data_nef_c25778_2n6r 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 2N6R 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 21 CYS SG 1 35 CYS SG 1 28 CYS SG 1 47 CYS SG 1 34 CYS SG 1 62 CYS SG 1 65 CYS SG 1 72 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 THR middle . . 3 A 3 PRO middle . false 4 A 4 SER middle . . 5 A 5 ALA middle . . 6 A 6 ASP middle . . 7 A 7 GLN middle . . 8 A 8 VAL middle . . 9 A 9 ARG middle . . 10 A 10 TYR middle . . 11 A 11 ASN middle . . 12 A 12 TYR middle . . 13 A 13 THR middle . . 14 A 14 GLU middle . . 15 A 15 LEU middle . . 16 A 16 PRO middle . false 17 A 17 ASN middle . . 18 A 18 GLY middle . false 19 A 19 GLU middle . . 20 A 20 TYR middle . . 21 A 21 CYS middle -HG . 22 A 22 TYR middle . . 23 A 23 THR middle . . 24 A 24 PRO middle . false 25 A 25 ARG middle . . 26 A 26 ARG middle . . 27 A 27 ARG middle . . 28 A 28 CYS middle -HG . 29 A 29 THR middle . . 30 A 30 SER middle . . 31 A 31 ALA middle . . 32 A 32 ASP middle . . 33 A 33 GLN middle . . 34 A 34 CYS middle -HG . 35 A 35 CYS middle -HG . 36 A 36 ARG middle . . 37 A 37 PRO middle . false 38 A 38 TYR middle . . 39 A 39 ASP middle . . 40 A 40 THR middle . . 41 A 41 THR middle . . 42 A 42 ALA middle . . 43 A 43 ALA middle . . 44 A 44 PHE middle . . 45 A 45 HIS middle . . 46 A 46 GLY middle . false 47 A 47 CYS middle -HG . 48 A 48 GLY middle . false 49 A 49 ARG middle . . 50 A 50 ILE middle . . 51 A 51 TRP middle . . 52 A 52 PRO middle . false 53 A 53 LYS middle . . 54 A 54 ASP middle . . 55 A 55 LYS middle . . 56 A 56 ARG middle . . 57 A 57 GLU middle . . 58 A 58 LYS middle . . 59 A 59 VAL middle . . 60 A 60 ASP middle . . 61 A 61 ARG middle . . 62 A 62 CYS middle -HG . 63 A 63 TYR middle . . 64 A 64 ILE middle . . 65 A 65 CYS middle -HG . 66 A 66 ASN middle . . 67 A 67 ASN middle . . 68 A 68 GLU middle . . 69 A 69 LYS middle . . 70 A 70 THR middle . . 71 A 71 LEU middle . . 72 A 72 CYS middle -HG . 73 A 73 THR middle . . 74 A 74 SER middle . . 75 A 75 VAL middle . . 76 A 76 MET 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 HAx H 1 3.894 0.02 A 1 GLY HAy H 1 3.894 0.02 A 1 GLY C C 13 170.115 0.3 A 1 GLY CA C 13 43.281 0.3 A 2 THR H H 1 8.589 0.02 A 2 THR HA H 1 4.647 0.02 A 2 THR HB H 1 4.138 0.02 A 2 THR HG2% H 1 1.294 0.02 A 2 THR CA C 13 60.100 0.3 A 2 THR CB C 13 69.896 0.3 A 2 THR CG2 C 13 21.675 0.3 A 2 THR N N 15 117.088 0.2 A 3 PRO HA H 1 4.491 0.02 A 3 PRO HBy H 1 2.231 0.02 A 3 PRO HBx H 1 1.876 0.02 A 3 PRO HDy H 1 3.889 0.02 A 3 PRO HDx H 1 3.736 0.02 A 3 PRO HGy H 1 2.011 0.02 A 3 PRO HGx H 1 1.964 0.02 A 3 PRO C C 13 176.612 0.3 A 3 PRO CA C 13 63.242 0.3 A 3 PRO CB C 13 32.265 0.3 A 3 PRO CD C 13 51.058 0.3 A 3 PRO CG C 13 27.429 0.3 A 4 SER H H 1 8.221 0.02 A 4 SER HA H 1 4.462 0.02 A 4 SER HBy H 1 3.944 0.02 A 4 SER HBx H 1 3.819 0.02 A 4 SER C C 13 174.858 0.3 A 4 SER CA C 13 58.094 0.3 A 4 SER CB C 13 64.309 0.3 A 4 SER N N 15 115.809 0.2 A 5 ALA H H 1 8.586 0.02 A 5 ALA HA H 1 4.222 0.02 A 5 ALA HB% H 1 1.408 0.02 A 5 ALA C C 13 178.703 0.3 A 5 ALA CA C 13 53.717 0.3 A 5 ALA CB C 13 18.682 0.3 A 5 ALA N N 15 125.967 0.2 A 6 ASP H H 1 8.241 0.02 A 6 ASP HA H 1 4.389 0.02 A 6 ASP HBy H 1 2.634 0.02 A 6 ASP HBx H 1 2.600 0.02 A 6 ASP C C 13 177.831 0.3 A 6 ASP CA C 13 55.739 0.3 A 6 ASP CB C 13 40.830 0.3 A 6 ASP N N 15 118.445 0.2 A 7 GLN H H 1 8.210 0.02 A 7 GLN HA H 1 4.212 0.02 A 7 GLN HBy H 1 2.211 0.02 A 7 GLN HBx H 1 2.111 0.02 A 7 GLN HE2y H 1 7.594 0.02 A 7 GLN HE2x H 1 6.989 0.02 A 7 GLN HGy H 1 2.583 0.02 A 7 GLN HGx H 1 2.433 0.02 A 7 GLN C C 13 176.776 0.3 A 7 GLN CA C 13 58.131 0.3 A 7 GLN CB C 13 29.842 0.3 A 7 GLN CG C 13 34.858 0.3 A 7 GLN N N 15 117.860 0.2 A 7 GLN NE2 N 15 112.164 0.2 A 8 VAL H H 1 7.275 0.02 A 8 VAL HA H 1 4.378 0.02 A 8 VAL HB H 1 2.302 0.02 A 8 VAL HGx% H 1 0.815 0.02 A 8 VAL HGy% H 1 0.712 0.02 A 8 VAL C C 13 174.825 0.3 A 8 VAL CA C 13 59.994 0.3 A 8 VAL CB C 13 30.694 0.3 A 8 VAL CGx C 13 18.887 0.3 A 8 VAL CGy C 13 22.009 0.3 A 8 VAL N N 15 108.579 0.2 A 9 ARG H H 1 7.196 0.02 A 9 ARG HA H 1 4.185 0.02 A 9 ARG HBy H 1 1.753 0.02 A 9 ARG HBx H 1 1.705 0.02 A 9 ARG HDy H 1 2.953 0.02 A 9 ARG HDx H 1 2.866 0.02 A 9 ARG HE H 1 6.980 0.02 A 9 ARG HGx H 1 1.541 0.02 A 9 ARG HGy H 1 1.710 0.02 A 9 ARG C C 