data_nef_c15774_2k3m 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 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 54 CYS SG 2 1 MTN S1 1 72 CYS SG 2 2 MTN S1 1 126 CYS SG 2 3 MTN S1 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 -23 MET start . . 2 A -22 HIS middle . . 3 A -21 HIS middle . . 4 A -20 HIS middle . . 5 A -19 HIS middle . . 6 A -18 HIS middle . . 7 A -17 HIS middle . . 8 A -16 SER middle . . 9 A -15 SER middle . . 10 A -14 GLY middle . false 11 A -13 VAL middle . . 12 A -12 ASP middle . . 13 A -11 LEU middle . . 14 A -10 GLY middle . false 15 A -9 THR middle . . 16 A -8 GLU middle . . 17 A -7 ASN middle . . 18 A -6 LEU middle . . 19 A -5 TYR middle . . 20 A -4 PHE middle . . 21 A -3 GLN middle . . 22 A -2 SER middle . . 23 A -1 ASN middle . . 24 A 0 ALA middle . . 25 A 1 MET middle . . 26 A 2 SER middle . . 27 A 3 ASP middle . . 28 A 4 PHE middle . . 29 A 5 ASP middle . . 30 A 6 THR middle . . 31 A 7 GLU middle . . 32 A 8 ARG middle . . 33 A 9 VAL middle . . 34 A 10 SER middle . . 35 A 11 ARG middle . . 36 A 12 ALA middle . . 37 A 13 VAL middle . . 38 A 14 ALA middle . . 39 A 15 ALA middle . . 40 A 16 ALA middle . . 41 A 17 LEU middle . . 42 A 18 VAL middle . . 43 A 19 GLY middle . false 44 A 20 PRO middle . false 45 A 21 GLY middle . false 46 A 22 GLY middle . false 47 A 23 VAL middle . . 48 A 24 ALA middle . . 49 A 25 LEU middle . . 50 A 26 VAL middle . . 51 A 27 VAL middle . . 52 A 28 LYS middle . . 53 A 29 VAL middle . . 54 A 30 CYS middle -HG . 55 A 31 ALA middle . . 56 A 32 GLY middle . false 57 A 33 LEU middle . . 58 A 34 PRO middle . false 59 A 35 GLY middle . false 60 A 36 VAL middle . . 61 A 37 ILE middle . . 62 A 38 HIS middle . . 63 A 39 THR middle . . 64 A 40 PRO middle . false 65 A 41 ALA middle . . 66 A 42 ARG middle . . 67 A 43 ARG middle . . 68 A 44 GLY middle . false 69 A 45 PHE middle . . 70 A 46 PHE middle . . 71 A 47 ARG middle . . 72 A 48 CYS middle -HG . 73 A 49 ASN middle . . 74 A 50 PRO middle . false 75 A 51 GLU middle . . 76 A 52 ARG middle . . 77 A 53 ILE middle . . 78 A 54 GLN middle . . 79 A 55 ILE middle . . 80 A 56 GLY middle . false 81 A 57 ASP middle . . 82 A 58 TRP middle . . 83 A 59 ARG middle . . 84 A 60 TYR middle . . 85 A 61 GLU middle . . 86 A 62 VAL middle . . 87 A 63 ALA middle . . 88 A 64 HIS middle . . 89 A 65 ASP middle . . 90 A 66 GLY middle . false 91 A 67 ARG middle . . 92 A 68 LEU middle . . 93 A 69 LEU middle . . 94 A 70 ALA middle . . 95 A 71 ALA middle . . 96 A 72 HIS middle . . 97 A 73 MET middle . . 98 A 74 VAL middle . . 99 A 75 ASN middle . . 100 A 76 GLY middle . false 101 A 77 ILE middle . . 102 A 78 VAL middle . . 103 A 79 ILE middle . . 104 A 80 ALA middle . . 105 A 81 GLU middle . . 106 A 82 ASP middle . . 107 A 83 ALA middle . . 108 A 84 LEU middle . . 109 A 85 ILE middle . . 110 A 86 ALA middle . . 111 A 87 GLU middle . . 112 A 88 ALA middle . . 113 A 89 VAL middle . . 114 A 90 GLY middle . false 115 A 91 PRO middle . false 116 A 92 HIS middle . . 117 A 93 LEU middle . . 118 A 94 ALA middle . . 119 A 95 ARG middle . . 120 A 96 ALA middle . . 121 A 97 LEU middle . . 122 A 98 GLY middle . false 123 A 99 GLN middle . . 124 A 100 ILE middle . . 125 A 101 VAL middle . . 126 A 102 CYS middle -HG . 127 A 103 ARG middle . . 128 A 104 TYR middle . . 129 A 105 GLY middle . false 130 A 106 ALA middle . . 131 A 107 THR middle . . 132 A 108 VAL middle . . 133 A 109 ILE middle . . 134 A 110 PRO middle . false 135 A 111 ASN middle . . 136 A 112 ILE middle . . 137 A 113 ASN middle . . 138 A 114 ALA middle . . 139 A 115 ALA middle . . 140 A 116 ILE middle . . 141 A 117 GLU middle . . 142 A 118 VAL middle . . 143 A 119 LEU middle . . 144 A 120 GLY middle . false 145 A 121 THR middle . . 146 A 122 GLY middle . false 147 A 123 THR middle . . 148 A 124 ASP middle . . 149 A 125 TYR middle . . 150 A 126 ARG middle . . 151 A 127 PHE end . . 152 B 1 MTN . . . 153 B 2 MTN . . . 154 B 3 MTN . . . 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 MET H H 1 8.240 0.02 A 1 MET C C 13 177.580 0.30 A 1 MET CA C 13 56.210 0.30 A 1 MET CB C 13 32.410 0.30 A 1 MET N N 15 116.010 0.25 A 2 SER H H 1 8.050 0.02 A 2 SER C C 13 175.590 0.30 A 2 SER CA C 13 59.610 0.30 A 2 SER CB C 13 63.580 0.30 A 2 SER N N 15 114.340 0.25 A 3 ASP H H 1 8.290 0.02 A 3 ASP C C 13 176.140 0.30 A 3 ASP CA C 13 53.960 0.30 A 3 ASP CB C 13 39.260 0.30 A 3 ASP N N 15 119.820 0.25 A 4 PHE H H 1 8.020 0.02 A 4 PHE C C 13 175.480 0.30 A 4 PHE CA C 13 58.100 0.30 A 4 PHE CB C 13 39.550 0.30 A 4 PHE N N 15 119.380 0.25 A 5 ASP H H 1 8.120 0.02 A 5 ASP C C 13 177.140 0.30 A 5 ASP CA C 13 53.300 0.30 A 5 ASP CB C 13 40.020 0.30 A 5 ASP N N 15 121.130 0.25 A 6 THR H H 1 8.470 0.02 A 6 THR C C 13 177.520 0.30 A 6 THR CA C 13 65.220 0.30 A 6 THR CB