data_nef_c25793_2n74 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 2N74 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 MET start . . 2 A 2 ASP middle . . 3 A 3 SER middle . . 4 A 4 ASN middle . . 5 A 5 THR middle . . 6 A 6 VAL middle . . 7 A 7 SER middle . . 8 A 8 SER middle . . 9 A 9 PHE middle . . 10 A 10 GLN middle . . 11 A 11 VAL middle . . 12 A 12 ASP middle . . 13 A 13 CYS middle . . 14 A 14 PHE middle . . 15 A 15 LEU middle . . 16 A 16 TRP middle . . 17 A 17 HIS middle . . 18 A 18 VAL middle . . 19 A 19 ARG middle . . 20 A 20 LYS middle . . 21 A 21 ARG middle . . 22 A 22 PHE middle . . 23 A 23 ALA middle . . 24 A 24 ASP middle . . 25 A 25 GLN middle . . 26 A 26 GLU middle . . 27 A 27 LEU middle . . 28 A 28 GLY middle . false 29 A 29 ASP middle . . 30 A 30 ALA middle . . 31 A 31 PRO middle . false 32 A 32 PHE middle . . 33 A 33 LEU middle . . 34 A 34 ASP middle . . 35 A 35 ARG middle . . 36 A 36 LEU middle . . 37 A 37 ARG middle . . 38 A 38 ARG middle . . 39 A 39 ASP middle . . 40 A 40 GLN middle . . 41 A 41 LYS middle . . 42 A 42 SER middle . . 43 A 43 LEU middle . . 44 A 44 ARG middle . . 45 A 45 GLY middle . false 46 A 46 ARG middle . . 47 A 47 GLY middle . false 48 A 48 SER middle . . 49 A 49 THR middle . . 50 A 50 LEU middle . . 51 A 51 GLY middle . false 52 A 52 LEU middle . . 53 A 53 ASP middle . . 54 A 54 ILE middle . . 55 A 55 GLU middle . . 56 A 56 THR middle . . 57 A 57 ALA middle . . 58 A 58 THR middle . . 59 A 59 ARG middle . . 60 A 60 ALA middle . . 61 A 61 GLY middle . false 62 A 62 LYS middle . . 63 A 63 GLN middle . . 64 A 64 ILE middle . . 65 A 65 VAL middle . . 66 A 66 GLU middle . . 67 A 67 ARG middle . . 68 A 68 ILE middle . . 69 A 69 LEU middle . . 70 A 70 LYS middle . . 71 A 71 GLU middle . . 72 A 72 GLU middle . . 73 A 73 SER end . . 74 B 101 MET start . . 75 B 102 ASP middle . . 76 B 103 SER middle . . 77 B 104 ASN middle . . 78 B 105 THR middle . . 79 B 106 VAL middle . . 80 B 107 SER middle . . 81 B 108 SER middle . . 82 B 109 PHE middle . . 83 B 110 GLN middle . . 84 B 111 VAL middle . . 85 B 112 ASP middle . . 86 B 113 CYS middle . . 87 B 114 PHE middle . . 88 B 115 LEU middle . . 89 B 116 TRP middle . . 90 B 117 HIS middle . . 91 B 118 VAL middle . . 92 B 119 ARG middle . . 93 B 120 LYS middle . . 94 B 121 ARG middle . . 95 B 122 PHE middle . . 96 B 123 ALA middle . . 97 B 124 ASP middle . . 98 B 125 GLN middle . . 99 B 126 GLU middle . . 100 B 127 LEU middle . . 101 B 128 GLY middle . false 102 B 129 ASP middle . . 103 B 130 ALA middle . . 104 B 131 PRO middle . false 105 B 132 PHE middle . . 106 B 133 LEU middle . . 107 B 134 ASP middle . . 108 B 135 ARG middle . . 109 B 136 LEU middle . . 110 B 137 ARG middle . . 111 B 138 ARG middle . . 112 B 139 ASP middle . . 113 B 140 GLN middle . . 114 B 141 LYS middle . . 115 B 142 SER middle . . 116 B 143 LEU middle . . 117 B 144 ARG middle . . 118 B 145 GLY middle . false 119 B 146 ARG middle . . 120 B 147 GLY middle . false 121 B 148 SER middle . . 122 B 149 THR middle . . 123 B 150 LEU middle . . 124 B 151 GLY middle . false 125 B 152 LEU middle . . 126 B 153 ASP middle . . 127 B 154 ILE middle . . 128 B 155 GLU middle . . 129 B 156 THR middle . . 130 B 157 ALA middle . . 131 B 158 THR middle . . 132 B 159 ARG middle . . 