data_nef_c15746_2jpf 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_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 -20 MET start . . 2 A -19 GLY middle . false 3 A -18 SER middle . . 4 A -17 SER middle . . 5 A -16 HIS middle . . 6 A -15 HIS middle . . 7 A -14 HIS middle . . 8 A -13 HIS middle . . 9 A -12 HIS middle . . 10 A -11 HIS middle . . 11 A -10 SER middle . . 12 A -9 SER middle . . 13 A -8 GLY middle . false 14 A -7 ARG middle . . 15 A -6 GLU middle . . 16 A -5 ASN middle . . 17 A -4 LEU middle . . 18 A -3 TYR middle . . 19 A -2 PHE middle . . 20 A -1 GLN middle . . 21 A 0 GLY middle . false 22 A 1 LYS middle . . 23 A 2 GLN middle . . 24 A 3 GLN middle . . 25 A 4 LEU middle . . 26 A 5 GLN middle . . 27 A 6 GLU middle . . 28 A 7 HIS middle . . 29 A 8 ALA middle . . 30 A 9 PRO middle . false 31 A 10 SER middle . . 32 A 11 HIS middle . . 33 A 12 ALA middle . . 34 A 13 ASN middle . . 35 A 14 LEU middle . . 36 A 15 ASP middle . . 37 A 16 VAL middle . . 38 A 17 LYS middle . . 39 A 18 TRP middle . . 40 A 19 LEU middle . . 41 A 20 ASP middle . . 42 A 21 GLY middle . false 43 A 22 LEU middle . . 44 A 23 ARG middle . . 45 A 24 ALA middle . . 46 A 25 GLY middle . false 47 A 26 SER middle . . 48 A 27 MET middle . . 49 A 28 ALA middle . . 50 A 29 LEU middle . . 51 A 30 GLN middle . . 52 A 31 GLY middle . false 53 A 32 ASP middle . . 54 A 33 VAL middle . . 55 A 34 LYS middle . . 56 A 35 VAL middle . . 57 A 36 TRP middle . . 58 A 37 MET middle . . 59 A 38 GLN middle . . 60 A 39 ASN middle . . 61 A 40 LEU middle . . 62 A 41 GLU middle . . 63 A 42 ASP middle . . 64 A 43 LEU middle . . 65 A 44 HIS middle . . 66 A 45 THR middle . . 67 A 46 ARG middle . . 68 A 47 ARG middle . . 69 A 48 PRO middle . false 70 A 49 ASP middle . . 71 A 50 GLU middle . . 72 A 51 PHE middle . . 73 A 52 THR middle . . 74 A 53 ALA middle . . 75 A 54 ARG middle . . 76 A 55 LEU middle . . 77 A 56 GLN middle . . 78 A 57 GLN middle . . 79 A 58 SER middle . . 80 A 59 THR middle . . 81 A 60 ASP middle . . 82 A 61 ALA middle . . 83 A 62 LEU middle . . 84 A 63 TYR middle . . 85 A 64 SER middle . . 86 A 65 HIS middle . . 87 A 66 LEU middle . . 88 A 67 GLU middle . . 89 A 68 ALA middle . . 90 A 69 GLN middle . . 91 A 70 TRP middle . . 92 A 71 ALA middle . . 93 A 72 LYS middle . . 94 A 73 GLN middle . . 95 A 74 HIS middle . . 96 A 75 GLY middle . false 97 A 76 THR middle . . 98 A 77 PRO middle . false 99 A 78 PRO middle . false 100 A 79 THR middle . . 101 A 80 ALA middle . . 102 A 81 SER middle . . 103 A 82 ASP middle . . 104 A 83 VAL middle . . 105 A 84 VAL middle . . 106 A 85 GLY middle . false 107 A 86 MET middle . . 108 A 87 PRO middle . false 109 A 88 GLN middle . . 110 A 89 TRP middle . . 111 A 90 GLN middle . . 112 A 91 GLU middle . . 113 A 92 TYR middle . . 114 A 93 THR middle . . 115 A 94 ALA middle . . 116 A 95 MET middle . . 117 A 96 LEU middle . . 118 A 97 ARG middle . . 