C 13 68.460 0.30 A 6 THR N N 15 116.230 0.25 A 7 GLU H H 1 8.570 0.02 A 7 GLU C C 13 178.580 0.30 A 7 GLU CA C 13 58.960 0.30 A 7 GLU CB C 13 28.140 0.30 A 7 GLU N N 15 122.710 0.25 A 8 ARG H H 1 8.120 0.02 A 8 ARG C C 13 179.800 0.30 A 8 ARG CA C 13 58.830 0.30 A 8 ARG CB C 13 30.350 0.30 A 8 ARG N N 15 119.090 0.25 A 9 VAL H H 1 8.020 0.02 A 9 VAL C C 13 177.750 0.30 A 9 VAL CA C 13 65.870 0.30 A 9 VAL CB C 13 31.500 0.30 A 9 VAL N N 15 118.150 0.25 A 10 SER H H 1 8.290 0.02 A 10 SER CA C 13 61.880 0.30 A 10 SER N N 15 115.790 0.25 A 11 ARG H H 1 8.300 0.02 A 11 ARG C C 13 179.230 0.30 A 11 ARG CA C 13 59.540 0.30 A 11 ARG N N 15 120.660 0.25 A 12 ALA H H 1 7.900 0.02 A 12 ALA C C 13 181.140 0.30 A 12 ALA CA C 13 54.990 0.30 A 12 ALA CB C 13 18.400 0.30 A 12 ALA N N 15 122.020 0.25 A 13 VAL H H 1 8.290 0.02 A 13 VAL C C 13 178.230 0.30 A 13 VAL CA C 13 66.350 0.30 A 13 VAL CB C 13 31.350 0.30 A 13 VAL N N 15 117.770 0.25 A 14 ALA H H 1 8.210 0.02 A 14 ALA C C 13 180.040 0.30 A 14 ALA CA C 13 55.520 0.30 A 14 ALA CB C 13 18.190 0.30 A 14 ALA N N 15 120.580 0.25 A 15 ALA H H 1 8.080 0.02 A 15 ALA C C 13 180.610 0.30 A 15 ALA CA C 13 54.480 0.30 A 15 ALA CB C 13 18.150 0.30 A 15 ALA N N 15 117.430 0.25 A 16 ALA H H 1 7.800 0.02 A 16 ALA C C 13 179.680 0.30 A 16 ALA CA C 13 53.900 0.30 A 16 ALA CB C 13 18.650 0.30 A 16 ALA N N 15 119.100 0.25 A 17 LEU H H 1 7.900 0.02 A 17 LEU C C 13 177.690 0.30 A 17 LEU CA C 13 56.660 0.30 A 17 LEU CB C 13 42.880 0.30 A 17 LEU N N 15 115.750 0.25 A 18 VAL H H 1 7.640 0.02 A 18 VAL C C 13 177.180 0.30 A 18 VAL CA C 13 62.110 0.30 A 18 VAL CB C 13 31.890 0.30 A 18 VAL N N 15 111.230 0.25 A 19 GLY H H 1 7.890 0.02 A 19 GLY CA C 13 44.840 0.30 A 19 GLY N N 15 109.650 0.25 A 20 PRO C C 13 179.900 0.30 A 20 PRO CA C 13 64.720 0.30 A 20 PRO CB C 13 31.590 0.30 A 21 GLY H H 1 8.940 0.02 A 21 GLY C C 13 176.830 0.30 A 21 GLY CA C 13 46.330 0.30 A 21 GLY N N 15 108.480 0.25 A 22 GLY H H 1 8.190 0.02 A 22 GLY C C 13 176.120 0.30 A 22 GLY CA C 13 47.210 0.30 A 22 GLY N N 15 109.860 0.25 A 23 VAL H H 1 8.210 0.02 A 23 VAL C C 13 177.970 0.30 A 23 VAL CA C 13 66.500 0.30 A 23 VAL CB C 13 31.530 0.30 A 23 VAL N N 15 120.580 0.25 A 24 ALA H H 1 8.070 0.02 A 24 ALA C C 13 181.100 0.30 A 24 ALA CA C 13 54.990 0.30 A 24 ALA CB C 13 18.010 0.30 A 24 ALA N N 15 120.470 0.25 A 25 LEU H H 1 7.780 0.02 A 25 LEU C C 13 179.100 0.30 A 25 LEU CA C 13 58.000 0.30 A 25 LEU CB C 13 41.810 0.30 A 25 LEU N N 15 118.220 0.25 A 26 VAL H H 1 7.990 0.02 A 26 VAL C C 13 178.600 0.30 A 26 VAL CA C 13 66.980 0.30 A 26 VAL CB C 13 31.340 0.30 A 26 VAL N N 15 117.910 0.25 A 27 VAL H H 1 8.270 0.02 A 27 VAL C C 13 178.610 0.30 A 27 VAL CA C 13 66.930 0.30 A 27 VAL CB C 13 31.370 0.30 A 27 VAL N N 15 117.830 0.25 A 28 LYS H H 1 7.840 0.02 A 28 LYS C C 13 180.180 0.30 A 28 LYS CA C 13 59.410 0.30 A 28 LYS CB C 13 32.360 0.30 A 28 LYS N N 15 119.020 0.25 A 29 VAL H H 1 8.190 0.02 A 29 VAL C C 13 178.570 0.30 A 29 VAL CA C 13 66.160 0.30 A 29 VAL CB C 13 31.310 0.30 A 29 VAL N N 15 118.270 0.25 A 30 PHE H H 1 8.340 0.02 A 30 PHE C C 13 178.010 0.30 A 30 PHE CA C 13 60.680 0.30 A 30 PHE CB C 13 38.770 0.30 A 30 PHE N N 15 117.530 0.25 A 31 ALA H H 1 8.250 0.02 A 31 ALA C C 13 179.680 0.30 A 31 ALA CA C 13 54.210 0.30 A 31 ALA CB C 13 18.390 0.30 A 31 ALA N N 15 119.420 0.25 A 33 LEU H H 1 7.880 0.02 A 33 LEU CA C 13 56.760 0.30 A 33 LEU CB C 13 40.820 0.30 A 33 LEU N N 15 121.870 0.25 A 34 PRO C C 13 178.260 0.30 A 34 PRO CA C 13 65.280 0.30 A 34 PRO CB C 13 31.110 0.30 A 35 GLY H H 1 8.210 0.02 A 35 GLY C C 13 176.040 0.30 A 35 GLY CA C 13 46.150 0.30 A 35 GLY N N 15 104.540 0.25 A 36 VAL H H 1 7.930 0.02 A 36 VAL C C 13 176.960 0.30 A 36 VAL CA C 13 63.420 0.30 A 36 VAL CB C 13 32.400 0.30 A 36 VAL N N 15 117.560 0.25 A 37 ILE H H 1 7.770 0.02 A 37 ILE C C 13 176.330 0.30 A 37 ILE CA C 13 61.680 0.30 A 37 ILE CB C 13 38.140 0.30 A 37 ILE N N 15 117.480 0.25 A 38 HIS H H 1 8.240 0.02 A 38 HIS C C 13 175.130 0.30 A 38 HIS CA C 13 55.060 0.30 A 38 HIS CB C 13 28.810 0.30 A 38 HIS N N 15 119.080 0.25 A 39 THR H H 1 8.140 0.02 A 39 THR CA C 13 60.680 0.30 A 39 THR CB C 13 69.190 0.30 A 39 THR N N 15 116.510 0.25 A 40 PRO C C 13 177.630 0.30 A 40 PRO CA C 13 63.720 0.30 A 40 PRO CB C 13 31.660 0.30 A 41 ALA H H 1 8.340 0.02 A 41 ALA C C 13 178.850 0.30 A 41 ALA CA C 13 52.840 0.30 A 41 ALA CB C 13 18.990 0.30 A 41 ALA N N 15 122.640 0.25 A 42 ARG H H 1 8.210 0.02 A 42 ARG C C 13 177.160 0.30 A 42 ARG CA C 13 56.480 0.30 A 42 ARG CB C 13 30.510 0.30 A 42 ARG N N 15 118.870 0.25 A 44 GLY H H 1 8.380 0.02 A 44 GLY C C 13 174.970 0.30 A 44 GLY CA C 13 45.540 0.30 A 44 GLY N N 15 108.580 0.25 A 45 PHE H H 1 8.240 0.02 A 45 PHE C C 13 176.280 0.30 A 45 PHE CA C 13 58.950 0.30 A 45 PHE CB C 13 39.700 