133 B 160 ALA middle . . 134 B 161 GLY middle . false 135 B 162 LYS middle . . 136 B 163 GLN middle . . 137 B 164 ILE middle . . 138 B 165 VAL middle . . 139 B 166 GLU middle . . 140 B 167 ARG middle . . 141 B 168 ILE middle . . 142 B 169 LEU middle . . 143 B 170 LYS middle . . 144 B 171 GLU middle . . 145 B 172 GLU middle . . 146 B 173 SER 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 2 ASP HA H 1 4.703 0.000 A 2 ASP HBy H 1 2.758 0.000 A 2 ASP HBx H 1 2.651 0.000 A 2 ASP C C 13 173.678 0.000 A 2 ASP CA C 13 51.357 0.000 A 2 ASP CB C 13 39.114 0.000 A 3 SER H H 1 8.745 0.000 A 3 SER HA H 1 4.237 0.000 A 3 SER HBy H 1 4.025 0.000 A 3 SER HBx H 1 3.911 0.000 A 3 SER C C 13 173.240 0.000 A 3 SER CA C 13 57.300 0.000 A 3 SER CB C 13 60.653 0.000 A 3 SER N N 15 118.993 0.000 A 4 ASN H H 1 8.865 0.000 A 4 ASN HA H 1 4.576 0.000 A 4 ASN HBy H 1 2.716 0.000 A 4 ASN HBx H 1 2.333 0.000 A 4 ASN C C 13 176.101 0.000 A 4 ASN CA C 13 52.488 0.000 A 4 ASN CB C 13 33.507 0.000 A 4 ASN N N 15 122.369 0.000 A 5 THR H H 1 8.200 0.000 A 5 THR HA H 1 4.330 0.000 A 5 THR HB H 1 4.138 0.000 A 5 THR HG2% H 1 1.294 0.000 A 5 THR C C 13 174.576 0.000 A 5 THR CA C 13 63.330 0.000 A 5 THR CB C 13 66.155 0.000 A 5 THR CG2 C 13 19.856 0.000 A 5 THR N N 15 122.349 0.000 A 6 VAL H H 1 7.590 0.000 A 6 VAL HA H 1 3.480 0.000 A 6 VAL HB H 1 2.170 0.000 A 6 VAL HGx% H 1 1.000 0.000 A 6 VAL HGy% H 1 0.880 0.000 A 6 VAL C C 13 174.988 0.000 A 6 VAL CA C 13 64.919 0.000 A 6 VAL CB C 13 28.699 0.000 A 6 VAL CGy C 13 20.200 0.000 A 6 VAL CGx C 13 18.100 0.000 A 6 VAL N N 15 124.255 0.000 A 7 SER H H 1 8.721 0.000 A 7 SER HA H 1 4.459 0.000 A 7 SER HBy H 1 4.121 0.000 A 7 SER HBx H 1 3.825 0.000 A 7 SER C C 13 173.494 0.000 A 7 SER CA C 13 59.174 0.000 A 7 SER CB C 13 60.020 0.000 A 7 SER N N 15 116.402 0.000 A 8 SER H H 1 8.213 0.000 A 8 SER HA H 1 3.745 0.000 A 8 SER HBx H 1 3.907 0.000 A 8 SER HBy H 1 4.015 0.000 A 8 SER C C 13 171.540 0.000 A 8 SER CA C 13 60.322 0.000 A 8 SER CB C 13 60.785 0.000 A 8 SER N N 15 116.463 0.000 A 9 PHE H H 1 7.387 0.000 A 9 PHE HA H 1 4.405 0.000 A 9 PHE HBx H 1 3.090 0.000 A 9 PHE HBy H 1 3.161 0.000 A 9 PHE HDx H 1 6.867 0.000 A 9 PHE HDy H 1 6.867 0.000 A 9 PHE HEx H 1 7.095 0.000 A 9 PHE HEy H 1 7.095 0.000 A 9 PHE HZ H 1 6.788 0.000 A 9 PHE C C 13 174.481 0.000 A 9 PHE CA C 13 58.488 0.000 A 9 PHE CB C 13 36.397 0.000 A 9 PHE CDx C 13 128.156 0.000 A 9 PHE CDy C 13 128.156 0.000 A 9 PHE CEx C 13 129.094 0.000 A 9 PHE CEy C 13 129.094 0.000 A 9 PHE CZ C 13 127.219 0.000 A 9 PHE N N 15 121.530 0.000 A 10 GLN H H 1 8.335 0.000 A 10 GLN HA H 1 3.516 0.000 A 10 GLN HBy H 1 2.510 0.000 A 10 GLN HBx H 1 1.568 0.000 A 10 GLN HGy H 1 2.764 0.000 A 10 GLN HGx H 1 2.320 0.000 A 10 GLN C C 13 176.083 0.000 A 10 GLN CA C 13 56.595 0.000 A 10 GLN CB C 13 23.672 0.000 A 10 GLN CG C 13 30.800 0.000 A 10 GLN N N 15 119.460 0.000 A 11 VAL H H 1 8.127 0.000 A 11 VAL HA H 1 3.300 0.000 A 11 VAL HB H 1 1.400 0.000 A 11 VAL HGx% H 1 0.150 0.000 A 11 VAL HGy% H 1 0.300 0.000 A 11 VAL C C 13 174.535 0.000 A 11 VAL CA C 13 65.180 0.000 A 11 VAL CB C 13 28.300 0.000 A 11 VAL CGy C 13 21.460 0.000 A 11 VAL CGx C 13 17.560 0.000 A 11 VAL N N 15 119.513 0.000 A 12 ASP H H 1 8.116 0.000 A 12 ASP HA H 1 4.414 0.000 A 