119 A 98 GLU middle . . 120 A 99 ARG middle . . 121 A 100 PHE middle . . 122 A 101 ALA middle . . 123 A 102 GLY middle . false 124 A 103 LEU middle . . 125 A 104 ASP middle . . 126 A 105 THR middle . . 127 A 106 ILE 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 11 HIS HA H 1 4.720 . A 11 HIS HBy H 1 3.460 . A 11 HIS HBx H 1 2.990 . A 11 HIS C C 13 174.820 . A 11 HIS CA C 13 57.520 . A 11 HIS CB C 13 29.250 . A 12 ALA H H 1 8.053 . A 12 ALA HA H 1 4.530 . A 12 ALA HB% H 1 1.419 . A 12 ALA C C 13 177.476 . A 12 ALA CA C 13 53.867 . A 12 ALA CB C 13 19.440 . A 12 ALA N N 15 121.518 . A 13 ASN H H 1 7.823 . A 13 ASN HA H 1 4.930 . A 13 ASN HBy H 1 2.502 . A 13 ASN HBx H 1 2.323 . A 13 ASN C C 13 173.227 . A 13 ASN CA C 13 50.688 . A 13 ASN CB C 13 40.950 . A 13 ASN N N 15 113.909 . A 14 LEU H H 1 7.322 . A 14 LEU CA C 13 55.279 . A 14 LEU CB C 13 42.780 . A 14 LEU N N 15 122.011 . A 15 ASP HA H 1 3.711 . A 15 ASP HBx H 1 2.342 . A 15 ASP HBy H 1 2.884 . A 15 ASP C C 13 176.640 . A 15 ASP CA C 13 49.720 . A 15 ASP CB C 13 40.783 . A 16 VAL H H 1 7.964 . A 16 VAL HA H 1 3.298 . A 16 VAL HB H 1 1.375 . A 16 VAL HG11 H 1 0.554 . A 16 VAL HGx% H 1 0.554 . A 16 VAL HGy% H 1 0.405 . A 16 VAL C C 13 177.884 . A 16 VAL CA C 13 64.434 . A 16 VAL CB C 13 29.252 . A 16 VAL CGy C 13 21.238 . A 16 VAL CGx C 13 17.888 . A 16 VAL N N 15 119.924 . A 17 LYS H H 1 8.345 . A 17 LYS HA H 1 3.950 . A 17 LYS HBy H 1 1.616 . A 17 LYS HBx H 1 1.379 . A 17 LYS HDx H 1 1.829 . A 17 LYS HDy H 1 2.110 . A 17 LYS HEy H 1 2.992 . A 17 LYS HEx H 1 2.849 . A 17 LYS HGx H 1 1.345 . A 17 LYS HGy H 1 1.628 . A 17 LYS C C 13 175.353 . A 17 LYS CA C 13 58.493 . A 17 LYS CB C 13 31.296 . A 17 LYS CD C 13 28.800 . A 17 LYS CE C 13 41.670 . A 17 LYS CG C 13 25.150 . A 17 LYS N N 15 121.929 . A 18 TRP H H 1 7.823 . A 18 TRP HA H 1 3.363 . A 18 TRP HBy H 1 3.078 . A 18 TRP HBx H 1 2.500 . A 18 TRP HE1 H 1 9.962 . A 18 TRP HH2 H 1 6.540 . A 18 TRP HZ3 H 1 5.621 . A 18 TRP C C 13 177.190 . A 18 TRP CA C 13 57.500 . A 18 TRP CB C 13 29.092 . A 18 TRP N N 15 119.097 . A 18 TRP NE1 N 15 128.551 . A 19 LEU H H 1 7.380 . A 19 LEU HA H 1 2.846 . A 19 LEU HBy H 1 0.989 . A 19 LEU HBx H 1 0.091 . A 19 LEU HDx% H 1 0.434 . A 19 LEU HDy% H 1 0.081 . A 19 LEU HG H 1 1.190 . A 19 LEU C C 13 177.971 . A 19 LEU CA C 13 54.294 . A 19 LEU CB C 13 41.921 . A 19 LEU CD1 C 13 23.400 . A 19 LEU CD2 C 13 22.400 . A 19 LEU CG C 13 23.500 . A 19 LEU N N 15 113.338 . A 20 ASP H H 1 7.328 . A 20 ASP CA C 13 56.040 . A 20 ASP CB C 13 41.058 . A 20 ASP N N 15 120.348 . A 21 GLY HAx H 1 3.840 . A 21 GLY HAy H 1 4.041 . A 21 GLY C C 13 174.526 . A 21 GLY CA C 13 46.080 . A 22 LEU H H 1 7.339 . A 22 LEU HA H 1 4.304 . A 22 LEU HBx H 1 1.570 . A 22 LEU HBy H 1 1.630 . A 22 LEU HDx% H 1 0.915 . A 22 LEU HDy% H 1 0.792 . A 22 LEU HG H 1 0.992 . A 22 LEU C C 13 177.781 . A 22 LEU CA C 13 54.960 . A 22 LEU CB C 13 42.688 . A 22 LEU CD1 C 