data_nef_c19998_2mpq 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 2MPQ 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 3 CYS SG 1 18 CYS SG 1 10 CYS SG 1 25 CYS SG 1 17 CYS SG 1 32 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 GLY start . false 2 A 2 ALA middle . . 3 A 3 CYS middle -HG . 4 A 4 LEU middle . . 5 A 5 GLY middle . false 6 A 6 PHE middle . . 7 A 7 GLY middle . false 8 A 8 LYS middle . . 9 A 9 SER middle . . 10 A 10 CYS middle -HG . 11 A 11 ASN middle . . 12 A 12 PRO middle . false 13 A 13 SER middle . . 14 A 14 ASN middle . . 15 A 15 ASP middle . . 16 A 16 GLN middle . . 17 A 17 CYS middle -HG . 18 A 18 CYS middle -HG . 19 A 19 LYS middle . . 20 A 20 SER middle . . 21 A 21 SER middle . . 22 A 22 SER middle . . 23 A 23 LEU middle . . 24 A 24 ALA middle . . 25 A 25 CYS middle -HG . 26 A 26 SER middle . . 27 A 27 THR middle . . 28 A 28 LYS middle . . 29 A 29 HIS middle . . 30 A 30 LYS middle . . 31 A 31 TRP middle . . 32 A 32 CYS middle -HG . 33 A 33 LYS middle . . 34 A 34 TYR middle . . 35 A 35 GLU middle . . 36 A 36 LEU end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 GLY HA2 H 1 3.848 0.020 A 1 GLY HA3 H 1 3.848 0.020 A 1 GLY C C 13 167.041 0.300 A 1 GLY CA C 13 43.052 0.300 A 2 ALA H H 1 8.561 0.020 A 2 ALA HA H 1 4.464 0.020 A 2 ALA HB% H 1 1.419 0.020 A 2 ALA C C 13 174.673 0.300 A 2 ALA CA C 13 52.168 0.300 A 2 ALA CB C 13 19.690 0.300 A 2 ALA N N 15 123.910 0.200 A 3 CYS H H 1 8.335 0.020 A 3 CYS HA H 1 4.965 0.020 A 3 CYS HB2 H 1 3.175 0.020 A 3 CYS HB3 H 1 3.330 0.020 A 3 CYS C C 13 170.808 0.300 A 3 CYS CA C 13 54.754 0.300 A 3 CYS CB C 13 44.067 0.300 A 3 CYS N N 15 117.207 0.200 A 4 LEU H H 1 8.815 0.001 A 4 LEU HA H 1 4.345 0.020 A 4 LEU HB2 H 1 1.809 0.020 A 4 LEU HB3 H 1 1.356 0.020 A 4 LEU HD1% H 1 0.939 0.020 A 4 LEU HD2% H 1 0.835 0.001 A 4 LEU HG H 1 1.582 0.020 A 4 LEU C C 13 172.234 0.300 A 4 LEU CA C 13 54.223 0.300 A 4 LEU CB C 13 44.578 0.300 A 4 LEU CD1 C 13 26.269 0.300 A 4 LEU CD2 C 13 22.217 0.300 A 4 LEU CG C 13 26.269 0.300 A 4 LEU N N 15 121.828 0.200 A 5 GLY H H 1 7.999 0.020 A 5 GLY HAy H 1 4.126 0.001 A 5 GLY HAx H 1 3.657 0.001 A 5 GLY C C 13 169.768 0.300 A 5 GLY CA C 13 43.052 0.300 A 5 GLY N N 15 107.508 0.200 A 6 PHE H H 1 8.392 0.020 A 6 PHE HA H 1 3.619 0.020 A 6 PHE HBy H 1 2.957 0.020 A 6 PHE HBx H 1 2.809 0.001 A 6 PHE HD1 H 1 6.893 0.020 A 6 PHE HD2 H 1 6.893 0.020 A 6 PHE HE1 H 1 7.414 0.020 A 6 PHE HE2 H 1 7.414 0.020 A 6 PHE HZ H 1 7.394 0.020 A 6 PHE C C 13 174.967 0.300 A 6 PHE CA C 13 60.101 0.300 A 6 PHE CB C 13 39.506 0.300 A 6 PHE CD2 C 13 132.079 0.300 A 6 PHE CE2 C 13 131.500 0.300 A 6 PHE CZ C 13 130.250 0.300 A 6 PHE N N 15 116.953 0.200 A 7 GLY H H 1 8.645 0.020 A 7 GLY HA2 H 1 2.809 0.020 A 7 GLY HA3 H 1 3.569 0.020 A 7 GLY C C 13 171.017 0.300 A 7 GLY CA C 13 44.844 0.300 A 7 GLY N N 15 115.074 0.200 A 8 LYS H H 1 7.429 0.020 A 8 LYS HA H 1 4.313 0.020 A 8 LYS HB2 H 1 1.983 0.020 A 8 LYS HB3 H 1 1.812 0.020 A 8 LYS HDy H 1 1.637 0.020 A 8 LYS HDx H 1 1.616 0.020 A 8 LYS HEy H 1 3.033 0.020 A 8 LYS HEx H 1 2.950 0.020 A 8 LYS HG2 H 1 1.207 0.020 A 8 LYS HG3 H 1 1.499 0.020 A 8 LYS C C 13 173.878 0.300 A 8 LYS CA C 13 54.570 0.300 A 8 LYS CB C 13 32.391 0.300 A 8 LYS CD C 13 27.761 0.063 A 8 LYS CE C 13 42.539 0.022 A 8 LYS CG C 13 24.559 0.300 A 8 LYS N N 15 120.051 0.200 A 9 SER H H 1 8.542 0.020 A 9 SER HA H 1 4.315 0.020 A 9 SER HBy H 1 3.962 0.020 A 9 SER HBx H 1 3.904 0.020 A 9 SER C C 13 170.486 0.300 A 9 SER CB C 13 63.355 0.300 A 9 SER N N 15 117.004 0.200 A 10 CYS H H 1 8.188 0.001 A 10 CYS HA H 1 4.833 0.020 A 10 CYS HB2 H 1 3.092 0.020 A 10 CYS HB3 H 1 2.914 0.001 A 10 CYS C C 13 168.106 0.300 A 10 CYS CA C 13 53.907 0.300 A 10 CYS CB C 13 45.841 0.300 A 10 CYS N N 15 119.238 0.200 A 11 ASN H H 1 9.129 0.020 A 11 ASN HA H 1 5.124 0.001 A 11 ASN HB2 H 1 2.748 0.020 A 11 ASN HB3 H 1 2.989 0.001 A 11 ASN HD21 H 1 7.727 0.020 A 11 ASN HD22 H 1 7.065 0.020 A 11 ASN CA C 13 48.476 0.300 A 11 ASN CB C 13 40.000 0.300 A 11 ASN N N 15 119.594 0.200 A 11 ASN ND2 N 15 111.875 0.200 A 12 PRO HA H 1 3.848 0.020 A 12 PRO HB2 H 1 1.998 0.020 A 12 PRO HB3 H 1 2.123 0.020 A 12 PRO HD2 H 1 3.939 0.020 A 12 PRO HD3 H 1 3.855 0.020 A 12 PRO HG2 H 1 1.745 0.020 A 12 PRO HG3 H 1 2.080 0.020 A 12 PRO C C 13 174.197 0.300 A 12 PRO CA C 13 64.689 0.300 A 12 PRO CB C 13 31.883 0.300 A 12 PRO CD C 13 50.650 0.300 A 12 PRO CG C 13 27.825 0.300 A 13 SER H H 1 7.785 0.020 A 13 SER HA H 1 4.394 0.020 A 13 SER HB2 H 1 3.814 0.020 A 13 SER HB3 H 1 3.902 0.020 A 13 SER C C 13 170.980 0.300 A 13 SER CA C 13 59.326 0.300 A 13 SER CB C 13 63.380 0.300 A 13 SER N N 15 110.351 0.200 A 14 ASN H H 1 7.613 0.020 A 14 ASN HA H 1 4.638 0.020 A 14 ASN HB2 H 1 2.640 0.001 A 14 ASN HB3 H 1 2.610 0.020 A 14 ASN HD2y H 1 7.516 0.020 A 14 ASN HD2x H 1 6.800 0.020 A 14 ASN C C 13 171.412 0.300 A 14 ASN CA C 13 52.806 0.300 A 14 ASN CB C 13 37.810 0.300 A 14 ASN N N 15 120.660 0.200 A 14 ASN ND2 N 15 110.707 0.200 A 15 ASP H H 1 8.695 0.020 A 15 ASP HA H 1 4.110 0.020 A 15 ASP HBy H 1 3.020 0.020 A 15 ASP HBx H 1 2.509 0.020 A 15 ASP C C 13 174.918 0.300 A 15 ASP CA C 13 55.774 0.300 A 15 ASP CB C 13 41.360 0.300 A 15 ASP N N 15 124.062 0.200 A 16 GLN H H 1 8.041 0.020 A 16 GLN HA H 1 4.613 0.020 A 16 GLN HB2 H 1 1.755 0.020 A 16 GLN HB3 H 1 2.705 0.020 A 16 GLN HE2y H 1 7.105 0.020 A 16 GLN HE2x H 1 6.844 0.020 A 16 GLN HG2 H 1 2.332 0.020 A 16 GLN HG3 H 1 2.411 0.020 A 16 GLN C C 13 173.874 0.300 A 16 GLN CA C 13 54.522 0.300 A 16 GLN CB C 13 28.327 0.300 A 16 GLN CG C 13 33.393 0.300 A 16 GLN N N 15 127.008 0.200 A 16 GLN NE2 N 15 113.297 0.200 A 17 CYS H H 1 9.314 0.020 A 17 CYS HA H 1 4.983 0.020 A 17 CYS HB2 H 1 2.785 0.020 A 17 CYS HB3 H 1 2.598 0.020 A 17 CYS C C 13 173.908 0.300 A 17 CYS CA C 13 56.486 0.300 A 17 CYS CB C 13 38.906 0.300 A 17 CYS N N 15 122.234 0.200 A 18 CYS H H 1 9.192 0.020 A 18 CYS HA H 1 4.608 0.020 A 18 CYS HB2 H 1 2.842 0.020 A 18 CYS HB3 H 1 3.218 0.006 A 18 CYS C C 13 172.722 0.300 A 18 CYS CA C 13 55.521 0.300 A 18 CYS CB C 13 41.367 0.300 A 18 CYS N N 15 118.883 0.200 A 19 LYS H H 1 8.890 0.020 A 19 LYS HA H 1 4.332 0.020 A 19 LYS HB2 H 1 1.938 0.020 A 19 LYS HB3 H 1 1.973 0.020 A 19 LYS HDy H 1 1.805 0.020 A 19 LYS HDx H 1 1.730 0.020 A 19 LYS HE2 H 1 3.072 0.020 A 19 LYS HE3 H 1 3.072 0.020 A 19 LYS HGy H 1 1.681 0.020 A 19 LYS HGx H 1 1.621 0.020 A 