12 ASP HBy H 1 2.747 0.000 A 12 ASP HBx H 1 2.517 0.000 A 12 ASP C C 13 177.940 0.000 A 12 ASP CA C 13 55.349 0.000 A 12 ASP CB C 13 37.275 0.000 A 12 ASP N N 15 120.959 0.000 A 13 CYS H H 1 8.448 0.000 A 13 CYS HA H 1 4.015 0.000 A 13 CYS HBx H 1 2.650 0.000 A 13 CYS HBy H 1 2.792 0.000 A 13 CYS C C 13 175.349 0.000 A 13 CYS CA C 13 62.384 0.000 A 13 CYS CB C 13 23.610 0.000 A 13 CYS N N 15 119.479 0.000 A 14 PHE H H 1 8.244 0.000 A 14 PHE HA H 1 4.460 0.000 A 14 PHE HBy H 1 3.598 0.000 A 14 PHE HBx H 1 2.682 0.000 A 14 PHE HDx H 1 7.057 0.000 A 14 PHE HDy H 1 7.057 0.000 A 14 PHE HEx H 1 7.252 0.000 A 14 PHE HEy H 1 7.252 0.000 A 14 PHE HZ H 1 7.143 0.000 A 14 PHE C C 13 174.143 0.000 A 14 PHE CA C 13 59.902 0.000 A 14 PHE CB C 13 35.907 0.000 A 14 PHE N N 15 121.085 0.000 A 15 LEU H H 1 9.072 0.000 A 15 LEU HA H 1 3.735 0.000 A 15 LEU HBy H 1 1.950 0.000 A 15 LEU HBx H 1 1.397 0.000 A 15 LEU HDx% H 1 0.816 0.000 A 15 LEU HDy% H 1 0.780 0.000 A 15 LEU HG H 1 2.067 0.000 A 15 LEU C C 13 176.261 0.000 A 15 LEU CA C 13 55.494 0.000 A 15 LEU CB C 13 36.676 0.000 A 15 LEU CDx C 13 19.640 0.000 A 15 LEU CDy C 13 23.560 0.000 A 15 LEU CG C 13 23.560 0.000 A 15 LEU N N 15 118.069 0.000 A 16 TRP H H 1 8.142 0.000 A 16 TRP HA H 1 3.660 0.000 A 16 TRP HBy H 1 3.360 0.000 A 16 TRP HBx H 1 3.090 0.000 A 16 TRP HD1 H 1 6.897 0.000 A 16 TRP HE1 H 1 10.423 0.000 A 16 TRP HE3 H 1 7.258 0.000 A 16 TRP HH2 H 1 7.035 0.000 A 16 TRP HZ2 H 1 7.161 0.000 A 16 TRP HZ3 H 1 7.065 0.000 A 16 TRP C C 13 173.925 0.000 A 16 TRP CA C 13 61.127 0.000 A 16 TRP CB C 13 26.247 0.000 A 16 TRP N N 15 120.587 0.000 A 16 TRP NE1 N 15 128.555 0.000 A 17 HIS H H 1 7.697 0.000 A 17 HIS HA H 1 4.022 0.000 A 17 HIS HBy H 1 3.571 0.000 A 17 HIS HBx H 1 3.318 0.000 A 17 HIS HD2 H 1 6.539 0.000 A 17 HIS HE1 H 1 8.256 0.000 A 17 HIS C C 13 173.650 0.000 A 17 HIS CA C 13 57.350 0.000 A 17 HIS CB C 13 25.231 0.000 A 17 HIS CD2 C 13 116.906 0.000 A 17 HIS CE1 C 13 134.719 0.000 A 17 HIS N N 15 117.927 0.000 A 18 VAL H H 1 7.651 0.000 A 18 VAL HA H 1 2.949 0.000 A 18 VAL HB H 1 1.964 0.000 A 18 VAL HGx% H 1 0.426 0.000 A 18 VAL HGy% H 1 0.761 0.000 A 18 VAL C C 13 174.321 0.000 A 18 VAL CA C 13 64.400 0.000 A 18 VAL CB C 13 28.400 0.000 A 18 VAL CGy C 13 21.034 0.000 A 18 VAL CGx C 13 19.675 0.000 A 18 VAL N N 15 118.787 0.000 A 19 ARG H H 1 7.602 0.000 A 19 ARG HA H 1 3.661 0.000 A 19 ARG HBx H 1 1.559 0.000 A 19 ARG HBy H 1 1.559 0.000 A 19 ARG C C 13 174.575 0.000 A 19 ARG CA C 13 57.558 0.000 A 19 ARG CB C 13 28.140 0.000 A 19 ARG CD C 13 40.885 0.000 A 19 ARG CG C 13 25.020 0.000 A 19 ARG N N 15 118.108 0.000 A 20 LYS H H 1 8.304 0.000 A 20 LYS HA H 1 3.530 0.000 A 20 LYS HBy H 1 1.476 0.000 A 20 LYS HBx H 1 0.209 0.000 A 20 LYS HDx H 1 1.158 0.000 A 20 LYS HDy H 1 1.246 0.000 A 20 LYS HEx H 1 1.225 0.000 A 20 LYS HEy H 1 1.225 0.000 A 20 LYS HGx H 1 2.998 0.000 A 20 LYS HGy H 1 3.046 0.000 A 20 LYS C C 13 174.970 0.000 A 20 LYS CA C 13 55.292 0.000 A 20 LYS CB C 13 28.420 0.000 A 20 LYS CD C 13 21.581 0.000 A 20 LYS CE C 13 25.385 0.000 A 20 LYS CG C 13 39.549 0.000 A 20 LYS N N 15 121.889 0.000 A 21 ARG H H 1 7.772 0.000 A 21 ARG HA H 1 3.915 0.000 A 21 ARG HBy H 1 1.783 0.000 A 21 ARG HBx H 1 1.589 0.000 A 21 ARG C C 13 176.513 0.000 A 21 ARG CA C 