13 176.196 0.3 A 9 ARG CA C 13 57.023 0.3 A 9 ARG CB C 13 31.469 0.3 A 9 ARG CD C 13 43.647 0.3 A 9 ARG CG C 13 27.174 0.3 A 9 ARG N N 15 121.186 0.2 A 9 ARG NE N 15 83.558 0.2 A 10 TYR H H 1 7.599 0.02 A 10 TYR HA H 1 5.083 0.02 A 10 TYR HBy H 1 2.672 0.02 A 10 TYR HBx H 1 2.562 0.02 A 10 TYR HDx H 1 6.887 0.02 A 10 TYR HDy H 1 6.887 0.02 A 10 TYR HEx H 1 6.772 0.02 A 10 TYR HEy H 1 6.772 0.02 A 10 TYR C C 13 173.055 0.3 A 10 TYR CA C 13 54.637 0.3 A 10 TYR CB C 13 41.175 0.3 A 10 TYR CD1 C 13 133.816 0.3 A 10 TYR CD2 C 13 133.816 0.3 A 10 TYR CE1 C 13 118.474 0.3 A 10 TYR CE2 C 13 118.474 0.3 A 10 TYR N N 15 119.087 0.2 A 11 ASN H H 1 8.605 0.02 A 11 ASN HA H 1 4.760 0.02 A 11 ASN HBy H 1 2.710 0.02 A 11 ASN HBx H 1 2.053 0.02 A 11 ASN HD2y H 1 7.368 0.02 A 11 ASN HD2x H 1 6.885 0.02 A 11 ASN C C 13 174.212 0.3 A 11 ASN CB C 13 39.171 0.3 A 11 ASN N N 15 118.812 0.2 A 11 ASN ND2 N 15 110.448 0.2 A 12 TYR H H 1 9.064 0.02 A 12 TYR HA H 1 4.892 0.02 A 12 TYR HBy H 1 3.309 0.02 A 12 TYR HBx H 1 2.945 0.02 A 12 TYR HDx H 1 7.224 0.02 A 12 TYR HDy H 1 7.224 0.02 A 12 TYR HEx H 1 6.642 0.02 A 12 TYR HEy H 1 6.642 0.02 A 12 TYR C C 13 173.280 0.3 A 12 TYR CA C 13 57.951 0.3 A 12 TYR CB C 13 38.465 0.3 A 12 TYR CD1 C 13 132.753 0.3 A 12 TYR CD2 C 13 132.753 0.3 A 12 TYR CE1 C 13 118.668 0.3 A 12 TYR CE2 C 13 118.668 0.3 A 12 TYR N N 15 130.156 0.2 A 13 THR H H 1 7.546 0.02 A 13 THR HA H 1 4.554 0.02 A 13 THR HB H 1 4.007 0.02 A 13 THR HG2% H 1 0.978 0.02 A 13 THR C C 13 172.136 0.3 A 13 THR CA C 13 60.106 0.3 A 13 THR CB C 13 70.333 0.3 A 13 THR CG2 C 13 19.616 0.3 A 13 THR N N 15 122.015 0.2 A 14 GLU H H 1 8.347 0.02 A 14 GLU HA H 1 3.777 0.02 A 14 GLU HBy H 1 1.621 0.02 A 14 GLU HBx H 1 1.549 0.02 A 14 GLU HGy H 1 1.719 0.02 A 14 GLU HGx H 1 1.405 0.02 A 14 GLU C C 13 177.329 0.3 A 14 GLU CA C 13 57.385 0.3 A 14 GLU CB C 13 30.200 0.3 A 14 GLU CG C 13 35.646 0.3 A 14 GLU N N 15 122.711 0.2 A 15 LEU H H 1 9.075 0.02 A 15 LEU HA H 1 4.465 0.02 A 15 LEU HBy H 1 2.049 0.02 A 15 LEU HBx H 1 1.451 0.02 A 15 LEU HDx% H 1 0.849 0.02 A 15 LEU HDy% H 1 0.845 0.02 A 15 LEU HG H 1 1.452 0.02 A 15 LEU CA C 13 53.561 0.3 A 15 LEU CB C 13 40.371 0.3 A 15 LEU CDy C 13 25.323 0.3 A 15 LEU CDx C 13 25.318 0.3 A 15 LEU CG C 13 27.193 0.3 A 15 LEU N N 15 124.320 0.2 A 16 PRO HA H 1 4.256 0.02 A 16 PRO HBy H 1 2.363 0.02 A 16 PRO HBx H 1 1.846 0.02 A 16 PRO HDy H 1 3.770 0.02 A 16 PRO HDx H 1 3.709 0.02 A 16 PRO HGy H 1 2.074 0.02 A 16 PRO HGx H 1 1.958 0.02 A 16 PRO C C 13 176.513 0.3 A 16 PRO CA C 13 65.263 0.3 A 16 PRO CB C 13 31.678 0.3 A 16 PRO CD C 13 50.636 0.3 A 16 PRO CG C 13 27.765 0.3 A 17 ASN H H 1 7.424 0.02 A 17 ASN HA H 1 4.544 0.02 A 17 ASN HBy H 1 3.191 0.02 A 17 ASN HBx H 1 2.733 0.02 A 17 ASN HD2y H 1 7.269 0.02 A 17 ASN HD2x H 1 7.024 0.02 A 17 ASN C C 13 176.680 0.3 A 17 ASN CA C 13 52.734 0.3 A 17 ASN CB C 13 37.357 0.3 A 17 ASN N N 15 112.004 0.2 A 17 ASN ND2 N 15 108.841 0.2 A 18 GLY H H 1 8.209 0.02 A 18 GLY HAy H 1 4.240 0.02 A 18 GLY HAx H 1 3.578 0.02 A 18 GLY C C 13 174.170 0.3 A 18 GLY CA C 13 45.189 0.3 A 18 GLY N N 15 108.662 0.2 A 19 GLU H H 1 7.613 0.02 A 19 GLU HA H 1 4.478 0.02 A 19 GLU HBy H 1 2.160 0.02 A 19 GLU HBx H 1 2.138 0.02 A 19 GLU HGy H 1 2.325 0.02 A 19 GLU HGx H 1 2.273 0.02 A 19 GLU C C 13 176.133 0.3 A 19 GLU CA C 13 55.160 0.3 A 19 GLU CB C 13 31.300 0.3 A 19 GLU CG C 13 36.522 0.3 A 19 GLU N N 15 119.752 0.2 A 20 TYR H H 1 8.691 0.02 A 20 TYR HA H 1 4.203 0.02 A 20 TYR HBx H 1 2.815 0.02 A 20 TYR HBy H 1 2.815 0.02 A 20 TYR HDx H 1 6.467 0.02 A 20 TYR HDy H 1 6.467 0.02 A 20 TYR HEx H 1 6.616 0.02 A 20 TYR HEy H 1 6.616 0.02 A 20 TYR C C 13 176.660 0.3 A 20 TYR CA C 13 61.120 0.3 A 20 TYR CB C 13 39.115 0.3 A 20 TYR CD1 C 13 132.118 0.3 A 20 TYR CD2 C 13 132.118 0.3 A 20 TYR CE1 C 13 118.085 0.3 A 20 TYR CE2 C 13 118.085 0.3 A 20 TYR N N 15 120.277 0.2 A 21 CYS H H 1 8.051 0.02 A 21 CYS HA H 1 4.441 0.02 A 21 CYS HBy H 1 3.244 0.02 A 21 CYS HBx H 1 3.170 0.02 A 21 CYS C C 13 171.918 0.3 A 21 CYS CA C 13 55.104 0.3 A 21 CYS CB C 13 41.783 0.3 A 21 CYS N N 15 115.649 0.2 A 22 TYR H H 1 9.515 0.02 A 22 TYR HA H 1 4.916 0.02 A 22 TYR HBy H 1 3.457 0.02 A 22 TYR HBx H 1 2.866 0.02 A 22 TYR HDx H 1 7.165 0.02 A 22 TYR HDy H 1 7.165 0.02 A 22 TYR