data_nef_c25704_2n5c 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 2N5C 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 8 ASP CG 1 1 GLY N 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 PHE middle . . 3 A 3 GLY middle . false 4 A 4 SER middle . . 5 A 5 LYS middle . . 6 A 6 PRO middle . false 7 A 7 LEU middle . . 8 A 8 ASP middle . . 9 A 9 SER middle . . 10 A 10 PHE middle . . 11 A 11 GLY middle . false 12 A 12 LEU middle . . 13 A 13 ASN middle . . 14 A 14 PHE middle . . 15 A 15 PHE end . . stop_ save_ save_chaxapeptin_assignment _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode chaxapeptin_assignment 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 H1 H 1 9.230 0.020 A 1 GLY HAy H 1 3.940 0.020 A 1 GLY HAx H 1 3.250 0.020 A 1 GLY C C 13 169.860 0.400 A 1 GLY CA C 13 44.250 0.400 A 1 GLY N N 15 113.930 0.400 A 2 PHE H H 1 8.550 0.020 A 2 PHE HA H 1 3.770 0.020 A 2 PHE HBx H 1 3.330 0.020 A 2 PHE HBy H 1 3.330 0.020 A 2 PHE HD1 H 1 7.040 0.020 A 2 PHE HD2 H 1 7.040 0.020 A 2 PHE HE1 H 1 7.270 0.020 A 2 PHE HE2 H 1 7.270 0.020 A 2 PHE HZ H 1 7.160 0.020 A 2 PHE C C 13 170.630 0.400 A 2 PHE CA C 13 56.730 0.400 A 2 PHE CB C 13 33.800 0.400 A 2 PHE CD1 C 13 128.970 0.400 A 2 PHE CD2 C 13 128.970 0.400 A 2 PHE CE1 C 13 128.300 0.400 A 2 PHE CE2 C 13 128.300 0.400 A 2 PHE CG C 13 139.440 0.400 A 2 PHE CZ C 13 126.120 0.400 A 2 PHE N N 15 108.900 0.400 A 3 GLY H H 1 7.740 0.020 A 3 GLY HAy H 1 4.290 0.020 A 3 GLY HAx H 1 3.070 0.020 A 3 GLY C C 13 167.560 0.400 A 3 GLY CA C 13 43.630 0.400 A 3 GLY N N 15 103.960 0.400 A 4 SER H H 1 7.410 0.020 A 4 SER HA H 1 4.410 0.020 A 4 SER HBy H 1 3.700 0.020 A 4 SER HBx H 1 3.520 0.020 A 4 SER HG H 1 4.860 0.020 A 4 SER C C 13 169.300 0.400 A 4 SER CA C 13 55.710 0.400 A 4 SER CB C 13 62.800 0.400 A 4 SER N N 15 112.710 0.400 A 5 LYS H H 1 8.720 0.020 A 5 LYS HA H 1 4.910 0.020 A 5 LYS HBy H 1 1.630 0.020 A 5 LYS HBx H 1 1.490 0.020 A 5 LYS HDy H 1 1.490 0.020 A 5 LYS HDx H 1 1.230 0.020 A 5 LYS HEy H 1 2.750 0.020 A 5 LYS HEx H 1 2.600 0.020 A 5 LYS HGy H 1 1.310 0.020 A 5 LYS HGx H 1 1.220 0.020 A 5 LYS HZ1 H 1 8.220 0.020 A 5 LYS HZ2 H 1 4.810 0.020 A 5 LYS HZ3 H 1 8.220 0.020 A 5 LYS C C 13 171.240 0.400 A 5 LYS CA C 13 49.500 0.400 A 5 LYS CB C 13 32.550 0.400 A 5 LYS CD C 13 26.400 0.400 A 5 LYS CE C 13 37.940 0.400 A 5 LYS CG C 13 19.910 0.400 A 5 LYS N N 15 121.230 0.400 A 5 LYS NZ N 15 115.260 0.400 A 6 PRO HA H 1 4.170 0.020 A 6 PRO HBy H 1 2.140 0.020 A 6 PRO HBx H 1 1.880 0.020 A 6 PRO HDy H 1 3.790 0.020 A 6 PRO HDx H 1 3.600 0.020 A 6 PRO HGy H 1 2.150 0.020 A 6 PRO HGx H 1 1.810 0.020 A 6 PRO C C 13 171.660 0.400 A 6 PRO CA C 13 57.770 0.400 A 6 PRO CB C 13 29.030 0.400 A 6 PRO CD C 13 47.300 0.400 A 6 PRO CG C 13 25.680 0.400 A 7 LEU H H 1 6.700 