0.30 A 45 PHE N N 15 119.970 0.25 A 46 PHE H H 1 8.240 0.02 A 46 PHE C C 13 176.340 0.30 A 46 PHE CA C 13 57.840 0.30 A 46 PHE CB C 13 39.230 0.30 A 46 PHE N N 15 118.100 0.25 A 47 ARG H H 1 8.270 0.02 A 47 ARG CA C 13 56.160 0.30 A 47 ARG CB C 13 30.700 0.30 A 47 ARG N N 15 120.750 0.25 A 48 SER H H 1 8.270 0.02 A 48 SER C C 13 174.640 0.30 A 48 SER CA C 13 58.290 0.30 A 48 SER N N 15 116.120 0.25 A 49 ASN H H 1 8.500 0.02 A 49 ASN CA C 13 51.570 0.30 A 49 ASN CB C 13 38.880 0.30 A 49 ASN N N 15 120.870 0.25 A 50 PRO C C 13 177.700 0.30 A 50 PRO CA C 13 63.710 0.30 A 50 PRO CB C 13 31.790 0.30 A 51 GLU H H 1 8.430 0.02 A 51 GLU CA C 13 56.490 0.30 A 51 GLU CB C 13 29.110 0.30 A 51 GLU N N 15 119.370 0.25 A 52 ARG C C 13 176.910 0.30 A 52 ARG CA C 13 56.180 0.30 A 54 GLN H H 1 8.460 0.02 A 54 GLN C C 13 176.570 0.30 A 54 GLN CA C 13 55.270 0.30 A 54 GLN CB C 13 29.430 0.30 A 54 GLN N N 15 124.800 0.25 A 56 GLY H H 1 8.080 0.02 A 56 GLY C C 13 175.680 0.30 A 56 GLY CA C 13 45.190 0.30 A 56 GLY N N 15 104.280 0.25 A 57 ASP H H 1 8.320 0.02 A 57 ASP C C 13 177.970 0.30 A 57 ASP CA C 13 53.920 0.30 A 57 ASP CB C 13 40.160 0.30 A 57 ASP N N 15 120.900 0.25 A 58 TRP H H 1 8.410 0.02 A 58 TRP C C 13 178.170 0.30 A 58 TRP CA C 13 59.380 0.30 A 58 TRP CB C 13 28.510 0.30 A 58 TRP N N 15 123.300 0.25 A 59 ARG H H 1 7.830 0.02 A 59 ARG CA C 13 59.640 0.30 A 59 ARG CB C 13 29.410 0.30 A 59 ARG N N 15 120.800 0.25 A 60 TYR H H 1 7.770 0.02 A 60 TYR C C 13 178.850 0.30 A 60 TYR CA C 13 60.880 0.30 A 60 TYR CB C 13 38.130 0.30 A 60 TYR N N 15 118.830 0.25 A 61 GLU H H 1 8.210 0.02 A 61 GLU C C 13 179.220 0.30 A 61 GLU CA C 13 58.750 0.30 A 61 GLU CB C 13 28.630 0.30 A 61 GLU N N 15 119.360 0.25 A 62 VAL H H 1 8.430 0.02 A 62 VAL C C 13 177.850 0.30 A 62 VAL CA C 13 66.300 0.30 A 62 VAL CB C 13 31.680 0.30 A 62 VAL N N 15 117.930 0.25 A 63 ALA H H 1 7.900 0.02 A 63 ALA C C 13 179.690 0.30 A 63 ALA CA C 13 54.740 0.30 A 63 ALA CB C 13 18.520 0.30 A 63 ALA N N 15 120.800 0.25 A 64 HIS H H 1 8.340 0.02 A 64 HIS C C 13 176.980 0.30 A 64 HIS CA C 13 58.180 0.30 A 64 HIS CB C 13 28.250 0.30 A 64 HIS N N 15 114.940 0.25 A 65 ASP H H 1 8.610 0.02 A 65 ASP C C 13 178.200 0.30 A 65 ASP CA C 13 55.150 0.30 A 65 ASP CB C 13 38.440 0.30 A 65 ASP N N 15 118.510 0.25 A 67 ARG H H 1 8.250 0.02 A 67 ARG C C 13 177.550 0.30 A 67 ARG CA C 13 56.390 0.30 A 67 ARG CB C 13 30.590 0.30 A 67 ARG N N 15 120.360 0.25 A 68 LEU H H 1 7.780 0.02 A 68 LEU C C 13 180.220 0.30 A 68 LEU CA C 13 57.580 0.30 A 68 LEU CB C 13 41.690 0.30 A 68 LEU N N 15 119.780 0.25 A 71 ALA H H 1 8.300 0.02 A 71 ALA CA C 13 54.890 0.30 A 71 ALA N N 15 122.840 0.25 A 73 MET CA C 13 58.070 0.30 A 74 VAL H H 1 8.110 0.02 A 74 VAL C C 13 180.030 0.30 A 74 VAL CA C 13 65.400 0.30 A 74 VAL N N 15 117.140 0.25 A 75 ASN H H 1 8.090 0.02 A 75 ASN C C 13 177.990 0.30 A 75 ASN CA C 13 55.180 0.30 A 75 ASN CB C 13 38.420 0.30 A 75 ASN N N 15 117.820 0.25 A 76 GLY H H 1 8.400 0.02 A 76 GLY C C 13 175.350 0.30 A 76 GLY CA C 13 46.890 0.30 A 76 GLY N N 15 107.050 0.25 A 77 ILE H H 1 8.110 0.02 A 77 ILE C C 13 176.350 0.30 A 77 ILE CA C 13 61.160 0.30 A 77 ILE CB C 13 38.640 0.30 A 77 ILE N N 15 120.750 0.25 A 78 VAL H H 1 8.030 0.02 A 78 VAL C C 13 178.430 0.30 A 78 VAL CA C 13 65.680 0.30 A 78 VAL CB C 13 31.650 0.30 A 78 VAL N N 15 120.640 0.25 A 79 ILE H H 1 8.330 0.02 A 79 ILE C C 13 177.250 0.30 A 79 ILE CA C 13 61.760 0.30 A 79 ILE CB C 13 38.550 0.30 A 79 ILE N N 15 121.610 0.25 A 80 ALA H H 1 8.200 0.02 A 80 ALA C C 13 180.360 0.30 A 80 ALA CA C 13 54.730 0.30 A 80 ALA CB C 13 18.470 0.30 A 80 ALA N N 15 122.660 0.25 A 81 GLU H H 1 8.040 0.02 A 81 GLU CA C 13 57.400 0.30 A 81 GLU N N 15 114.170 0.25 A 82 ASP H H 1 8.270 0.02 A 82 ASP C C 13 179.620 0.30 A 82 ASP CA C 13 58.070 0.30 A 82 ASP CB C 13 39.410 0.30 A 82 ASP N N 15 118.550 0.25 A 83 ALA H H 1 8.400 0.02 A 83 ALA CA C 13 55.200 0.30 A 83 ALA CB C 13 18.250 0.30 A 83 ALA N N 15 120.590 0.25 A 84 LEU H H 1 8.140 0.02 A 84 LEU CA C 13 55.210 0.30 A 84 LEU N N 15 118.140 0.25 A 86 ALA H H 1 8.140 0.02 A 86 ALA C C 13 180.270 0.30 A 86 ALA CA C 13 54.700 0.30 A 86 ALA CB C 13 18.330 0.30 A 86 ALA N N 15 121.680 0.25 A 87 GLU H H 1 8.080 0.02 A 87 GLU C C 13 177.360 0.30 A 87 GLU CA C 13 57.100 0.30 A 87 GLU CB C 13 28.520 0.30 A 87 GLU N N 15 115.090 0.25 A 88 ALA H H 1 8.080 0.02 A 88 ALA C C 13 178.890 0.30 A 88 ALA CA C 13 53.600 0.30 A 88 ALA CB C 13 18.990 0.30 A 88 ALA N N 15 120.180 0.25 A 89 VAL H H 1 8.040 0.02 A 89 VAL C C 13 177.630 0.30 A 89 VAL CA C 13 63.370 0.30 A 89 VAL N N 15 113.240 0.25 A 90 GLY H H 1 8.720 0.02 A 90 GLY C C 13 175.700 0.30 A 90 GLY CA C 13 47.790 0.30 A 90 GLY N N 15 109.190 0.25 A 91 PRO C C 13 179.600 0.30 A 91 PRO CA C 13 65.260 0.30 A 92 HIS H H 1 8.180 