13 55.003 0.000 A 21 ARG CB C 13 26.002 0.000 A 21 ARG CD C 13 38.842 0.000 A 21 ARG CG C 13 23.712 0.000 A 21 ARG N N 15 118.825 0.000 A 22 PHE H H 1 7.799 0.000 A 22 PHE HA H 1 3.899 0.000 A 22 PHE HBy H 1 3.263 0.000 A 22 PHE HBx H 1 2.703 0.000 A 22 PHE HDx H 1 6.616 0.000 A 22 PHE HDy H 1 6.616 0.000 A 22 PHE HEx H 1 6.314 0.000 A 22 PHE HEy H 1 6.314 0.000 A 22 PHE HZ H 1 6.373 0.000 A 22 PHE C C 13 173.880 0.000 A 22 PHE CA C 13 58.542 0.000 A 22 PHE CB C 13 35.961 0.000 A 22 PHE CDx C 13 129.094 0.000 A 22 PHE CDy C 13 129.094 0.000 A 22 PHE CEx C 13 128.625 0.000 A 22 PHE CEy C 13 128.625 0.000 A 22 PHE CZ C 13 127.688 0.000 A 22 PHE N N 15 120.501 0.000 A 23 ALA H H 1 8.627 0.000 A 23 ALA HA H 1 3.720 0.000 A 23 ALA HB% H 1 1.520 0.000 A 23 ALA C C 13 179.545 0.000 A 23 ALA CA C 13 51.750 0.000 A 23 ALA CB C 13 15.970 0.000 A 23 ALA N N 15 123.040 0.000 A 24 ASP H H 1 8.846 0.000 A 24 ASP HA H 1 4.323 0.000 A 24 ASP HBy H 1 2.915 0.000 A 24 ASP HBx H 1 2.800 0.000 A 24 ASP C C 13 175.020 0.000 A 24 ASP CA C 13 53.645 0.000 A 24 ASP CB C 13 37.158 0.000 A 24 ASP N N 15 121.514 0.000 A 25 GLN H H 1 7.192 0.000 A 25 GLN HA H 1 4.159 0.000 A 25 GLN HBy H 1 2.108 0.000 A 25 GLN HBx H 1 1.828 0.000 A 25 GLN HGy H 1 2.470 0.000 A 25 GLN HGx H 1 2.280 0.000 A 25 GLN C C 13 171.680 0.000 A 25 GLN CA C 13 53.101 0.000 A 25 GLN CB C 13 25.351 0.000 A 25 GLN CG C 13 31.418 0.000 A 25 GLN N N 15 118.127 0.000 A 26 GLU H H 1 7.975 0.000 A 26 GLU HA H 1 3.906 0.000 A 26 GLU HBx H 1 2.122 0.000 A 26 GLU HBy H 1 2.122 0.000 A 26 GLU HGy H 1 2.045 0.000 A 26 GLU HGx H 1 1.994 0.000 A 26 GLU C C 13 173.060 0.000 A 26 GLU CA C 13 54.352 0.000 A 26 GLU CB C 13 22.759 0.000 A 26 GLU CG C 13 33.660 0.000 A 26 GLU N N 15 112.361 0.000 A 27 LEU H H 1 5.781 0.000 A 27 LEU HA H 1 4.043 0.000 A 27 LEU HBy H 1 0.754 0.000 A 27 LEU HBx H 1 -0.292 0.000 A 27 LEU HDx% H 1 0.560 0.000 A 27 LEU HDy% H 1 0.57 0.000 A 27 LEU HG H 1 1.002 0.000 A 27 LEU C C 13 172.610 0.000 A 27 LEU CA C 13 50.921 0.000 A 27 LEU CB C 13 40.359 0.000 A 27 LEU CDy C 13 22.990 0.000 A 27 LEU CDx C 13 19.557 0.000 A 27 LEU CG C 13 23.270 0.000 A 27 LEU N N 15 115.873 0.000 A 28 GLY H H 1 7.785 0.000 A 28 GLY HAy H 1 4.063 0.000 A 28 GLY HAx H 1 2.920 0.000 A 28 GLY C C 13 172.297 0.000 A 28 GLY CA C 13 41.348 0.000 A 28 GLY N N 15 103.011 0.000 A 29 ASP H H 1 7.515 0.000 A 29 ASP HA H 1 4.720 0.000 A 29 ASP HBy H 1 3.127 0.000 A 29 ASP HBx H 1 2.210 0.000 A 29 ASP C C 13 172.137 0.000 A 29 ASP CA C 13 48.748 0.000 A 29 ASP CB C 13 38.519 0.000 A 29 ASP N N 15 122.671 0.000 A 30 ALA H H 1 8.492 0.000 A 30 ALA HA H 1 4.240 0.000 A 30 ALA HB% H 1 1.480 0.000 A 30 ALA CA C 13 54.400 0.000 A 30 ALA CB C 13 12.540 0.000 A 30 ALA N N 15 119.757 0.000 A 31 PRO HA H 1 4.361 0.000 A 31 PRO HBy H 1 2.264 0.000 A 31 PRO HBx H 1 2.020 0.000 A 31 PRO HDx H 1 3.619 0.000 A 31 PRO HDy H 1 3.756 0.000 A 31 PRO HGy H 1 2.163 0.000 A 31 PRO HGx H 1 1.828 0.000 A 31 PRO C C 13 175.699 0.000 A 31 PRO CA C 13 63.220 0.000 A 31 PRO CB C 13 28.336 0.000 A 31 PRO CD C 13 47.600 0.000 A 31 PRO CG C 13 25.583 0.000 A 32 PHE H H 1 7.949 0.000 A 32 PHE HA H 1 3.885 0.000 A 32 PHE HBy H 1 3.468 0.000 A 32 PHE HBx H 1 3.345 0.000 A 32 PHE HDx H 1 7.116 0.000 A 32 PHE HDy H 1 7.116 0.000 