19 LYS C C 13 177.997 0.300 A 19 LYS CA C 13 58.426 0.300 A 19 LYS CB C 13 31.319 0.064 A 19 LYS CD C 13 28.330 0.300 A 19 LYS CE C 13 42.352 0.300 A 19 LYS CG C 13 24.768 0.300 A 19 LYS N N 15 131.730 0.200 A 20 SER H H 1 8.856 0.001 A 20 SER HA H 1 4.334 0.020 A 20 SER HBy H 1 4.053 0.020 A 20 SER HBx H 1 3.959 0.020 A 20 SER C C 13 172.946 0.300 A 20 SER CA C 13 60.311 0.300 A 20 SER CB C 13 62.327 0.300 A 20 SER N N 15 115.887 0.200 A 21 SER H H 1 7.068 0.020 A 21 SER HA H 1 4.833 0.020 A 21 SER HBy H 1 4.265 0.020 A 21 SER HBx H 1 3.758 0.001 A 21 SER C C 13 170.505 0.300 A 21 SER CA C 13 57.500 0.300 A 21 SER CB C 13 63.852 0.300 A 21 SER N N 15 116.191 0.200 A 22 SER H H 1 8.113 0.020 A 22 SER HA H 1 4.099 0.020 A 22 SER HBy H 1 4.310 0.020 A 22 SER HBx H 1 4.231 0.020 A 22 SER C C 13 170.369 0.300 A 22 SER CA C 13 59.140 0.300 A 22 SER CB C 13 61.339 0.300 A 22 SER N N 15 111.723 0.200 A 23 LEU H H 1 7.111 0.020 A 23 LEU HA H 1 4.898 0.020 A 23 LEU HB2 H 1 1.811 0.020 A 23 LEU HB3 H 1 0.838 0.020 A 23 LEU HD1% H 1 0.924 0.020 A 23 LEU HD2% H 1 0.228 0.020 A 23 LEU HG H 1 1.441 0.020 A 23 LEU C C 13 173.712 0.300 A 23 LEU CA C 13 53.083 0.300 A 23 LEU CB C 13 46.062 0.300 A 23 LEU CD1 C 13 27.367 0.300 A 23 LEU CD2 C 13 24.284 0.300 A 23 LEU CG C 13 26.201 0.300 A 23 LEU N N 15 115.988 0.200 A 24 ALA H H 1 8.904 0.020 A 24 ALA HA H 1 4.466 0.020 A 24 ALA HB% H 1 1.314 0.020 A 24 ALA C C 13 173.491 0.300 A 24 ALA CA C 13 51.167 0.300 A 24 ALA CB C 13 23.237 0.300 A 24 ALA N N 15 119.898 0.200 A 25 CYS H H 1 9.847 0.001 A 25 CYS HA H 1 4.452 0.020 A 25 CYS HB2 H 1 3.061 0.020 A 25 CYS HB3 H 1 2.589 0.020 A 25 CYS C C 13 171.574 0.300 A 25 CYS CA C 13 56.132 0.300 A 25 CYS CB C 13 39.179 0.300 A 25 CYS N N 15 122.945 0.200 A 26 SER H H 1 7.791 0.020 A 26 SER HA H 1 4.543 0.020 A 26 SER HB2 H 1 4.069 0.020 A 26 SER HB3 H 1 3.695 0.020 A 26 SER CA C 13 57.773 0.300 A 26 SER CB C 13 63.789 0.300 A 26 SER N N 15 122.285 0.200 A 27 THR H H 1 8.874 0.020 A 27 THR HA H 1 3.778 0.020 A 27 THR HB H 1 4.169 0.020 A 27 THR HG2% H 1 1.260 0.020 A 27 THR C C 13 172.781 0.300 A 27 THR CA C 13 65.390 0.300 A 27 THR CB C 13 68.458 0.300 A 27 THR CG2 C 13 22.214 0.300 A 27 THR N N 15 122.390 0.200 A 28 LYS H H 1 7.609 0.020 A 28 LYS HA H 1 4.031 0.020 A 28 LYS HBy H 1 1.437 0.020 A 28 LYS HBx H 1 1.195 0.020 A 28 LYS HDy H 1 1.468 0.020 A 28 LYS HDx H 1 1.447 0.001 A 28 LYS HE2 H 1 2.844 0.020 A 28 LYS HE3 H 1 2.844 0.020 A 28 LYS HGy H 1 1.062 0.020 A 28 LYS HGx H 1 0.840 0.020 A 28 LYS C C 13 174.613 0.300 A 28 LYS CA C 13 57.799 0.300 A 28 LYS CB C 13 33.164 0.300 A 28 LYS CD C 13 28.851 0.055 A 28 LYS CE C 13 42.021 0.300 A 28 LYS CG C 13 24.740 0.040 A 28 LYS N N 15 118.883 0.200 A 29 HIS H H 1 7.450 0.020 A 29 HIS HA H 1 4.284 0.020 A 29 HIS HB2 H 1 1.625 0.001 A 29 HIS HD2 H 1 6.998 0.020 A 29 HIS HE1 H 1 8.259 0.020 A 29 HIS CA C 13 55.586 0.300 A 29 HIS CB C 13 29.062 0.300 A 29 HIS CD2 C 13 120.575 0.300 A 29 HIS CE1 C 13 137.593 0.300 A 29 HIS N N 15 113.398 0.200 A 30 LYS H H 1 8.261 0.020 A 30 LYS HA H 1 3.888 0.020 A 30 LYS HB2 H 1 1.697 0.020 A 30 LYS HB3 H 1 1.613 0.020 A 30 LYS HD2 H 1 2.264 0.020 A 30 LYS HD3 H 1 1.960 0.020 A 30 LYS HG2 H 1 1.154 0.020 A 30 LYS HG3 H 1 1.207 0.020 A 30 LYS CA C 13 57.500 0.300 A 30 LYS CB C 13 29.609 0.300 A 30 LYS CD C 13 28.242 0.300 A 30 LYS CG C 13 25.234 0.300 A 30 LYS N N 15 116.344 0.200 A 31 TRP H H 1 8.483 0.020 A 31 TRP HA H 1 5.477 0.020 A 31 TRP HB2 H 1 3.031 0.003 A 31 TRP HB3 H 1 2.486 0.001 A 31 TRP HD1 H 1 6.874 0.020 A 31 TRP HE1 H 1 10.147 0.001 A 31 TRP HE3 H 1 7.205 0.020 A 31 TRP HH2 H 1 7.048 0.020 A 31 TRP HZ2 H 1 7.085 0.020 A 31 TRP HZ3 H 1 6.954 0.020 A 31 TRP C C 13 174.754 0.300 A 31 TRP CA C 13 55.756 0.300 A 31 TRP CB C 13 30.976 0.300 A 31 TRP CD1 C 13 126.803 0.300 A 31 TRP CE3 C 13 121.250 0.300 A 31 TRP CH2 C 13 124.225 0.300 A 31 TRP CZ2 C 13 114.069 0.300 A 31 TRP CZ3 C 13 121.805 0.300 A 31 TRP N N 15 117.766 0.200 A 31 TRP NE1 N 15 129.039 0.200 A 32 CYS H H 1 8.474 0.020 A 32 CYS HA H 1 4.747 0.020 A 32 CYS HB2 H 1 3.161 0.020 A 32 CYS HB3 H 1 2.509 0.020 A 32 CYS C C 13 171.472 0.300 A 32 CYS CA C 13 54.733 0.300 A 32 CYS CB C 13 39.524 0.300 A 32 CYS N N 15 118.984 0.200 A 33 LYS H H 1 9.027 0.020 A 33 LYS HA H 1 4.717 0.020 A 33 LYS HB2 H 1 1.828 0.020 A 33 LYS HB3 H 1 1.955 0.020 A 33 LYS HD2 H 1 1.370 0.020 A 33 LYS HD3 H 1 1.593 0.020 A 33 LYS HEy H 1 2.945 0.020 A 33 LYS HEx H 1 2.798 0.020 A 33 LYS HG2 H 1 1.398 0.020 A 33 LYS HG3 H 1 1.474 0.020 A 33 LYS C C 13 172.236 0.300 A 33 LYS CA C 13 54.730 0.300 A 33 LYS CB C 13 35.429 0.300 A 33 LYS CD C 13 28.884 0.300 A 33 LYS CE C 13 41.522 0.300 A 33 LYS CG C 13 23.752 0.300 A 33 LYS N N 15 124.672 0.200 A 34 TYR H H 1 8.092 0.020 A 34 TYR HA H 1 4.878 0.020 A 34 TYR HB2 H 1 2.922 0.020 A 34 TYR HB3 H 1 3.168 0.020 A 34 TYR HD1 H 1 7.225 0.020 A 34 TYR HD2 H 1 7.225 0.020 A 34 TYR HE1 H 1 6.646 0.020 A 34 TYR HE2 H 1 6.646 0.020 A 34 TYR C C 13 174.034 0.300 A 34 TYR CA C 13 59.262 0.300 A 34 TYR CB C 13 38.633 0.300 A 34 TYR CD1 C 13 133.349 0.300 A 34 TYR CE1 C 13 118.671 0.300 A 34 TYR N N 15 120.102 0.200 A 35 GLU H H 1 8.754 0.020 A 35 GLU HA H 1 4.462 0.020 A 35 GLU HBy H 1 2.045 0.020 A 35 GLU HBx H 1 1.870 0.001 A 35 GLU HG2 H 1 2.242 0.020 A 35 GLU HG3 H 1 2.242 0.020 A 35 GLU C C 13 172.127 0.300 A 35 GLU CA C 13 56.267 0.300 A 35 GLU CB C 13 30.852 0.055 A 35 GLU CG C 13 35.351 0.300 A 35 GLU N N 15 124.362 0.023 A 36 LEU H H 1 7.886 0.001 A 36 LEU HA H 1 4.229 0.020 A 36 LEU HB2 H 1 1.606 0.002 A 36 LEU HB3 H 1 1.606 0.002 A 36 LEU HD1% H 1 0.898 0.001 A 36 LEU HD2% H 1 0.898 0.002 A 36 LEU HG H 1 1.601 0.020 A 36 LEU CA C 13 56.679 0.300 A 36 LEU CB C 13 43.554 0.300 A 36 LEU CD1 C 13 23.867 0.300 A 36 LEU CG C 13 27.422 0.300 A 36 LEU N N 15 128.734 0.200 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 2 ALA H A 2 ALA HB% 1.0 . 4.18 2 2 A 3 CYS H A 3 CYS HB3 1.0 . 3.60 3 3 A 3 CYS H A 3 CYS HB2 1.0 . 4.06 4 4 A 4 LEU H A 4 LEU HB2 1.0 . 2.81 5 5 A 4 LEU H A 4 LEU HB3 1.0 . 3.92 6 6 A 4 LEU H A 4 LEU HG 1.0 . 2.90 7 7 A 4 LEU H A 4 LEU HD1% 1.0 . 3.94 8 8 A 4 LEU H A 4 LEU HD2% 1.0 . 3.85 9 9 A 6 PHE H A 6 PHE HBy 1.0 . 2.75 10 10 A 6 PHE H A 6 PHE HBx 1.0 . 2.75 11 11 A 7 GLY H A 7 GLY HA2 1.0 . 2.77 12 12 A 8 LYS H A 8 LYS HB2 1.0 . 2.76 13 13 A 8 LYS H A 8 LYS HB3 1.0 . 3.72 14 14 A 8 LYS H A 8 LYS HG3 1.0 . 