data_nef_c25191_2mty 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 2MTY BMRB 25200 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly 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 VAL start . . 2 A 2 ILE middle . . 3 A 3 LYS middle . . 4 A 4 HIS middle . . 5 A 5 ASN middle . . 6 A 6 ARG middle . . 7 A 7 PHE middle . . 8 A 8 LEU middle . . 9 A 9 SER middle . . 10 A 10 GLU middle . . 11 A 11 TYR middle . . 12 A 12 GLN middle . . 13 A 13 SER middle . . 14 A 14 ASN middle . . 15 A 15 PHE middle . . 16 A 16 LEU middle . . 17 A 17 GLY middle . false 18 A 18 GLY middle . false 19 A 19 GLY middle . false 20 A 20 TYR 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 VAL H1 H 1 8.000 0.02 A 1 VAL HA H 1 3.850 0.02 A 1 VAL HB H 1 1.960 0.02 A 1 VAL HGx% H 1 0.910 0.02 A 1 VAL HGy% H 1 0.870 0.02 A 2 ILE H H 1 7.850 0.02 A 2 ILE HA H 1 4.000 0.02 A 2 ILE HB H 1 1.800 0.02 A 2 ILE HG12 H 1 0.800 0.02 A 2 ILE HG13 H 1 0.800 0.02 A 2 ILE HG2% H 1 0.800 0.02 A 3 LYS H H 1 7.950 0.02 A 3 LYS HA H 1 4.100 0.02 A 3 LYS HB2 H 1 1.710 0.02 A 3 LYS HB3 H 1 1.710 0.02 A 3 LYS HD2 H 1 1.660 0.02 A 3 LYS HD3 H 1 1.660 0.02 A 3 LYS HE2 H 1 3.020 0.02 A 3 LYS HE3 H 1 3.020 0.02 A 3 LYS HG2 H 1 1.390 0.02 A 3 LYS HG3 H 1 1.390 0.02 A 4 HIS H H 1 8.160 0.02 A 4 HIS HA H 1 4.230 0.02 A 4 HIS HBy H 1 2.960 0.02 A 4 HIS HBx H 1 2.770 0.02 A 4 HIS HD2 H 1 7.150 0.02 A 4 HIS HE2 H 1 8.260 0.02 A 5 ASN H H 1 8.000 0.02 A 5 ASN HA H 1 4.480 0.02 A 5 ASN HB2 H 1 2.540 0.02 A 5 ASN HB3 H 1 2.540 0.02 A 5 ASN HD2y H 1 7.500 0.02 A 5 ASN HD2x H 1 6.800 0.02 A 6 ARG H H 1 8.410 0.02 A 6 ARG HA H 1 4.080 0.02 A 6 ARG HB2 H 1 1.720 0.02 A 6 ARG HB3 H 1 1.720 0.02 A 6 ARG HD2 H 1 3.200 0.02 A 6 ARG HD3 H 1 3.200 0.02 A 6 ARG HG2 H 1 1.450 0.02 A 6 ARG HG3 H 1 1.450 0.02 A 6 ARG HH11 H 1 7.180 0.02 A 6 ARG HH12 H 1 7.180 0.02 A 7 PHE H H 1 8.270 0.02 A 7 PHE HA H 1 4.520 0.02 A 7 PHE HBy H 1 3.250 0.02 A 7 PHE HBx H 1 3.130 0.02 A 7 PHE HDy H 1 7.310 0.02 A 7 PHE HDx H 1 7.220 0.02 A 7 PHE HE1 H 1 7.310 0.02 A 7 PHE HE2 H 1 7.310 0.02 A 8 LEU H H 1 7.900 0.02 A 8 LEU HA H 1 4.200 0.02 A 8 LEU HBy H 1 1.650 0.02 A 8 LEU HBx H 1 1.500 0.02 