0.02 A 92 HIS C C 13 177.860 0.30 A 92 HIS CA C 13 57.790 0.30 A 92 HIS CB C 13 28.230 0.30 A 92 HIS N N 15 115.280 0.25 A 93 LEU H H 1 8.150 0.02 A 93 LEU C C 13 179.700 0.30 A 93 LEU CA C 13 57.970 0.30 A 93 LEU CB C 13 41.750 0.30 A 93 LEU N N 15 119.600 0.25 A 94 ALA H H 1 8.060 0.02 A 94 ALA C C 13 178.310 0.30 A 94 ALA CA C 13 56.020 0.30 A 94 ALA CB C 13 18.060 0.30 A 94 ALA N N 15 118.590 0.25 A 95 ARG H H 1 7.980 0.02 A 95 ARG C C 13 179.840 0.30 A 95 ARG CA C 13 59.090 0.30 A 95 ARG CB C 13 29.860 0.30 A 95 ARG N N 15 117.020 0.25 A 96 ALA H H 1 8.060 0.02 A 96 ALA C C 13 180.860 0.30 A 96 ALA CA C 13 55.070 0.30 A 96 ALA CB C 13 18.270 0.30 A 96 ALA N N 15 122.080 0.25 A 97 LEU H H 1 8.570 0.02 A 97 LEU C C 13 180.010 0.30 A 97 LEU CA C 13 57.810 0.30 A 97 LEU CB C 13 41.550 0.30 A 97 LEU N N 15 117.300 0.25 A 99 GLN H H 1 8.110 0.02 A 99 GLN C C 13 179.580 0.30 A 99 GLN CA C 13 58.800 0.30 A 99 GLN CB C 13 28.440 0.30 A 99 GLN N N 15 120.750 0.25 A 100 ILE H H 1 8.090 0.02 A 100 ILE C C 13 178.58 0.30 A 100 ILE CA C 13 65.050 0.30 A 100 ILE CB C 13 38.240 0.30 A 100 ILE N N 15 120.100 0.25 A 101 VAL H H 1 8.490 0.02 A 101 VAL C C 13 179.140 0.30 A 101 VAL CA C 13 66.790 0.30 A 101 VAL CB C 13 31.210 0.30 A 101 VAL N N 15 118.780 0.25 A 102 SER H H 1 8.210 0.02 A 102 SER C C 13 177.040 0.30 A 102 SER CA C 13 61.650 0.30 A 102 SER CB C 13 62.970 0.30 A 102 SER N N 15 114.620 0.25 A 103 ARG H H 1 7.880 0.02 A 103 ARG C C 13 178.880 0.30 A 103 ARG CA C 13 58.270 0.30 A 103 ARG CB C 13 30.390 0.30 A 103 ARG N N 15 119.660 0.25 A 104 TYR H H 1 8.170 0.02 A 104 TYR C C 13 178.170 0.30 A 104 TYR CA C 13 59.150 0.30 A 104 TYR CB C 13 39.540 0.30 A 104 TYR N N 15 115.450 0.25 A 105 GLY H H 1 8.540 0.02 A 105 GLY C C 13 175.180 0.30 A 105 GLY CA C 13 47.500 0.30 A 105 GLY N N 15 109.280 0.25 A 106 ALA H H 1 8.410 0.02 A 106 ALA C C 13 179.590 0.30 A 106 ALA CA C 13 54.100 0.30 A 106 ALA CB C 13 18.670 0.30 A 106 ALA N N 15 121.220 0.25 A 107 THR H H 1 7.940 0.02 A 107 THR C C 13 176.240 0.30 A 107 THR CA C 13 63.600 0.30 A 107 THR CB C 13 69.260 0.30 A 107 THR N N 15 109.440 0.25 A 108 VAL H H 1 7.890 0.02 A 108 VAL C C 13 177.040 0.30 A 108 VAL CA C 13 64.210 0.30 A 108 VAL CB C 13 32.680 0.30 A 108 VAL N N 15 118.270 0.25 A 109 ILE H H 1 8.120 0.02 A 109 ILE C C 13 178.630 0.30 A 109 ILE CA C 13 64.390 0.30 A 109 ILE CB C 13 36.330 0.30 A 109 ILE N N 15 118.170 0.25 A 110 PRO C C 13 178.710 0.30 A 110 PRO CA C 13 65.070 0.30 A 110 PRO CB C 13 31.240 0.30 A 111 ASN H H 1 7.790 0.02 A 111 ASN C C 13 177.400 0.30 A 111 ASN CA C 13 54.840 0.30 A 111 ASN CB C 13 39.100 0.30 A 111 ASN N N 15 114.690 0.25 A 112 ILE H H 1 8.360 0.02 A 112 ILE C C 13 177.770 0.30 A 112 ILE CA C 13 64.330 0.30 A 112 ILE CB C 13 37.610 0.30 A 112 ILE N N 15 121.290 0.25 A 113 ASN H H 1 8.500 0.02 A 113 ASN C C 13 178.310 0.30 A 113 ASN CA C 13 56.450 0.30 A 113 ASN CB C 13 37.920 0.30 A 113 ASN N N 15 119.040 0.25 A 114 ALA H H 1 8.010 0.02 A 114 ALA C C 13 180.320 0.30 A 114 ALA CA C 13 54.630 0.30 A 114 ALA CB C 13 18.310 0.30 A 114 ALA N N 15 121.380 0.25 A 115 ALA H H 1 7.900 0.02 A 115 ALA C C 13 179.800 0.30 A 115 ALA CA C 13 54.820 0.30 A 115 ALA CB C 13 18.300 0.30 A 115 ALA N N 15 119.650 0.25 A 116 ILE H H 1 8.180 0.02 A 116 ILE C C 13 179.040 0.30 A 116 ILE CA C 13 64.540 0.30 A 116 ILE CB C 13 37.620 0.30 A 116 ILE N N 15 116.070 0.25 A 117 GLU H H 1 8.010 0.02 A 117 GLU C C 13 179.420 0.30 A 117 GLU CA C 13 58.700 0.30 A 117 GLU CB C 13 28.140 0.30 A 117 GLU N N 15 119.000 0.25 A 118 VAL H H 1 7.850 0.02 A 118 VAL C C 13 178.420 0.30 A 118 VAL CA C 13 64.840 0.30 A 118 VAL CB C 13 31.760 0.30 A 118 VAL N N 15 117.340 0.25 A 119 LEU H H 1 8.070 0.02 A 119 LEU C C 13 179.010 0.30 A 119 LEU CA C 13 56.680 0.30 A 119 LEU CB C 13 42.100 0.30 A 119 LEU N N 15 119.800 0.25 A 120 GLY H H 1 8.210 0.02 A 120 GLY C C 13 175.540 0.30 A 120 GLY CA C 13 45.990 0.30 A 120 GLY N N 15 105.230 0.25 A 121 THR H H 1 7.960 0.02 A 121 THR C C 13 176.490 0.30 A 121 THR CA C 13 62.830 0.30 A 121 THR CB C 13 69.670 0.30 A 121 THR N N 15 112.240 0.25 A 122 GLY H H 1 8.530 0.02 A 122 GLY C C 13 177.180 0.30 A 122 GLY CA C 13 47.640 0.30 A 122 GLY N N 15 106.150 0.25 A 123 THR H H 1 8.000 0.02 A 123 THR C C 13 175.060 0.30 A 123 THR CA C 13 61.980 0.30 A 123 THR CB C 13 69.590 0.30 A 123 THR N N 15 112.120 0.25 A 124 ASP H H 1 8.430 0.02 A 124 ASP C C 13 176.030 0.30 A 124 ASP CA C 13 53.740 0.30 A 124 ASP CB C 13 39.490 0.30 A 124 ASP N N 15 120.860 0.25 A 125 TYR H H 1 8.050 0.02 A 125 TYR C C 13 175.690 0.30 A 125 TYR CA C 13 58.210 0.30 A 125 TYR CB C 13 38.510 0.30 A 125 TYR N N 15 119.900 0.25 A 126 ARG H H 1 7.940 0.02 A 126 ARG C C 13 175.840 0.30 A 126 ARG CA C 13 55.450 0.30 A 126 ARG CB C 13 30.890 0.30 A 