3.91 15 15 A 8 LYS H A 8 LYS HG2 1.0 . 2.89 16 16 A 9 SER H A 9 SER HBy 1.0 . 3.66 17 17 A 10 CYS H A 10 CYS HB2 1.0 . 3.97 18 18 A 10 CYS H A 10 CYS HB3 1.0 . 3.78 19 19 A 13 SER H A 13 SER HB3 1.0 . 3.25 20 20 A 13 SER H A 13 SER HB2 1.0 . 2.95 21 21 A 14 ASN H A 14 ASN HB2 1.0 . 3.26 22 22 A 14 ASN H A 14 ASN HB3 1.0 . 3.55 23 23 A 16 GLN H A 16 GLN HB3 1.0 . 4.01 24 24 A 16 GLN H A 16 GLN HB2 1.0 . 3.02 25 25 A 16 GLN H A 16 GLN HG3 1.0 . 3.94 26 26 A 16 GLN H A 16 GLN HG2 1.0 . 3.66 27 27 A 18 CYS H A 18 CYS HB3 1.0 . 3.73 28 28 A 18 CYS H A 18 CYS HB2 1.0 . 2.92 29 29 A 19 LYS H A 19 LYS HB3 1.0 . 3.72 30 30 A 19 LYS H A 19 LYS HGy 1.0 . 3.67 31 31 A 19 LYS H A 19 LYS HGx 1.0 . 3.67 32 32 A 19 LYS H A 19 LYS HDy 1.0 . 4.42 33 33 A 19 LYS H A 19 LYS HDx 1.0 . 4.42 34 34 A 19 LYS H A 19 LYS HE2 1.0 . 4.91 35 34 A 19 LYS H A 19 LYS HE3 1.0 . 4.91 36 35 A 20 SER H A 20 SER HBy 1.0 . 3.86 37 36 A 20 SER H A 20 SER HBx 1.0 . 3.86 38 37 A 19 LYS HA A 22 SER H 1.0 . 3.85 39 38 A 22 SER H A 20 SER HA 1.0 . 4.19 40 39 A 23 LEU H A 23 LEU HB2 1.0 . 2.86 41 40 A 23 LEU H A 23 LEU HB3 1.0 . 3.84 42 41 A 23 LEU H A 23 LEU HD1% 1.0 . 4.24 43 42 A 23 LEU H A 23 LEU HG 1.0 . 3.19 44 43 A 23 LEU H A 23 LEU HD2% 1.0 . 3.85 45 44 A 24 ALA H A 24 ALA HB% 1.0 . 3.04 46 45 A 28 LYS H A 28 LYS HGy 1.0 . 4.79 47 46 A 28 LYS H A 28 LYS HBy 1.0 . 3.44 48 47 A 28 LYS H A 28 LYS HE2 1.0 . 5.50 49 47 A 28 LYS H A 28 LYS HE3 1.0 . 5.50 50 48 A 33 LYS H A 33 LYS HB3 1.0 . 3.70 51 49 A 33 LYS H A 33 LYS HB2 1.0 . 3.87 52 50 A 33 LYS H A 33 LYS HG3 1.0 . 3.76 53 51 A 33 LYS H A 33 LYS HG2 1.0 . 3.78 54 52 A 33 LYS H A 33 LYS HD2 1.0 . 4.64 55 53 A 33 LYS H A 33 LYS HEy 1.0 . 5.50 56 54 A 33 LYS H A 33 LYS HEx 1.0 . 5.50 57 55 A 34 TYR H A 34 TYR HB3 1.0 . 3.66 58 56 A 34 TYR H A 34 TYR HB2 1.0 . 2.89 59 57 A 35 GLU H A 35 GLU HBy 1.0 . 3.57 60 58 A 35 GLU H A 35 GLU HBx 1.0 . 3.57 61 59 A 2 ALA H A 3 CYS H 1.0 . 3.90 62 60 A 3 CYS H A 2 ALA HA 1.0 . 2.54 63 61 A 2 ALA HB% A 3 CYS H 1.0 . 3.48 64 62 A 3 CYS H A 4 LEU HA 1.0 . 5.12 65 63 A 3 CYS H A 4 LEU H 1.0 . 4.39 66 64 A 4 LEU H A 18 CYS H 1.0 . 3.57 67 65 A 4 LEU H A 18 CYS HA 1.0 . 4.12 68 66 A 4 LEU H A 17 CYS HA 1.0 . 2.52 69 67 A 3 CYS HB3 A 4 LEU H 1.0 . 3.54 70 68 A 3 CYS HB2 A 4 LEU H 1.0 . 2.92 71 69 A 4 LEU H A 8 LYS HG3 1.0 . 5.50 72 70 A 4 LEU H A 16 GLN HB2 1.0 . 5.50 73 71 A 8 LYS HB2 A 5 GLY H 1.0 . 4.25 74 72 A 4 LEU HB2 A 5 GLY H 1.0 . 4.72 75 73 A 8 LYS HB3 A 5 GLY H 1.0 . 5.11 76 74 A 8 LYS HG3 A 5 GLY H 1.0 . 3.32 77 75 A 4 LEU HB3 A 5 GLY H 1.0 . 3.56 78 76 A 8 LYS HG2 A 5 GLY H 1.0 . 3.77 79 77 A 4 LEU HD2% A 5 GLY H 1.0 . 3.96 80 78 A 4 LEU HA A 5 GLY H 1.0 . 2.56 81 79 A 6 PHE H A 5 GLY H 1.0 . 4.75 82 80 A 4 LEU H A 5 GLY H 1.0 . 4.35 83 81 A 23 LEU HD1% A 5 GLY H 1.0 . 4.33 84 82 A 6 PHE H A 8 LYS H 1.0 . 5.32 85 83 A 6 PHE H A 6 PHE HD% 1.0 . 4.20 86 84 A 6 PHE H A 5 GLY HAy 1.0 . 2.82 87 85 A 6 PHE H A 32 CYS HB2 1.0 . 5.06 88 86 A 6 PHE H A 8 LYS HG2 1.0 . 4.51 89 87 A 6 PHE H A 23 LEU HD1% 1.0 . 2.96 90 88 A 6 PHE H A 23 LEU HD2% 1.0 . 3.71 91 89 A 6 PHE H A 23 LEU HB3 1.0 . 5.50 92 90 A 7 GLY H A 32 CYS HB3 1.0 . 4.04 93 91 A 7 GLY H A 8 LYS HB2 1.0 . 4.65 94 92 A 7 GLY H A 8 LYS HG2 1.0 . 4.84 95 93 A 7 GLY H A 23 LEU HD1% 1.0 . 4.29 96 94 A 7 GLY H A 23 LEU HD2% 1.0 . 4.31 97 95 A 7 GLY H A 32 CYS HB2 1.0 . 3.23 98 96 A 7 GLY H A 33 LYS HA 1.0 . 4.57 99 97 A 7 GLY H A 6 PHE HD% 1.0 . 3.65 100 98 A 7 GLY H A 8 LYS H 1.0 . 3.21 101 99 A 8 LYS H A 23 LEU HD1% 1.0 . 4.63 102 100 A 4 LEU HB3 A 8 LYS H 1.0 . 4.57 103 101 A 8 LYS H A 32 CYS HB3 1.0 . 4.34 104 102 A 8 LYS H A 32 CYS HB2 1.0 . 3.24 105 103 A 8 LYS H A 7 GLY HA3 1.0 . 3.50 106 104 A 8 LYS H A 32 CYS H 1.0 . 3.64 107 105 A 8 LYS H A 6 PHE HD% 1.0 . 5.50 108 106 A 8 LYS H A 9 SER H 1.0 . 4.65 109 107 A 9 SER H A 31 TRP HA 1.0 . 5.50 110 108 A 9 SER H A 8 LYS HA 1.0 . 2.47 111 109 A 9 SER H A 31 TRP HB2 1.0 . 5.50 112 110 A 8 LYS HB2 A 9 SER H 1.0 . 3.88 113 111 A 8 LYS HB3 A 9 SER H 1.0 . 3.13 114 112 A 8 LYS HG3 A 9 SER H 1.0 . 5.12 115 113 A 8 LYS HG2 A 9 SER H 1.0 . 4.96 116 114 A 4 LEU HB3 A 9 SER H 1.0 . 5.44 117 115 A 10 CYS H A 9 SER HBx 1.0 . 4.53 118 116 A 10 CYS H A 31 TRP HB3 1.0 . 4.66 119 117 A 8 LYS HB2 A 10 CYS H 1.0 . 5.50 120 118 A 10 CYS H A 31 TRP HA 1.0 . 3.26 121 119 A 10 CYS H A 11 ASN H 1.0 . 4.56 122 120 A 16 GLN H A 11 ASN H 1.0 . 4.22 123 121 A 11 ASN H A 11 ASN HD21 1.0 . 5.36 124 122 A 11 ASN H A 10 CYS HA 1.0 . 3.02 125 123 A 11 ASN H A 15 ASP HA 1.0 . 4.11 126 124 A 11 ASN H A 12 PRO HD2 1.0 . 5.05 127 125 A 11 ASN H A 12 PRO HD3 1.0 . 5.13 128 126 A 10 CYS HB2 A 11 ASN H 1.0 . 2.87 129 127 A 11 ASN H A 11 ASN HB3 1.0 . 3.18 130 128 A 11 ASN H A 11 ASN HB2 1.0 . 3.24 131 129 A 16 GLN HB2 A 11 ASN H 1.0 . 4.85 132 130 A 4 LEU HD1% A 11 ASN H 1.0 . 4.35 133 131 A 13 SER H A 11 ASN HA 1.0 . 4.53 134 132 A 13 SER H A 11 ASN HB3 1.0 . 4.30 135 133 A 13 SER H A 11 ASN HB2 1.0 . 4.99 136 134 A 13 SER H A 14 ASN HB2 1.0 . 5.40 137 135 A 13 SER H A 14 ASN HB3 1.0 . 5.50 138 136 A 13 SER H A 12 PRO HG3 1.0 . 3.91 139 137 A 13 SER H A 12 PRO HB2 1.0 . 3.59 140 138 A 13 SER H A 15 ASP H 1.0 . 5.11 141 139 A 14 ASN H A 11 ASN HB2 1.0 . 4.49 142 140 A 14 ASN H A 11 ASN HB3 1.0 . 3.38 143 141 A 13 SER HB2 A 14 ASN H 1.0 . 4.06 144 142 A 13 SER HB3 A 14 ASN H 1.0 . 3.95 145 143 A 14 ASN H A 15 ASP HA 1.0 . 4.36 146 144 A 14 ASN H A 13 SER HA 1.0 . 3.56 147 145 A 14 ASN H A 11 ASN HA 1.0 . 4.72 148 146 A 14 ASN H A 11 ASN HD22 1.0 . 4.92 149 147 A 14 ASN H A 15 ASP H 1.0 . 3.36 150 148 A 14 ASN H A 11 ASN H 1.0 . 4.71 151 149 A 13 SER H A 14 ASN H 1.0 . 2.73 152 150 A 16 GLN H A 15 ASP H 1.0 . 4.58 153 151 A 15 ASP H A 14 ASN HA 1.0 . 2.71 154 152 A 15 ASP H A 12 PRO HA 1.0 . 4.43 155 153 A 15 ASP H A 25 CYS HB3 1.0 . 4.13 156 154 A 15 ASP H A 13 SER HA 1.0 . 5.24 157 155 A 14 ASN HB2 A 15 ASP H 1.0 . 4.72 158 156 A 15 ASP H A 25 CYS H 1.0 . 5.50 159 157 A 4 LEU HD1% A 16 GLN H 1.0 . 3.81 160 158 A 16 GLN H A 25 CYS HB3 1.0 . 4.29 161 159 A 10 CYS HB3 A 16 GLN H 1.0 . 4.55 162 160 A 10 CYS HB2 A 16 GLN H 1.0 . 3.69 163 161 A 16 GLN H A 15 ASP HA 1.0 . 2.60 164 162 A 16 GLN H A 10 CYS HA 1.0 . 4.88 165 163 A 16 GLN H A 17 CYS HA 1.0 . 4.86 166 164 A 16 GLN H A 17 CYS H 1.0 . 3.57 167 165 A 17 CYS H A 24 ALA HA 1.0 . 4.35 168 166 A 17 CYS H A 25 CYS HB2 1.0 . 4.65 169 167 A 10 CYS HB3 A 17 CYS H 1.0 . 