CHI1 74 74 A 14 ARG N A 14 ARG CA A 14 ARG CB A 14 ARG CG 1.0 -90.0 -30.0 CHI1 75 75 A 16 ASP N A 16 ASP CA A 16 ASP CB A 16 ASP CG 1.0 30.0 90.0 CHI1 76 76 A 19 LYS N A 19 LYS CA A 19 LYS CB A 19 LYS CG 1.0 -90.0 -30.0 CHI1 77 77 A 21 CYS N A 21 CYS CA A 21 CYS CB A 21 CYS SG 1.0 -90.0 -30.0 CHI1 78 78 A 22 ASN N A 22 ASN CA A 22 ASN CB A 22 ASN CG 1.0 30.0 90.0 CHI1 79 79 A 23 ASP N A 23 ASP CA A 23 ASP CB A 23 ASP CG 1.0 30.0 90.0 CHI1 80 80 A 25 TRP N A 25 TRP CA A 25 TRP CB A 25 TRP CG 1.0 -90.0 -30.0 CHI1 81 81 A 27 CYS N A 27 CYS CA A 27 CYS CB A 27 CYS SG 1.0 -210.0 -150.0 CHI1 82 82 A 29 LEU N A 29 LEU CA A 29 LEU CB A 29 LEU CG 1.0 -90.0 -30.0 CHI1 83 83 A 31 SER N A 31 SER CA A 31 SER CB A 31 SER OG 1.0 30.0 90.0 CHI1 84 84 A 32 SER N A 32 SER CA A 32 SER CB A 32 SER OG 1.0 30.0 90.0 CHI1 85 85 A 33 ARG N A 33 ARG CA A 33 ARG CB A 33 ARG CG 1.0 30.0 90.0 CHI1 86 86 A 34 CYS N A 34 CYS CA A 34 CYS CB A 34 CYS SG 1.0 -90.0 -30.0 CHI1 stop_ save_