126 ARG N N 15 121.200 0.25 A 127 PHE H H 1 7.930 0.02 A 127 PHE CA C 13 57.850 0.30 A 127 PHE CB C 13 39.790 0.30 A 127 PHE N N 15 122.100 0.25 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_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 -23 MET N A -23 MET CA A -23 MET C A -22 HIS N 1.0 -50.0 -40.0 PSI 2 2 A -23 MET C A -22 HIS N A -22 HIS CA A -22 HIS C 1.0 -65.0 -55.0 PHI 3 3 A -22 HIS N A -22 HIS CA A -22 HIS C A -21 HIS N 1.0 -50.0 -40.0 PSI 4 4 A -22 HIS C A -21 HIS N A -21 HIS CA A -21 HIS C 1.0 -65.0 -55.0 PHI 5 5 A -21 HIS N A -21 HIS CA A -21 HIS C A -20 HIS N 1.0 -50.0 -40.0 PSI 6 6 A -21 HIS C A -20 HIS N A -20 HIS CA A -20 HIS C 1.0 -65.0 -55.0 PHI 7 7 A -20 HIS N A -20 HIS CA A -20 HIS C A -19 HIS N 1.0 -50.0 -40.0 PSI 8 8 A -20 HIS C A -19 HIS N A -19 HIS CA A -19 HIS C 1.0 -65.0 -55.0 PHI 9 9 A -19 HIS N A -19 HIS CA A -19 HIS C A -18 HIS N 1.0 -50.0 -40.0 PSI 10 10 A -19 HIS C A -18 HIS N A -18 HIS CA A -18 HIS C 1.0 -65.0 -55.0 PHI 11 11 A -18 HIS N A -18 HIS CA A -18 HIS C A -17 HIS N 1.0 -50.0 -40.0 PSI 12 12 A -18 HIS C A -17 HIS N A -17 HIS CA A -17 HIS C 1.0 -75.0 -45.0 PHI 13 13 A -17 HIS N A -17 HIS CA A -17 HIS C A -16 SER N 1.0 -60.0 -30.0 PSI 14 14 A -15 SER C A -14 GLY N A -14 GLY CA A -14 GLY C 1.0 -79.0 -43.0 PHI 15 15 A -14 GLY N A -14 GLY CA A -14 GLY C A -13 VAL N 1.0 -49.0 -13.0 PSI 16 16 A -14 GLY C A -13 VAL N A -13 VAL CA A -13 VAL C 1.0 -91.0 -51.0 PHI 17 17 A -13 VAL N A -13 VAL CA A -13 VAL C A -12 ASP N 1.0 -45.0 -13.0 PSI 18 18 A -11 LEU C A -10 GLY N A -10 GLY CA A -10 GLY C 1.0 -144.0 -32.0 PHI 19 19 A -10 GLY N A -10 GLY CA A -10 GLY C A -9 THR N 1.0 129.0 165.0 PSI 20 20 A -10 GLY C A -9 THR N A -9 THR CA A -9 THR C 1.0 -132.0 -68.0 PHI 21 21 A -9 THR N A -9 THR CA A -9 THR C A -8 GLU N 1.0 81.0 173.0 PSI 22 22 A -8 GLU C A -7 ASN N A -7 ASN CA A -7 ASN C 1.0 -112.0 -32.0 PHI 23 23 A -7 ASN N A -7 ASN CA A -7 ASN C A -6 LEU N 1.0 99.0 183.0 PSI 24 24 A -7 ASN C A -6 LEU N A -6 LEU CA A -6 LEU C 1.0 -168.0 -64.0 PHI 25 25 A -6 LEU N A -6 LEU CA A -6 LEU C A -5 TYR N 1.0 127.0 175.0 PSI 26 26 A -6 LEU C A -5 TYR N A -5 TYR CA A -5 TYR C 1.0 -117.0 -61.0 PHI 27 27 A -5 TYR N A -5 TYR CA A -5 TYR C A -4 PHE N 1.0 -37.0 39.0 PSI 28 28 A -5 TYR C A -4 PHE N A -4 PHE CA A -4 PHE C 1.0 71.0 115.0 PHI 29 29 A -4 PHE N A -4 PHE CA A -4 PHE C A -3 GLN N 1.0 -24.0 36.0 PSI 30 30 A -4 PHE C A -3 GLN N A -3 GLN CA A -3 GLN C 1.0 -176.0 -20.0 PHI 31 31 A -3 GLN N A -3 GLN CA A -3 GLN C A -2 SER N 1.0 104.0 192.0 PSI 32 32 A 0 ALA C A 1 MET N A 1 MET CA A 1 MET C 1.0 -145.0 -53.0 PHI 33 33 A 1 MET N A 1 MET CA A 1 MET C A 2 SER N 1.0 82.0 174.0 PSI 34 34 A 3 ASP C A 4 PHE N A 4 PHE CA A 4 PHE C 1.0 -146.0 -46.0 PHI 35 35 A 4 PHE N A 4 PHE CA A 4 PHE C A 5 ASP N 1.0 91.0 179.0 PSI 36 36 A 4 PHE C A 5 ASP N A 5 ASP CA A 5 ASP C 1.0 -132.0 -52.0 PHI 37 37 A 5 ASP N A 5 ASP CA A 5 ASP C A 6 THR N 1.0 75.0 159.0 PSI 38 38 A 5 ASP C A 6 THR N A 6 THR CA A 6 THR C 1.0 -135.0 -67.0 PHI 39 39 A 6 THR N A 6 THR CA A 6 THR C A 7 GLU N 1.0 89.0 185.0 PSI 40 40 A 6 THR C A 7 GLU N A 7 GLU CA A 7 GLU C 1.0 -138.0 -50.0 PHI 41 41 A 7 GLU N A 7 GLU CA A 7 GLU C A 8 ARG N 1.0 104.0 160.0 PSI 42 42 A 7 GLU C A 8 ARG N A 8 ARG CA A 8 ARG C 1.0 84.0 104.0 PHI 43 43 A 8 ARG N A 8 ARG CA A 8 ARG C A 9 VAL N 1.0 -16.0 28.0 PSI 44 44 A 8 ARG C A 9 VAL N A 9 VAL CA A 9 VAL C 1.0 -151.0 -31.0 PHI 45 45 A 9 VAL N A 9 VAL CA A 9 VAL C A 10 SER N 1.0 104.0 164.0 PSI 46 46 A 9 VAL C A 10 SER N A 10 SER CA A 10 SER C 1.0 -137.0 -17.0 PHI 47 47 A 10 SER N A 10 SER CA A 10 SER C A 11 ARG N 1.0 122.0 166.0 PSI 48 48 A 10 SER C A 11 ARG N A 11 ARG CA A 11 ARG C 1.0 -90.0 -46.0 PHI 49 49 A 11 ARG N A 11 ARG CA A 11 ARG C A 12 ALA N 1.0 -54.0 -22.0 PSI 50 50 A 11 ARG C A 12 ALA N A 12 ALA CA A 12 ALA C 1.0 -77.0 -49.0 PHI 51 51 A 12 ALA N A 12 ALA CA A 12 ALA C A 13 VAL N 1.0 -58.0 -22.0 PSI 52 52 A 12 ALA C A 13 VAL N A 13 VAL CA A 13 VAL C 1.0 -76.0 -56.0 PHI 53 53 A 13 VAL N A 13 VAL CA A 13 VAL C A 14 ALA N 1.0 -65.0 -21.0 PSI 54 54 A 13 VAL C A 14 ALA N A 14 ALA CA A 14 ALA C 1.0 -82.0 -50.0 PHI 55 55 A 14 ALA N A 14 ALA CA A 14 ALA C A 15 ALA N 1.0 -48.0 -28.0 PSI 56 56 A 14 ALA C A 15 ALA N A 15 ALA CA A 15 ALA C 1.0 -79.0 -55.0 PHI 57 57 A 15 ALA N A 15 ALA CA A 15 ALA C A 16 ALA N 1.0 -62.0 -22.0 PSI 58 58 A 15 ALA C A 16 ALA N A 16 ALA CA A 16 ALA C 1.0 -87.0 -43.0 PHI 59 59 A 16 ALA N A 16 ALA CA A 16 ALA C A 17 LEU N 1.0 -54.0 -22.0 PSI 60 60 A 16 ALA C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -79.0 -55.0 PHI 61 61 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 VAL N 1.0 -54.0 -26.0 PSI 62 62 A 17 LEU C A 18 VAL N A 18 VAL CA A 18 VAL C 1.0 -92.0 -56.0 PHI 63 63 A 18 VAL N A 18 VAL CA A 18 VAL C A 19 GLY N 1.0 -79.0 21.0 PSI 64 64 A 18 VAL