A 32 PHE HEx H 1 7.375 0.000 A 32 PHE HEy H 1 7.375 0.000 A 32 PHE HZ H 1 6.848 0.000 A 32 PHE C C 13 176.949 0.000 A 32 PHE CA C 13 59.685 0.000 A 32 PHE CB C 13 36.778 0.000 A 32 PHE CDx C 13 129.328 0.000 A 32 PHE CDy C 13 129.328 0.000 A 32 PHE CEx C 13 129.094 0.000 A 32 PHE CEy C 13 129.094 0.000 A 32 PHE CZ C 13 127.453 0.000 A 32 PHE N N 15 119.824 0.000 A 33 LEU H H 1 8.386 0.000 A 33 LEU HA H 1 4.063 0.000 A 33 LEU HBy H 1 2.035 0.000 A 33 LEU HBx H 1 1.520 0.000 A 33 LEU HDx% H 1 0.843 0.000 A 33 LEU HDy% H 1 0.993 0.000 A 33 LEU HG H 1 1.889 0.000 A 33 LEU C C 13 176.490 0.000 A 33 LEU CA C 13 54.968 0.000 A 33 LEU CB C 13 38.335 0.000 A 33 LEU CDy C 13 22.400 0.000 A 33 LEU CDx C 13 20.205 0.000 A 33 LEU CG C 13 24.373 0.000 A 33 LEU N N 15 121.755 0.000 A 34 ASP H H 1 8.252 0.000 A 34 ASP HA H 1 4.399 0.000 A 34 ASP HBx H 1 2.743 0.000 A 34 ASP HBy H 1 2.743 0.000 A 34 ASP C C 13 176.196 0.000 A 34 ASP CA C 13 54.871 0.000 A 34 ASP CB C 13 38.471 0.000 A 34 ASP N N 15 121.771 0.000 A 35 ARG H H 1 8.197 0.000 A 35 ARG HA H 1 3.818 0.000 A 35 ARG HBy H 1 1.817 0.000 A 35 ARG HBx H 1 1.398 0.000 A 35 ARG C C 13 175.752 0.000 A 35 ARG CA C 13 57.302 0.000 A 35 ARG CB C 13 27.486 0.000 A 35 ARG CD C 13 40.232 0.000 A 35 ARG CG C 13 26.001 0.000 A 35 ARG N N 15 119.119 0.000 A 36 LEU H H 1 7.735 0.000 A 36 LEU HA H 1 3.872 0.000 A 36 LEU HBy H 1 2.074 0.000 A 36 LEU HBx H 1 1.233 0.000 A 36 LEU HDx% H 1 0.583 0.000 A 36 LEU HDy% H 1 -0.046 0.000 A 36 LEU HG H 1 1.417 0.000 A 36 LEU C C 13 177.676 0.000 A 36 LEU CA C 13 55.818 0.000 A 36 LEU CB C 13 40.156 0.000 A 36 LEU CDy C 13 23.900 0.000 A 36 LEU CDx C 13 21.510 0.000 A 36 LEU CG C 13 23.240 0.000 A 36 LEU N N 15 120.940 0.000 A 37 ARG H H 1 8.006 0.000 A 37 ARG HA H 1 4.241 0.000 A 37 ARG HBy H 1 2.025 0.000 A 37 ARG HBx H 1 1.979 0.000 A 37 ARG C C 13 174.571 0.000 A 37 ARG CA C 13 56.891 0.000 A 37 ARG CB C 13 27.936 0.000 A 37 ARG CD C 13 40.820 0.000 A 37 ARG CG C 13 25.049 0.000 A 37 ARG N N 15 120.596 0.000 A 38 ARG H H 1 8.307 0.000 A 38 ARG HA H 1 3.987 0.000 A 38 ARG HBx H 1 1.868 0.000 A 38 ARG HBy H 1 1.870 0.000 A 38 ARG C C 13 177.290 0.000 A 38 ARG CA C 13 57.131 0.000 A 38 ARG CB C 13 27.450 0.000 A 38 ARG CD C 13 40.873 0.000 A 38 ARG CG C 13 25.102 0.000 A 38 ARG N N 15 121.436 0.000 A 39 ASP H H 1 8.737 0.000 A 39 ASP HA H 1 4.529 0.000 A 39 ASP HBy H 1 2.908 0.000 A 39 ASP HBx H 1 2.805 0.000 A 39 ASP C C 13 174.864 0.000 A 39 ASP CA C 13 53.700 0.000 A 39 ASP CB C 13 37.158 0.000 A 39 ASP N N 15 120.034 0.000 A 40 GLN H H 1 7.954 0.000 A 40 GLN HA H 1 2.999 0.000 A 40 GLN HBy H 1 2.292 0.000 A 40 GLN HBx H 1 2.169 0.000 A 40 GLN HGy H 1 1.875 0.000 A 40 GLN HGx H 1 1.643 0.000 A 40 GLN C C 13 175.010 0.000 A 40 GLN CA C 13 56.747 0.000 A 40 GLN CB C 13 25.196 0.000 A 40 GLN CG C 13 30.553 0.000 A 40 GLN N N 15 121.853 0.000 A 41 LYS H H 1 7.014 0.000 A 41 LYS HA H 1 3.914 0.000 A 41 LYS HBx H 1 1.939 0.000 A 41 LYS HBy H 1 1.940 0.000 A 41 LYS HDy H 1 1.554 0.000 A 41 LYS HDx H 1 1.371 0.000 A 41 LYS HEx H 1 1.660 0.000 A 41 LYS HEy H 1 1.660 0.000 A 41 LYS HGx H 1 2.925 0.000 A 41 LYS HGy H 1 2.925 0.000 A 41 LYS C C 13 177.117 0.000 A 41 LYS CA C 13 56.689 0.000 A 41 LYS CB C 13 29.446 0.000 A 41 LYS CD C 13 22.404 0.000 