0.020 A 7 LEU HA H 1 4.550 0.020 A 7 LEU HBy H 1 1.810 0.020 A 7 LEU HBx H 1 1.580 0.020 A 7 LEU HD1% H 1 0.790 0.020 A 7 LEU HD2% H 1 0.720 0.020 A 7 LEU HG H 1 1.630 0.020 A 7 LEU C C 13 170.700 0.400 A 7 LEU CA C 13 53.650 0.400 A 7 LEU CB C 13 43.770 0.400 A 7 LEU CD1 C 13 22.850 0.400 A 7 LEU CD2 C 13 23.410 0.400 A 7 LEU CG C 13 23.240 0.400 A 7 LEU N N 15 118.170 0.400 A 8 ASP H H 1 8.960 0.020 A 8 ASP HA H 1 4.620 0.020 A 8 ASP HBy H 1 3.400 0.020 A 8 ASP HBx H 1 2.630 0.020 A 8 ASP C C 13 170.810 0.400 A 8 ASP CA C 13 49.060 0.400 A 8 ASP CB C 13 36.120 0.400 A 8 ASP CG C 13 169.910 0.400 A 8 ASP N N 15 117.880 0.400 A 9 SER H H 1 8.340 0.020 A 9 SER HA H 1 3.760 0.020 A 9 SER HBy H 1 3.360 0.020 A 9 SER HBx H 1 3.090 0.020 A 9 SER HG H 1 4.910 0.020 A 9 SER C C 13 168.880 0.400 A 9 SER CA C 13 59.940 0.400 A 9 SER CB C 13 60.530 0.400 A 9 SER N N 15 111.550 0.400 A 10 PHE H H 1 8.870 0.020 A 10 PHE HA H 1 4.510 0.020 A 10 PHE HBy H 1 3.140 0.020 A 10 PHE HBx H 1 2.750 0.020 A 10 PHE HD1 H 1 7.140 0.020 A 10 PHE HD2 H 1 7.140 0.020 A 10 PHE HE1 H 1 7.210 0.020 A 10 PHE HE2 H 1 7.210 0.020 A 10 PHE HZ H 1 7.150 0.020 A 10 PHE C C 13 170.450 0.400 A 10 PHE CA C 13 53.480 0.400 A 10 PHE CB C 13 38.210 0.400 A 10 PHE CD1 C 13 127.840 0.400 A 10 PHE CD2 C 13 127.840 0.400 A 10 PHE CE1 C 13 128.000 0.400 A 10 PHE CE2 C 13 128.000 0.400 A 10 PHE CG C 13 137.920 0.400 A 10 PHE CZ C 13 126.120 0.400 A 10 PHE N N 15 112.500 0.400 A 11 GLY H H 1 7.240 0.020 A 11 GLY HAy H 1 4.180 0.020 A 11 GLY HAx H 1 3.470 0.020 A 11 GLY C C 13 168.060 0.400 A 11 GLY CA C 13 42.410 0.400 A 11 GLY N N 15 104.020 0.400 A 12 LEU H H 1 8.660 0.020 A 12 LEU HA H 1 3.860 0.020 A 12 LEU HBy H 1 1.890 0.020 A 12 LEU HBx H 1 0.700 0.020 A 12 LEU HD1% H 1 0.510 0.020 A 12 LEU HD2% H 1 0.810 0.020 A 12 LEU HG H 1 1.530 0.020 A 12 LEU C C 13 171.980 0.400 A 12 LEU CA C 13 52.400 0.400 A 12 LEU CB C 13 36.930 0.400 A 12 LEU CD1 C 13 19.100 0.400 A 12 LEU CD2 C 13 19.100 0.400 A 12 LEU CG C 13 23.670 0.400 A 12 LEU N N 15 124.050 0.400 A 13 ASN H H 1 9.640 0.020 A 13 ASN HA H 1 5.070 0.020 A 13 ASN HBy H 1 2.630 0.020 A 13 ASN HBx H 1 2.020 0.020 A 13 ASN HD2y H 1 7.200 0.020 A 13 ASN HD2x H 1 6.660 0.020 A 13 ASN C C 13 172.810 0.400 A 13 ASN CA C 13 49.660 0.400 A 13 ASN CB C 13 40.780 0.400 A 13 ASN CG C 13 171.910 0.400 A 13 ASN N N 15 118.620 0.400 A 13 ASN ND2 N 15 108.530 0.400 A 14 PHE H H 1 6.860 0.020 A 14 PHE HA H 1 4.730 0.020 A 14 PHE HBy H 1 3.290 0.020 A 14 PHE HBx H 1 2.860 0.020 A 14 PHE HD1 H 1 7.410 0.020 A 14 PHE HD2 H 1 7.410 0.020 A 14 PHE HE1 H 1 7.340 0.020 A 14 PHE HE2 H 1 7.340 0.020 A 14 PHE HZ H 1 7.290 0.020 A 14 PHE C C 13 167.230 0.400 A 14 PHE CA C 13 54.920 0.400 A 14 PHE CB C 13 35.830 0.400 A 14 PHE CD1 C 13 130.200 0.400 A 14 