C A 19 GLY N A 19 GLY CA A 19 GLY C 1.0 -82.0 -54.0 PHI 65 65 A 19 GLY N A 19 GLY CA A 19 GLY C A 20 PRO N 1.0 -59.0 -15.0 PSI 66 66 A 19 GLY C A 20 PRO N A 20 PRO CA A 20 PRO C 1.0 -84.0 -44.0 PHI 67 67 A 20 PRO N A 20 PRO CA A 20 PRO C A 21 GLY N 1.0 -69.0 -17.0 PSI 68 68 A 20 PRO C A 21 GLY N A 21 GLY CA A 21 GLY C 1.0 -79.0 -47.0 PHI 69 69 A 21 GLY N A 21 GLY CA A 21 GLY C A 22 GLY N 1.0 -52.0 -28.0 PSI 70 70 A 21 GLY C A 22 GLY N A 22 GLY CA A 22 GLY C 1.0 -76.0 -52.0 PHI 71 71 A 22 GLY N A 22 GLY CA A 22 GLY C A 23 VAL N 1.0 -60.0 -16.0 PSI 72 72 A 22 GLY C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -89.0 -45.0 PHI 73 73 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 ALA N 1.0 -49.0 -21.0 PSI 74 74 A 23 VAL C A 24 ALA N A 24 ALA CA A 24 ALA C 1.0 -108.0 -36.0 PHI 75 75 A 24 ALA N A 24 ALA CA A 24 ALA C A 25 LEU N 1.0 -75.0 1.0 PSI 76 76 A 24 ALA C A 25 LEU N A 25 LEU CA A 25 LEU C 1.0 -73.0 -57.0 PHI 77 77 A 25 LEU N A 25 LEU CA A 25 LEU C A 26 VAL N 1.0 -57.0 -17.0 PSI 78 78 A 25 LEU C A 26 VAL N A 26 VAL CA A 26 VAL C 1.0 -86.0 -54.0 PHI 79 79 A 26 VAL N A 26 VAL CA A 26 VAL C A 27 VAL N 1.0 -55.0 -27.0 PSI 80 80 A 26 VAL C A 27 VAL N A 27 VAL CA A 27 VAL C 1.0 -89.0 -41.0 PHI 81 81 A 27 VAL N A 27 VAL CA A 27 VAL C A 28 LYS N 1.0 -53.0 -21.0 PSI 82 82 A 27 VAL C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 -94.0 -50.0 PHI 83 83 A 28 LYS N A 28 LYS CA A 28 LYS C A 29 VAL N 1.0 -49.0 -25.0 PSI 84 84 A 28 LYS C A 29 VAL N A 29 VAL CA A 29 VAL C 1.0 -105.0 -41.0 PHI 85 85 A 29 VAL N A 29 VAL CA A 29 VAL C A 30 CYS N 1.0 -72.0 -8.0 PSI 86 86 A 29 VAL C A 30 CYS N A 30 CYS CA A 30 CYS C 1.0 -81.0 -41.0 PHI 87 87 A 30 CYS N A 30 CYS CA A 30 CYS C A 31 ALA N 1.0 -56.0 -24.0 PSI 88 88 A 30 CYS C A 31 ALA N A 31 ALA CA A 31 ALA C 1.0 -90.0 -42.0 PHI 89 89 A 31 ALA N A 31 ALA CA A 31 ALA C A 32 GLY N 1.0 -54.0 -22.0 PSI 90 90 A 31 ALA C A 32 GLY N A 32 GLY CA A 32 GLY C 1.0 -77.0 -53.0 PHI 91 91 A 32 GLY N A 32 GLY CA A 32 GLY C A 33 LEU N 1.0 -56.0 -20.0 PSI 92 92 A 32 GLY C A 33 LEU N A 33 LEU CA A 33 LEU C 1.0 -105.0 -49.0 PHI 93 93 A 33 LEU N A 33 LEU CA A 33 LEU C A 34 PRO N 1.0 -65.0 -1.0 PSI 94 94 A 33 LEU C A 34 PRO N A 34 PRO CA A 34 PRO C 1.0 -79.0 -55.0 PHI 95 95 A 34 PRO N A 34 PRO CA A 34 PRO C A 35 GLY N 1.0 -56.0 -20.0 PSI 96 96 A 35 GLY C A 36 VAL N A 36 VAL CA A 36 VAL C 1.0 -129.0 -41.0 PHI 97 97 A 36 VAL N A 36 VAL CA A 36 VAL C A 37 ILE N 1.0 -54.0 38.0 PSI 98 98 A 36 VAL C A 37 ILE N A 37 ILE CA A 37 ILE C 1.0 -95.0 -47.0 PHI 99 99 A 37 ILE N A 37 ILE CA A 37 ILE C A 38 HIS N 1.0 -62.0 -14.0 PSI 100 100 A 37 ILE C A 38 HIS N A 38 HIS CA A 38 HIS C 1.0 -92.0 -44.0 PHI 101 101 A 38 HIS N A 38 HIS CA A 38 HIS C A 39 THR N 1.0 -54.0 -18.0 PSI 102 102 A 38 HIS C A 39 THR N A 39 THR CA A 39 THR C 1.0 -133.0 -41.0 PHI 103 103 A 39 THR N A 39 THR CA A 39 THR C A 40 PRO N 1.0 -57.0 27.0 PSI 104 104 A 39 THR C A 40 PRO N A 40 PRO CA A 40 PRO C 1.0 -138.0 -26.0 PHI 105 105 A 40 PRO N A 40 PRO CA A 40 PRO C A 41 ALA N 1.0 -49.0 27.0 PSI 106 106 A 40 PRO C A 41 ALA N A 41 ALA CA A 41 ALA C 1.0 -123.0 -43.0 PHI 107 107 A 41 ALA N A 41 ALA CA A 41 ALA C A 42 ARG N 1.0 -57.0 23.0 PSI 108 108 A 41 ALA C A 42 ARG N A 42 ARG CA A 42 ARG C 1.0 -80.0 -52.0 PHI 109 109 A 42 ARG N A 42 ARG CA A 42 ARG C A 43 ARG N 1.0 -66.0 -10.0 PSI 110 110 A 42 ARG C A 43 ARG N A 43 ARG CA A 43 ARG C 1.0 -82.0 -46.0 PHI 111 111 A 43 ARG N A 43 ARG CA A 43 ARG C A 44 GLY N 1.0 -63.0 -7.0 PSI 112 112 A 43 ARG C A 44 GLY N A 44 GLY CA A 44 GLY C 1.0 -77.0 -65.0 PHI 113 113 A 44 GLY N A 44 GLY CA A 44 GLY C A 45 PHE N 1.0 -54.0 -22.0 PSI 114 114 A 44 GLY C A 45 PHE N A 45 PHE CA A 45 PHE C 1.0 -80.0 -52.0 PHI 115 115 A 45 PHE N A 45 PHE CA A 45 PHE C A 46 PHE N 1.0 -63.0 -7.0 PSI 116 116 A 45 PHE C A 46 PHE N A 46 PHE CA A 46 PHE C 1.0 -80.0 -56.0 PHI 117 117 A 46 PHE N A 46 PHE CA A 46 PHE C A 47 ARG N 1.0 -56.0 -24.0 PSI 118 118 A 46 PHE C A 47 ARG N A 47 ARG CA A 47 ARG C 1.0 -83.0 -51.0 PHI 119 119 A 47 ARG N A 47 ARG CA A 47 ARG C A 48 CYS N 1.0 -58.0 -22.0 PSI 120 120 A 47 ARG C A 48 CYS N A 48 CYS CA A 48 CYS C 1.0 -75.0 -55.0 PHI 121 121 A 48 CYS N A 48 CYS CA A 48 CYS C A 49 ASN N 1.0 -52.0 -24.0 PSI 122 122 A 48 CYS C A 49 ASN N A 49 ASN CA A 49 ASN C 1.0 -79.0 -47.0 PHI 123 123 A 49 ASN N A 49 ASN CA A 49 ASN C A 50 PRO N 1.0 -63.0 -27.0 PSI 124 124 A 49 ASN C A 50 PRO N A 50 PRO CA A 50 PRO C 1.0 -75.0 -51.0 PHI 125 125 A 50 PRO N A 50 PRO CA A 50 PRO C A 51 GLU N 1.0 -44.0 -28.0 PSI 126 126 A 50 PRO C A 51 GLU N A 51 GLU CA A 51 GLU C 1.0 -76.0 -60.0 PHI 127 127 A 51 GLU N A 51 GLU CA A 51 GLU C A 52 ARG N 1.0 -76.0 -12.0 PSI 128 128 A 51 GLU C A 52 ARG N A 52 ARG CA A 52 ARG C 1.0 -85.0 -49.0 PHI 129 129 A 52 ARG N A 52 ARG CA A 52 ARG C A 53 ILE N 1.0 -61.0 -21.0 