A 8 LEU HD1% H 1 0.800 0.02 A 8 LEU HD2% H 1 0.800 0.02 A 8 LEU HG H 1 1.700 0.02 A 9 SER H H 1 8.080 0.02 A 9 SER HA H 1 4.250 0.02 A 9 SER HBy H 1 3.980 0.02 A 9 SER HBx H 1 3.950 0.02 A 10 GLU H H 1 8.090 0.02 A 10 GLU HA H 1 4.100 0.02 A 10 GLU HBy H 1 2.360 0.02 A 10 GLU HBx H 1 2.260 0.02 A 10 GLU HG2 H 1 2.050 0.02 A 10 GLU HG3 H 1 2.050 0.02 A 11 TYR H H 1 7.970 0.02 A 11 TYR HA H 1 4.390 0.02 A 11 TYR HBy H 1 3.030 0.02 A 11 TYR HBx H 1 2.880 0.02 A 11 TYR HD1 H 1 7.200 0.02 A 11 TYR HD2 H 1 7.200 0.02 A 11 TYR HE1 H 1 7.300 0.02 A 11 TYR HE2 H 1 7.300 0.02 A 12 GLN H H 1 8.180 0.02 A 12 GLN HA H 1 4.060 0.02 A 12 GLN HBy H 1 2.380 0.02 A 12 GLN HBx H 1 2.290 0.02 A 12 GLN HE2y H 1 7.480 0.02 A 12 GLN HE2x H 1 6.650 0.02 A 12 GLN HG2 H 1 2.070 0.02 A 12 GLN HG3 H 1 2.070 0.02 A 13 SER H H 1 8.040 0.02 A 13 SER HA H 1 4.180 0.02 A 13 SER HBy H 1 3.950 0.02 A 13 SER HBx H 1 3.890 0.02 A 14 ASN H H 1 8.350 0.02 A 14 ASN HA H 1 4.550 0.02 A 14 ASN HB2 H 1 2.770 0.02 A 14 ASN HB3 H 1 2.770 0.02 A 14 ASN HD2y H 1 7.510 0.02 A 14 ASN HD2x H 1 6.920 0.02 A 15 PHE H H 1 8.090 0.02 A 15 PHE HA H 1 4.380 0.02 A 15 PHE HBy H 1 3.120 0.02 A 15 PHE HBx H 1 3.070 0.02 A 15 PHE HDy H 1 7.300 0.02 A 15 PHE HDx H 1 7.120 0.02 A 15 PHE HE1 H 1 7.300 0.02 A 15 PHE HE2 H 1 7.300 0.02 A 16 LEU H H 1 8.010 0.02 A 16 LEU HA H 1 3.900 0.02 A 16 LEU HB2 H 1 1.750 0.02 A 16 LEU HB3 H 1 1.750 0.02 A 16 LEU HD1% H 1 0.720 0.02 A 16 LEU HD2% H 1 0.720 0.02 A 16 LEU HG H 1 1.640 0.02 A 17 GLY H H 1 8.130 0.02 A 17 GLY HA2 H 1 3.800 0.02 A 17 GLY HA3 H 1 3.800 0.02 A 18 GLY H H 1 8.130 0.02 A 18 GLY HA2 H 1 3.760 0.02 A 18 GLY HA3 H 1 3.760 0.02 A 19 GLY H H 1 7.900 0.02 A 19 GLY HA2 H 1 3.850 0.02 A 19 GLY HA3 H 1 3.850 0.02 A 20 TYR H H 1 7.840 0.02 A 20 TYR HA H 1 4.500 0.02 A 20 TYR HBy H 1 2.990 0.02 A 20 TYR HBx H 1 2.810 0.02 A 20 TYR HD1 H 1 7.230 0.02 A 20 TYR HD2 H 1 7.230 0.02 A 20 TYR HE1 H 1 7.330 0.02 A 20 TYR HE2 H 1 7.330 0.02 stop_ save_ save_Discover_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode Discover_distance_constraints_5 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 ILE H A 2 ILE HA 1.0 1.8 2.8 2 