HEx H 1 6.848 0.02 A 22 TYR HEy H 1 6.848 0.02 A 22 TYR C C 13 174.482 0.3 A 22 TYR CA C 13 55.333 0.3 A 22 TYR CB C 13 37.509 0.3 A 22 TYR CD1 C 13 131.331 0.3 A 22 TYR CD2 C 13 131.331 0.3 A 22 TYR CE1 C 13 118.548 0.3 A 22 TYR CE2 C 13 118.548 0.3 A 22 TYR N N 15 120.251 0.2 A 23 THR H H 1 8.049 0.02 A 23 THR HA H 1 3.577 0.02 A 23 THR HB H 1 4.155 0.02 A 23 THR HG2% H 1 1.281 0.02 A 23 THR CA C 13 60.603 0.3 A 23 THR CB C 13 66.902 0.3 A 23 THR CG2 C 13 23.295 0.3 A 23 THR N N 15 117.046 0.2 A 24 PRO HA H 1 3.813 0.02 A 24 PRO HBy H 1 2.352 0.02 A 24 PRO HBx H 1 1.858 0.02 A 24 PRO HDy H 1 2.863 0.02 A 24 PRO HDx H 1 2.600 0.02 A 24 PRO HGx H 1 1.833 0.02 A 24 PRO HGy H 1 2.130 0.02 A 24 PRO C C 13 176.768 0.3 A 24 PRO CA C 13 65.026 0.3 A 24 PRO CB C 13 31.597 0.3 A 24 PRO CD C 13 50.410 0.3 A 24 PRO CG C 13 28.442 0.3 A 25 ARG H H 1 9.026 0.02 A 25 ARG HA H 1 3.738 0.02 A 25 ARG HBy H 1 2.660 0.02 A 25 ARG HBx H 1 2.138 0.02 A 25 ARG HDy H 1 3.320 0.02 A 25 ARG HDx H 1 3.022 0.02 A 25 ARG HE H 1 7.190 0.02 A 25 ARG HGx H 1 1.641 0.02 A 25 ARG HGy H 1 1.641 0.02 A 25 ARG C C 13 175.661 0.3 A 25 ARG CA C 13 59.482 0.3 A 25 ARG CB C 13 27.713 0.3 A 25 ARG CD C 13 41.885 0.3 A 25 ARG CG C 13 26.909 0.3 A 25 ARG N N 15 112.632 0.2 A 25 ARG NE N 15 83.480 0.2 A 26 ARG H H 1 8.351 0.02 A 26 ARG HA H 1 4.271 0.02 A 26 ARG HBy H 1 1.915 0.02 A 26 ARG HBx H 1 1.839 0.02 A 26 ARG HDy H 1 3.129 0.02 A 26 ARG HDx H 1 2.774 0.02 A 26 ARG HE H 1 6.684 0.02 A 26 ARG HGy H 1 1.768 0.02 A 26 ARG HGx H 1 1.669 0.02 A 26 ARG C C 13 176.575 0.3 A 26 ARG CA C 13 56.864 0.3 A 26 ARG CB C 13 30.409 0.3 A 26 ARG CD C 13 43.643 0.3 A 26 ARG CG C 13 27.225 0.3 A 26 ARG N N 15 122.605 0.2 A 26 ARG NE N 15 83.788 0.2 A 27 ARG H H 1 8.488 0.02 A 27 ARG HA H 1 4.779 0.02 A 27 ARG HBy H 1 1.931 0.02 A 27 ARG HBx H 1 1.738 0.02 A 27 ARG HDx H 1 3.229 0.02 A 27 ARG HDy H 1 3.229 0.02 A 27 ARG HGy H 1 1.939 0.02 A 27 ARG HGx H 1 1.567 0.02 A 27 ARG C C 13 175.533 0.3 A 27 ARG CB C 13 30.596 0.3 A 27 ARG CD C 13 43.601 0.3 A 27 ARG CG C 13 28.119 0.3 A 27 ARG N N 15 123.927 0.2 A 28 CYS H H 1 8.165 0.02 A 28 CYS HA H 1 5.280 0.02 A 28 CYS HBx H 1 3.420 0.02 A 28 CYS HBy H 1 3.420 0.02 A 28 CYS C C 13 173.693 0.3 A 28 CYS CA C 13 53.207 0.3 A 28 CYS CB C 13 48.562 0.3 A 28 CYS N N 15 117.880 0.2 A 29 THR H H 1 9.863 0.02 A 29 THR HA H 1 4.510 0.02 A 29 THR HB H 1 4.323 0.02 A 29 THR HG2% H 1 1.244 0.02 A 29 THR C C 13 174.605 0.3 A 29 THR CA C 13 61.935 0.3 A 29 THR CB C 13 70.119 0.3 A 29 THR CG2 C 13 22.063 0.3 A 29 THR N N 15 111.260 0.2 A 30 SER H H 1 7.842 0.02 A 30 SER HA H 1 4.621 0.02 A 30 SER HBy H 1 4.007 0.02 A 30 SER HBx H 1 3.573 0.02 A 30 SER C C 13 174.756 0.3 A 30 SER CA C 13 56.770 0.3 A 30 SER CB C 13 65.163 0.3 A 30 SER N N 15 116.499 0.2 A 31 ALA H H 1 9.143 0.02 A 31 ALA HA H 1 3.803 0.02 A 31 ALA HB% H 1 1.303 0.02 A 31 ALA C C 13 178.519 0.3 A 31 ALA CA C 13 55.677 0.3 A 31 ALA CB C 13 17.686 0.3 A 31 ALA N N 15 126.961 0.2 A 32 ASP H H 1 8.090 0.02 A 32 ASP HA H 1 4.434 0.02 A 32 ASP HBy H 1 2.693 0.02 A 32 ASP HBx H 1 2.568 0.02 A 32 ASP C C 13 178.382 0.3 A 32 ASP CA C 13 56.149 0.3 A 32 ASP CB C 13 40.100 0.3 A 32 ASP N N 15 114.156 0.2 A 33 GLN H H 1 7.325 0.02 A 33 GLN HA H 1 3.863 0.02 A 33 GLN HBy H 1 1.997 0.02 A 33 GLN HBx H 1 0.848 0.02 A 33 GLN HE2y H 1 7.258 0.02 A 33 GLN HE2x H 1 6.708 0.02 A 33 GLN HGy H 1 2.024 0.02 A 33 GLN HGx H 1 1.942 0.02 A 33 GLN C C 13 176.437 0.3 A 33 GLN CA C 13 57.098 0.3 A 33 GLN CB C 13 29.902 0.3 A 33 GLN CG C 13 34.196 0.3 A 33 GLN N N 15 116.824 0.2 A 33 GLN NE2 N 15 111.972 0.2 A 34 CYS H H 1 7.392 0.02 A 34 CYS HA H 1 4.988 0.02 A 34 CYS HBy H 1 3.781 0.02 A 34 CYS HBx H 1 2.752 0.02 A 34 CYS C C 13 174.705 0.3 A 34 CYS CA C 13 54.699 0.3 A 34 CYS CB C 13 37.952 0.3 A 34 CYS N N 15 116.791 0.2 A 35 CYS H H 1 9.263 0.02 A 35 CYS HA H 1 4.500 0.02 A 35 CYS HBy H 1 3.473 0.02 A 35 CYS HBx H 1 2.232 0.02 A 35 CYS C C 13 172.770 0.3 A 35 CYS CA C 13 55.169 0.3 A 35 CYS CB C 13 40.170 0.3 A 35 CYS N N 15 120.838 0.2 A 36 ARG H H 1 9.008 0.02 A 36 ARG HA H 1 3.977 0.02 A 36 ARG HBy H 1 1.741 0.02 A 36 ARG HBx H 1 1.582 0.02 A 36 ARG HDx H 1 2.841 0.02 A 36 ARG HDy H 1 2.841 0.02 A 36 ARG HGy H 1 1.396 0.02 A 36 ARG HGx H 1 0.971 