A 41 LYS CE C 13 26.447 0.000 A 41 LYS CG C 13 39.135 0.000 A 41 LYS N N 15 117.346 0.000 A 42 SER H H 1 7.875 0.000 A 42 SER HA H 1 4.262 0.000 A 42 SER HBx H 1 3.965 0.000 A 42 SER HBy H 1 3.965 0.000 A 42 SER C C 13 175.262 0.000 A 42 SER CA C 13 58.256 0.000 A 42 SER CB C 13 59.683 0.000 A 42 SER N N 15 115.844 0.000 A 43 LEU H H 1 8.736 0.000 A 43 LEU HA H 1 4.082 0.000 A 43 LEU HBy H 1 1.682 0.000 A 43 LEU HBx H 1 1.179 0.000 A 43 LEU HDx% H 1 0.473 0.000 A 43 LEU HDy% H 1 0.773 0.000 A 43 LEU HG H 1 1.671 0.000 A 43 LEU C C 13 176.505 0.000 A 43 LEU CA C 13 55.621 0.000 A 43 LEU CB C 13 38.460 0.000 A 43 LEU CDy C 13 22.700 0.000 A 43 LEU CDx C 13 21.000 0.000 A 43 LEU CG C 13 24.070 0.000 A 43 LEU N N 15 123.254 0.000 A 44 ARG H H 1 7.686 0.000 A 44 ARG HA H 1 4.011 0.000 A 44 ARG HBx H 1 1.852 0.000 A 44 ARG C C 13 177.379 0.000 A 44 ARG CA C 13 56.911 0.000 A 44 ARG CB C 13 26.602 0.000 A 44 ARG CD C 13 40.873 0.000 A 44 ARG CG C 13 24.942 0.000 A 44 ARG N N 15 118.877 0.000 A 45 GLY H H 1 7.762 0.000 A 45 GLY HAx H 1 3.850 0.000 A 45 GLY HAy H 1 3.940 0.000 A 45 GLY C C 13 173.935 0.000 A 45 GLY CA C 13 44.395 0.000 A 45 GLY N N 15 107.372 0.000 A 46 ARG H H 1 8.381 0.000 A 46 ARG HA H 1 3.902 0.000 A 46 ARG HBx H 1 1.833 0.000 A 46 ARG C C 13 175.910 0.000 A 46 ARG CA C 13 56.375 0.000 A 46 ARG CB C 13 28.851 0.000 A 46 ARG CG C 13 23.672 0.000 A 46 ARG N N 15 123.780 0.000 A 47 GLY H H 1 8.782 0.000 A 47 GLY HAy H 1 3.680 0.000 A 47 GLY HAx H 1 3.045 0.000 A 47 GLY C C 13 173.406 0.000 A 47 GLY CA C 13 45.429 0.000 A 47 GLY N N 15 107.330 0.000 A 48 SER H H 1 7.737 0.000 A 48 SER HA H 1 4.200 0.000 A 48 SER HBx H 1 3.972 0.000 A 48 SER HBy H 1 3.972 0.000 A 48 SER C C 13 174.824 0.000 A 48 SER CA C 13 58.531 0.000 A 48 SER CB C 13 59.837 0.000 A 48 SER N N 15 116.214 0.000 A 49 THR H H 1 7.784 0.000 A 49 THR HA H 1 3.885 0.000 A 49 THR HB H 1 4.125 0.000 A 49 THR HG2% H 1 1.137 0.000 A 49 THR C C 13 173.322 0.000 A 49 THR CA C 13 63.385 0.000 A 49 THR CB C 13 65.997 0.000 A 49 THR CG2 C 13 18.931 0.000 A 49 THR N N 15 118.158 0.000 A 50 LEU H H 1 7.734 0.000 A 50 LEU HA H 1 4.050 0.000 A 50 LEU HBx H 1 1.228 0.000 A 50 LEU HBy H 1 1.228 0.000 A 50 LEU HDx% H 1 0.235 0.000 A 50 LEU HDy% H 1 0.665 0.000 A 50 LEU HG H 1 1.540 0.000 A 50 LEU C C 13 174.153 0.000 A 50 LEU CA C 13 52.580 0.000 A 50 LEU CB C 13 39.994 0.000 A 50 LEU CDy C 13 22.700 0.000 A 50 LEU CDx C 13 19.630 0.000 A 50 LEU CG C 13 23.600 0.000 A 50 LEU N N 15 118.727 0.000 A 51 GLY H H 1 7.698 0.000 A 51 GLY HAy H 1 3.856 0.000 A 51 GLY HAx H 1 3.772 0.000 A 51 GLY C C 13 171.597 0.000 A 51 GLY CA C 13 43.400 0.000 A 51 GLY N N 15 108.894 0.000 A 52 LEU H H 1 7.661 0.000 A 52 LEU HA H 1 4.638 0.000 A 52 LEU HBy H 1 1.532 0.000 A 52 LEU HBx H 1 1.234 0.000 A 52 LEU HDx% H 1 0.840 0.000 A 52 LEU HDy% H 1 0.870 0.000 A 52 LEU HG H 1 1.390 0.000 A 52 LEU C C 13 172.244 0.000 A 52 LEU CA C 13 50.261 0.000 A 52 LEU CB C 13 42.411 0.000 A 52 LEU CDy C 13 23.820 0.000 A 52 LEU CDx C 13 20.315 0.000 A 52 LEU CG C 13 23.800 0.000 A 52 LEU N N 15 119.252 0.000 A 53 ASP H H 1 8.127 0.000 A 53 ASP HA H 1 4.658 0.000 A 53 ASP HBy H 1 2.792 0.000 A 53 ASP HBx H 1 2.607 0.000 A 53 ASP C C 13 174.204 0.000 A 53 ASP CA C 13 50.435 0.000 A 53 ASP CB