2 A 3 LYS H A 3 LYS HA 1.0 1.8 2.8 3 3 A 4 HIS H A 4 HIS HA 1.0 1.8 2.8 4 4 A 5 ASN H A 5 ASN HA 1.0 1.8 2.8 5 5 A 6 ARG H A 6 ARG HA 1.0 1.8 2.8 6 6 A 7 PHE H A 7 PHE HA 1.0 1.8 2.8 7 7 A 8 LEU H A 8 LEU HA 1.0 1.8 2.8 8 8 A 9 SER H A 9 SER HA 1.0 1.8 2.8 9 9 A 10 GLU H A 10 GLU HA 1.0 1.8 2.8 10 10 A 11 TYR H A 11 TYR HA 1.0 1.8 2.8 11 11 A 12 GLN H A 12 GLN HA 1.0 1.8 2.8 12 12 A 13 SER H A 13 SER HA 1.0 1.8 2.8 13 13 A 14 ASN H A 14 ASN HA 1.0 1.8 2.8 14 14 A 15 PHE H A 15 PHE HA 1.0 1.8 2.8 15 15 A 16 LEU H A 16 LEU HA 1.0 1.8 2.8 16 16 A 17 GLY H A 17 GLY HA2 1.0 1.8 3.8 17 16 A 17 GLY H A 17 GLY HA3 1.0 1.8 3.8 18 17 A 18 GLY H A 18 GLY HA2 1.0 1.8 3.8 19 17 A 18 GLY H A 18 GLY HA3 1.0 1.8 3.8 20 18 A 19 GLY H A 19 GLY HA2 1.0 1.8 3.8 21 18 A 19 GLY H A 19 GLY HA3 1.0 1.8 3.8 22 19 A 20 TYR H A 20 TYR HA 1.0 1.8 2.8 23 20 A 2 ILE H A 1 VAL HA 1.0 1.8 2.8 24 21 A 2 ILE HA A 3 LYS H 1.0 2.8 3.5 25 22 A 3 LYS HA A 4 HIS H 1.0 2.8 3.5 26 23 A 4 HIS HA A 5 ASN H 1.0 2.8 3.5 27 24 A 5 ASN HA A 6 ARG H 1.0 1.8 2.8 28 25 A 6 ARG HA A 7 PHE H 1.0 1.8 2.8 29 26 A 7 PHE HA A 8 LEU H 1.0 2.8 3.5 30 27 A 8 LEU HA A 9 SER H 1.0 2.8 3.5 31 28 A 9 SER HA A 10 GLU H 1.0 2.8 3.5 32 29 A 10 GLU HA A 11 TYR H 1.0 1.8 2.8 33 30 A 11 TYR HA A 12 GLN H 1.0 1.8 2.8 34 31 A 12 GLN HA A 13 SER H 1.0 2.8 3.5 35 32 A 13 SER HA A 14 ASN H 1.0 2.8 3.5 36 33 A 14 ASN HA A 15 PHE H 1.0 2.8 3.5 37 34 A 15 PHE HA A 16 LEU H 1.0 1.8 2.8 38 35 A 16 LEU HA A 17 GLY H 1.0 1.8 2.8 39 36 A 18 GLY H A 17 GLY HA2 1.0 1.8 3.8 40 36 A 17 GLY HA3 A 18 GLY H 1.0 1.8 3.8 41 37 A 19 GLY H A 18 GLY HA2 1.0 1.8 3.8 42 37 A 18 GLY HA3 A 19 GLY H 1.0 1.8 3.8 43 38 A 20 TYR H A 19 GLY HA2 1.0 1.8 3.8 44 38 A 19 GLY HA3 A 20 TYR H 1.0 1.8 3.8 45 39 A 1 VAL HA A 1 VAL HB 1.0 1.8 2.8 46 40 A 1 VAL HA A 1 VAL HGx% 1.0 1.8 3.8 47 41 A 1 VAL HA A 1 VAL HGy% 1.0 1.8 3.8 48 42 A 1 VAL HB A 1 VAL HGx% 1.0 1.8 3.8 49 43 A 1 VAL HB A 1 VAL HGy% 1.0 1.8 3.8 50 44 A 1 VAL HGx% A 1 VAL HGy% 1.0 1.8 4.8 51 45 A 2 ILE H A 2 ILE HB 1.0 1.8 2.8 52 46 A 2 ILE H A 2 ILE HG12 1.0 1.8 2.8 53 47 A 2 ILE H A 2 ILE HG13 1.0 1.8 2.8 54 48 A 2 ILE H A 2 ILE HD11 1.0 2.8 4.5 55 49 A 2 ILE