PHE CD2 C 13 130.200 0.400 A 14 PHE CE1 C 13 128.300 0.400 A 14 PHE CE2 C 13 128.300 0.400 A 14 PHE CG C 13 136.340 0.400 A 14 PHE CZ C 13 126.650 0.400 A 14 PHE N N 15 117.930 0.400 A 15 PHE H H 1 6.630 0.020 A 15 PHE HA H 1 4.210 0.020 A 15 PHE HBy H 1 2.820 0.020 A 15 PHE HBx H 1 2.690 0.020 A 15 PHE HD1 H 1 6.660 0.020 A 15 PHE HD2 H 1 6.660 0.020 A 15 PHE HE1 H 1 7.140 0.020 A 15 PHE HE2 H 1 7.140 0.020 A 15 PHE HZ H 1 7.200 0.020 A 15 PHE C C 13 174.450 0.400 A 15 PHE CA C 13 55.490 0.400 A 15 PHE CB C 13 37.910 0.400 A 15 PHE CD1 C 13 129.870 0.400 A 15 PHE CD2 C 13 129.870 0.400 A 15 PHE CE1 C 13 129.050 0.400 A 15 PHE CE2 C 13 129.050 0.400 A 15 PHE CG C 13 138.440 0.400 A 15 PHE CZ C 13 125.870 0.400 A 15 PHE N N 15 118.710 0.400 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 5 LYS HA A 13 ASN H 1.0 . 5.15 2 2 A 13 ASN H A 6 PRO HA 1.0 . 4.74 3 3 A 13 ASN H A 8 ASP HBy 1.0 . 3.65 4 4 A 13 ASN H A 13 ASN HBx 1.0 . 3.78 5 5 A 13 ASN H A 13 ASN HBy 1.0 . 3.24 6 6 A 13 ASN H A 12 LEU HA 1.0 . 2.96 7 7 A 8 ASP HBy A 1 GLY H1 1.0 . 3.72 8 8 A 1 GLY H1 A 8 ASP HBx 1.0 . 3.59 9 9 A 1 GLY H1 A 14 PHE H 1.0 . 4.58 10 10 A 1 GLY H1 A 13 ASN HA 1.0 . 2.98 11 11 A 8 ASP H A 7 LEU HBy 1.0 . 3.58 12 12 A 10 PHE H A 1 GLY HAx 1.0 . 5.50 13 13 A 13 ASN H A 5 LYS H 1.0 . 3.57 14 14 A 5 LYS H A 5 LYS HBx 1.0 . 3.69 15 15 A 12 LEU H A 12 LEU HBy 1.0 . 3.08 16 16 A 12 LEU H A 11 GLY HAy 1.0 . 3.41 17 17 A 12 LEU H A 12 LEU HG 1.0 . 2.96 18 18 A 12 LEU H A 12 LEU HD2% 1.0 . 3.84 19 19 A 2 PHE H A 3 GLY H 1.0 . 4.00 20 20 A 8 ASP HBy A 9 SER H 1.0 . 3.69 21 21 A 10 PHE H A 9 SER H 1.0 . 3.86 22 22 A 9 SER H A 8 ASP HA 1.0 . 3.36 23 23 A 8 ASP HBx A 9 SER H 1.0 . 2.64 24 24 A 4 SER HG A 5 LYS HZ% 1.0 . 3.09 25 25 A 5 LYS HZ% A 15 PHE HA 1.0 . 5.05 26 26 A 5 LYS HZ% A 15 PHE HBx 1.0 . 4.78 27 27 A 5 LYS HZ% A 15 PHE HBy 1.0 . 4.78 28 28 A 5 LYS HZ% A 15 PHE H 1.0 . 3.34 29 29 A 12 LEU HBy A 3 GLY H 1.0 . 5.16 30 30 A 13 ASN HA A 3 GLY H 1.0 . 4.55 31 31 A 5 LYS H A 4 SER H 1.0 . 3.58 32 32 A 4 SER H A 14 PHE HA 1.0 . 3.91 33 33 A 4 SER H A 3 GLY HAy 1.0 . 3.40 34 34 A 14 PHE H A 14 PHE HD2 1.0 . 3.69 35 35 A 8 ASP H A 11 GLY H 1.0 . 5.15 36 36 A 10 PHE H A 11 GLY H 1.0 . 3.64 37 37 A 2 PHE HD2 A 10 PHE HE2 1.0 . 3.88 38 38 A 2 PHE HD2 A 10 PHE HBy 1.0 . 5.09 39 39 A 10 PHE H A 2 PHE HD2 1.0 . 5.50 40 40 A 14 PHE H A 13 ASN HA 1.0 . 2.95 41 41 A 14 PHE H A 14 PHE HD1 1.0 . 5.49 42 42 A 7 LEU H A 7 LEU HD2% 1.0 . 5.10 43 43 A 15 PHE HBx A 15 PHE H 1.0 . 3.94 44 44 A 15 PHE HBy A 15 PHE H 1.0 . 3.94 45 45 A 15 PHE HA A 15 PHE HD2 1.0 . 4.64 46 46 A 5 LYS HA A 6 PRO HDy 1.0 . 3.35 47 47 A 5 LYS HZ% A 15 PHE HBx 1.0 . 5.50 48 48 A 5 LYS HZ% A 15 PHE H 1.0 . 3.70 49 49 A 1 GLY H1 A 8 ASP HA 1.0 . 5.50 50 50 A 8 ASP H A 7 LEU HA 1.0 . 