0.02 A 36 ARG CA C 13 53.859 0.3 A 36 ARG CB C 13 29.409 0.3 A 36 ARG CD C 13 42.858 0.3 A 36 ARG CG C 13 27.531 0.3 A 36 ARG N N 15 120.291 0.2 A 37 PRO HA H 1 4.620 0.02 A 37 PRO HBy H 1 2.188 0.02 A 37 PRO HBx H 1 1.698 0.02 A 37 PRO HDy H 1 3.777 0.02 A 37 PRO HDx H 1 3.609 0.02 A 37 PRO HGy H 1 1.970 0.02 A 37 PRO HGx H 1 1.690 0.02 A 37 PRO C C 13 175.468 0.3 A 37 PRO CA C 13 61.922 0.3 A 37 PRO CB C 13 32.245 0.3 A 37 PRO CD C 13 50.579 0.3 A 37 PRO CG C 13 27.180 0.3 A 38 TYR H H 1 8.008 0.02 A 38 TYR HA H 1 4.019 0.02 A 38 TYR HBy H 1 2.689 0.02 A 38 TYR HBx H 1 2.534 0.02 A 38 TYR HDx H 1 6.979 0.02 A 38 TYR HDy H 1 6.979 0.02 A 38 TYR HEx H 1 6.776 0.02 A 38 TYR HEy H 1 6.776 0.02 A 38 TYR C C 13 175.921 0.3 A 38 TYR CA C 13 60.973 0.3 A 38 TYR CB C 13 39.274 0.3 A 38 TYR CD1 C 13 132.778 0.3 A 38 TYR CD2 C 13 132.778 0.3 A 38 TYR CE1 C 13 118.537 0.3 A 38 TYR CE2 C 13 118.537 0.3 A 38 TYR N N 15 120.939 0.2 A 39 ASP H H 1 8.488 0.02 A 39 ASP HA H 1 4.886 0.02 A 39 ASP HBy H 1 3.072 0.02 A 39 ASP HBx H 1 2.422 0.02 A 39 ASP C C 13 176.845 0.3 A 39 ASP CA C 13 51.757 0.3 A 39 ASP CB C 13 40.339 0.3 A 39 ASP N N 15 116.741 0.2 A 40 THR H H 1 8.244 0.02 A 40 THR HA H 1 4.350 0.02 A 40 THR HB H 1 4.658 0.02 A 40 THR HG2% H 1 1.347 0.02 A 40 THR C C 13 176.048 0.3 A 40 THR CA C 13 63.336 0.3 A 40 THR CB C 13 68.620 0.3 A 40 THR CG2 C 13 22.262 0.3 A 40 THR N N 15 113.915 0.2 A 41 THR H H 1 8.547 0.02 A 41 THR HA H 1 4.506 0.02 A 41 THR HB H 1 4.351 0.02 A 41 THR HG2% H 1 1.275 0.02 A 41 THR C C 13 175.519 0.3 A 41 THR CA C 13 63.401 0.3 A 41 THR CB C 13 69.298 0.3 A 41 THR CG2 C 13 21.914 0.3 A 41 THR N N 15 113.431 0.2 A 42 ALA H H 1 7.218 0.02 A 42 ALA HA H 1 4.671 0.02 A 42 ALA HB% H 1 1.439 0.02 A 42 ALA C C 13 176.849 0.3 A 42 ALA CA C 13 51.909 0.3 A 42 ALA CB C 13 21.954 0.3 A 42 ALA N N 15 122.783 0.2 A 43 ALA H H 1 7.744 0.02 A 43 ALA HA H 1 4.883 0.02 A 43 ALA HB% H 1 1.328 0.02 A 43 ALA C C 13 173.998 0.3 A 43 ALA CA C 13 51.764 0.3 A 43 ALA CB C 13 23.357 0.3 A 43 ALA N N 15 123.174 0.2 A 44 PHE H H 1 9.001 0.02 A 44 PHE HA H 1 5.230 0.02 A 44 PHE HBy H 1 3.247 0.02 A 44 PHE HBx H 1 3.122 0.02 A 44 PHE HDx H 1 7.191 0.02 A 44 PHE HDy H 1 7.191 0.02 A 44 PHE HEx H 1 7.425 0.02 A 44 PHE HEy H 1 7.425 0.02 A 44 PHE HZ H 1 7.178 0.02 A 44 PHE C C 13 171.217 0.3 A 44 PHE CA C 13 56.190 0.3 A 44 PHE CB C 13 42.248 0.3 A 44 PHE CD1 C 13 133.084 0.3 A 44 PHE CD2 C 13 133.084 0.3 A 44 PHE CE1 C 13 131.488 0.3 A 44 PHE CE2 C 13 131.488 0.3 A 44 PHE CZ C 13 128.514 0.3 A 44 PHE N N 15 114.138 0.2 A 45 HIS H H 1 8.221 0.02 A 45 HIS HA H 1 5.535 0.02 A 45 HIS HBy H 1 2.968 0.02 A 45 HIS HBx H 1 2.906 0.02 A 45 HIS HD2 H 1 6.887 0.02 A 45 HIS HE1 H 1 7.705 0.02 A 45 HIS C C 13 173.904 0.3 A 45 HIS CA C 13 53.226 0.3 A 45 HIS CB C 13 35.631 0.3 A 45 HIS CD2 C 13 118.819 0.3 A 45 HIS CE1 C 13 139.536 0.3 A 45 HIS N N 15 117.879 0.2 A 46 GLY H H 1 7.605 0.02 A 46 GLY HAy H 1 3.644 0.02 A 46 GLY HAx H 1 3.086 0.02 A 46 GLY C C 13 168.387 0.3 A 46 GLY CA C 13 44.804 0.3 A 46 GLY N N 15 104.953 0.2 A 47 CYS H H 1 8.417 0.02 A 47 CYS HA H 1 5.086 0.02 A 47 CYS HBx H 1 2.699 0.02 A 47 CYS HBy H 1 2.699 0.02 A 47 CYS C C 13 174.451 0.3 A 47 CYS CA C 13 54.199 0.3 A 47 CYS CB C 13 42.627 0.3 A 47 CYS N N 15 117.423 0.2 A 48 GLY H H 1 9.179 0.02 A 48 GLY HAy H 1 4.623 0.02 A 48 GLY HAx H 1 4.324 0.02 A 48 GLY C C 13 173.222 0.3 A 48 GLY CA C 13 46.863 0.3 A 48 GLY N N 15 113.477 0.2 A 49 ARG H H 1 9.122 0.02 A 49 ARG HA H 1 4.885 0.02 A 49 ARG HBy H 1 1.822 0.02 A 49 ARG HBx H 1 1.346 0.02 A 49 ARG HDx H 1 3.003 0.02 A 49 ARG HDy H 1 3.003 0.02 A 49 ARG HGy H 1 1.724 0.02 A 49 ARG HGx H 1 1.601 0.02 A 49 ARG C C 13 174.582 0.3 A 49 ARG CA C 13 54.256 0.3 A 49 ARG CB C 13 30.440 0.3 A 49 ARG CD C 13 42.010 0.3 A 49 ARG CG C 13 25.479 0.3 A 49 ARG N N 15 124.846 0.2 A 50 ILE H H 1 7.717 0.02 A 50 ILE HA H 1 3.931 0.02 A 50 ILE HB H 1 1.096 0.02 A 50 ILE HD1% H 1 0.159 0.02 A 50 ILE HG1y H 1 0.317 0.02 A 50 ILE HG1x H 1 0.136 0.02 A 50 ILE HG2% H 1 -0.191 0.02 A 50 ILE C C 13 175.396 0.3 A 50 ILE CA C 13 62.264 0.3 A 50 ILE CB C 13 38.319 0.3 A 50 ILE CD1 C 13 14.364 0.3 A 50 ILE CG1 C 13 25.383 0.3 A 50 ILE CG2 C 13 16.583 0.3 A 50 ILE N N 15 115.179 0.2 A 51 TRP H H 1 7.593 