PSI 130 130 A 52 ARG C A 53 ILE N A 53 ILE CA A 53 ILE C 1.0 -82.0 -54.0 PHI 131 131 A 53 ILE N A 53 ILE CA A 53 ILE C A 54 GLN N 1.0 -59.0 -27.0 PSI 132 132 A 53 ILE C A 54 GLN N A 54 GLN CA A 54 GLN C 1.0 -85.0 -49.0 PHI 133 133 A 54 GLN N A 54 GLN CA A 54 GLN C A 55 ILE N 1.0 -53.0 -21.0 PSI 134 134 A 54 GLN C A 55 ILE N A 55 ILE CA A 55 ILE C 1.0 -85.0 -53.0 PHI 135 135 A 55 ILE N A 55 ILE CA A 55 ILE C A 56 GLY N 1.0 -61.0 -1.0 PSI 136 136 A 55 ILE C A 56 GLY N A 56 GLY CA A 56 GLY C 1.0 -91.0 -43.0 PHI 137 137 A 56 GLY N A 56 GLY CA A 56 GLY C A 57 ASP N 1.0 -67.0 -7.0 PSI 138 138 A 59 ARG C A 60 TYR N A 60 TYR CA A 60 TYR C 1.0 -81.0 -61.0 PHI 139 139 A 60 TYR N A 60 TYR CA A 60 TYR C A 61 GLU N 1.0 -64.0 20.0 PSI 140 140 A 60 TYR C A 61 GLU N A 61 GLU CA A 61 GLU C 1.0 -102.0 -42.0 PHI 141 141 A 61 GLU N A 61 GLU CA A 61 GLU C A 62 VAL N 1.0 -70.0 -6.0 PSI 142 142 A 61 GLU C A 62 VAL N A 62 VAL CA A 62 VAL C 1.0 -64.0 -48.0 PHI 143 143 A 62 VAL N A 62 VAL CA A 62 VAL C A 63 ALA N 1.0 -52.0 -20.0 PSI 144 144 A 62 VAL C A 63 ALA N A 63 ALA CA A 63 ALA C 1.0 -84.0 -60.0 PHI 145 145 A 63 ALA N A 63 ALA CA A 63 ALA C A 64 HIS N 1.0 -61.0 -13.0 PSI 146 146 A 63 ALA C A 64 HIS N A 64 HIS CA A 64 HIS C 1.0 -86.0 -50.0 PHI 147 147 A 64 HIS N A 64 HIS CA A 64 HIS C A 65 ASP N 1.0 -59.0 -23.0 PSI 148 148 A 64 HIS C A 65 ASP N A 65 ASP CA A 65 ASP C 1.0 -73.0 -53.0 PHI 149 149 A 65 ASP N A 65 ASP CA A 65 ASP C A 66 GLY N 1.0 -60.0 -12.0 PSI 150 150 A 65 ASP C A 66 GLY N A 66 GLY CA A 66 GLY C 1.0 -76.0 -56.0 PHI 151 151 A 66 GLY N A 66 GLY CA A 66 GLY C A 67 ARG N 1.0 -48.0 -28.0 PSI 152 152 A 66 GLY C A 67 ARG N A 67 ARG CA A 67 ARG C 1.0 -75.0 -55.0 PHI 153 153 A 67 ARG N A 67 ARG CA A 67 ARG C A 68 LEU N 1.0 -54.0 -26.0 PSI 154 154 A 67 ARG C A 68 LEU N A 68 LEU CA A 68 LEU C 1.0 -100.0 -44.0 PHI 155 155 A 68 LEU N A 68 LEU CA A 68 LEU C A 69 LEU N 1.0 -64.0 -28.0 PSI 156 156 A 69 LEU C A 70 ALA N A 70 ALA CA A 70 ALA C 1.0 -108.0 -40.0 PHI 157 157 A 70 ALA N A 70 ALA CA A 70 ALA C A 71 ALA N 1.0 -61.0 -5.0 PSI 158 158 A 70 ALA C A 71 ALA N A 71 ALA CA A 71 ALA C 1.0 -78.0 -54.0 PHI 159 159 A 71 ALA N A 71 ALA CA A 71 ALA C A 72 HIS N 1.0 -55.0 -27.0 PSI 160 160 A 73 MET C A 74 VAL N A 74 VAL CA A 74 VAL C 1.0 82.0 102.0 PHI 161 161 A 74 VAL N A 74 VAL CA A 74 VAL C A 75 ASN N 1.0 -21.0 27.0 PSI 162 162 A 74 VAL C A 75 ASN N A 75 ASN CA A 75 ASN C 1.0 -149.0 -37.0 PHI 163 163 A 75 ASN N A 75 ASN CA A 75 ASN C A 76 GLY N 1.0 92.0 172.0 PSI 164 164 A 75 ASN C A 76 GLY N A 76 GLY CA A 76 GLY C 1.0 -150.0 -58.0 PHI 165 165 A 76 GLY N A 76 GLY CA A 76 GLY C A 77 ILE N 1.0 93.0 185.0 PSI 166 166 A 76 GLY C A 77 ILE N A 77 ILE CA A 77 ILE C 1.0 -165.0 -45.0 PHI 167 167 A 77 ILE N A 77 ILE CA A 77 ILE C A 78 VAL N 1.0 102.0 154.0 PSI 168 168 A 77 ILE C A 78 VAL N A 78 VAL CA A 78 VAL C 1.0 -146.0 -66.0 PHI 169 169 A 78 VAL N A 78 VAL CA A 78 VAL C A 79 ILE N 1.0 92.0 176.0 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_2 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_2 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A -22 HIS N A -22 HIS H 1.0 . . . 2 2 A -21 HIS N A -21 HIS H 1.0 . . . 3 3 A -20 HIS N A -20 HIS H 1.0 . . . 4 4 A -19 HIS N A -19 HIS H 1.0 . . . 5 5 A -18 HIS N A -18 HIS H 1.0 . . . 6 6 A -17 HIS N A -17 HIS H 1.0 . . . 7 7 A -16 SER N A -16 SER H 1.0 . . . 8 8 A -15 SER N A -15 SER H 1.0 . . . 9 9 A -13 VAL N A -13 VAL H 1.0 . . . 10 10 A -12 ASP N A -12 ASP H 1.0 . . . 11 11 A -11 LEU N A -11 LEU H 1.0 . . . 12 12 A -10 GLY N A -10 GLY H 1.0 . . . 13 13 A -9 THR N A -9 THR H 1.0 . . . 14 14 A -7 ASN N A -7 ASN H 1.0 . . . 15 15 A -6 LEU N A -6 LEU H 1.0 . . . 16 16 A -5 TYR N A -5 TYR H 1.0 . . . 17 17 A -4 PHE N A -4 PHE H 1.0 . . . 18 18 A -3 GLN N A -3 GLN H 1.0 . . . 19 19 A -2 SER N A -2 SER H 1.0 . . . 20 20 A -1 ASN N A -1 ASN H 1.0 . . . 21 21 A 0 ALA N A 0 ALA H 1.0 . . . 22 22 A 1 MET N A 1 MET H 1.0 . . . 23 23 A 3 ASP N A 3 ASP H 1.0 . . . 24 24 A 6 THR N A 6 THR H 1.0 . . . 25 25 A 7 GLU N A 7 GLU H 1.0 . . . 26 26 A 8 ARG N A 8 ARG H 1.0 . . . 27 27 A 9 VAL N A 9 VAL H 1.0 . . . 28 28 A 10 SER N A 10 SER H 1.0 . . . 29 29 A 11 ARG N A 11 ARG H 1.0 . . . 30 30 A 13 VAL N A 13 VAL H 1.0 . . . 31 31 A 14 ALA N A 14 ALA H 1.0 . . . 32 32 A 15 ALA N A 15 ALA H 1.0 . . . 33 33 A 16 ALA N A 16 ALA H 1.0 . . . 34 34 A 17 LEU N A 17 LEU H 1.0 . . . 35 35 A 18 VAL N A 18 VAL H 1.0 . . . 36 36 A 19 GLY N A 19 GLY H 1.0 . . . 37 37 A 21 GLY N A 21 GLY H 1.0 . . . 38 38 A 22 GLY N A 22 GLY H 1.0 . . . 39 39 A 23 VAL N A 23 VAL H 1.0 . . . 40 40 A 26 VAL N A 26 VAL H 1.0 . . . 41 41 A 27 VAL N A 27 VAL H 1.0 . . . 42 42 A 28 LYS N A 28 LYS H 1.0 . . . 43 43 A 30 CYS N A 30 CYS H 1.0 . . . 44 44 A 33 LEU N A 33 LEU H 1.0 . . . 45 45 A 35 GLY N A 35 GLY H 1.0 . . . 