3.02 51 51 A 13 ASN H A 7 LEU HA 1.0 . 4.89 52 52 A 11 GLY HAy A 7 LEU HA 1.0 . 3.41 53 53 A 2 PHE HD2 A 10 PHE HA 1.0 . 5.50 54 54 A 4 SER HA A 12 LEU HBx 1.0 . 3.90 55 55 A 12 LEU HBy A 4 SER HA 1.0 . 5.11 56 56 A 8 ASP H A 11 GLY HAy 1.0 . 4.70 57 57 A 2 PHE H A 1 GLY HAy 1.0 . 3.45 58 58 A 10 PHE H A 1 GLY HAy 1.0 . 5.50 59 59 A 12 LEU HA A 8 ASP H 1.0 . 5.14 60 60 A 12 LEU HA A 7 LEU HA 1.0 . 4.02 61 61 A 12 LEU HA A 5 LYS H 1.0 . 5.50 62 62 A 9 SER HA A 9 SER HG 1.0 . 3.53 63 63 A 2 PHE HA A 10 PHE HD2 1.0 . 5.50 64 64 A 2 PHE H A 2 PHE HA 1.0 . 2.90 65 65 A 5 LYS H A 4 SER HBy 1.0 . 5.50 66 66 A 5 LYS HA A 6 PRO HDx 1.0 . 3.35 67 67 A 5 LYS H A 4 SER HBx 1.0 . 5.50 68 68 A 8 ASP HBx A 10 PHE H 1.0 . 4.51 69 69 A 8 ASP HBx A 8 ASP HA 1.0 . 2.99 70 70 A 14 PHE H A 14 PHE HBy 1.0 . 4.11 71 71 A 2 PHE H A 1 GLY HAx 1.0 . 3.45 72 72 A 11 GLY H A 10 PHE HBy 1.0 . 5.50 73 73 A 4 SER H A 3 GLY HAx 1.0 . 3.40 74 74 A 14 PHE H A 14 PHE HBx 1.0 . 4.11 75 75 A 5 LYS HZ% A 15 PHE HBy 1.0 . 5.50 76 76 A 11 GLY H A 10 PHE HBx 1.0 . 5.50 77 77 A 2 PHE HD2 A 10 PHE HBx 1.0 . 5.09 78 78 A 13 ASN HBx A 5 LYS HZ% 1.0 . 4.10 79 79 A 13 ASN HBx A 14 PHE H 1.0 . 5.50 80 80 A 8 ASP HBy A 13 ASN HA 1.0 . 4.17 81 81 A 8 ASP HBy A 7 LEU H 1.0 . 5.50 82 82 A 13 ASN HBx A 5 LYS H 1.0 . 5.41 83 83 A 8 ASP HBy A 7 LEU HA 1.0 . 5.50 84 84 A 7 LEU HA A 6 PRO HBy 1.0 . 5.50 85 85 A 13 ASN HBy A 5 LYS H 1.0 . 5.50 86 86 A 13 ASN HBy A 7 LEU HA 1.0 . 5.50 87 87 A 13 ASN HBy A 5 LYS HZ% 1.0 . 5.50 88 88 A 13 ASN HBy A 1 GLY H1 1.0 . 4.04 89 89 A 13 ASN HBy A 14 PHE H 1.0 . 5.50 90 90 A 8 ASP HBy A 13 ASN HBy 1.0 . 2.82 91 91 A 13 ASN H A 12 LEU HBy 1.0 . 4.20 92 92 A 5 LYS H A 12 LEU HBy 1.0 . 4.40 93 93 A 5 LYS H A 5 LYS HBy 1.0 . 3.69 94 94 A 7 LEU H A 7 LEU HG 1.0 . 4.06 95 95 A 8 ASP H A 7 LEU HBx 1.0 . 3.58 96 96 A 6 PRO HBy A 7 LEU HG 1.0 . 5.00 97 97 A 13 ASN H A 12 LEU HG 1.0 . 5.36 98 98 A 12 LEU HBy A 12 LEU HD1% 1.0 . 3.89 99 99 A 4 SER HA A 12 LEU HD1% 1.0 . 4.04 100 100 A 12 LEU HD2% A 12 LEU HD1% 1.0 . 3.59 101 101 A 7 LEU HD2% A 7 LEU HA 1.0 . 4.44 102 102 A 8 ASP H A 7 LEU HD2% 1.0 . 5.07 103 103 A 12 LEU H A 12 LEU HBx 1.0 . 3.98 104 104 A 13 ASN H A 12 LEU HBx 1.0 . 3.59 105 105 A 5 LYS H A 12 LEU HBx 1.0 . 3.72 106 106 A 4 SER H A 12 LEU HBx 1.0 . 5.08 107 107 A 3 GLY H A 12 LEU HBx 1.0 . 5.18 108 108 A 12 LEU HD2% A 12 LEU HBx 1.0 . 3.76 109 109 A 12 LEU HD2% A 4 SER HA 1.0 . 5.50 110 110 A 5 LYS H A 12 LEU HD2% 1.0 . 4.45 111 111 A 13 ASN H A 12 LEU HD2% 1.0 . 4.05 112 112 A 12 LEU HA A 12 LEU HD2% 1.0 . 3.17 113 113 A 12 LEU HD2% A 7 LEU HA 1.0 . 4.95 114 114 A 5 LYS HA A 12 LEU HD2% 1.0 . 5.50 115 115 A 6 PRO HA A 12 LEU HD2% 1.0 . 3.56 116 116 A 2 PHE H A 1 GLY HAx 1.0 . 2.94 117 116 A 2 PHE H A 1 GLY HAy 1.0 . 2.94 118 117 A 3 GLY H A 1 GLY HAx 1.0 . 