HA A 2 ILE HB 1.0 1.8 2.8 56 50 A 2 ILE HA A 2 ILE HG12 1.0 1.8 2.8 57 51 A 2 ILE HA A 2 ILE HG13 1.0 1.8 2.8 58 52 A 2 ILE HA A 2 ILE HD11 1.0 2.8 4.5 59 53 A 2 ILE HB A 2 ILE HG12 1.0 1.8 2.8 60 54 A 2 ILE HB A 2 ILE HG13 1.0 1.8 2.8 61 55 A 2 ILE HB A 2 ILE HD11 1.0 1.8 3.8 62 56 A 2 ILE HG12 A 2 ILE HG13 1.0 1.8 2.8 63 57 A 2 ILE HG12 A 2 ILE HD11 1.0 1.8 3.8 64 58 A 2 ILE HG13 A 2 ILE HD11 1.0 1.8 3.8 65 59 A 3 LYS HA A 3 LYS HB2 1.0 1.8 2.8 66 60 A 3 LYS HA A 3 LYS HB3 1.0 1.8 2.8 67 61 A 3 LYS HB2 A 3 LYS HB3 1.0 1.8 2.8 68 62 A 3 LYS HA A 3 LYS HD2 1.0 1.8 3.8 69 62 A 3 LYS HA A 3 LYS HD3 1.0 1.8 3.8 70 63 A 3 LYS HA A 3 LYS HG2 1.0 1.8 2.8 71 64 A 3 LYS HA A 3 LYS HG3 1.0 1.8 2.8 72 65 A 3 LYS HB2 A 3 LYS HD2 1.0 1.8 3.8 73 65 A 3 LYS HB2 A 3 LYS HD3 1.0 1.8 3.8 74 66 A 3 LYS HB2 A 3 LYS HG2 1.0 1.8 2.8 75 67 A 3 LYS HB2 A 3 LYS HG3 1.0 1.8 2.8 76 68 A 3 LYS HG2 A 3 LYS HD2 1.0 1.8 3.8 77 68 A 3 LYS HD3 A 3 LYS HG2 1.0 1.8 3.8 78 69 A 3 LYS HG3 A 3 LYS HD2 1.0 1.8 3.8 79 69 A 3 LYS HD3 A 3 LYS HG3 1.0 1.8 3.8 80 70 A 3 LYS HG2 A 3 LYS HG3 1.0 1.8 2.8 81 71 A 4 HIS H A 4 HIS HBy 1.0 1.8 2.8 82 72 A 4 HIS H A 4 HIS HBx 1.0 2.8 3.5 83 73 A 4 HIS H A 4 HIS HD2 1.0 1.8 3.8 84 74 A 4 HIS HA A 4 HIS HBy 1.0 1.8 2.8 85 75 A 4 HIS HA A 4 HIS HBx 1.0 1.8 2.8 86 76 A 4 HIS HA A 4 HIS HD2 1.0 1.8 3.8 87 77 A 5 ASN HA A 5 ASN HD2y 1.0 2.8 3.5 88 78 A 5 ASN HA A 5 ASN HD2x 1.0 3.5 5.0 89 79 A 5 ASN HD2y A 5 ASN HB2 1.0 2.8 4.5 90 79 A 5 ASN HD2y A 5 ASN HB3 1.0 2.8 4.5 91 80 A 5 ASN HD2x A 5 ASN HB2 1.0 1.8 3.8 92 80 A 5 ASN HD2x A 5 ASN HB3 1.0 1.8 3.8 93 81 A 6 ARG H A 6 ARG HB2 1.0 2.8 4.5 94 81 A 6 ARG H A 6 ARG HB3 1.0 2.8 4.5 95 82 A 6 ARG H A 6 ARG HG2 1.0 1.8 3.8 96 82 A 6 ARG H A 6 ARG HG3 1.0 1.8 3.8 97 83 A 6 ARG H A 6 ARG HD2 1.0 1.8 3.8 98 83 A 6 ARG H A 6 ARG HD3 1.0 1.8 3.8 99 84 A 6 ARG HA A 6 ARG HD2 1.0 2.8 4.5 100 84 A 6 ARG HA A 6 ARG HD3 1.0 2.8 4.5 101 85 A 6 ARG HA A 6 ARG HB2 1.0 2.8 4.5 102 85 A 6 ARG HA A 6 ARG HB3 1.0 2.8 4.5 103 86 A 6 ARG HA A 6 ARG HG2 1.0 2.8 4.5 104 86 A 6 ARG HA A 6 ARG HG3 1.0 2.8 4.5 105 87 A 6 ARG HB2 A 6 ARG HD2 1.0 2.8 5.5 106 87 A 6 ARG HB3 A 6 ARG HD2 1.0 2.8 5.5 107 