5.50 170 168 A 17 CYS H A 17 CYS HB2 1.0 . 2.81 171 169 A 17 CYS H A 17 CYS HB3 1.0 . 3.74 172 170 A 24 ALA HB% A 17 CYS H 1.0 . 5.50 173 171 A 4 LEU HD1% A 17 CYS H 1.0 . 4.72 174 172 A 4 LEU H A 17 CYS H 1.0 . 5.03 175 173 A 4 LEU HG A 17 CYS H 1.0 . 5.50 176 174 A 16 GLN HG2 A 17 CYS H 1.0 . 4.79 177 175 A 17 CYS H A 16 GLN HA 1.0 . 3.39 178 176 A 25 CYS H A 17 CYS H 1.0 . 5.42 179 177 A 18 CYS H A 24 ALA H 1.0 . 5.50 180 178 A 18 CYS H A 5 GLY H 1.0 . 5.41 181 179 A 18 CYS H A 23 LEU H 1.0 . 5.06 182 180 A 18 CYS H A 17 CYS HA 1.0 . 2.78 183 181 A 18 CYS H A 23 LEU HA 1.0 . 5.50 184 182 A 18 CYS H A 4 LEU HA 1.0 . 5.41 185 183 A 18 CYS H A 19 LYS HA 1.0 . 5.50 186 184 A 3 CYS HB3 A 18 CYS H 1.0 . 4.87 187 185 A 18 CYS H A 17 CYS HB2 1.0 . 4.31 188 186 A 18 CYS H A 17 CYS HB3 1.0 . 3.37 189 187 A 18 CYS H A 23 LEU HB2 1.0 . 3.24 190 188 A 4 LEU HB3 A 18 CYS H 1.0 . 5.32 191 189 A 18 CYS H A 23 LEU HD1% 1.0 . 3.11 192 190 A 18 CYS H A 23 LEU HB3 1.0 . 4.07 193 191 A 18 CYS H A 23 LEU HD2% 1.0 . 4.93 194 192 A 18 CYS H A 32 CYS HB3 1.0 . 5.31 195 193 A 18 CYS H A 19 LYS H 1.0 . 4.91 196 194 A 19 LYS H A 21 SER H 1.0 . 4.88 197 195 A 19 LYS H A 18 CYS HA 1.0 . 2.63 198 196 A 3 CYS HB3 A 19 LYS H 1.0 . 4.32 199 197 A 18 CYS HB3 A 19 LYS H 1.0 . 3.89 200 198 A 18 CYS HB2 A 19 LYS H 1.0 . 4.56 201 199 A 19 LYS H A 23 LEU HD1% 1.0 . 5.50 202 200 A 20 SER H A 18 CYS HA 1.0 . 4.04 203 201 A 18 CYS HB3 A 20 SER H 1.0 . 4.21 204 202 A 18 CYS HB2 A 20 SER H 1.0 . 5.08 205 203 A 20 SER H A 19 LYS HB2 1.0 . 3.95 206 204 A 20 SER H A 21 SER H 1.0 . 3.33 207 205 A 18 CYS HA A 21 SER H 1.0 . 4.40 208 206 A 18 CYS HB3 A 21 SER H 1.0 . 3.40 209 207 A 18 CYS HB2 A 21 SER H 1.0 . 3.68 210 208 A 21 SER H A 19 LYS HB2 1.0 . 5.29 211 209 A 23 LEU HB2 A 21 SER H 1.0 . 4.75 212 210 A 23 LEU HG A 21 SER H 1.0 . 4.17 213 211 A 23 LEU HD1% A 21 SER H 1.0 . 4.46 214 212 A 20 SER H A 22 SER H 1.0 . 4.25 215 213 A 22 SER H A 21 SER H 1.0 . 2.64 216 214 A 19 LYS HB3 A 22 SER H 1.0 . 4.95 217 215 A 22 SER H A 23 LEU HB2 1.0 . 5.05 218 216 A 22 SER H A 23 LEU HG 1.0 . 4.59 219 217 A 22 SER H A 23 LEU HD1% 1.0 . 5.44 220 218 A 22 SER H A 22 SER HA 1.0 . 2.52 221 219 A 19 LYS HB3 A 23 LEU H 1.0 . 4.94 222 220 A 23 LEU H A 17 CYS HB3 1.0 . 4.94 223 221 A 18 CYS HB2 A 23 LEU H 1.0 . 4.90 224 222 A 23 LEU H A 22 SER HA 1.0 . 3.14 225 223 A 19 LYS HA A 23 LEU H 1.0 . 3.15 226 224 A 22 SER H A 23 LEU H 1.0 . 3.26 227 225 A 19 LYS H A 23 LEU H 1.0 . 5.13 228 226 A 23 LEU HD1% A 24 ALA H 1.0 . 4.71 229 227 A 23 LEU HB3 A 24 ALA H 1.0 . 3.24 230 228 A 23 LEU HD2% A 24 ALA H 1.0 . 3.56 231 229 A 23 LEU HB2 A 24 ALA H 1.0 . 3.78 232 230 A 24 ALA H A 32 CYS HB3 1.0 . 4.32 233 231 A 24 ALA H A 17 CYS HB3 1.0 . 4.19 234 232 A 24 ALA H A 17 CYS HB2 1.0 . 4.31 235 233 A 24 ALA H A 23 LEU HA 1.0 . 2.67 236 234 A 23 LEU H A 24 ALA H 1.0 . 4.82 237 235 A 24 ALA H A 32 CYS HA 1.0 . 4.17 238 236 A 24 ALA H A 34 TYR H 1.0 . 5.50 239 237 A 25 CYS H A 24 ALA HA 1.0 . 3.13 240 238 A 25 CYS H A 25 CYS HB2 1.0 . 3.50 241 239 A 25 CYS HB3 A 25 CYS H 1.0 . 3.58 242 240 A 24 ALA HB% A 25 CYS H 1.0 . 3.54 243 241 A 26 SER H A 26 SER HB2 1.0 . 3.35 244 242 A 26 SER H A 26 SER HB3 1.0 . 3.17 245 243 A 25 CYS HB2 A 26 SER H 1.0 . 4.61 246 244 A 33 LYS HG3 A 26 SER H 1.0 . 4.52 247 245 A 26 SER H A 30 LYS H 1.0 . 4.92 248 246 A 28 LYS H A 30 LYS H 1.0 . 4.19 249 247 A 28 LYS H A 27 THR H 1.0 . 3.26 250 248 A 28 LYS H A 26 SER HA 1.0 . 4.15 251 249 A 28 LYS H A 27 THR HB 1.0 . 3.84 252 250 A 28 LYS H A 28 LYS HBx 1.0 . 3.44 253 251 A 28 LYS H A 28 LYS HGx 1.0 . 4.79 254 252 A 28 LYS H A 29 HIS H 1.0 . 3.27 255 253 A 26 SER HB2 A 29 HIS H 1.0 . 4.68 256 254 A 26 SER HB3 A 29 HIS H 1.0 . 4.17 257 255 A 29 HIS H A 29 HIS HB2 1.0 . 3.76 258 256 A 29 HIS H A 28 LYS HBy 1.0 . 4.00 259 257 A 29 HIS H A 28 LYS HBx 1.0 . 4.00 260 258 A 30 LYS H A 29 HIS H 1.0 . 3.52 261 259 A 29 HIS H A 29 HIS HD2 1.0 . 4.77 262 260 A 32 CYS H A 31 TRP HB2 1.0 . 3.31 263 261 A 10 CYS HB3 A 32 CYS H 1.0 . 4.69 264 262 A 7 GLY HA2 A 32 CYS H 1.0 . 4.84 265 263 A 8 LYS HB2 A 32 CYS H 1.0 . 4.05 266 264 A 8 LYS HB3 A 32 CYS H 1.0 . 5.21 267 265 A 4 LEU HD1% A 32 CYS H 1.0 . 5.43 268 266 A 23 LEU HD1% A 32 CYS H 1.0 . 5.50 269 267 A 32 CYS H A 6 PHE HA 1.0 . 4.65 270 268 A 32 CYS H A 25 CYS HA 1.0 . 4.78 271 269 A 32 CYS H A 31 TRP HA 1.0 . 2.73 272 270 A 32 CYS H A 31 TRP HD1 1.0 . 5.07 273 271 A 32 CYS H A 26 SER H 1.0 . 5.50 274 272 A 33 LYS H A 32 CYS H 1.0 . 4.40 275 273 A 7 GLY H A 32 CYS H 1.0 . 4.19 276 274 A 24 ALA H A 33 LYS H 1.0 . 3.69 277 275 A 33 LYS H A 26 SER H 1.0 . 4.51 278 276 A 33 LYS H A 23 LEU HA 1.0 . 4.65 279 277 A 33 LYS H A 25 CYS HA 1.0 . 3.89 280 278 A 33 LYS H A 32 CYS HB2 1.0 . 4.63 281 279 A 33 LYS H A 32 CYS HB3 1.0 . 4.15 282 280 A 23 LEU HB3 A 33 LYS H 1.0 . 4.47 283 281 A 23 LEU HD2% A 33 LYS H 1.0 . 4.24 284 282 A 33 LYS HB2 A 34 TYR H 1.0 . 3.22 285 283 A 23 LEU HD2% A 34 TYR H 1.0 . 3.81 286 284 A 34 TYR H A 33 LYS HA 1.0 . 3.10 287 285 A 34 TYR H A 6 PHE HD% 1.0 . 4.05 288 286 A 34 TYR H A 34 TYR HD% 1.0 . 3.35 289 287 A 34 TYR H A 6 PHE HE% 1.0 . 3.55 290 288 A 34 TYR H A 35 GLU H 1.0 . 4.60 291 289 A 23 LEU HG A 35 GLU H 1.0 . 5.50 292 290 A 24 ALA HB% A 35 GLU H 1.0 . 4.72 293 291 A 23 LEU HD2% A 35 GLU H 1.0 . 4.06 294 292 A 34 TYR HB2 A 35 GLU H 1.0 . 4.51 295 293 A 34 TYR HB3 A 35 GLU H 1.0 . 3.42 296 294 A 35 GLU H A 34 TYR HA 1.0 . 2.73 297 295 A 35 GLU H A 34 TYR HD% 1.0 . 3.83 298 296 A 35 GLU H A 36 LEU H 1.0 . 4.34 299 297 A 36 LEU H A 35 GLU HA 1.0 . 2.79 300 298 A 34 TYR HB3 A 36 LEU H 1.0 . 4.86 301 299 A 34 TYR HB2 A 36 LEU H 1.0 . 5.50 302 300 A 36 LEU H A 36 LEU HD1% 1.0 . 5.50 303 301 A 36 LEU H A 36 LEU HD2% 1.0 . 5.50 304 302 A 33 LYS HB3 A 31 TRP HE1 1.0 . 4.62 305 303 A 33 LYS HB2 A 31 TRP HE1 1.0 . 4.32 306 304 A 29 HIS HB2 A 31 TRP HE1 1.0 . 3.88 307 305 A 33 LYS HD2 A 31 TRP HE1 1.0 . 5.15 308 306 A 27 THR H A 26 SER HA 1.0 . 3.16 309 307 A 27 THR H A 27 THR HB 1.0 . 4.07 310 308 A 26 SER HB2 A 27 THR H 1.0 . 4.87 311 309 A 13 SER HB2 A 11 ASN HD22 1.0 . 4.45 312 310 A 11 ASN HB2 A 11 ASN HD22 1.0 . 4.01 313 311 A 14 ASN HB2 A 11 ASN HD22 1.0 . 4.33 314 312 A 11 ASN HD21 A 11 ASN HB2 1.0 . 3.52 315 313 A 14 ASN HB2 A 11 ASN HD21 1.0 . 4.20 316 314 A 33 LYS HG3 A 31 TRP HE1 1.0 . 5.18 317 315 A 19 LYS H A 19 LYS HB2 1.0 . 2.88 318 316 A 4 LEU HD1% A 10 CYS H 1.0 . 4.76 319 317 A 28 LYS H A 28 LYS HDy 1.0 . 