5.34 119 117 A 3 GLY H A 1 GLY HAy 1.0 . 5.34 120 118 A 10 PHE HA A 1 GLY HAx 1.0 . 5.34 121 118 A 10 PHE HA A 1 GLY HAy 1.0 . 5.34 122 119 A 1 GLY HAy A 10 PHE HBy 1.0 . 5.18 123 119 A 10 PHE HBx A 1 GLY HAx 1.0 . 5.18 124 119 A 1 GLY HAy A 10 PHE HBx 1.0 . 5.18 125 119 A 1 GLY HAx A 10 PHE HBy 1.0 . 5.18 126 120 A 13 ASN HA A 1 GLY HAx 1.0 . 5.34 127 120 A 13 ASN HA A 1 GLY HAy 1.0 . 5.34 128 121 A 2 PHE H A 10 PHE HBy 1.0 . 5.34 129 121 A 2 PHE H A 10 PHE HBx 1.0 . 5.34 130 122 A 10 PHE HD2 A 2 PHE HBx 1.0 . 4.17 131 122 A 10 PHE HD2 A 2 PHE HBy 1.0 . 4.17 132 123 A 2 PHE HE2 A 10 PHE HBy 1.0 . 5.34 133 123 A 10 PHE HBx A 2 PHE HE2 1.0 . 5.34 134 124 A 2 PHE HD2 A 10 PHE HBy 1.0 . 4.28 135 124 A 2 PHE HD2 A 10 PHE HBx 1.0 . 4.28 136 125 A 3 GLY H A 14 PHE HBy 1.0 . 5.34 137 125 A 3 GLY H A 14 PHE HBx 1.0 . 5.34 138 126 A 4 SER H A 3 GLY HAx 1.0 . 2.89 139 126 A 4 SER H A 3 GLY HAy 1.0 . 2.89 140 127 A 4 SER HA A 3 GLY HAx 1.0 . 4.72 141 127 A 4 SER HA A 3 GLY HAy 1.0 . 4.72 142 128 A 5 LYS H A 3 GLY HAx 1.0 . 4.44 143 128 A 5 LYS H A 3 GLY HAy 1.0 . 4.44 144 129 A 14 PHE H A 3 GLY HAx 1.0 . 5.23 145 129 A 14 PHE H A 3 GLY HAy 1.0 . 5.23 146 130 A 14 PHE HA A 3 GLY HAx 1.0 . 3.06 147 130 A 14 PHE HA A 3 GLY HAy 1.0 . 3.06 148 131 A 3 GLY HAy A 14 PHE HBy 1.0 . 3.91 149 131 A 14 PHE HBx A 3 GLY HAx 1.0 . 3.91 150 131 A 14 PHE HBx A 3 GLY HAy 1.0 . 3.91 151 131 A 3 GLY HAx A 14 PHE HBy 1.0 . 3.91 152 132 A 4 SER H A 5 LYS HBx 1.0 . 5.34 153 132 A 4 SER H A 5 LYS HBy 1.0 . 5.34 154 133 A 5 LYS H A 5 LYS HBx 1.0 . 2.93 155 133 A 5 LYS H A 5 LYS HBy 1.0 . 2.93 156 134 A 5 LYS H A 5 LYS HGy 1.0 . 4.64 157 134 A 5 LYS H A 5 LYS HGx 1.0 . 4.64 158 135 A 5 LYS H A 5 LYS HEy 1.0 . 5.34 159 135 A 5 LYS H A 5 LYS HEx 1.0 . 5.34 160 136 A 5 LYS HA A 6 PRO HDx 1.0 . 2.85 161 136 A 5 LYS HA A 6 PRO HDy 1.0 . 2.85 162 137 A 5 LYS HBx A 5 LYS HEy 1.0 . 5.18 163 137 A 5 LYS HBy A 5 LYS HEy 1.0 . 5.18 164 137 A 5 LYS HEx A 5 LYS HBx 1.0 . 5.18 165 137 A 5 LYS HBy A 5 LYS HEx 1.0 . 5.18 166 138 A 13 ASN H A 5 LYS HBx 1.0 . 4.35 167 138 A 13 ASN H A 5 LYS HBy 1.0 . 4.35 168 139 A 13 ASN HBx A 5 LYS HBx 1.0 . 4.57 169 139 A 13 ASN HBx A 5 LYS HBy 1.0 . 4.57 170 140 A 13 ASN HBx A 5 LYS HGy 1.0 . 5.34 171 140 A 13 ASN HBx A 5 LYS HGx 1.0 . 5.34 172 141 A 13 ASN HBx A 5 LYS HDy 1.0 . 4.89 173 141 A 13 ASN HBx A 5 LYS HDx 1.0 . 4.89 174 142 A 5 LYS HZ% A 14 PHE HBx 1.0 . 5.34 175 142 A 5 LYS HZ% A 14 PHE HBy 1.0 . 5.34 176 143 A 6 PRO HBy A 7 LEU HBy 1.0 . 4.76 177 143 A 6 PRO HBy A 7 LEU HBx 1.0 . 4.76 178 144 A 7 LEU H A 6 PRO HGy 1.0 . 4.88 179 144 A 7 LEU H A 6 PRO HGx 1.0 . 4.88 180 145 A 13 ASN H A 6 PRO HDx 1.0 . 4.99 181 145 A 13 ASN H A 6 PRO HDy 1.0 . 4.99 182 146 A 7 LEU HD2% A 7 LEU HBy 1.0 . 3.55 183 146 A 7 LEU HD2% A 7 LEU HBx 1.0 . 