C 13 40.206 0.000 A 53 ASP N N 15 121.433 0.000 A 54 ILE H H 1 8.788 0.000 A 54 ILE HA H 1 3.797 0.000 A 54 ILE HB H 1 1.814 0.000 A 54 ILE HD1% H 1 0.795 0.000 A 54 ILE HG1x H 1 1.308 0.000 A 54 ILE HG1y H 1 1.739 0.000 A 54 ILE HG2% H 1 0.754 0.000 A 54 ILE C C 13 176.613 0.000 A 54 ILE CA C 13 62.133 0.000 A 54 ILE CB C 13 35.036 0.000 A 54 ILE CD1 C 13 10.156 0.000 A 54 ILE CG1 C 13 27.133 0.000 A 54 ILE CG2 C 13 14.318 0.000 A 54 ILE N N 15 125.804 0.000 A 55 GLU H H 1 8.945 0.000 A 55 GLU HA H 1 4.009 0.000 A 55 GLU HBy H 1 2.160 0.000 A 55 GLU HBx H 1 2.053 0.000 A 55 GLU HGx H 1 2.273 0.000 A 55 GLU HGy H 1 2.273 0.000 A 55 GLU C C 13 176.730 0.000 A 55 GLU CA C 13 57.998 0.000 A 55 GLU CB C 13 25.895 0.000 A 55 GLU CG C 13 33.600 0.000 A 55 GLU N N 15 125.797 0.000 A 56 THR H H 1 8.240 0.000 A 56 THR HA H 1 3.817 0.000 A 56 THR HB H 1 4.214 0.000 A 56 THR HG2% H 1 1.240 0.000 A 56 THR C C 13 174.617 0.000 A 56 THR CA C 13 63.766 0.000 A 56 THR CB C 13 65.452 0.000 A 56 THR CG2 C 13 18.900 0.000 A 56 THR N N 15 117.286 0.000 A 57 ALA H H 1 8.121 0.000 A 57 ALA HA H 1 4.230 0.000 A 57 ALA HB% H 1 1.490 0.000 A 57 ALA C C 13 176.346 0.000 A 57 ALA CA C 13 52.650 0.000 A 57 ALA CB C 13 17.400 0.000 A 57 ALA N N 15 125.072 0.000 A 58 THR H H 1 8.381 0.000 A 58 THR HA H 1 3.632 0.000 A 58 THR HB H 1 4.410 0.000 A 58 THR C C 13 172.862 0.000 A 58 THR CA C 13 65.100 0.000 A 58 THR CB C 13 66.100 0.000 A 58 THR CG2 C 13 18.315 0.000 A 58 THR N N 15 115.752 0.000 A 59 ARG H H 1 7.245 0.000 A 59 ARG HA H 1 3.911 0.000 A 59 ARG HBx H 1 1.858 0.000 A 59 ARG C C 13 176.099 0.000 A 59 ARG CA C 13 56.616 0.000 A 59 ARG CB C 13 27.022 0.000 A 59 ARG CD C 13 40.910 0.000 A 59 ARG CG C 13 25.085 0.000 A 59 ARG N N 15 120.537 0.000 A 60 ALA H H 1 7.489 0.000 A 60 ALA HA H 1 4.120 0.000 A 60 ALA HB% H 1 1.370 0.000 A 60 ALA C C 13 178.745 0.000 A 60 ALA CA C 13 52.000 0.000 A 60 ALA CB C 13 15.824 0.000 A 60 ALA N N 15 121.996 0.000 A 61 GLY H H 1 8.721 0.000 A 61 GLY HAy H 1 3.839 0.000 A 61 GLY HAx H 1 3.353 0.000 A 61 GLY C C 13 171.515 0.000 A 61 GLY CA C 13 43.797 0.000 A 61 GLY N N 15 108.024 0.000 A 62 LYS H H 1 7.683 0.000 A 62 LYS HA H 1 1.780 0.000 A 62 LYS HBy H 1 1.654 0.000 A 62 LYS HBx H 1 1.149 0.000 A 62 LYS HDx H 1 0.623 0.000 A 62 LYS HDy H 1 0.828 0.000 A 62 LYS HEy H 1 1.514 0.000 A 62 LYS HEx H 1 1.459 0.000 A 62 LYS HGx H 1 2.867 0.000 A 62 LYS HGy H 1 2.867 0.000 A 62 LYS C C 13 174.612 0.000 A 62 LYS CA C 13 56.683 0.000 A 62 LYS CB C 13 29.920 0.000 A 62 LYS CD C 13 21.545 0.000 A 62 LYS CE C 13 26.924 0.000 A 62 LYS CG C 13 39.427 0.000 A 62 LYS N N 15 123.393 0.000 A 63 GLN H H 1 6.637 0.000 A 63 GLN HA H 1 3.920 0.000 A 63 GLN HBx H 1 2.060 0.000 A 63 GLN HBy H 1 2.060 0.000 A 63 GLN HGx H 1 2.280 0.000 A 63 GLN HGy H 1 2.400 0.000 A 63 GLN C C 13 176.294 0.000 A 63 GLN CA C 13 55.604 0.000 A 63 GLN CB C 13 25.557 0.000 A 63 GLN CG C 13 31.173 0.000 A 63 GLN N N 15 114.582 0.000 A 64 ILE H H 1 7.092 0.000 A 64 ILE HA H 1 3.571 0.000 A 64 ILE HB H 1 1.718 0.000 A 64 ILE HD1% H 1 0.925 0.000 A 64 ILE HG1x H 1 0.973 0.000 A 64 ILE HG1y H 1 1.759 0.000 A 64 ILE HG2% H 1 0.843 0.000 A 64 ILE C C 13 175.402 0.000 A 64 ILE CA C 13 62.529 0.000 A 64 ILE CB C 13 36.198 0.000 A 64 ILE CD1 C 13 11.474 