0.02 A 51 TRP HA H 1 5.373 0.02 A 51 TRP HBy H 1 3.494 0.02 A 51 TRP HBx H 1 2.933 0.02 A 51 TRP HD1 H 1 7.232 0.02 A 51 TRP HE1 H 1 10.219 0.02 A 51 TRP HE3 H 1 7.756 0.02 A 51 TRP HH2 H 1 7.225 0.02 A 51 TRP HZ2 H 1 7.513 0.02 A 51 TRP HZ3 H 1 7.211 0.02 A 51 TRP CA C 13 53.819 0.3 A 51 TRP CB C 13 30.432 0.3 A 51 TRP CD1 C 13 128.113 0.3 A 51 TRP CE3 C 13 120.765 0.3 A 51 TRP CH2 C 13 124.386 0.3 A 51 TRP CZ2 C 13 115.278 0.3 A 51 TRP CZ3 C 13 122.066 0.3 A 51 TRP N N 15 120.956 0.2 A 51 TRP NE1 N 15 129.457 0.2 A 52 PRO HA H 1 4.187 0.02 A 52 PRO HBy H 1 2.471 0.02 A 52 PRO HBx H 1 2.134 0.02 A 52 PRO HDy H 1 4.309 0.02 A 52 PRO HDx H 1 4.271 0.02 A 52 PRO HGy H 1 2.374 0.02 A 52 PRO HGx H 1 2.179 0.02 A 52 PRO C C 13 178.771 0.3 A 52 PRO CA C 13 66.379 0.3 A 52 PRO CB C 13 32.088 0.3 A 52 PRO CD C 13 51.356 0.3 A 52 PRO CG C 13 27.817 0.3 A 53 LYS H H 1 8.716 0.02 A 53 LYS HA H 1 3.973 0.02 A 53 LYS HBx H 1 1.529 0.02 A 53 LYS HBy H 1 1.939 0.02 A 53 LYS HDy H 1 1.643 0.02 A 53 LYS HDx H 1 1.593 0.02 A 53 LYS HEy H 1 3.030 0.02 A 53 LYS HEx H 1 2.982 0.02 A 53 LYS HGy H 1 1.394 0.02 A 53 LYS HGx H 1 1.316 0.02 A 53 LYS C C 13 177.324 0.3 A 53 LYS CA C 13 59.885 0.3 A 53 LYS CB C 13 33.461 0.3 A 53 LYS CD C 13 29.797 0.3 A 53 LYS CE C 13 44.767 0.3 A 53 LYS CG C 13 24.665 0.3 A 53 LYS N N 15 117.078 0.2 A 54 ASP H H 1 7.118 0.02 A 54 ASP HA H 1 4.505 0.02 A 54 ASP HBx H 1 2.724 0.02 A 54 ASP HBy H 1 3.408 0.02 A 54 ASP C C 13 178.760 0.3 A 54 ASP CA C 13 56.871 0.3 A 54 ASP CB C 13 41.683 0.3 A 54 ASP N N 15 117.718 0.2 A 55 LYS H H 1 7.707 0.02 A 55 LYS HA H 1 3.979 0.02 A 55 LYS HBx H 1 1.908 0.02 A 55 LYS HBy H 1 1.908 0.02 A 55 LYS HDy H 1 1.670 0.02 A 55 LYS HDx H 1 1.511 0.02 A 55 LYS HEx H 1 2.848 0.02 A 55 LYS HEy H 1 2.848 0.02 A 55 LYS HGy H 1 1.420 0.02 A 55 LYS HGx H 1 1.331 0.02 A 55 LYS C C 13 179.406 0.3 A 55 LYS CA C 13 59.239 0.3 A 55 LYS CB C 13 32.767 0.3 A 55 LYS CD C 13 29.653 0.3 A 55 LYS CE C 13 42.386 0.3 A 55 LYS CG C 13 26.200 0.3 A 55 LYS N N 15 118.047 0.2 A 56 ARG H H 1 8.357 0.02 A 56 ARG HA H 1 4.118 0.02 A 56 ARG HBx H 1 1.924 0.02 A 56 ARG HBy H 1 1.924 0.02 A 56 ARG HDx H 1 3.240 0.02 A 56 ARG HDy H 1 3.240 0.02 A 56 ARG HGy H 1 1.734 0.02 A 56 ARG HGx H 1 1.638 0.02 A 56 ARG C C 13 178.202 0.3 A 56 ARG CA C 13 58.893 0.3 A 56 ARG CB C 13 30.577 0.3 A 56 ARG CD C 13 43.452 0.3 A 56 ARG CG C 13 27.502 0.3 A 56 ARG N N 15 119.454 0.2 A 57 GLU H H 1 8.115 0.02 A 57 GLU HA H 1 4.092 0.02 A 57 GLU HBx H 1 2.073 0.02 A 57 GLU HBy H 1 2.073 0.02 A 57 GLU HGy H 1 2.581 0.02 A 57 GLU HGx H 1 2.283 0.02 A 57 GLU CA C 13 57.218 0.3 A 57 GLU CB C 13 29.878 0.3 A 57 GLU CG C 13 37.207 0.3 A 57 GLU N N 15 116.713 0.2 A 58 LYS H H 1 7.752 0.02 A 58 LYS HA H 1 3.668 0.02 A 58 LYS HBy H 1 2.199 0.02 A 58 LYS HBx H 1 1.766 0.02 A 58 LYS HDx H 1 1.665 0.02 A 58 LYS HDy H 1 1.665 0.02 A 58 LYS HEx H 1 3.031 0.02 A 58 LYS HEy H 1 3.031 0.02 A 58 LYS HGy H 1 1.348 0.02 A 58 LYS HGx H 1 1.334 0.02 A 58 LYS C C 13 174.596 0.3 A 58 LYS CA C 13 57.062 0.3 A 58 LYS CB C 13 29.015 0.3 A 58 LYS CD C 13 29.510 0.3 A 58 LYS CE C 13 42.375 0.3 A 58 LYS CG C 13 24.809 0.3 A 58 LYS N N 15 115.386 0.2 A 59 VAL H H 1 7.468 0.02 A 59 VAL HA H 1 4.278 0.02 A 59 VAL HB H 1 1.922 0.02 A 59 VAL HGx% H 1 0.867 0.02 A 59 VAL HGy% H 1 0.853 0.02 A 59 VAL C C 13 173.825 0.3 A 59 VAL CA C 13 60.867 0.3 A 59 VAL CB C 13 35.120 0.3 A 59 VAL CGy C 13 21.480 0.3 A 59 VAL CGx C 13 20.809 0.3 A 59 VAL N N 15 117.088 0.2 A 60 ASP H H 1 7.998 0.02 A 60 ASP HA H 1 4.510 0.02 A 60 ASP HBy H 1 2.778 0.02 A 60 ASP HBx H 1 2.730 0.02 A 60 ASP C C 13 176.358 0.3 A 60 ASP CA C 13 54.875 0.3 A 60 ASP CB C 13 42.428 0.3 A 60 ASP N N 15 124.265 0.2 A 61 ARG H H 1 9.166 0.02 A 61 ARG HA H 1 5.348 0.02 A 61 ARG HBx H 1 1.435 0.02 A 61 ARG HBy H 1 1.620 0.02 A 61 ARG HDy H 1 3.287 0.02 A 61 ARG HDx H 1 3.235 0.02 A 61 ARG HGx H 1 1.338 0.02 A 61 ARG HGy H 1 1.557 0.02 A 61 ARG C C 13 177.503 0.3 A 61 ARG CA C 13 55.161 0.3 A 61 ARG CB C 13 36.924 0.3 A 61 ARG CD C 13 43.441 0.3 A 61 ARG CG C 13 29.256 0.3 A 61 ARG N N 15 120.787 0.2 A 62 CYS H H 1 8.813 0.02 A 62 CYS HA H 1 5.537 0.02 A 62 CYS HBy H 1 3.401 0.02 A 62 CYS HBx H 1 2.878 0.02 A 62 CYS C C 13 177.442 0.3 A 62 CYS CA C 13 55.070 0.3 A 