3.55 184 147 A 8 ASP H A 7 LEU HBy 1.0 . 2.96 185 147 A 8 ASP H A 7 LEU HBx 1.0 . 2.96 186 148 A 11 GLY H A 7 LEU HBy 1.0 . 5.34 187 148 A 11 GLY H A 7 LEU HBx 1.0 . 5.34 188 149 A 8 ASP HBy A 13 ASN HD2y 1.0 . 5.29 189 149 A 8 ASP HBy A 13 ASN HD2x 1.0 . 5.29 190 150 A 9 SER H A 9 SER HBy 1.0 . 3.23 191 150 A 9 SER H A 9 SER HBx 1.0 . 3.23 192 151 A 9 SER HG A 9 SER HBy 1.0 . 2.28 193 151 A 9 SER HG A 9 SER HBx 1.0 . 2.28 194 152 A 10 PHE H A 9 SER HBy 1.0 . 3.86 195 152 A 10 PHE H A 9 SER HBx 1.0 . 3.86 196 153 A 10 PHE H A 10 PHE HBy 1.0 . 3.26 197 153 A 10 PHE H A 10 PHE HBx 1.0 . 3.26 198 154 A 13 ASN HA A 14 PHE HBy 1.0 . 5.34 199 154 A 13 ASN HA A 14 PHE HBx 1.0 . 5.34 200 155 A 14 PHE H A 13 ASN HD2y 1.0 . 3.95 201 155 A 14 PHE H A 13 ASN HD2x 1.0 . 3.95 202 156 A 14 PHE H A 14 PHE HBy 1.0 . 3.35 203 156 A 14 PHE H A 14 PHE HBx 1.0 . 3.35 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 PHE N A 2 PHE CA A 2 PHE C 1.0 -175.0 75.0 PHI 2 2 A 1 GLY C A 2 PHE N A 2 PHE CA A 2 PHE C 1.0 -255.0 -25.0 PHI 3 3 A 1 GLY C A 2 PHE N A 2 PHE CA A 2 PHE C 1.0 -135.0 75.0 PHI 4 4 A 2 PHE N A 2 PHE CA A 2 PHE C A 3 GLY N 1.0 -75.0 185.0 PSI 5 5 A 2 PHE N A 2 PHE CA A 2 PHE C A 3 GLY N 1.0 25.0 55.0 PSI 6 6 A 2 PHE N A 2 PHE CA A 2 PHE C A 3 GLY N 1.0 105.0 185.0 PSI 7 7 A 3 GLY C A 4 SER N A 4 SER CA A 4 SER C 1.0 -175.0 75.0 PHI 8 8 A 3 GLY C A 4 SER N A 4 SER CA A 4 SER C 1.0 -255.0 -25.0 PHI 9 9 A 3 GLY C A 4 SER N A 4 SER CA A 4 SER C 1.0 -135.0 75.0 PHI 10 10 A 4 SER N A 4 SER CA A 4 SER C A 5 LYS N 1.0 -75.0 185.0 PSI 11 11 A 4 SER N A 4 SER CA A 4 SER C A 5 LYS N 1.0 25.0 55.0 PSI 12 12 A 4 SER N A 4 SER CA A 4 SER C A 5 LYS N 1.0 105.0 185.0 PSI 13 13 A 6 PRO C A 7 LEU N A 7 LEU CA A 7 LEU C 1.0 -175.0 75.0 PHI 14 14 A 6 PRO C A 7 LEU N A 7 LEU CA A 7 LEU C 1.0 -255.0 -25.0 PHI 15 15 A 6 PRO C A 7 LEU N A 7 LEU CA A 7 LEU C 1.0 -135.0 75.0 PHI 16 16 A 7 LEU N A 7 LEU CA A 7 LEU C A 8 ASP N 1.0 -75.0 185.0 PSI 17 17 A 7 LEU N A 7 LEU CA A 7 LEU C A 8 ASP N 1.0 25.0 55.0 PSI 18 18 A 7 LEU N A 7 LEU CA A 7 LEU C A 8 ASP N 1.0 105.0 185.0 PSI 19 19 A 7 LEU C A 8 ASP N A 8 ASP CA A 8 ASP C 1.0 -175.0 75.0 PHI 20 20 A 7 LEU C A 8 ASP N A 8 ASP CA A 8 ASP C 1.0 -255.0 -25.0 PHI 21 21 A 7 LEU C A 8 ASP N A 8 ASP CA A 8 ASP C 1.0 -135.0 75.0 PHI 22 22 A 8 ASP N A 8 ASP CA A 8 ASP C A 9 SER N 1.0 -75.0 185.0 PSI 23 23 A 8 ASP N A 8 ASP CA A 8 ASP C A 9 SER N 1.0 25.0 55.0 PSI 24 24 A 8 ASP N A 8 ASP CA A 8 ASP C A 9 SER N 1.0 105.0 185.0 PSI 25 25 A 8 ASP C A 9 SER N A 9 SER CA A 9 SER C 1.0 -175.0 75.0 PHI 26 26 A 8 ASP C A 9 SER N A 9 SER CA A 9 SER C 1.0 -255.0 -25.0 PHI 27 27 A 8 ASP C A 9 SER N A 9 SER CA A 9 SER C 1.0 -135.0 75.0 PHI 28 28 A 9 SER N A 9 SER CA A 9 SER C A 10 PHE N 1.0 -75.0 185.0 PSI 29 29 A 9 SER N A 9 