0.000 A 64 ILE CG1 C 13 25.732 0.000 A 64 ILE CG2 C 13 14.524 0.000 A 64 ILE N N 15 119.051 0.000 A 65 VAL H H 1 8.103 0.000 A 65 VAL HA H 1 3.386 0.000 A 65 VAL HB H 1 1.964 0.000 A 65 VAL HGx% H 1 0.980 0.000 A 65 VAL HGy% H 1 0.946 0.000 A 65 VAL C C 13 174.546 0.000 A 65 VAL CA C 13 64.500 0.000 A 65 VAL CB C 13 28.300 0.000 A 65 VAL CGy C 13 21.900 0.000 A 65 VAL CGx C 13 18.460 0.000 A 65 VAL N N 15 118.800 0.000 A 66 GLU H H 1 8.654 0.000 A 66 GLU HA H 1 3.810 0.000 A 66 GLU HBy H 1 2.019 0.000 A 66 GLU HBx H 1 1.832 0.000 A 66 GLU HGy H 1 2.364 0.000 A 66 GLU HGx H 1 2.064 0.000 A 66 GLU C C 13 176.292 0.000 A 66 GLU CA C 13 57.618 0.000 A 66 GLU CB C 13 26.391 0.000 A 66 GLU CG C 13 34.591 0.000 A 66 GLU N N 15 118.966 0.000 A 67 ARG H H 1 7.270 0.000 A 67 ARG HA H 1 3.990 0.000 A 67 ARG HBy H 1 1.991 0.000 A 67 ARG HBx H 1 1.873 0.000 A 67 ARG C C 13 176.039 0.000 A 67 ARG CA C 13 56.996 0.000 A 67 ARG CB C 13 26.783 0.000 A 67 ARG CD C 13 40.910 0.000 A 67 ARG CG C 13 24.690 0.000 A 67 ARG N N 15 118.499 0.000 A 68 ILE H H 1 7.569 0.000 A 68 ILE HA H 1 3.721 0.000 A 68 ILE HB H 1 2.010 0.000 A 68 ILE HD1% H 1 0.795 0.000 A 68 ILE HG1x H 1 1.075 0.000 A 68 ILE HG1y H 1 1.752 0.000 A 68 ILE HG2% H 1 0.824 0.000 A 68 ILE C C 13 176.061 0.000 A 68 ILE CA C 13 61.970 0.000 A 68 ILE CB C 13 35.254 0.000 A 68 ILE CD1 C 13 10.980 0.000 A 68 ILE CG1 C 13 26.474 0.000 A 68 ILE CG2 C 13 14.483 0.000 A 68 ILE N N 15 120.031 0.000 A 69 LEU H H 1 8.305 0.000 A 69 LEU HA H 1 4.127 0.000 A 69 LEU HBy H 1 1.822 0.000 A 69 LEU HBx H 1 1.659 0.000 A 69 LEU HDx% H 1 0.918 0.000 A 69 LEU HDy% H 1 0.980 0.000 A 69 LEU HG H 1 1.930 0.000 A 69 LEU C C 13 176.859 0.000 A 69 LEU CA C 13 54.525 0.000 A 69 LEU CB C 13 38.150 0.000 A 69 LEU CDy C 13 22.800 0.000 A 69 LEU CDx C 13 20.481 0.000 A 69 LEU CG C 13 24.537 0.000 A 69 LEU N N 15 118.859 0.000 A 70 LYS H H 1 7.748 0.000 A 70 LYS HA H 1 4.098 0.000 A 70 LYS HBy H 1 1.904 0.000 A 70 LYS HBx H 1 1.900 0.000 A 70 LYS HDy H 1 1.525 0.000 A 70 LYS HDx H 1 1.451 0.000 A 70 LYS HEx H 1 1.624 0.000 A 70 LYS HEy H 1 1.624 0.000 A 70 LYS HGx H 1 2.899 0.000 A 70 LYS HGy H 1 2.899 0.000 A 70 LYS C C 13 175.484 0.000 A 70 LYS CA C 13 55.580 0.000 A 70 LYS CB C 13 29.700 0.000 A 70 LYS CD C 13 22.354 0.000 A 70 LYS CE C 13 26.240 0.000 A 70 LYS CG C 13 39.173 0.000 A 70 LYS N N 15 119.685 0.000 A 71 GLU H H 1 7.644 0.000 A 71 GLU HA H 1 4.175 0.000 A 71 GLU HBx H 1 2.042 0.000 A 71 GLU HBy H 1 2.100 0.000 A 71 GLU HGy H 1 2.467 0.000 A 71 GLU HGx H 1 2.254 0.000 A 71 GLU C C 13 174.094 0.000 A 71 GLU CA C 13 54.411 0.000 A 71 GLU CB C 13 27.038 0.000 A 71 GLU CG C 13 33.602 0.000 A 71 GLU N N 15 118.055 0.000 A 72 GLU H H 1 7.603 0.000 A 72 GLU HA H 1 4.164 0.000 A 72 GLU HBx H 1 1.825 0.000 A 72 GLU HBy H 1 2.115 0.000 A 72 GLU HGy H 1 2.467 0.000 A 72 GLU HGx H 1 2.276 0.000 A 72 GLU C C 13 172.677 0.000 A 72 GLU CA C 13 53.047 0.000 A 72 GLU CB C 13 25.297 0.000 A 72 GLU CG C 13 31.500 0.000 A 72 GLU N N 15 118.922 0.000 A 73 SER H H 1 7.694 0.000 A 73 SER HA H 1 4.230 0.000 A 73 SER HBx H 1 3.827 0.000 A 73 SER HBy H 1 3.827 0.000 A 73 SER CA C 13 57.391 0.000 A 73 SER CB C 13 62.075 0.000 A 73 SER N N 15 122.295 0.000 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 save_