62 CYS CB C 13 38.199 0.3 A 62 CYS N N 15 120.884 0.2 A 63 TYR H H 1 9.065 0.02 A 63 TYR HA H 1 4.991 0.02 A 63 TYR HBy H 1 3.098 0.02 A 63 TYR HBx H 1 2.842 0.02 A 63 TYR HDx H 1 6.890 0.02 A 63 TYR HDy H 1 6.890 0.02 A 63 TYR HEx H 1 6.311 0.02 A 63 TYR HEy H 1 6.311 0.02 A 63 TYR C C 13 173.066 0.3 A 63 TYR CA C 13 56.849 0.3 A 63 TYR CB C 13 42.027 0.3 A 63 TYR CD1 C 13 134.657 0.3 A 63 TYR CD2 C 13 134.657 0.3 A 63 TYR CE1 C 13 116.870 0.3 A 63 TYR CE2 C 13 116.870 0.3 A 63 TYR N N 15 122.099 0.2 A 64 ILE H H 1 8.471 0.02 A 64 ILE HA H 1 4.835 0.02 A 64 ILE HB H 1 1.752 0.02 A 64 ILE HD1% H 1 0.675 0.02 A 64 ILE HG1x H 1 1.017 0.02 A 64 ILE HG1y H 1 1.591 0.02 A 64 ILE HG2% H 1 0.764 0.02 A 64 ILE C C 13 175.853 0.3 A 64 ILE CB C 13 41.912 0.3 A 64 ILE CD1 C 13 13.810 0.3 A 64 ILE CG1 C 13 28.636 0.3 A 64 ILE CG2 C 13 18.208 0.3 A 64 ILE N N 15 119.909 0.2 A 65 CYS H H 1 8.227 0.02 A 65 CYS HA H 1 5.627 0.02 A 65 CYS HBy H 1 3.163 0.02 A 65 CYS HBx H 1 2.394 0.02 A 65 CYS C C 13 173.189 0.3 A 65 CYS CA C 13 55.479 0.3 A 65 CYS CB C 13 49.868 0.3 A 65 CYS N N 15 121.445 0.2 A 66 ASN H H 1 8.851 0.02 A 66 ASN HA H 1 4.867 0.02 A 66 ASN HBy H 1 3.572 0.02 A 66 ASN HBx H 1 2.887 0.02 A 66 ASN HD2y H 1 7.906 0.02 A 66 ASN HD2x H 1 6.965 0.02 A 66 ASN C C 13 176.131 0.3 A 66 ASN CA C 13 52.671 0.3 A 66 ASN CB C 13 37.047 0.3 A 66 ASN N N 15 116.965 0.2 A 66 ASN ND2 N 15 110.308 0.2 A 67 ASN H H 1 8.034 0.02 A 67 ASN HA H 1 4.628 0.02 A 67 ASN HBy H 1 2.784 0.02 A 67 ASN HBx H 1 2.739 0.02 A 67 ASN HD2y H 1 7.618 0.02 A 67 ASN HD2x H 1 6.749 0.02 A 67 ASN C C 13 177.594 0.3 A 67 ASN CA C 13 56.696 0.3 A 67 ASN CB C 13 37.563 0.3 A 67 ASN N N 15 120.024 0.2 A 67 ASN ND2 N 15 110.825 0.2 A 68 GLU H H 1 9.147 0.02 A 68 GLU HA H 1 4.133 0.02 A 68 GLU HBy H 1 2.120 0.02 A 68 GLU HBx H 1 2.005 0.02 A 68 GLU HGy H 1 2.473 0.02 A 68 GLU HGx H 1 2.331 0.02 A 68 GLU C C 13 175.401 0.3 A 68 GLU CA C 13 57.911 0.3 A 68 GLU CB C 13 29.601 0.3 A 68 GLU CG C 13 37.317 0.3 A 68 GLU N N 15 116.745 0.2 A 69 LYS H H 1 8.460 0.02 A 69 LYS HA H 1 3.672 0.02 A 69 LYS HBy H 1 2.104 0.02 A 69 LYS HBx H 1 2.078 0.02 A 69 LYS HDy H 1 1.882 0.02 A 69 LYS HDx H 1 1.754 0.02 A 69 LYS HEx H 1 2.969 0.02 A 69 LYS HEy H 1 2.969 0.02 A 69 LYS HGy H 1 1.686 0.02 A 69 LYS HGx H 1 1.575 0.02 A 69 LYS C C 13 175.378 0.3 A 69 LYS CA C 13 58.499 0.3 A 69 LYS CB C 13 28.959 0.3 A 69 LYS CD C 13 29.805 0.3 A 69 LYS CE C 13 42.029 0.3 A 69 LYS CG C 13 25.615 0.3 A 69 LYS N N 15 116.160 0.2 A 70 THR H H 1 8.603 0.02 A 70 THR HA H 1 4.359 0.02 A 70 THR HB H 1 4.412 0.02 A 70 THR HG2% H 1 1.180 0.02 A 70 THR C C 13 175.227 0.3 A 70 THR CA C 13 61.566 0.3 A 70 THR CB C 13 70.002 0.3 A 70 THR CG2 C 13 22.659 0.3 A 70 THR N N 15 108.541 0.2 A 71 LEU H H 1 7.928 0.02 A 71 LEU HA H 1 4.709 0.02 A 71 LEU HBy H 1 1.562 0.02 A 71 LEU HBx H 1 1.379 0.02 A 71 LEU HDx% H 1 0.853 0.02 A 71 LEU HDy% H 1 0.974 0.02 A 71 LEU HG H 1 1.442 0.02 A 71 LEU C C 13 174.270 0.3 A 71 LEU CA C 13 55.425 0.3 A 71 LEU CB C 13 44.679 0.3 A 71 LEU CDy C 13 26.169 0.3 A 71 LEU CDx C 13 23.939 0.3 A 71 LEU CG C 13 27.435 0.3 A 71 LEU N N 15 125.002 0.2 A 72 CYS H H 1 8.595 0.02 A 72 CYS HA H 1 5.864 0.02 A 72 CYS HBy H 1 2.995 0.02 A 72 CYS HBx H 1 2.959 0.02 A 72 CYS C C 13 174.001 0.3 A 72 CYS CA C 13 55.301 0.3 A 72 CYS CB C 13 51.331 0.3 A 72 CYS N N 15 122.098 0.2 A 73 THR H H 1 8.975 0.02 A 73 THR HA H 1 4.224 0.02 A 73 THR HB H 1 4.393 0.02 A 73 THR HG2% H 1 1.570 0.02 A 73 THR C C 13 173.785 0.3 A 73 THR CA C 13 63.047 0.3 A 73 THR CB C 13 70.775 0.3 A 73 THR CG2 C 13 23.753 0.3 A 73 THR N N 15 113.928 0.2 A 74 SER H H 1 8.285 0.02 A 74 SER HA H 1 4.353 0.02 A 74 SER HBy H 1 3.919 0.02 A 74 SER HBx H 1 3.878 0.02 A 74 SER C C 13 175.264 0.3 A 74 SER CA C 13 58.287 0.3 A 74 SER CB C 13 64.606 0.3 A 74 SER N N 15 116.660 0.2 A 75 VAL H H 1 7.632 0.02 A 75 VAL HA H 1 3.700 0.02 A 75 VAL HB H 1 1.070 0.02 A 75 VAL HGx% H 1 0.809 0.02 A 75 VAL HGy% H 1 0.558 0.02 A 75 VAL C C 13 174.200 0.3 A 75 VAL CA C 13 62.391 0.3 A 75 VAL CB C 13 32.342 0.3 A 75 VAL CGy C 13 22.094 0.3 A 75 VAL CGx C 13 19.946 0.3 A 75 VAL N N 15 121.894 0.2 A 76 MET H H 1 7.504 0.02 A 76 MET HA H 1 4.159 0.02 A 76 MET HBy H 1 1.943 0.02 A 76 MET HBx H 1 1.882 0.02 A 