SER CA A 9 SER C A 10 PHE N 1.0 25.0 55.0 PSI 30 30 A 9 SER N A 9 SER CA A 9 SER C A 10 PHE N 1.0 105.0 185.0 PSI 31 31 A 9 SER C A 10 PHE N A 10 PHE CA A 10 PHE C 1.0 -175.0 75.0 PHI 32 32 A 9 SER C A 10 PHE N A 10 PHE CA A 10 PHE C 1.0 -255.0 -25.0 PHI 33 33 A 9 SER C A 10 PHE N A 10 PHE CA A 10 PHE C 1.0 -135.0 75.0 PHI 34 34 A 10 PHE N A 10 PHE CA A 10 PHE C A 11 GLY N 1.0 -75.0 185.0 PSI 35 35 A 10 PHE N A 10 PHE CA A 10 PHE C A 11 GLY N 1.0 25.0 55.0 PSI 36 36 A 10 PHE N A 10 PHE CA A 10 PHE C A 11 GLY N 1.0 105.0 185.0 PSI 37 37 A 11 GLY C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -175.0 75.0 PHI 38 38 A 11 GLY C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -255.0 -25.0 PHI 39 39 A 11 GLY C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -135.0 75.0 PHI 40 40 A 12 LEU N A 12 LEU CA A 12 LEU C A 13 ASN N 1.0 -75.0 185.0 PSI 41 41 A 12 LEU N A 12 LEU CA A 12 LEU C A 13 ASN N 1.0 25.0 55.0 PSI 42 42 A 12 LEU N A 12 LEU CA A 12 LEU C A 13 ASN N 1.0 105.0 185.0 PSI 43 43 A 12 LEU C A 13 ASN N A 13 ASN CA A 13 ASN C 1.0 -175.0 75.0 PHI 44 44 A 12 LEU C A 13 ASN N A 13 ASN CA A 13 ASN C 1.0 -255.0 -25.0 PHI 45 45 A 12 LEU C A 13 ASN N A 13 ASN CA A 13 ASN C 1.0 -135.0 75.0 PHI 46 46 A 13 ASN N A 13 ASN CA A 13 ASN C A 14 PHE N 1.0 -75.0 185.0 PSI 47 47 A 13 ASN N A 13 ASN CA A 13 ASN C A 14 PHE N 1.0 25.0 55.0 PSI 48 48 A 13 ASN N A 13 ASN CA A 13 ASN C A 14 PHE N 1.0 105.0 185.0 PSI 49 49 A 13 ASN C A 14 PHE N A 14 PHE CA A 14 PHE C 1.0 -175.0 75.0 PHI 50 50 A 13 ASN C A 14 PHE N A 14 PHE CA A 14 PHE C 1.0 -255.0 -25.0 PHI 51 51 A 13 ASN C A 14 PHE N A 14 PHE CA A 14 PHE C 1.0 -135.0 75.0 PHI 52 52 A 14 PHE N A 14 PHE CA A 14 PHE C A 15 PHE N 1.0 -75.0 185.0 PSI 53 53 A 14 PHE N A 14 PHE CA A 14 PHE C A 15 PHE N 1.0 25.0 55.0 PSI 54 54 A 14 PHE N A 14 PHE CA A 14 PHE C A 15 PHE N 1.0 105.0 185.0 PSI 55 55 A 14 PHE C A 15 PHE N A 15 PHE CA A 15 PHE C 1.0 -175.0 75.0 PHI 56 56 A 14 PHE C A 15 PHE N A 15 PHE CA A 15 PHE C 1.0 -255.0 -25.0 PHI 57 57 A 14 PHE C A 15 PHE N A 15 PHE CA A 15 PHE C 1.0 -135.0 75.0 PHI 58 58 A 2 PHE N A 2 PHE CA A 2 PHE CB A 2 PHE CG 1.0 -90.0 210.0 CHI1 59 59 A 2 PHE N A 2 PHE CA A 2 PHE CB A 2 PHE CG 1.0 -330.0 -30.0 CHI1 60 60 A 2 PHE N A 2 PHE CA A 2 PHE CB A 2 PHE CG 1.0 -210.0 90.0 CHI1 61 61 A 4 SER N A 4 SER CA A 4 SER CB A 4 SER OG 1.0 -90.0 210.0 CHI1 62 62 A 4 SER N A 4 SER CA A 4 SER CB A 4 SER OG 1.0 -330.0 -30.0 CHI1 63 63 A 4 SER N A 4 SER CA A 4 SER CB A 4 SER OG 1.0 -210.0 90.0 CHI1 64 64 A 5 LYS N A 5 LYS CA A 5 LYS CB A 5 LYS CG 1.0 -90.0 210.0 CHI1 65 65 A 5 LYS N A 5 LYS CA A 5 LYS CB A 5 LYS CG 1.0 -330.0 -30.0 CHI1 66 66 A 5 LYS N A 5 LYS CA A 5 LYS CB A 5 LYS CG 1.0 -210.0 90.0 CHI1 67 67 A 5 LYS CA A 5 LYS CB A 5 LYS CG A 5 LYS CD 1.0 -90.0 210.0 CHI2 68 68 A 5 