87 A 6 ARG HD3 A 6 ARG HB2 1.0 2.8 5.5 108 87 A 6 ARG HB3 A 6 ARG HD3 1.0 2.8 5.5 109 88 A 6 ARG HD2 A 6 ARG HG2 1.0 2.8 5.5 110 88 A 6 ARG HD3 A 6 ARG HG2 1.0 2.8 5.5 111 88 A 6 ARG HG3 A 6 ARG HD2 1.0 2.8 5.5 112 88 A 6 ARG HG3 A 6 ARG HD3 1.0 2.8 5.5 113 89 A 6 ARG HB2 A 6 ARG HG2 1.0 2.8 5.5 114 89 A 6 ARG HB3 A 6 ARG HG2 1.0 2.8 5.5 115 89 A 6 ARG HG3 A 6 ARG HB2 1.0 2.8 5.5 116 89 A 6 ARG HB3 A 6 ARG HG3 1.0 2.8 5.5 117 90 A 6 ARG HG2 A 6 ARG HH1% 1.0 1.8 6.2 118 90 A 6 ARG HG3 A 6 ARG HH1% 1.0 1.8 6.2 119 90 A 6 ARG HH2% A 6 ARG HG2 1.0 1.8 6.2 120 90 A 6 ARG HG3 A 6 ARG HH2% 1.0 1.8 6.2 121 91 A 6 ARG HD2 A 6 ARG HH1% 1.0 1.8 6.2 122 91 A 6 ARG HD3 A 6 ARG HH1% 1.0 1.8 6.2 123 91 A 6 ARG HH2% A 6 ARG HD2 1.0 1.8 6.2 124 91 A 6 ARG HD3 A 6 ARG HH2% 1.0 1.8 6.2 125 92 A 7 PHE H A 7 PHE HBy 1.0 1.8 2.8 126 93 A 7 PHE H A 7 PHE HBx 1.0 1.8 2.8 127 94 A 7 PHE HA A 7 PHE HBy 1.0 1.8 2.8 128 95 A 7 PHE HA A 7 PHE HBx 1.0 1.8 2.8 129 96 A 7 PHE HBy A 7 PHE HBx 1.0 1.8 2.8 130 97 A 7 PHE HBy A 7 PHE HE% 1.0 1.8 4.8 131 98 A 7 PHE HBx A 7 PHE HE% 1.0 1.8 4.8 132 99 A 8 LEU H A 8 LEU HBy 1.0 1.8 3.8 133 99 A 8 LEU H A 8 LEU HBx 1.0 1.8 3.8 134 100 A 8 LEU H A 8 LEU HG 1.0 2.8 3.5 135 101 A 8 LEU H A 8 LEU HD1% 1.0 2.8 4.5 136 102 A 8 LEU H A 8 LEU HD2% 1.0 2.8 4.5 137 103 A 8 LEU HA A 8 LEU HBy 1.0 1.8 3.8 138 103 A 8 LEU HA A 8 LEU HBx 1.0 1.8 3.8 139 104 A 8 LEU HA A 8 LEU HG 1.0 2.8 3.5 140 105 A 8 LEU HA A 8 LEU HD1% 1.0 2.8 4.5 141 106 A 8 LEU HA A 8 LEU HD2% 1.0 2.8 4.5 142 107 A 8 LEU HG A 8 LEU HBy 1.0 2.8 4.5 143 107 A 8 LEU HBx A 8 LEU HG 1.0 2.8 4.5 144 108 A 8 LEU HD1% A 8 LEU HBy 1.0 2.8 5.5 145 108 A 8 LEU HBx A 8 LEU HD1% 1.0 2.8 5.5 146 109 A 8 LEU HD2% A 8 LEU HBy 1.0 1.8 4.8 147 109 A 8 LEU HBx A 8 LEU HD2% 1.0 1.8 4.8 148 110 A 8 LEU HG A 8 LEU HD1% 1.0 1.8 3.8 149 111 A 8 LEU HG A 8 LEU HD2% 1.0 1.8 3.8 150 112 A 8 LEU HD1% A 8 LEU HD2% 1.0 1.8 4.8 151 113 A 9 SER HA A 9 SER HBy 1.0 1.8 2.8 152 114 A 9 SER HA A 9 SER HBx 1.0 1.8 2.8 153 115 A 9 SER HBy A 9 SER HBx 1.0 1.8 2.8 154 116 A 9 SER H A 9 SER HBy 1.0 1.8 2.8 155 117 A 9 SER H A 9 SER HBx 1.0 2.8 3.8 156 118 A 10 GLU H A 10 GLU HG2 1.0 2.8 