76 MET HE% H 1 2.032 0.02 A 76 MET HGx H 1 2.408 0.02 A 76 MET HGy H 1 2.408 0.02 A 76 MET CA C 13 56.886 0.3 A 76 MET CB C 13 34.440 0.3 A 76 MET CE C 13 17.116 0.3 A 76 MET CG C 13 32.172 0.3 A 76 MET N N 15 125.876 0.2 stop_ save_ save_DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_2 _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 THR N A 2 THR CA A 2 THR C 1.0 -135.0 -55.0 PHI 2 2 A 2 THR N A 2 THR CA A 2 THR C A 3 PRO N 1.0 104.0 168.0 PSI 3 3 A 3 PRO N A 3 PRO CA A 3 PRO C A 4 SER N 1.0 133.0 169.0 PSI 4 4 A 3 PRO C A 4 SER N A 4 SER CA A 4 SER C 1.0 -149.0 -53.0 PHI 5 5 A 4 SER N A 4 SER CA A 4 SER C A 5 ALA N 1.0 98.0 186.0 PSI 6 6 A 4 SER C A 5 ALA N A 5 ALA CA A 5 ALA C 1.0 -69.0 -49.0 PHI 7 7 A 5 ALA N A 5 ALA CA A 5 ALA C A 6 ASP N 1.0 -47.0 -19.0 PSI 8 8 A 5 ALA C A 6 ASP N A 6 ASP CA A 6 ASP C 1.0 -73.0 -57.0 PHI 9 9 A 6 ASP N A 6 ASP CA A 6 ASP C A 7 GLN N 1.0 -61.0 -9.0 PSI 10 10 A 6 ASP C A 7 GLN N A 7 GLN CA A 7 GLN C 1.0 -76.0 -52.0 PHI 11 11 A 7 GLN N A 7 GLN CA A 7 GLN C A 8 VAL N 1.0 -47.0 -11.0 PSI 12 12 A 7 GLN C A 8 VAL N A 8 VAL CA A 8 VAL C 1.0 -137.0 -53.0 PHI 13 13 A 8 VAL N A 8 VAL CA A 8 VAL C A 9 ARG N 1.0 -42.0 34.0 PSI 14 14 A 9 ARG C A 10 TYR N A 10 TYR CA A 10 TYR C 1.0 -153.0 -105.0 PHI 15 15 A 10 TYR N A 10 TYR CA A 10 TYR C A 11 ASN N 1.0 139.0 175.0 PSI 16 16 A 10 TYR C A 11 ASN N A 11 ASN CA A 11 ASN C 1.0 -165.0 -37.0 PHI 17 17 A 11 ASN N A 11 ASN CA A 11 ASN C A 12 TYR N 1.0 115.0 143.0 PSI 18 18 A 11 ASN C A 12 TYR N A 12 TYR CA A 12 TYR C 1.0 -135.0 -75.0 PHI 19 19 A 12 TYR N A 12 TYR CA A 12 TYR C A 13 THR N 1.0 98.0 146.0 PSI 20 20 A 12 TYR C A 13 THR N A 13 THR CA A 13 THR C 1.0 -166.0 -94.0 PHI 21 21 A 13 THR N A 13 THR CA A 13 THR C A 14 GLU N 1.0 112.0 168.0 PSI 22 22 A 13 THR C A 14 GLU N A 14 GLU CA A 14 GLU C 1.0 -95.0 -51.0 PHI 23 23 A 14 GLU N A 14 GLU CA A 14 GLU C A 15 LEU N 1.0 126.0 162.0 PSI 24 24 A 14 GLU C A 15 LEU N A 15 LEU CA A 15 LEU C 1.0 -137.0 -33.0 PHI 25 25 A 15 LEU N A 15 LEU CA A 15 LEU C A 16 PRO N 1.0 111.0 179.0 PSI 26 26 A 16 PRO N A 16 PRO CA A 16 PRO C A 17 ASN N 1.0 -54.0 -6.0 PSI 27 27 A 16 PRO C A 17 ASN N A 17 ASN CA A 17 ASN C 1.0 -97.0 -69.0 PHI 28 28 A 17 ASN N A 17 ASN CA A 17 ASN C A 18 GLY N 1.0 -22.0 26.0 PSI 29 29 A 17 ASN C A 18 GLY N A 18 GLY CA A 18 GLY C 1.0 81.0 105.0 PHI 30 30 A 18 GLY N A 18 GLY CA A 18 GLY C A 19 GLU N 1.0 -25.0 15.0 PSI 31 31 A 18 GLY C A 19 GLU N A 19 GLU CA A 19 GLU C 1.0 -120.0 -56.0 PHI 32 32 A 19 GLU N A 19 GLU CA A 19 GLU C A 20 TYR N 1.0 109.0 189.0 PSI 33 33 A 19 GLU C A 20 TYR N A 20 TYR CA A 20 TYR C 1.0 -123.0 -39.0 PHI 34 34 A 20 TYR N A 20 TYR CA A 20 TYR C A 21 CYS N 1.0 -68.0 12.0 PSI 35 35 A 22 TYR C A 23 THR N A 23 THR CA A 23 THR C 1.0 -124.0 -32.0 PHI 36 36 A 23 THR N A 23 THR CA A 23 THR C A 24 PRO N 1.0 123.0 171.0 PSI 37 37 A 24 PRO C A 25 ARG N A 25 ARG CA A 25 ARG C 1.0 48.0 84.0 PHI 38 38 A 25 ARG N A 25 ARG CA A 25 ARG C A 26 ARG N 1.0 -2.0 36.0 PSI 39 39 A 25 ARG C A 26 ARG N A 26 ARG CA A 26 ARG C 1.0 -112.0 -60.0 PHI 40 40 A 26 ARG N A 26 ARG CA A 26 ARG C A 27 ARG N 1.0 113.0 161.0 PSI 41 41 A 26 ARG C A 27 ARG N A 27 ARG CA A 27 ARG C 1.0 -126.0 -42.0 PHI 42 42 A 27 ARG N A 27 ARG CA A 27 ARG C A 28 CYS N 1.0 116.0 160.0 PSI 43 43 A 27 ARG C A 28 CYS N A 28 CYS CA A 28 CYS C 1.0 -164.0 -100.0 PHI 44 44 A 28 CYS N A 28 CYS CA A 28 CYS C A 29 THR N 1.0 141.0 189.0 PSI 45 45 A 29 THR C A 30 SER N A 30 SER CA A 30 SER C 1.0 -183.0 -55.0 PHI 46 46 A 30 SER N A 30 SER CA A 30 SER C A 31 ALA N 1.0 76.0 200.0 PSI 47 47 A 30 SER C A 31 ALA N A 31 ALA CA A 31 ALA C 1.0 -65.0 -49.0 PHI 48 48 A 31 ALA N A 31 ALA CA A 31 ALA C A 32 ASP N 1.0 -56.0 -32.0 PSI 49 49 A 31 ALA C A 32 ASP N A 32 ASP CA A 32 ASP C 1.0 -78.0 -54.0 PHI 50 50 A 32 ASP N A 32 ASP CA A 32 ASP C A 33 GLN N 1.0 -60.0 4.0 PSI 51 51 A 32 ASP C A 33 GLN N A 33 GLN CA A 33 GLN C 1.0 -110.0 -58.0 PHI 52 52 A 33 GLN N A 33 GLN CA A 33 GLN C A 34 CYS N 1.0 -55.0 1.0 PSI 53 53 A 35 CYS C A 36 ARG N A 36 ARG CA A 36 ARG C 1.0 -161.0 -37.0 PHI 54 54 A 36 ARG N A 36 ARG CA A 36 ARG C A 37 PRO N 1.0 59.0 195.0 PSI 55 55 A 37 PRO N A 37 PRO CA A 37 PRO C A 38 TYR N 1.0 128.0 168.0 PSI 56 56 A 37 PRO C A 38 TYR N A 38 TYR CA A 38 TYR C 1.0 -77.0 -49.0 PHI 57 57 A 