5.50 320 318 A 28 LYS H A 28 LYS HDx 1.0 . 5.50 321 319 A 28 LYS H A 27 THR HG2% 1.0 . 4.51 322 320 A 3 CYS H A 4 LEU HG 1.0 . 5.50 323 321 A 4 LEU H A 17 CYS HB3 1.0 . 4.93 324 322 A 4 LEU H A 18 CYS HB2 1.0 . 4.85 325 323 A 4 LEU HD2% A 8 LYS H 1.0 . 5.50 326 324 A 4 LEU HD2% A 9 SER H 1.0 . 4.79 327 325 A 13 SER HB2 A 11 ASN HD21 1.0 . 4.98 328 326 A 19 LYS H A 17 CYS HB3 1.0 . 5.50 329 327 A 24 ALA H A 32 CYS HB2 1.0 . 5.33 330 328 A 26 SER H A 30 LYS HA 1.0 . 4.80 331 329 A 8 LYS HG2 A 32 CYS H 1.0 . 5.50 332 330 A 23 LEU HB3 A 32 CYS H 1.0 . 5.50 333 331 A 23 LEU HD2% A 32 CYS H 1.0 . 5.50 334 332 A 34 TYR H A 33 LYS HD3 1.0 . 4.91 335 333 A 6 PHE H A 5 GLY HAx 1.0 . 2.82 336 334 A 7 GLY H A 6 PHE HA 1.0 . 2.61 337 335 A 33 LYS HG2 A 31 TRP HE1 1.0 . 4.36 338 336 A 32 CYS HB3 A 32 CYS H 1.0 . 3.65 339 337 A 32 CYS HB2 A 32 CYS H 1.0 . 2.95 340 338 A 8 LYS H A 31 TRP HB2 1.0 . 5.50 341 339 A 33 LYS H A 33 LYS HD3 1.0 . 5.50 342 340 A 4 LEU HG A 4 LEU HA 1.0 . 3.82 343 341 A 4 LEU HD1% A 4 LEU HA 1.0 . 5.07 344 342 A 4 LEU HD2% A 4 LEU HA 1.0 . 3.11 345 343 A 4 LEU HB2 A 4 LEU HD1% 1.0 . 3.31 346 344 A 4 LEU HB2 A 4 LEU HD2% 1.0 . 3.88 347 345 A 4 LEU HB3 A 4 LEU HD1% 1.0 . 3.35 348 346 A 4 LEU HB3 A 4 LEU HD2% 1.0 . 3.29 349 347 A 4 LEU HD2% A 8 LYS HB3 1.0 . 3.51 350 348 A 8 LYS HG3 A 8 LYS HA 1.0 . 3.97 351 349 A 8 LYS HG2 A 8 LYS HA 1.0 . 3.85 352 350 A 16 GLN HG3 A 16 GLN HA 1.0 . 3.99 353 351 A 16 GLN HG2 A 16 GLN HA 1.0 . 3.87 354 352 A 19 LYS HA A 19 LYS HGy 1.0 . 3.98 355 353 A 19 LYS HA A 19 LYS HGx 1.0 . 3.98 356 354 A 19 LYS HA A 19 LYS HDy 1.0 . 4.00 357 355 A 19 LYS HA A 19 LYS HDx 1.0 . 4.00 358 356 A 19 LYS HB3 A 19 LYS HDx 1.0 . 3.90 359 357 A 19 LYS HB3 A 19 LYS HDy 1.0 . 3.90 360 358 A 19 LYS HB3 A 19 LYS HE2 1.0 . 5.50 361 358 A 19 LYS HB3 A 19 LYS HE3 1.0 . 5.50 362 359 A 23 LEU HB3 A 23 LEU HD1% 1.0 . 3.52 363 360 A 23 LEU HD1% A 23 LEU HA 1.0 . 4.33 364 361 A 23 LEU HB2 A 23 LEU HD1% 1.0 . 3.40 365 362 A 23 LEU HG A 23 LEU HA 1.0 . 4.18 366 363 A 23 LEU HD2% A 23 LEU HA 1.0 . 3.26 367 364 A 23 LEU HB2 A 23 LEU HD2% 1.0 . 3.80 368 365 A 23 LEU HB3 A 23 LEU HD2% 1.0 . 3.43 369 366 A 27 THR HG2% A 27 THR HA 1.0 . 3.29 370 367 A 28 LYS HA A 28 LYS HGy 1.0 . 4.12 371 368 A 28 LYS HA A 28 LYS HDy 1.0 . 4.75 372 369 A 28 LYS HA A 28 LYS HDx 1.0 . 4.75 373 370 A 33 LYS HB3 A 33 LYS HD2 1.0 . 3.99 374 371 A 33 LYS HB2 A 33 LYS HD2 1.0 . 4.19 375 372 A 33 LYS HB2 A 33 LYS HEy 1.0 . 4.87 376 373 A 33 LYS HB2 A 33 LYS HEx 1.0 . 4.87 377 374 A 33 LYS HG2 A 33 LYS HD2 1.0 . 2.76 378 375 A 33 LYS HG2 A 33 LYS HEy 1.0 . 3.97 379 376 A 33 LYS HG2 A 33 LYS HEx 1.0 . 3.97 380 377 A 12 PRO HA A 25 CYS HB3 1.0 . 3.26 381 378 A 14 ASN HB2 A 11 ASN HB3 1.0 . 4.88 382 379 A 14 ASN HB3 A 11 ASN HB3 1.0 . 4.63 383 380 A 16 GLN HB2 A 3 CYS HA 1.0 . 5.50 384 381 A 3 CYS HB3 A 18 CYS HA 1.0 . 3.55 385 382 A 3 CYS HB2 A 18 CYS HA 1.0 . 3.17 386 383 A 3 CYS HB2 A 19 LYS H 1.0 . 5.21 387 384 A 3 CYS HB2 A 18 CYS H 1.0 . 4.25 388 385 A 8 LYS HB2 A 4 LEU HA 1.0 . 5.01 389 386 A 4 LEU HB2 A 17 CYS HA 1.0 . 3.11 390 387 A 4 LEU HB2 A 18 CYS H 1.0 . 4.61 391 388 A 4 LEU HB3 A 17 CYS HA 1.0 . 3.87 392 389 A 4 LEU HG A 3 CYS HA 1.0 . 4.77 393 390 A 4 LEU HG A 17 CYS HA 1.0 . 5.10 394 391 A 4 LEU HB2 A 8 LYS HB2 1.0 . 4.12 395 392 A 4 LEU HB3 A 8 LYS HB2 1.0 . 3.36 396 393 A 4 LEU HD1% A 10 CYS HA 1.0 . 4.31 397 394 A 4 LEU HD2% A 3 CYS HA 1.0 . 4.93 398 395 A 4 LEU HD2% A 17 CYS HA 1.0 . 5.42 399 396 A 4 LEU HD2% A 8 LYS HDy 1.0 . 5.16 400 397 A 4 LEU HD2% A 8 LYS HDx 1.0 . 5.16 401 398 A 23 LEU HD1% A 5 GLY HAy 1.0 . 3.64 402 399 A 8 LYS H A 6 PHE HA 1.0 . 4.35 403 400 A 23 LEU HD2% A 6 PHE HA 1.0 . 3.55 404 401 A 23 LEU HD1% A 6 PHE HBy 1.0 . 4.29 405 402 A 23 LEU HD1% A 6 PHE HBx 1.0 . 4.29 406 403 A 6 PHE HD% A 7 GLY HA3 1.0 . 4.20 407 404 A 7 GLY HA2 A 6 PHE HD% 1.0 . 4.56 408 405 A 7 GLY HA2 A 31 TRP HE3 1.0 . 4.30 409 406 A 4 LEU HD2% A 8 LYS HB2 1.0 . 3.91 410 407 A 4 LEU HD2% A 8 LYS HG3 1.0 . 4.56 411 408 A 23 LEU HD1% A 5 GLY HAx 1.0 . 3.64 412 409 A 4 LEU HB3 A 8 LYS HB3 1.0 . 4.13 413 410 A 10 CYS H A 9 SER HBy 1.0 . 4.53 414 411 A 13 SER HB3 A 14 ASN HA 1.0 . 4.65 415 412 A 10 CYS HB2 A 25 CYS HB3 1.0 . 4.56 416 413 A 4 LEU HD1% A 10 CYS HB2 1.0 . 3.65 417 414 A 4 LEU HB2 A 10 CYS HB3 1.0 . 5.02 418 415 A 4 LEU HD1% A 10 CYS HB3 1.0 . 3.35 419 416 A 10 CYS HB3 A 31 TRP HA 1.0 . 5.18 420 417 A 10 CYS HB3 A 11 ASN H 1.0 . 4.06 421 418 A 12 PRO HA A 27 THR HG2% 1.0 . 4.93 422 419 A 12 PRO HA A 25 CYS HB2 1.0 . 4.57 423 420 A 13 SER HA A 12 PRO HA 1.0 . 4.79 424 421 A 14 ASN H A 12 PRO HA 1.0 . 4.96 425 422 A 12 PRO HA A 25 CYS H 1.0 . 5.50 426 423 A 27 THR HG2% A 12 PRO HB3 1.0 . 3.92 427 424 A 12 PRO HB2 A 27 THR HG2% 1.0 . 4.40 428 425 A 12 PRO HG3 A 27 THR HG2% 1.0 . 4.10 429 426 A 12 PRO HG3 A 30 LYS HG2 1.0 . 4.14 430 427 A 30 LYS HG2 A 12 PRO HG2 1.0 . 4.74 431 428 A 27 THR HG2% A 12 PRO HG2 1.0 . 4.41 432 429 A 12 PRO HG2 A 30 LYS HD2 1.0 . 5.43 433 430 A 12 PRO HD2 A 30 LYS HB3 1.0 . 5.50 434 431 A 12 PRO HD2 A 30 LYS HG2 1.0 . 4.25 435 432 A 12 PRO HD2 A 30 LYS HD2 1.0 . 5.50 436 433 A 12 PRO HD2 A 11 ASN HB2 1.0 . 5.26 437 434 A 12 PRO HD2 A 11 ASN HA 1.0 . 3.05 438 435 A 13 SER H A 12 PRO HD2 1.0 . 4.19 439 436 A 12 PRO HD3 A 11 ASN HB2 1.0 . 5.04 440 437 A 12 PRO HD3 A 30 LYS HD2 1.0 . 4.60 441 438 A 12 PRO HD3 A 30 LYS HG2 1.0 . 3.63 442 439 A 13 SER H A 12 PRO HD3 1.0 . 4.65 443 440 A 10 CYS HB3 A 17 CYS HB2 1.0 . 5.50 444 441 A 25 CYS HB3 A 12 PRO HB3 1.0 . 4.94 445 442 A 12 PRO HD2 A 27 THR HG2% 1.0 . 5.30 446 443 A 12 PRO HD3 A 27 THR HG2% 1.0 . 4.96 447 444 A 12 PRO HD3 A 30 LYS HB3 1.0 . 4.69 448 445 A 12 PRO HG3 A 30 LYS HD2 1.0 . 5.50 449 446 A 15 ASP HA A 12 PRO HA 1.0 . 4.74 450 447 A 13 SER HB3 A 11 ASN HD22 1.0 . 5.15 451 448 A 9 SER H A 9 SER HBx 1.0 . 3.66 452 449 A 13 SER HB2 A 14 ASN HB2 1.0 . 5.50 453 450 A 14 ASN HB3 A 11 ASN HD22 1.0 . 5.50 454 451 A 14 ASN HB3 A 11 ASN HD21 1.0 . 4.34 455 452 A 16 GLN HB2 A 15 ASP HA 1.0 . 4.77 456 453 A 15 ASP HA A 17 CYS H 1.0 . 5.03 457 454 A 14 ASN HB3 A 15 ASP HA 1.0 . 5.10 458 455 A 16 GLN HB3 A 3 CYS HA 1.0 . 4.44 459 456 A 4 LEU H A 16 GLN HB3 1.0 . 5.14 460 457 A 4 LEU HG A 16 GLN HB3 1.0 . 4.43 461 458 A 4 LEU HD1% A 16 GLN HB3 1.0 . 4.01 462 459 A 4 LEU HD1% A 16 GLN HB2 1.0 . 3.75 463 460 A 4 LEU HD1% A 16 GLN HG3 1.0 . 4.87 464 461 A 4 LEU HD1% A 17 CYS HA 1.0 . 