3.8 157 118 A 10 GLU H A 10 GLU HG3 1.0 2.8 3.8 158 119 A 10 GLU H A 10 GLU HBy 1.0 2.8 3.5 159 120 A 10 GLU H A 10 GLU HBx 1.0 2.8 3.5 160 121 A 10 GLU HA A 10 GLU HBy 1.0 2.8 3.5 161 122 A 10 GLU HA A 10 GLU HBx 1.0 2.8 3.5 162 123 A 10 GLU HA A 10 GLU HG2 1.0 3.5 4.5 163 123 A 10 GLU HA A 10 GLU HG3 1.0 3.5 4.5 164 124 A 11 TYR HA A 11 TYR HD% 1.0 1.8 4.8 165 125 A 11 TYR HA A 11 TYR HE% 1.0 2.8 5.5 166 126 A 11 TYR HA A 11 TYR HBy 1.0 1.8 3.8 167 126 A 11 TYR HA A 11 TYR HBx 1.0 1.8 3.8 168 127 A 12 GLN H A 12 GLN HBy 1.0 1.8 2.8 169 128 A 12 GLN H A 12 GLN HBx 1.0 2.8 4.5 170 129 A 12 GLN H A 12 GLN HG2 1.0 2.8 4.5 171 129 A 12 GLN H A 12 GLN HG3 1.0 2.8 4.5 172 130 A 12 GLN HA A 12 GLN HBy 1.0 1.8 2.8 173 131 A 12 GLN HA A 12 GLN HBx 1.0 1.8 2.8 174 132 A 12 GLN HA A 12 GLN HG2 1.0 1.8 3.8 175 132 A 12 GLN HA A 12 GLN HG3 1.0 1.8 3.8 176 133 A 12 GLN HBy A 12 GLN HBx 1.0 1.8 2.8 177 134 A 12 GLN HBx A 12 GLN HG2 1.0 1.8 3.8 178 134 A 12 GLN HBx A 12 GLN HG3 1.0 1.8 3.8 179 135 A 12 GLN HBy A 12 GLN HG2 1.0 1.8 3.8 180 135 A 12 GLN HBy A 12 GLN HG3 1.0 1.8 3.8 181 136 A 13 SER H A 13 SER HBy 1.0 1.8 2.8 182 137 A 13 SER H A 13 SER HBx 1.0 2.8 4.5 183 138 A 13 SER HA A 13 SER HBy 1.0 1.8 2.8 184 139 A 13 SER HA A 13 SER HBx 1.0 1.8 2.8 185 140 A 14 ASN HA A 14 ASN HD2y 1.0 2.8 3.5 186 141 A 14 ASN HA A 14 ASN HD2x 1.0 3.5 5.0 187 142 A 14 ASN HD2y A 14 ASN HB2 1.0 2.8 4.5 188 142 A 14 ASN HD2y A 14 ASN HB3 1.0 2.8 4.5 189 143 A 14 ASN HD2x A 14 ASN HB2 1.0 1.8 3.8 190 143 A 14 ASN HD2x A 14 ASN HB3 1.0 1.8 3.8 191 144 A 15 PHE H A 15 PHE HBy 1.0 1.8 2.8 192 145 A 15 PHE H A 15 PHE HBx 1.0 2.8 4.5 193 146 A 15 PHE HA A 15 PHE HBy 1.0 1.8 2.8 194 147 A 15 PHE HA A 15 PHE HBx 1.0 1.8 2.8 195 148 A 16 LEU H A 16 LEU HB2 1.0 1.8 3.8 196 148 A 16 LEU H A 16 LEU HB3 1.0 1.8 3.8 197 149 A 16 LEU H A 16 LEU HG 1.0 2.8 3.5 198 150 A 16 LEU H A 16 LEU HD1% 1.0 2.8 4.5 199 151 A 16 LEU H A 16 LEU HD2% 1.0 2.8 4.5 200 152 A 16 LEU HA A 16 LEU HB2 1.0 1.8 3.8 201 152 A 16 LEU HA A 16 LEU HB3 1.0 1.8 3.8 202 153 A 16 LEU HA A 16 LEU HG 1.0 2.8 3.5 203 154 A 16 LEU HA A 16 LEU HD1% 1.0 2.8 4.5 204 155 A 16 LEU HA A 16 LEU HD2% 1.0 