38 TYR N A 38 TYR CA A 38 TYR C A 39 ASP N 1.0 -52.0 0.0 PSI 58 58 A 39 ASP C A 40 THR N A 40 THR CA A 40 THR C 1.0 -70.0 -50.0 PHI 59 59 A 40 THR N A 40 THR CA A 40 THR C A 41 THR N 1.0 -49.0 -1.0 PSI 60 60 A 40 THR C A 41 THR N A 41 THR CA A 41 THR C 1.0 -119.0 -47.0 PHI 61 61 A 41 THR N A 41 THR CA A 41 THR C A 42 ALA N 1.0 -58.0 14.0 PSI 62 62 A 43 ALA C A 44 PHE N A 44 PHE CA A 44 PHE C 1.0 -175.0 -111.0 PHI 63 63 A 44 PHE N A 44 PHE CA A 44 PHE C A 45 HIS N 1.0 120.0 184.0 PSI 64 64 A 44 PHE C A 45 HIS N A 45 HIS CA A 45 HIS C 1.0 -156.0 -108.0 PHI 65 65 A 45 HIS N A 45 HIS CA A 45 HIS C A 46 GLY N 1.0 141.0 169.0 PSI 66 66 A 46 GLY C A 47 CYS N A 47 CYS CA A 47 CYS C 1.0 -160.0 -60.0 PHI 67 67 A 47 CYS N A 47 CYS CA A 47 CYS C A 48 GLY N 1.0 121.0 165.0 PSI 68 68 A 49 ARG C A 50 ILE N A 50 ILE CA A 50 ILE C 1.0 -124.0 -52.0 PHI 69 69 A 50 ILE N A 50 ILE CA A 50 ILE C A 51 TRP N 1.0 -60.0 20.0 PSI 70 70 A 50 ILE C A 51 TRP N A 51 TRP CA A 51 TRP C 1.0 -168.0 -76.0 PHI 71 71 A 51 TRP N A 51 TRP CA A 51 TRP C A 52 PRO N 1.0 30.0 170.0 PSI 72 72 A 52 PRO N A 52 PRO CA A 52 PRO C A 53 LYS N 1.0 -54.0 -10.0 PSI 73 73 A 52 PRO C A 53 LYS N A 53 LYS CA A 53 LYS C 1.0 -75.0 -51.0 PHI 74 74 A 53 LYS N A 53 LYS CA A 53 LYS C A 54 ASP N 1.0 -50.0 -22.0 PSI 75 75 A 53 LYS C A 54 ASP N A 54 ASP CA A 54 ASP C 1.0 -79.0 -47.0 PHI 76 76 A 54 ASP N A 54 ASP CA A 54 ASP C A 55 LYS N 1.0 -57.0 -29.0 PSI 77 77 A 54 ASP C A 55 LYS N A 55 LYS CA A 55 LYS C 1.0 -78.0 -50.0 PHI 78 78 A 55 LYS N A 55 LYS CA A 55 LYS C A 56 ARG N 1.0 -51.0 -35.0 PSI 79 79 A 55 LYS C A 56 ARG N A 56 ARG CA A 56 ARG C 1.0 -74.0 -58.0 PHI 80 80 A 56 ARG N A 56 ARG CA A 56 ARG C A 57 GLU N 1.0 -59.0 -23.0 PSI 81 81 A 56 ARG C A 57 GLU N A 57 GLU CA A 57 GLU C 1.0 -115.0 -75.0 PHI 82 82 A 57 GLU N A 57 GLU CA A 57 GLU C A 58 LYS N 1.0 -22.0 34.0 PSI 83 83 A 57 GLU C A 58 LYS N A 58 LYS CA A 58 LYS C 1.0 49.0 73.0 PHI 84 84 A 58 LYS N A 58 LYS CA A 58 LYS C A 59 VAL N 1.0 4.0 64.0 PSI 85 85 A 58 LYS C A 59 VAL N A 59 VAL CA A 59 VAL C 1.0 -160.0 -76.0 PHI 86 86 A 59 VAL N A 59 VAL CA A 59 VAL C A 60 ASP N 1.0 115.0 167.0 PSI 87 87 A 59 VAL C A 60 ASP N A 60 ASP CA A 60 ASP C 1.0 -133.0 -57.0 PHI 88 88 A 60 ASP N A 60 ASP CA A 60 ASP C A 61 ARG N 1.0 111.0 163.0 PSI 89 89 A 60 ASP C A 61 ARG N A 61 ARG CA A 61 ARG C 1.0 -175.0 -95.0 PHI 90 90 A 61 ARG N A 61 ARG CA A 61 ARG C A 62 CYS N 1.0 128.0 188.0 PSI 91 91 A 61 ARG C A 62 CYS N A 62 CYS CA A 62 CYS C 1.0 -166.0 -38.0 PHI 92 92 A 62 CYS N A 62 CYS CA A 62 CYS C A 63 TYR N 1.0 85.0 173.0 PSI 93 93 A 62 CYS C A 63 TYR N A 63 TYR CA A 63 TYR C 1.0 -169.0 -117.0 PHI 94 94 A 63 TYR N A 63 TYR CA A 63 TYR C A 64 ILE N 1.0 125.0 177.0 PSI 95 95 A 63 TYR C A 64 ILE N A 64 ILE CA A 64 ILE C 1.0 -145.0 -113.0 PHI 96 96 A 64 ILE N A 64 ILE CA A 64 ILE C A 65 CYS N 1.0 101.0 161.0 PSI 97 97 A 64 ILE C A 65 CYS N A 65 CYS CA A 65 CYS C 1.0 -156.0 -116.0 PHI 98 98 A 65 CYS N A 65 CYS CA A 65 CYS C A 66 ASN N 1.0 134.0 186.0 PSI 99 99 A 65 CYS C A 66 ASN N A 66 ASN CA A 66 ASN C 1.0 -124.0 -55.0 PHI 100 100 A 66 ASN N A 66 ASN CA A 66 ASN C A 67 ASN N 1.0 136.0 180.0 PSI 101 101 A 66 ASN C A 67 ASN N A 67 ASN CA A 67 ASN C 1.0 -73.0 -49.0 PHI 102 102 A 67 ASN N A 67 ASN CA A 67 ASN C A 68 GLU N 1.0 -54.0 -6.0 PSI 103 103 A 67 ASN C A 68 GLU N A 68 GLU CA A 68 GLU C 1.0 -108.7 -77.9 PHI 104 104 A 68 GLU N A 68 GLU CA A 68 GLU C A 69 LYS N 1.0 -9.7 28.5 PSI 105 105 A 68 GLU C A 69 LYS N A 69 LYS CA A 69 LYS C 1.0 49.0 68.0 PHI 106 106 A 69 LYS N A 69 LYS CA A 69 LYS C A 70 THR N 1.0 23.5 51.7 PSI 107 107 A 70 THR C A 71 LEU N A 71 LEU CA A 71 LEU C 1.0 -183.0 -71.0 PHI 108 108 A 71 LEU N A 71 LEU CA A 71 LEU C A 72 CYS N 1.0 104.6 170.1 PSI 109 109 A 71 LEU C A 72 CYS N A 72 CYS CA A 72 CYS C 1.0 -163.0 -95.3 PHI 110 110 A 72 CYS N A 72 CYS CA A 72 CYS C A 73 THR N 1.0 125.7 186.9 PSI 111 111 A 72 CYS C A 73 THR N A 73 THR CA A 73 THR C 1.0 -180.0 -30.0 PHI 112 112 A 73 THR N A 73 THR CA A 73 THR C A 74 SER N 1.0 105.0 189.0 PSI 113 113 A 73 THR C A 74 SER N A 74 SER CA A 74 SER C 1.0 -143.5 -54.2 PHI stop_ save_ save_DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_4 _nef_dihedral_restraint_list.potential_type . _nef_dihedral_restraint_list.restraint_origin . save_