4.65 465 462 A 23 LEU HB2 A 17 CYS HB2 1.0 . 3.79 466 463 A 23 LEU HB3 A 17 CYS HB2 1.0 . 3.73 467 464 A 24 ALA HA A 17 CYS HB2 1.0 . 3.37 468 465 A 25 CYS H A 17 CYS HB2 1.0 . 4.54 469 466 A 23 LEU HB2 A 17 CYS HB3 1.0 . 3.24 470 467 A 23 LEU HD1% A 17 CYS HB3 1.0 . 4.29 471 468 A 23 LEU HB3 A 17 CYS HB3 1.0 . 3.18 472 469 A 23 LEU HD2% A 17 CYS HB3 1.0 . 4.70 473 470 A 18 CYS HB3 A 23 LEU HD1% 1.0 . 3.78 474 471 A 18 CYS HB2 A 23 LEU HD1% 1.0 . 3.25 475 472 A 32 CYS HB3 A 17 CYS HB3 1.0 . 4.35 476 473 A 19 LYS HB3 A 20 SER HA 1.0 . 5.10 477 474 A 23 LEU HG A 21 SER HBy 1.0 . 4.01 478 475 A 23 LEU HD1% A 21 SER HBy 1.0 . 4.14 479 476 A 23 LEU HG A 21 SER HBx 1.0 . 4.01 480 477 A 23 LEU HD1% A 21 SER HBx 1.0 . 4.14 481 478 A 22 SER HA A 21 SER HA 1.0 . 5.09 482 479 A 34 TYR HE% A 22 SER HBy 1.0 . 5.50 483 480 A 34 TYR HD% A 22 SER HBy 1.0 . 4.56 484 481 A 34 TYR HE% A 22 SER HBx 1.0 . 5.50 485 482 A 34 TYR HD% A 22 SER HBx 1.0 . 4.56 486 483 A 23 LEU HB3 A 32 CYS HB2 1.0 . 4.18 487 484 A 23 LEU HD2% A 6 PHE HBx 1.0 . 4.05 488 485 A 23 LEU HD2% A 6 PHE HBy 1.0 . 4.05 489 486 A 23 LEU HD2% A 21 SER HBx 1.0 . 4.80 490 487 A 23 LEU HD2% A 22 SER HA 1.0 . 5.50 491 488 A 23 LEU HD2% A 21 SER HBy 1.0 . 4.80 492 489 A 23 LEU HD2% A 21 SER H 1.0 . 5.50 493 490 A 23 LEU HD2% A 6 PHE HE% 1.0 . 5.01 494 491 A 24 ALA HA A 17 CYS HB3 1.0 . 4.23 495 492 A 24 ALA HA A 25 CYS HB2 1.0 . 4.60 496 493 A 27 THR HA A 30 LYS HG2 1.0 . 4.46 497 494 A 27 THR HA A 30 LYS HD3 1.0 . 4.64 498 495 A 12 PRO HG3 A 27 THR HA 1.0 . 3.39 499 496 A 26 SER HA A 27 THR HA 1.0 . 4.80 500 497 A 30 LYS H A 27 THR HA 1.0 . 5.19 501 498 A 27 THR H A 27 THR HG2% 1.0 . 3.85 502 499 A 8 LYS HB2 A 32 CYS HB2 1.0 . 4.57 503 500 A 23 LEU HD1% A 32 CYS HB2 1.0 . 3.98 504 501 A 23 LEU HD2% A 32 CYS HB2 1.0 . 4.25 505 502 A 32 CYS HB2 A 6 PHE HA 1.0 . 3.71 506 503 A 32 CYS HB3 A 6 PHE HA 1.0 . 3.96 507 504 A 32 CYS HB3 A 17 CYS HB2 1.0 . 4.44 508 505 A 23 LEU HB2 A 32 CYS HB3 1.0 . 3.88 509 506 A 23 LEU HD1% A 32 CYS HB3 1.0 . 3.52 510 507 A 23 LEU HB3 A 32 CYS HB3 1.0 . 3.30 511 508 A 23 LEU HD2% A 32 CYS HB3 1.0 . 3.72 512 509 A 33 LYS HB3 A 34 TYR H 1.0 . 4.10 513 510 A 33 LYS HB2 A 26 SER HB2 1.0 . 5.03 514 511 A 33 LYS HB2 A 6 PHE HD% 1.0 . 5.50 515 512 A 33 LYS HB2 A 31 TRP HD1 1.0 . 5.50 516 513 A 33 LYS HB2 A 6 PHE HZ 1.0 . 5.50 517 514 A 8 LYS HB2 A 32 CYS HB3 1.0 . 5.21 518 515 A 33 LYS HG3 A 26 SER HB2 1.0 . 4.83 519 516 A 33 LYS HG3 A 34 TYR H 1.0 . 5.19 520 517 A 32 CYS HB3 A 24 ALA HA 1.0 . 5.50 521 518 A 33 LYS HB3 A 6 PHE HZ 1.0 . 5.50 522 519 A 35 GLU HA A 36 LEU HB2 1.0 . 5.07 523 519 A 35 GLU HA A 36 LEU HB3 1.0 . 5.07 524 520 A 35 GLU HA A 36 LEU HG 1.0 . 5.50 525 521 A 23 LEU HD2% A 33 LYS HB3 1.0 . 5.50 526 522 A 24 ALA HB% A 25 CYS HB3 1.0 . 4.91 527 523 A 24 ALA HB% A 17 CYS HB2 1.0 . 4.53 528 524 A 24 ALA HB% A 19 LYS HE2 1.0 . 5.09 529 524 A 19 LYS HE3 A 24 ALA HB% 1.0 . 5.09 530 525 A 24 ALA HB% A 25 CYS HB2 1.0 . 5.50 531 526 A 24 ALA HB% A 23 LEU HA 1.0 . 4.66 532 527 A 28 LYS HA A 28 LYS HGx 1.0 . 4.12 533 528 A 33 LYS HB3 A 29 HIS HB2 1.0 . 4.84 534 529 A 33 LYS HB2 A 29 HIS HB2 1.0 . 5.50 535 530 A 18 CYS HB2 A 23 LEU HB2 1.0 . 4.37 536 531 A 18 CYS HB3 A 19 LYS HA 1.0 . 5.33 537 532 A 18 CYS HB2 A 23 LEU HG 1.0 . 4.49 538 533 A 34 TYR HB3 A 36 LEU HB2 1.0 . 5.50 539 533 A 34 TYR HB3 A 36 LEU HB3 1.0 . 5.50 540 534 A 34 TYR HB3 A 36 LEU HG 1.0 . 5.50 541 535 A 34 TYR HB3 A 36 LEU HD1% 1.0 . 5.50 542 536 A 34 TYR HB3 A 36 LEU HD2% 1.0 . 5.50 543 537 A 23 LEU HD2% A 34 TYR HB3 1.0 . 4.97 544 538 A 23 LEU HD2% A 34 TYR HB2 1.0 . 4.61 545 539 A 24 ALA HB% A 35 GLU HA 1.0 . 5.12 546 540 A 23 LEU HB2 A 22 SER HA 1.0 . 5.44 547 541 A 12 PRO HD3 A 11 ASN HA 1.0 . 2.86 548 542 A 11 ASN HA A 12 PRO HG3 1.0 . 4.51 549 543 A 11 ASN HA A 12 PRO HG2 1.0 . 4.62 550 544 A 11 ASN HA A 30 LYS HG2 1.0 . 5.09 551 545 A 26 SER HB3 A 25 CYS HA 1.0 . 5.20 552 546 A 15 ASP HA A 25 CYS HA 1.0 . 5.50 553 547 A 26 SER HB2 A 25 CYS HA 1.0 . 5.50 554 548 A 24 ALA HB% A 25 CYS HA 1.0 . 4.34 555 549 A 32 CYS HA A 25 CYS HA 1.0 . 3.59 556 550 A 26 SER H A 25 CYS HA 1.0 . 3.12 557 551 A 26 SER HB2 A 29 HIS HB2 1.0 . 4.37 558 552 A 33 LYS HG2 A 26 SER HB2 1.0 . 3.73 559 553 A 26 SER HB3 A 30 LYS H 1.0 . 4.11 560 554 A 26 SER HB3 A 29 HIS HB2 1.0 . 3.82 561 555 A 33 LYS HG2 A 26 SER HB3 1.0 . 4.88 562 556 A 33 LYS HB3 A 26 SER HB2 1.0 . 4.95 563 557 A 30 LYS HA A 30 LYS HD2 1.0 . 3.96 564 558 A 30 LYS HA A 30 LYS HD3 1.0 . 4.50 565 559 A 30 LYS HA A 30 LYS HG3 1.0 . 3.64 566 560 A 30 LYS H A 30 LYS HG3 1.0 . 4.85 567 561 A 30 LYS HA A 30 LYS HG2 1.0 . 3.61 568 562 A 30 LYS H A 30 LYS HG2 1.0 . 4.36 569 563 A 30 LYS HD2 A 30 LYS HB2 1.0 . 3.75 570 564 A 12 PRO HB3 A 30 LYS HG3 1.0 . 5.44 571 565 A 12 PRO HG3 A 30 LYS HG3 1.0 . 5.50 572 566 A 36 LEU HA A 36 LEU HD2% 1.0 . 4.65 573 567 A 36 LEU H A 36 LEU HB2 1.0 . 3.75 574 567 A 36 LEU H A 36 LEU HB3 1.0 . 3.75 575 568 A 36 LEU HA A 36 LEU HD1% 1.0 . 4.65 576 569 A 30 LYS HD2 A 30 LYS HB3 1.0 . 3.84 577 570 A 36 LEU H A 36 LEU HG 1.0 . 4.59 578 571 A 31 TRP HB3 A 31 TRP H 1.0 . 3.77 579 572 A 31 TRP HB2 A 31 TRP HE3 1.0 . 4.14 580 573 A 30 LYS HG3 A 29 HIS HA 1.0 . 5.50 581 574 A 29 HIS HD2 A 29 HIS HA 1.0 . 4.90 582 575 A 26 SER HB2 A 33 LYS HD3 1.0 . 4.60 583 576 A 3 CYS HB3 A 4 LEU HG 1.0 . 5.50 584 577 A 3 CYS HB2 A 4 LEU HG 1.0 . 5.50 585 578 A 23 LEU HD1% A 6 PHE HA 1.0 . 3.60 586 579 A 23 LEU HD1% A 33 LYS HA 1.0 . 5.50 587 580 A 23 LEU HD2% A 33 LYS HA 1.0 . 3.90 588 581 A 6 PHE HD% A 34 TYR HD% 1.0 . 4.43 589 582 A 6 PHE HD% A 6 PHE HZ 1.0 . 3.83 590 583 A 6 PHE HD% A 33 LYS HA 1.0 . 3.85 591 584 A 6 PHE HD% A 6 PHE HA 1.0 . 3.53 592 585 A 23 LEU HD1% A 6 PHE HD% 1.0 . 4.42 593 586 A 23 LEU HD2% A 6 PHE HD% 1.0 . 3.27 594 587 A 33 LYS HA A 6 PHE HE% 1.0 . 4.34 595 588 A 29 HIS HB2 A 29 HIS HD2 1.0 . 3.60 596 589 A 29 HIS HE1 A 28 LYS HE2 1.0 . 4.97 597 589 A 28 LYS HE3 A 29 HIS HE1 1.0 . 4.97 598 590 A 31 TRP HA A 31 TRP HD1 1.0 . 4.27 599 591 A 31 TRP HD1 A 29 HIS HA 1.0 . 4.83 600 592 A 26 SER HB2 A 31 TRP HD1 1.0 . 4.17 601 593 A 31 TRP HD1 A 30 LYS HA 1.0 . 5.11 602 594 A 26 SER HB3 A 31 TRP HD1 1.0 . 4.30 603 595 A 31 TRP HB2 A 31 TRP HD1 1.0 . 3.87 604 596 A 31 TRP HB3 A 31 TRP HD1 1.0 . 3.62 605 597 A 33 LYS HB3 A 31 TRP HD1 1.0 . 3.89 606 598 A 29 HIS HB2 A 31 TRP HD1 1.0 . 3.76 607 599 A 33 LYS HG2 A 31 TRP HD1 1.0 . 