2.8 4.5 205 156 A 16 LEU HG A 16 LEU HB2 1.0 2.8 4.5 206 156 A 16 LEU HB3 A 16 LEU HG 1.0 2.8 4.5 207 157 A 16 LEU HD1% A 16 LEU HB2 1.0 2.8 5.5 208 157 A 16 LEU HB3 A 16 LEU HD1% 1.0 2.8 5.5 209 158 A 16 LEU HD2% A 16 LEU HB2 1.0 1.8 4.8 210 158 A 16 LEU HB3 A 16 LEU HD2% 1.0 1.8 4.8 211 159 A 16 LEU HG A 16 LEU HD1% 1.0 1.8 3.8 212 160 A 16 LEU HG A 16 LEU HD2% 1.0 1.8 3.8 213 161 A 16 LEU HD1% A 16 LEU HD2% 1.0 1.8 4.8 214 162 A 20 TYR HA A 20 TYR HD% 1.0 1.8 4.8 215 163 A 20 TYR HA A 20 TYR HE% 1.0 2.8 5.5 216 164 A 20 TYR HA A 20 TYR HBy 1.0 1.8 3.8 217 164 A 20 TYR HA A 20 TYR HBx 1.0 1.8 3.8 218 165 A 2 ILE H A 3 LYS H 1.0 1.8 2.8 219 166 A 3 LYS H A 4 HIS H 1.0 1.8 2.8 220 167 A 4 HIS H A 5 ASN H 1.0 1.8 2.8 221 168 A 5 ASN H A 6 ARG H 1.0 1.8 2.8 222 169 A 6 ARG H A 7 PHE H 1.0 1.8 2.8 223 170 A 7 PHE H A 8 LEU H 1.0 1.8 2.8 224 171 A 8 LEU H A 9 SER H 1.0 1.8 2.8 225 172 A 9 SER H A 10 GLU H 1.0 1.8 2.8 226 173 A 10 GLU H A 11 TYR H 1.0 1.8 2.8 227 174 A 11 TYR H A 12 GLN H 1.0 1.8 2.8 228 175 A 12 GLN H A 13 SER H 1.0 1.8 2.8 229 176 A 13 SER H A 14 ASN H 1.0 1.8 2.8 230 177 A 14 ASN H A 15 PHE H 1.0 1.8 2.8 231 178 A 15 PHE H A 16 LEU H 1.0 2.8 4.5 232 179 A 16 LEU H A 17 GLY H 1.0 2.8 4.5 233 180 A 17 GLY H A 18 GLY H 1.0 2.8 4.5 234 181 A 18 GLY H A 19 GLY H 1.0 2.8 4.5 235 182 A 19 GLY H A 20 TYR H 1.0 2.8 4.5 236 183 A 3 LYS H A 2 ILE HB 1.0 2.8 4.5 237 184 A 6 ARG H A 5 ASN HB2 1.0 2.8 4.5 238 184 A 6 ARG H A 5 ASN HB3 1.0 2.8 4.5 239 185 A 16 LEU H A 15 PHE HBy 1.0 2.8 4.5 240 186 A 16 LEU H A 15 PHE HBx 1.0 2.8 4.5 241 187 A 17 GLY H A 16 LEU HB2 1.0 2.8 4.5 242 187 A 17 GLY H A 16 LEU HB3 1.0 2.8 4.5 243 188 A 7 PHE H A 6 ARG HB2 1.0 2.8 4.5 244 188 A 7 PHE H A 6 ARG HB3 1.0 2.8 4.5 245 189 A 13 SER H A 12 GLN HBy 1.0 2.8 4.5 246 190 A 13 SER H A 12 GLN HBx 1.0 2.8 4.5 247 191 A 5 ASN H A 4 HIS HBy 1.0 2.8 4.5 248 192 A 5 ASN H A 4 HIS HBx 1.0 2.8 4.5 249 193 A 2 ILE HA A 5 ASN H 1.0 2.8 4.5 250 194 A 9 SER HA A 12 GLN H 1.0 2.8 4.5 251 195 A 10 GLU HA A 13 SER H 1.0 2.8 4.5 252 196 A 11 TYR HA A 14 ASN H 1.0 2.8 4.5 253 197 A 12 GLN HA A 15 PHE H 1.0 2.8 4.5 254 198 A 13 SER HA A 16 LEU H 1.0 3.5 