46 46 A 36 VAL N A 36 VAL H 1.0 . . . 47 47 A 39 THR N A 39 THR H 1.0 . . . 48 48 A 41 ALA N A 41 ALA H 1.0 . . . 49 49 A 42 ARG N A 42 ARG H 1.0 . . . 50 50 A 44 GLY N A 44 GLY H 1.0 . . . 51 51 A 45 PHE N A 45 PHE H 1.0 . . . 52 52 A 46 PHE N A 46 PHE H 1.0 . . . 53 53 A 47 ARG N A 47 ARG H 1.0 . . . 54 54 A 48 CYS N A 48 CYS H 1.0 . . . 55 55 A 49 ASN N A 49 ASN H 1.0 . . . 56 56 A 52 ARG N A 52 ARG H 1.0 . . . 57 57 A 53 ILE N A 53 ILE H 1.0 . . . 58 58 A 54 GLN N A 54 GLN H 1.0 . . . 59 59 A 56 GLY N A 56 GLY H 1.0 . . . 60 60 A 57 ASP N A 57 ASP H 1.0 . . . 61 61 A 59 ARG N A 59 ARG H 1.0 . . . 62 62 A 60 TYR N A 60 TYR H 1.0 . . . 63 63 A 61 GLU N A 61 GLU H 1.0 . . . 64 64 A 63 ALA N A 63 ALA H 1.0 . . . 65 65 A 64 HIS N A 64 HIS H 1.0 . . . 66 66 A 65 ASP N A 65 ASP H 1.0 . . . 67 67 A 66 GLY N A 66 GLY H 1.0 . . . 68 68 A 67 ARG N A 67 ARG H 1.0 . . . 69 69 A 68 LEU N A 68 LEU H 1.0 . . . 70 70 A 69 LEU N A 69 LEU H 1.0 . . . 71 71 A 70 ALA N A 70 ALA H 1.0 . . . 72 72 A 71 ALA N A 71 ALA H 1.0 . . . 73 73 A 72 HIS N A 72 HIS H 1.0 . . . 74 74 A 73 MET N A 73 MET H 1.0 . . . 75 75 A 74 VAL N A 74 VAL H 1.0 . . . 76 76 A 75 ASN N A 75 ASN H 1.0 . . . 77 77 A 76 GLY N A 76 GLY H 1.0 . . . 78 78 A 77 ILE N A 77 ILE H 1.0 . . . 79 79 A 78 VAL N A 78 VAL H 1.0 . . . 80 80 A 79 ILE N A 79 ILE H 1.0 . . . 81 81 A -22 HIS N A -22 HIS H 1.0 . . . 82 82 A -21 HIS N A -21 HIS H 1.0 . . . 83 83 A -20 HIS N A -20 HIS H 1.0 . . . 84 84 A -19 HIS N A -19 HIS H 1.0 . . . 85 85 A -18 HIS N A -18 HIS H 1.0 . . . 86 86 A -17 HIS N A -17 HIS H 1.0 . . . 87 87 A -16 SER N A -16 SER H 1.0 . . . 88 88 A -15 SER N A -15 SER H 1.0 . . . 89 89 A -13 VAL N A -13 VAL H 1.0 . . . 90 90 A -12 ASP N A -12 ASP H 1.0 . . . 91 91 A -11 LEU N A -11 LEU H 1.0 . . . 92 92 A -10 GLY N A -10 GLY H 1.0 . . . 93 93 A -9 THR N A -9 THR H 1.0 . . . 94 94 A -7 ASN N A -7 ASN H 1.0 . . . 95 95 A -6 LEU N A -6 LEU H 1.0 . . . 96 96 A -5 TYR N A -5 TYR H 1.0 . . . 97 97 A -4 PHE N A -4 PHE H 1.0 . . . 98 98 A -3 GLN N A -3 GLN H 1.0 . . . 99 99 A -2 SER N A -2 SER H 1.0 . . . 100 100 A -1 ASN N A -1 ASN H 1.0 . . . 101 101 A 0 ALA N A 0 ALA H 1.0 . . . 102 102 A 1 MET N A 1 MET H 1.0 . . . 103 103 A 3 ASP N A 3 ASP H 1.0 . . . 104 104 A 5 ASP N A 5 ASP H 1.0 . . . 105 105 A 6 THR N A 6 THR H 1.0 . . . 106 106 A 7 GLU N A 7 GLU H 1.0 . . . 107 107 A 8 ARG N A 8 ARG H 1.0 . . . 108 108 A 9 VAL N A 9 VAL H 1.0 . . . 109 109 A 10 SER N A 10 SER H 1.0 . . . 110 110 A 11 ARG N A 11 ARG H 1.0 . . . 111 111 A 13 VAL N A 13 VAL H 1.0 . . . 112 112 A 14 ALA N A 14 ALA H 1.0 . . . 113 113 A 16 ALA N A 16 ALA H 1.0 . . . 114 114 A 17 LEU N A 17 LEU H 1.0 . . . 115 115 A 18 VAL N A 18 VAL H 1.0 . . . 116 116 A 21 GLY N A 21 GLY H 1.0 . . . 117 117 A 22 GLY N A 22 GLY H 1.0 . . . 118 118 A 23 VAL N A 23 VAL H 1.0 . . . 119 119 A 24 ALA N A 24 ALA H 1.0 . . . 120 120 A 26 VAL N A 26 VAL H 1.0 . . . 121 121 A 27 VAL N A 27 VAL H 1.0 . . . 122 122 A 28 LYS N A 28 LYS H 1.0 . . . 123 123 A 29 VAL N A 29 VAL H 1.0 . . . 124 124 A 30 CYS N A 30 CYS H 1.0 . . . 125 125 A 31 ALA N A 31 ALA H 1.0 . . . 126 126 A 32 GLY N A 32 GLY H 1.0 . . . 127 127 A 33 LEU N A 33 LEU H 1.0 . . . 128 128 A 35 GLY N A 35 GLY H 1.0 . . . 129 129 A 36 VAL N A 36 VAL H 1.0 . . . 130 130 A 37 ILE N A 37 ILE H 1.0 . . . 131 131 A 38 HIS N A 38 HIS H 1.0 . . . 132 132 A 39 THR N A 39 THR H 1.0 . . . 133 133 A 41 ALA N A 41 ALA H 1.0 . . . 134 134 A 42 ARG N A 42 ARG H 1.0 . . . 135 135 A 45 PHE N A 45 PHE H 1.0 . . . 136 136 A 46 PHE N A 46 PHE H 1.0 . . . 137 137 A 47 ARG N A 47 ARG H 1.0 . . . 138 138 A 48 CYS N A 48 CYS H 1.0 . . . 139 139 A 49 ASN N A 49 ASN H 1.0 . . . 140 140 A 52 ARG N A 52 ARG H 1.0 . . . 141 141 A 53 ILE N A 53 ILE H 1.0 . . . 142 142 A 54 GLN N A 54 GLN H 1.0 . . . 143 143 A 55 ILE N A 55 ILE H 1.0 . . . 144 144 A 56 GLY N A 56 GLY H 1.0 . . . 145 145 A 57 ASP N A 57 ASP H 1.0 . . . 146 146 A 58 TRP N A 58 TRP H 1.0 . . . 147 147 A 59 ARG N A 59 ARG H 1.0 . . . 148 148 A 60 TYR N A 60 TYR H 1.0 . . . 149 149 A 61 GLU N A 61 GLU H 1.0 . . . 150 150 A 63 ALA N A 63 ALA H 1.0 . . . 151 151 A 64 HIS N A 64 HIS H 1.0 . . . 152 152 A 65 ASP N A 65 ASP H 1.0 . . . 153 153 A 66 GLY N A 66 GLY H 1.0 . . . 154 154 A 67 ARG N A 67 ARG H 1.0 . . . 155 155 A 68 LEU N A 68 LEU H 1.0 . . . 156 156 A 69 LEU N A 69 LEU H 1.0 . . . 157 157 A 70 ALA N A 70 ALA H 1.0 . . . 158 158 A 71 ALA N A 71 ALA H 1.0 . . . 159 159 A 72 HIS N A 72 HIS H 1.0 . . . 160 160 A 73 MET N A 73 MET H 1.0 . . . 161 161 A 74 VAL N A 74 VAL H 1.0 . . . 162 162 A 75 ASN N A 75 ASN H 1.0 . . . 163 163 A 76 GLY N A 76 GLY H 1.0 . . . 164 164 A 77 ILE N A 77 ILE H 1.0 . . . 165 165 A 78 VAL N A 78 VAL H 1.0 . . . 166 166 A 79 ILE N A 79 ILE H 1.0 . . . stop_ save_