3.46 608 600 A 29 HIS HB2 A 31 TRP HZ2 1.0 . 5.24 609 601 A 34 TYR HD% A 34 TYR HA 1.0 . 3.05 610 602 A 33 LYS HA A 34 TYR HD% 1.0 . 5.05 611 603 A 23 LEU HG A 34 TYR HD% 1.0 . 4.20 612 604 A 23 LEU HD1% A 34 TYR HD% 1.0 . 5.29 613 605 A 23 LEU HD2% A 34 TYR HD% 1.0 . 3.36 614 606 A 34 TYR HA A 34 TYR HE% 1.0 . 4.31 615 607 A 34 TYR HE% A 6 PHE HBy 1.0 . 4.52 616 608 A 34 TYR HE% A 6 PHE HBx 1.0 . 4.52 617 609 A 23 LEU HG A 34 TYR HE% 1.0 . 4.07 618 610 A 23 LEU HD1% A 34 TYR HE% 1.0 . 4.22 619 611 A 23 LEU HD2% A 34 TYR HE% 1.0 . 3.55 620 612 A 26 SER HB3 A 29 HIS HD2 1.0 . 4.81 621 613 A 4 LEU HA A 5 GLY HAx 1.0 . 4.31 622 613 A 4 LEU HA A 5 GLY HAy 1.0 . 4.31 623 614 A 4 LEU HD2% A 8 LYS HDx 1.0 . 4.45 624 614 A 4 LEU HD2% A 8 LYS HDy 1.0 . 4.45 625 615 A 4 LEU HD2% A 8 LYS HEy 1.0 . 5.29 626 615 A 4 LEU HD2% A 8 LYS HEx 1.0 . 5.29 627 616 A 5 GLY H A 5 GLY HAx 1.0 . 2.55 628 616 A 5 GLY H A 5 GLY HAy 1.0 . 2.55 629 617 A 5 GLY H A 8 LYS HDx 1.0 . 4.04 630 617 A 5 GLY H A 8 LYS HDy 1.0 . 4.04 631 618 A 6 PHE HA A 5 GLY HAx 1.0 . 4.78 632 618 A 6 PHE HA A 5 GLY HAy 1.0 . 4.78 633 619 A 5 GLY HAy A 6 PHE HBx 1.0 . 4.74 634 619 A 5 GLY HAx A 6 PHE HBx 1.0 . 4.74 635 619 A 6 PHE HBy A 5 GLY HAx 1.0 . 4.74 636 619 A 5 GLY HAy A 6 PHE HBy 1.0 . 4.74 637 620 A 8 LYS HG3 A 5 GLY HAx 1.0 . 4.62 638 620 A 8 LYS HG3 A 5 GLY HAy 1.0 . 4.62 639 621 A 5 GLY HAx A 8 LYS HEy 1.0 . 5.18 640 621 A 5 GLY HAy A 8 LYS HEy 1.0 . 5.18 641 621 A 8 LYS HEx A 5 GLY HAx 1.0 . 5.18 642 621 A 5 GLY HAy A 8 LYS HEx 1.0 . 5.18 643 622 A 18 CYS H A 5 GLY HAx 1.0 . 4.88 644 622 A 18 CYS H A 5 GLY HAy 1.0 . 4.88 645 623 A 18 CYS HB2 A 5 GLY HAx 1.0 . 4.23 646 623 A 18 CYS HB2 A 5 GLY HAy 1.0 . 4.23 647 624 A 23 LEU HD1% A 5 GLY HAx 1.0 . 3.00 648 624 A 23 LEU HD1% A 5 GLY HAy 1.0 . 3.00 649 625 A 23 LEU HD2% A 5 GLY HAx 1.0 . 5.16 650 625 A 23 LEU HD2% A 5 GLY HAy 1.0 . 5.16 651 626 A 7 GLY H A 6 PHE HBx 1.0 . 4.12 652 626 A 7 GLY H A 6 PHE HBy 1.0 . 4.12 653 627 A 23 LEU HD1% A 6 PHE HBx 1.0 . 3.72 654 627 A 23 LEU HD1% A 6 PHE HBy 1.0 . 3.72 655 628 A 23 LEU HD2% A 6 PHE HBx 1.0 . 3.44 656 628 A 23 LEU HD2% A 6 PHE HBy 1.0 . 3.44 657 629 A 34 TYR HE% A 6 PHE HBx 1.0 . 3.67 658 629 A 34 TYR HE% A 6 PHE HBy 1.0 . 3.67 659 630 A 8 LYS H A 8 LYS HDx 1.0 . 4.62 660 630 A 8 LYS H A 8 LYS HDy 1.0 . 4.62 661 631 A 8 LYS H A 8 LYS HEy 1.0 . 5.15 662 631 A 8 LYS H A 8 LYS HEx 1.0 . 5.15 663 632 A 8 LYS HA A 8 LYS HDx 1.0 . 3.09 664 632 A 8 LYS HA A 8 LYS HDy 1.0 . 3.09 665 633 A 8 LYS HA A 8 LYS HEy 1.0 . 5.34 666 633 A 8 LYS HA A 8 LYS HEx 1.0 . 5.34 667 634 A 8 LYS HB2 A 8 LYS HEy 1.0 . 5.34 668 634 A 8 LYS HB2 A 8 LYS HEx 1.0 . 5.34 669 635 A 8 LYS HB3 A 8 LYS HEy 1.0 . 5.34 670 635 A 8 LYS HB3 A 8 LYS HEx 1.0 . 5.34 671 636 A 8 LYS HG2 A 8 LYS HEy 1.0 . 3.36 672 636 A 8 LYS HG2 A 8 LYS HEx 1.0 . 3.36 673 637 A 9 SER H A 8 LYS HDx 1.0 . 3.70 674 637 A 9 SER H A 8 LYS HDy 1.0 . 3.70 675 638 A 9 SER H A 8 LYS HEy 1.0 . 5.34 676 638 A 9 SER H A 8 LYS HEx 1.0 . 5.34 677 639 A 9 SER H A 9 SER HBx 1.0 . 2.93 678 639 A 9 SER H A 9 SER HBy 1.0 . 2.93 679 640 A 10 CYS H A 9 SER HBx 1.0 . 3.68 680 640 A 10 CYS H A 9 SER HBy 1.0 . 3.68 681 641 A 10 CYS HA A 9 SER HBx 1.0 . 4.50 682 641 A 10 CYS HA A 9 SER HBy 1.0 . 4.50 683 642 A 31 TRP HA A 9 SER HBx 1.0 . 5.34 684 642 A 31 TRP HA A 9 SER HBy 1.0 . 5.34 685 643 A 12 PRO HA A 15 ASP HBy 1.0 . 3.91 686 643 A 12 PRO HA A 15 ASP HBx 1.0 . 3.91 687 644 A 14 ASN H A 15 ASP HBy 1.0 . 4.97 688 644 A 14 ASN H A 15 ASP HBx 1.0 . 4.97 689 645 A 14 ASN HB2 A 14 ASN HD2y 1.0 . 3.43 690 645 A 14 ASN HB2 A 14 ASN HD2x 1.0 . 3.43 691 646 A 14 ASN HB3 A 14 ASN HD2y 1.0 . 3.42 692 646 A 14 ASN HB3 A 14 ASN HD2x 1.0 . 3.42 693 647 A 15 ASP H A 15 ASP HBy 1.0 . 2.70 694 647 A 15 ASP H A 15 ASP HBx 1.0 . 2.70 695 648 A 16 GLN HG2 A 16 GLN HE2x 1.0 . 3.56 696 648 A 16 GLN HG2 A 16 GLN HE2y 1.0 . 3.56 697 649 A 18 CYS H A 19 LYS HGx 1.0 . 5.34 698 649 A 18 CYS H A 19 LYS HGy 1.0 . 5.34 699 650 A 18 CYS H A 21 SER HBx 1.0 . 4.89 700 650 A 18 CYS H A 21 SER HBy 1.0 . 4.89 701 651 A 18 CYS HB2 A 21 SER HBx 1.0 . 3.49 702 651 A 18 CYS HB2 A 21 SER HBy 1.0 . 3.49 703 652 A 18 CYS HB3 A 21 SER HBx 1.0 . 4.05 704 652 A 18 CYS HB3 A 21 SER HBy 1.0 . 4.05 705 653 A 19 LYS H A 19 LYS HGx 1.0 . 3.14 706 653 A 19 LYS H A 19 LYS HGy 1.0 . 3.14 707 654 A 19 LYS H A 19 LYS HDx 1.0 . 3.66 708 654 A 19 LYS H A 19 LYS HDy 1.0 . 3.66 709 655 A 19 LYS HA A 19 LYS HDx 1.0 . 3.46 710 655 A 19 LYS HA A 19 LYS HDy 1.0 . 3.46 711 656 A 19 LYS HB3 A 19 LYS HDx 1.0 . 3.42 712 656 A 19 LYS HB3 A 19 LYS HDy 1.0 . 3.42 713 657 A 19 LYS HDx A 19 LYS HGx 1.0 . 2.32 714 657 A 19 LYS HDy A 19 LYS HGx 1.0 . 2.32 715 657 A 19 LYS HGy A 19 LYS HDx 1.0 . 2.32 716 657 A 19 LYS HGy A 19 LYS HDy 1.0 . 2.32 717 658 A 20 SER H A 19 LYS HGx 1.0 . 5.23 718 658 A 20 SER H A 19 LYS HGy 1.0 . 5.23 719 659 A 20 SER H A 20 SER HBx 1.0 . 3.31 720 659 A 20 SER H A 20 SER HBy 1.0 . 3.31 721 660 A 21 SER H A 20 SER HBx 1.0 . 4.09 722 660 A 21 SER H A 20 SER HBy 1.0 . 4.09 723 661 A 21 SER H A 21 SER HBx 1.0 . 2.91 724 661 A 21 SER H A 21 SER HBy 1.0 . 2.91 725 662 A 21 SER HA A 22 SER HBx 1.0 . 4.54 726 662 A 21 SER HA A 22 SER HBy 1.0 . 4.54 727 663 A 22 SER H A 21 SER HBx 1.0 . 3.97 728 663 A 22 SER H A 21 SER HBy 1.0 . 3.97 729 664 A 23 LEU H A 21 SER HBx 1.0 . 4.59 730 664 A 23 LEU H A 21 SER HBy 1.0 . 4.59 731 665 A 23 LEU HB2 A 21 SER HBx 1.0 . 5.24 732 665 A 23 LEU HB2 A 21 SER HBy 1.0 . 5.24 733 666 A 23 LEU HG A 21 SER HBx 1.0 . 3.35 734 666 A 23 LEU HG A 21 SER HBy 1.0 . 3.35 735 667 A 23 LEU HD1% A 21 SER HBx 1.0 . 3.38 736 667 A 23 LEU HD1% A 21 SER HBy 1.0 . 3.38 737 668 A 23 LEU HD2% A 21 SER HBx 1.0 . 4.09 738 668 A 23 LEU HD2% A 21 SER HBy 1.0 . 4.09 739 669 A 34 TYR HE% A 21 SER HBx 1.0 . 3.61 740 669 A 34 TYR HE% A 21 SER HBy 1.0 . 3.61 741 670 A 22 SER H A 22 SER HBx 1.0 . 3.35 742 670 A 22 SER H A 22 SER HBy 1.0 . 3.35 743 671 A 23 LEU H A 22 SER HBx 1.0 . 4.44 744 671 A 23 LEU H A 22 SER HBy 1.0 . 4.44 745 672 A 34 TYR HD% A 22 SER HBx 1.0 . 3.98 746 672 A 34 TYR HD% A 22 SER HBy 1.0 . 3.98 747 673 A 34 TYR HE% A 22 SER HBx 1.0 . 4.64 748 673 A 34 TYR HE% A 22 SER HBy 1.0 . 4.64 749 674 A 35 GLU H A 22 SER HBx 1.0 . 3.83 750 674 A 35 GLU H A 22 SER HBy 1.0 . 3.83 751 675 A 24 ALA H A 35 GLU HG2 1.0 . 4.05 752 675 A 24 ALA H A 35 GLU HG3 1.0 . 4.05 753 676 A 24 ALA HB% A 35 GLU HBx 1.0 . 