5.0 255 199 A 14 ASN HA A 17 GLY H 1.0 2.8 4.5 256 200 A 9 SER HA A 12 GLN HBy 1.0 2.8 4.5 257 201 A 9 SER HA A 12 GLN HBx 1.0 2.8 4.5 258 202 A 7 PHE HA A 9 SER H 1.0 2.8 4.5 259 203 A 9 SER HA A 11 TYR H 1.0 2.8 4.5 260 204 A 10 GLU HA A 12 GLN H 1.0 2.8 4.5 261 205 A 13 SER HA A 15 PHE H 1.0 2.8 4.5 262 206 A 12 GLN HA A 9 SER HBy 1.0 2.8 4.5 263 207 A 12 GLN HA A 9 SER HBx 1.0 1.8 2.8 264 208 A 11 TYR HA A 8 LEU HBy 1.0 1.8 3.8 265 208 A 11 TYR HA A 8 LEU HBx 1.0 1.8 3.8 stop_ save_ save_Discover_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode Discover_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 15 PHE H A 11 TYR O 1.0 1.8 2.5 2 2 A 13 SER H A 9 SER O 1.0 1.8 2.5 stop_ save_ save_Discover_dihedral_6 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode Discover_dihedral_6 _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 2 ILE CA A 2 ILE C A 3 LYS N A 3 LYS CA 1.0 178.0 180.0 OMEGA 2 2 A 3 LYS CA A 3 LYS C A 4 HIS N A 4 HIS CA 1.0 178.0 180.0 OMEGA 3 3 A 4 HIS CA A 4 HIS C A 5 ASN N A 5 ASN CA 1.0 178.0 180.0 OMEGA 4 4 A 5 ASN CA A 5 ASN C A 6 ARG N A 6 ARG CA 1.0 178.0 180.0 OMEGA 5 5 A 6 ARG CA A 6 ARG C A 7 PHE N A 7 PHE CA 1.0 178.0 180.0 OMEGA 6 6 A 7 PHE CA A 7 PHE C A 8 LEU N A 8 LEU CA 1.0 178.0 180.0 OMEGA 7 7 A 8 LEU CA A 8 LEU C A 9 SER N A 9 SER CA 1.0 178.0 180.0 OMEGA 8 8 A 9 SER CA A 9 SER C A 10 GLU N A 10 GLU CA 1.0 178.0 180.0 OMEGA 9 9 A 10 GLU CA A 10 GLU C A 11 TYR N A 11 TYR CA 1.0 178.0 180.0 OMEGA 10 10 A 11 TYR CA A 11 TYR C A 12 GLN N A 12 GLN CA 1.0 178.0 180.0 OMEGA 11 11 A 12 GLN CA A 12 GLN C A 13 SER N A 13 SER CA 1.0 178.0 180.0 OMEGA 12 12 A 13 SER CA A 13 SER C A 14 ASN N A 14 ASN CA 1.0 178.0 180.0 OMEGA 13 13 A 14 ASN CA A 14 ASN C A 15 PHE N A 15 PHE CA 1.0 178.0 180.0 OMEGA 14 14 A 15 PHE CA A 15 PHE C A 16 LEU N A 16 LEU CA 1.0 178.0 180.0 OMEGA 15 15 A 16 LEU CA A 16 LEU C A 17 GLY N A 17 GLY CA 1.0 178.0 180.0 OMEGA 16 16 A 17 GLY CA A 17 GLY C A 18 GLY N A 18 GLY CA 1.0 178.0 180.0 OMEGA 17 17 A 18 GLY CA A 18 GLY C A 19 GLY N A 19 GLY CA 1.0 178.0 180.0 OMEGA 18 18 A 19 GLY CA A 19 GLY C A 20 TYR N A 20 TYR CA 1.0 178.0 180.0 OMEGA stop_ save_