LYS CA A 5 LYS CB A 5 LYS CG A 5 LYS CD 1.0 -330.0 -30.0 CHI2 69 69 A 5 LYS CA A 5 LYS CB A 5 LYS CG A 5 LYS CD 1.0 -210.0 90.0 CHI2 70 70 A 5 LYS CB A 5 LYS CG A 5 LYS CD A 5 LYS CE 1.0 -90.0 210.0 CHI3 71 71 A 5 LYS CB A 5 LYS CG A 5 LYS CD A 5 LYS CE 1.0 -330.0 -30.0 CHI3 72 72 A 5 LYS CB A 5 LYS CG A 5 LYS CD A 5 LYS CE 1.0 -210.0 90.0 CHI3 73 73 A 5 LYS CG A 5 LYS CD A 5 LYS CE A 5 LYS NZ 1.0 -90.0 210.0 CHI4 74 74 A 5 LYS CG A 5 LYS CD A 5 LYS CE A 5 LYS NZ 1.0 -330.0 -30.0 CHI4 75 75 A 5 LYS CG A 5 LYS CD A 5 LYS CE A 5 LYS NZ 1.0 -210.0 90.0 CHI4 76 76 A 7 LEU N A 7 LEU CA A 7 LEU CB A 7 LEU CG 1.0 -90.0 210.0 CHI1 77 77 A 7 LEU N A 7 LEU CA A 7 LEU CB A 7 LEU CG 1.0 -330.0 -30.0 CHI1 78 78 A 7 LEU N A 7 LEU CA A 7 LEU CB A 7 LEU CG 1.0 -210.0 90.0 CHI1 79 79 A 7 LEU CA A 7 LEU CB A 7 LEU CG A 7 LEU CD1 1.0 -90.0 210.0 CHI2 80 80 A 7 LEU CA A 7 LEU CB A 7 LEU CG A 7 LEU CD1 1.0 -330.0 -30.0 CHI2 81 81 A 7 LEU CA A 7 LEU CB A 7 LEU CG A 7 LEU CD1 1.0 -210.0 90.0 CHI2 82 82 A 8 ASP N A 8 ASP CA A 8 ASP CB A 8 ASP CG 1.0 -90.0 210.0 CHI1 83 83 A 8 ASP N A 8 ASP CA A 8 ASP CB A 8 ASP CG 1.0 -330.0 -30.0 CHI1 84 84 A 8 ASP N A 8 ASP CA A 8 ASP CB A 8 ASP CG 1.0 -210.0 90.0 CHI1 85 85 A 9 SER N A 9 SER CA A 9 SER CB A 9 SER OG 1.0 -90.0 210.0 CHI1 86 86 A 9 SER N A 9 SER CA A 9 SER CB A 9 SER OG 1.0 -330.0 -30.0 CHI1 87 87 A 9 SER N A 9 SER CA A 9 SER CB A 9 SER OG 1.0 -210.0 90.0 CHI1 88 88 A 10 PHE N A 10 PHE CA A 10 PHE CB A 10 PHE CG 1.0 -90.0 210.0 CHI1 89 89 A 10 PHE N A 10 PHE CA A 10 PHE CB A 10 PHE CG 1.0 -330.0 -30.0 CHI1 90 90 A 10 PHE N A 10 PHE CA A 10 PHE CB A 10 PHE CG 1.0 -210.0 90.0 CHI1 91 91 A 12 LEU N A 12 LEU CA A 12 LEU CB A 12 LEU CG 1.0 -90.0 210.0 CHI1 92 92 A 12 LEU N A 12 LEU CA A 12 LEU CB A 12 LEU CG 1.0 -330.0 -30.0 CHI1 93 93 A 12 LEU N A 12 LEU CA A 12 LEU CB A 12 LEU CG 1.0 -210.0 90.0 CHI1 94 94 A 12 LEU CA A 12 LEU CB A 12 LEU CG A 12 LEU CD1 1.0 -90.0 210.0 CHI2 95 95 A 12 LEU CA A 12 LEU CB A 12 LEU CG A 12 LEU CD1 1.0 -330.0 -30.0 CHI2 96 96 A 12 LEU CA A 12 LEU CB A 12 LEU CG A 12 LEU CD1 1.0 -210.0 90.0 CHI2 97 97 A 13 ASN N A 13 ASN CA A 13 ASN CB A 13 ASN CG 1.0 -90.0 210.0 CHI1 98 98 A 13 ASN N A 13 ASN CA A 13 ASN CB A 13 ASN CG 1.0 -330.0 -30.0 CHI1 99 99 A 13 ASN N A 13 ASN CA A 13 ASN CB A 13 ASN CG 1.0 -210.0 90.0 CHI1 100 100 A 14 PHE N A 14 PHE CA A 14 PHE CB A 14 PHE CG 1.0 -90.0 210.0 CHI1 101 101 A 14 PHE N A 14 PHE CA A 14 PHE CB A 14 PHE CG 1.0 -330.0 -30.0 CHI1 102 102 A 14 PHE N A 14 PHE CA A 14 PHE CB A 14 PHE CG 1.0 -210.0 90.0 CHI1 103 103 A 15 PHE N A 15 PHE CA A 15 PHE CB A 15 PHE CG 1.0 -90.0 210.0 CHI1 104 104 A 15 PHE N A 15 PHE CA A 15 PHE CB A 15 PHE CG 1.0 -330.0 -30.0 CHI1 105 105 A 15 PHE N A 15 PHE CA A 15 PHE CB A 15 PHE CG 1.0 -210.0 90.0 CHI1 stop_ save_