3.78 754 676 A 24 ALA HB% A 35 GLU HBy 1.0 . 3.78 755 677 A 24 ALA HB% A 35 GLU HG2 1.0 . 3.61 756 677 A 24 ALA HB% A 35 GLU HG3 1.0 . 3.61 757 678 A 26 SER HB3 A 28 LYS HBx 1.0 . 4.57 758 678 A 26 SER HB3 A 28 LYS HBy 1.0 . 4.57 759 679 A 28 LYS H A 28 LYS HBx 1.0 . 2.93 760 679 A 28 LYS H A 28 LYS HBy 1.0 . 2.93 761 680 A 28 LYS H A 28 LYS HGx 1.0 . 4.02 762 680 A 28 LYS H A 28 LYS HGy 1.0 . 4.02 763 681 A 28 LYS HA A 28 LYS HGx 1.0 . 3.55 764 681 A 28 LYS HA A 28 LYS HGy 1.0 . 3.55 765 682 A 28 LYS HA A 28 LYS HDx 1.0 . 4.09 766 682 A 28 LYS HA A 28 LYS HDy 1.0 . 4.09 767 683 A 29 HIS H A 28 LYS HBx 1.0 . 3.49 768 683 A 29 HIS H A 28 LYS HBy 1.0 . 3.49 769 684 A 29 HIS HA A 28 LYS HBx 1.0 . 5.34 770 684 A 29 HIS HA A 28 LYS HBy 1.0 . 5.34 771 685 A 29 HIS HB2 A 28 LYS HBx 1.0 . 5.18 772 685 A 29 HIS HB2 A 28 LYS HBy 1.0 . 5.18 773 686 A 29 HIS HD2 A 28 LYS HBx 1.0 . 4.43 774 686 A 29 HIS HD2 A 28 LYS HBy 1.0 . 4.43 775 687 A 29 HIS HE1 A 28 LYS HBx 1.0 . 4.66 776 687 A 29 HIS HE1 A 28 LYS HBy 1.0 . 4.66 777 688 A 30 LYS H A 28 LYS HBx 1.0 . 5.31 778 688 A 30 LYS H A 28 LYS HBy 1.0 . 5.31 779 689 A 29 HIS HE1 A 28 LYS HGx 1.0 . 5.34 780 689 A 29 HIS HE1 A 28 LYS HGy 1.0 . 5.34 781 690 A 31 TRP HD1 A 33 LYS HEx 1.0 . 4.00 782 690 A 31 TRP HD1 A 33 LYS HEy 1.0 . 4.00 783 691 A 31 TRP HE1 A 33 LYS HEx 1.0 . 4.70 784 691 A 31 TRP HE1 A 33 LYS HEy 1.0 . 4.70 785 692 A 33 LYS HB2 A 33 LYS HEx 1.0 . 4.06 786 692 A 33 LYS HB2 A 33 LYS HEy 1.0 . 4.06 787 693 A 33 LYS HB3 A 33 LYS HEx 1.0 . 4.00 788 693 A 33 LYS HB3 A 33 LYS HEy 1.0 . 4.00 789 694 A 33 LYS HG2 A 33 LYS HEx 1.0 . 3.41 790 694 A 33 LYS HG2 A 33 LYS HEy 1.0 . 3.41 791 695 A 34 TYR HD% A 36 LEU HD2% 1.0 . 5.44 792 695 A 34 TYR HD% A 36 LEU HD1% 1.0 . 5.44 793 696 A 35 GLU H A 35 GLU HBx 1.0 . 2.91 794 696 A 35 GLU H A 35 GLU HBy 1.0 . 2.91 795 697 A 35 GLU H A 35 GLU HG2 1.0 . 3.50 796 697 A 35 GLU H A 35 GLU HG3 1.0 . 3.50 797 698 A 35 GLU HA A 35 GLU HG2 1.0 . 3.61 798 698 A 35 GLU HA A 35 GLU HG3 1.0 . 3.61 799 699 A 36 LEU H A 35 GLU HBx 1.0 . 3.79 800 699 A 36 LEU H A 35 GLU HBy 1.0 . 3.79 801 700 A 36 LEU H A 35 GLU HG2 1.0 . 4.14 802 700 A 36 LEU H A 35 GLU HG3 1.0 . 4.14 803 701 A 36 LEU H A 36 LEU HD2% 1.0 . 4.79 804 701 A 36 LEU H A 36 LEU HD1% 1.0 . 4.79 805 702 A 36 LEU HA A 36 LEU HD2% 1.0 . 3.81 806 702 A 36 LEU HA A 36 LEU HD1% 1.0 . 3.81 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 GLY C A 2 ALA N A 2 ALA CA A 2 ALA C 1.0 -151.0 -55.0 PHI 2 2 A 2 ALA N A 2 ALA CA A 2 ALA C A 3 CYS N 1.0 54.0 190.0 PSI 3 3 A 2 ALA C A 3 CYS N A 3 CYS CA A 3 CYS C 1.0 -169.0 -81.0 PHI 4 4 A 3 CYS N A 3 CYS CA A 3 CYS C A 4 LEU N 1.0 80.0 196.0 PSI 5 5 A 3 CYS C A 4 LEU N A 4 LEU CA A 4 LEU C 1.0 -170.0 -102.0 PHI 6 6 A 4 LEU N A 4 LEU CA A 4 LEU C A 5 GLY N 1.0 116.0 176.0 PSI 7 7 A 5 GLY C A 6 PHE N A 6 PHE CA A 6 PHE C 1.0 -68.0 -48.0 PHI 8 8 A 6 PHE N A 6 PHE CA A 6 PHE C A 7 GLY N 1.0 119.0 143.0 PSI 9 9 A 6 PHE C A 7 GLY N A 7 GLY CA A 7 GLY C 1.0 61.0 117.0 PHI 10 10 A 7 GLY N A 7 GLY CA A 7 GLY C A 8 LYS N 1.0 -31.0 17.0 PSI 11 11 A 7 GLY C A 8 LYS N A 8 LYS CA A 8 LYS C 1.0 -160.0 -56.0 PHI 12 12 A 8 LYS N A 8 LYS CA A 8 LYS C A 9 SER N 1.0 88.0 188.0 PSI 13 13 A 8 LYS C A 9 SER N A 9 SER CA A 9 SER C 1.0 -149.0 -65.0 PHI 14 14 A 9 SER N A 9 SER CA A 9 SER C A 10 CYS N 1.0 90.0 190.0 PSI 15 15 A 9 SER C A 10 CYS N A 10 CYS CA A 10 CYS C 1.0 -160.0 -116.0 PHI 16 16 A 10 CYS N A 10 CYS CA A 10 CYS C A 11 ASN N 1.0 136.0 176.0 PSI 17 17 A 10 CYS C A 11 ASN N A 11 ASN CA A 11 ASN C 1.0 -151.0 -71.0 PHI 18 18 A 11 ASN N A 11 ASN CA A 11 ASN C A 12 PRO N 1.0 77.0 173.0 PSI 19 19 A 12 PRO N A 12 PRO CA A 12 PRO C A 13 SER N 1.0 -41.0 -1.0 PSI 20 20 A 12 PRO C A 13 SER N A 13 SER CA A 13 SER C 1.0 -106.0 -62.0 PHI 21 21 A 13 SER N A 13 SER CA A 13 SER C A 14 ASN N 1.0 -39.0 17.0 PSI 22 22 A 14 ASN C A 15 ASP N A 15 ASP CA A 15 ASP C 1.0 -119.0 -51.0 PHI 23 23 A 15 ASP N A 15 ASP CA A 15 ASP C A 16 GLN N 1.0 115.0 147.0 PSI 24 24 A 15 ASP C A 16 GLN N A 16 GLN CA A 16 GLN C 1.0 -155.0 -67.0 PHI 25 25 A 16 GLN N A 16 GLN CA A 16 GLN C A 17 CYS N 1.0 78.0 158.0 PSI 26 26 A 17 CYS C A 18 CYS N A 18 CYS CA A 18 CYS C 1.0 -148.0 -52.0 PHI 27 27 A 18 CYS N A 18 CYS CA A 18 CYS C A 19 LYS N 1.0 79.0 143.0 PSI 28 28 A 18 CYS C A 19 LYS N A 19 LYS CA A 19 LYS C 1.0 -77.0 -41.0 PHI 29 29 A 19 LYS N A 19 LYS CA A 19 LYS C A 20 SER N 1.0 -53.0 3.0 PSI 30 30 A 19 LYS C A 20 SER N A 20 SER CA A 20 SER C 1.0 -111.0 -51.0 PHI 31 31 A 20 SER N A 20 SER CA A 20 SER C A 21 SER N 1.0 -49.0 19.0 PSI 32 32 A 20 SER C A 21 SER N A 21 SER CA A 21 SER C 1.0 -128.0 -76.0 PHI 33 33 A 21 SER N A 21 SER CA A 21 SER C A 22 SER N 1.0 -1.0 35.0 PSI 34 34 A 21 SER C A 22 SER N A 22 SER CA A 22 SER C 1.0 50.0 66.0 PHI 35 35 A 22 SER N A 22 SER CA A 22 SER C A 23 LEU N 1.0 20.0 64.0 PSI 36 36 A 22 SER C A 23 LEU N A 23 LEU CA A 23 LEU C 1.0 -180.0 -76.0 PHI 37 37 A 23 LEU N A 23 LEU CA A 23 LEU C A 24 ALA N 1.0 125.0 189.0 PSI 38 38 A 23 LEU C A 24 ALA N A 24 ALA CA A 24 ALA C 1.0 -164.0 -100.0 PHI 39 39 A 24 ALA N A 24 ALA CA A 24 ALA C A 25 CYS N 1.0 115.0 151.0 PSI 40 40 A 24 ALA C A 25 CYS N A 25 CYS CA A 25 CYS C 1.0 -121.0 -73.0 PHI 41 41 A 25 CYS N A 25 CYS CA A 25 CYS C A 26 SER N 1.0 74.0 134.0 PSI 42 42 A 25 CYS C A 26 SER N A 26 SER CA A 26 SER C 1.0 -160.0 -28.0 PHI 43 43 A 26 SER N A 26 SER CA A 26 SER C A 27 THR N 1.0 77.0 173.0 PSI 44 44 A 26 SER C A 27 THR N A 27 THR CA A 27 THR C 1.0 -75.0 -47.0 PHI 45 45 A 27 THR N A 27 THR CA A 27 THR C A 28 LYS N 1.0 -57.0 3.0 PSI 46 46 A 27 THR C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 -92.0 -44.0 PHI 47 47 A 28 LYS N A 28 LYS CA A 28 LYS C A 29 HIS N 1.0 -49.0 -1.0 PSI 48 48 A 28 LYS C A 29 HIS N A 29 HIS CA A 29 HIS C 1.0 -119.0 -75.0 PHI 49 49 A 29 HIS N A 29 HIS CA A 29 HIS C A 30 LYS N 1.0 -24.0 32.0 PSI 50 50 A 29 HIS C A 30 LYS N A 30 LYS CA A 30 LYS C 1.0 34.0 74.0 PHI 51 51 A 30 LYS N A 30 LYS CA A 30 LYS C A 31 TRP N 1.0 22.0 62.0 PSI 52 52 A 32 CYS C A 33 LYS N A 33 LYS CA A 33 LYS C 1.0 -180.0 -88.0 PHI 53 53 A 33 LYS N A 33 LYS CA A 33 LYS C A 34 TYR N 1.0 133.0 189.0 PSI 54 54 A 33 LYS C A 34 TYR N A 34 TYR CA A 34 TYR C 1.0 -139.0 -59.0 PHI 55 55 A 34 TYR N A 34 TYR CA A 34 TYR C A 35 GLU N 1.0 102.0 166.0 PSI 56 56 A 34 TYR C A 35 GLU N A 35 GLU CA A 35 GLU C 1.0 -172.0 -76.0 PHI 57 57 A 35 GLU N A 35 GLU CA A 35 GLU C A 36 LEU N 1.0 105.0 157.0 PSI stop_ save_