13 23.344 . A 22 LEU CD2 C 13 25.350 . A 22 LEU CG C 13 26.451 . A 22 LEU N N 15 119.728 . A 23 ARG H H 1 8.527 . A 23 ARG CA C 13 55.810 . A 23 ARG N N 15 123.551 . A 24 ALA HA H 1 4.304 . A 24 ALA HB% H 1 1.404 . A 24 ALA C C 13 178.664 . A 24 ALA CA C 13 54.246 . A 24 ALA CB C 13 19.510 . A 25 GLY H H 1 9.229 . A 25 GLY HAx H 1 3.731 . A 25 GLY HAy H 1 4.305 . A 25 GLY C C 13 175.668 . A 25 GLY CA C 13 45.803 . A 25 GLY N N 15 113.765 . A 26 SER H H 1 7.902 . A 26 SER HA H 1 4.290 . A 26 SER HBx H 1 4.028 . A 26 SER HBy H 1 4.059 . A 26 SER C C 13 175.694 . A 26 SER CA C 13 57.500 . A 26 SER CB C 13 64.507 . A 26 SER N N 15 114.202 . A 27 MET H H 1 9.124 . A 27 MET HA H 1 3.899 . A 27 MET HBy H 1 2.489 . A 27 MET HBx H 1 2.358 . A 27 MET HE% H 1 1.857 . A 27 MET HGx H 1 2.063 . A 27 MET C C 13 176.942 . A 27 MET CA C 13 61.300 . A 27 MET CB C 13 31.175 . A 27 MET CE C 13 17.560 . A 27 MET N N 15 126.592 . A 28 ALA H H 1 8.462 . A 28 ALA HA H 1 4.209 . A 28 ALA HB% H 1 1.291 . A 28 ALA CA C 13 53.858 . A 28 ALA CB C 13 22.430 . A 28 ALA N N 15 115.162 . A 29 LEU HA H 1 4.238 . A 29 LEU HBx H 1 1.604 . A 29 LEU HDx% H 1 0.903 . A 29 LEU HG H 1 1.276 . A 29 LEU CA C 13 53.680 . A 29 LEU CB C 13 42.902 . A 29 LEU CD1 C 13 22.900 . A 29 LEU CG C 13 25.380 . A 30 GLN H H 1 7.594 . A 30 GLN CA C 13 57.520 . A 30 GLN CB C 13 27.820 . A 30 GLN N N 15 125.370 . A 31 GLY HAy H 1 3.838 . A 31 GLY HAx H 1 3.470 . A 31 GLY C C 13 175.578 . A 31 GLY CA C 13 47.770 . A 32 ASP H H 1 7.733 . A 32 ASP HA H 1 4.514 . A 32 ASP HBy H 1 2.774 . A 32 ASP HBx H 1 2.670 . A 32 ASP C C 13 177.406 . A 32 ASP CA C 13 56.550 . A 32 ASP CB C 13 38.826 . A 32 ASP N N 15 119.162 . A 33 VAL H H 1 8.065 . A 33 VAL HA H 1 3.780 . A 33 VAL HB H 1 2.630 . A 33 VAL HGx% H 1 1.175 . A 33 VAL HGy% H 1 1.224 . A 33 VAL C C 13 178.344 . A 33 VAL CA C 13 66.390 . A 33 VAL CB C 13 31.658 . A 33 VAL CGy C 13 23.626 . A 33 VAL CGx C 13 23.400 . A 33 VAL N N 15 122.058 . A 34 LYS H H 1 8.309 . A 34 LYS HA H 1 3.958 . A 34 LYS HBy H 1 1.820 . A 34 LYS HBx H 1 1.641 . A 34 LYS HDx H 1 1.522 . A 34 LYS HDy H 1 1.657 . A 34 LYS HEx H 1 2.933 . A 34 LYS HGy H 1 1.364 . A 34 LYS HGx H 1 1.334 . A 34 LYS C C 13 179.928 . A 34 LYS CA C 13 60.597 . A 34 LYS CB C 13 31.210 . A 34 LYS CD C 13 29.250 . A 34 LYS CE C 13 41.158 . A 34 LYS CG C 13 25.458 . A 34 LYS N N 15 118.042 . A 35 VAL H H 1 7.310 . A 35 VAL HA H 1 3.639 . A 35 VAL HB H 1 1.789 . A 35 VAL HGx% H 1 0.870 . A 35 VAL HGy% H 1 0.678 . A 35 VAL C C 13 177.953 . A 35 VAL CA C 13 66.466 . A 35 VAL CB C 13 32.131 . A 35 VAL CGx C 13 21.472 . A 35 VAL CGy C 13 21.502 . A 35 VAL N N 15 121.033 . A 36 TRP H H 1 8.465 . A 36 TRP HA H 1 4.780 . A 36 TRP HBy H 1 3.874 . A 36 TRP HBx H 1 3.551 . A 36 TRP C C 13 178.201 . A 36 TRP CA C 13 60.444 . A 36 TRP CB C 13 27.310 . A 36 TRP N N 15 122.970 . A 37 MET H H 1 8.990 . A 37 MET HA H 1 4.119 . A 37 MET HBx H 1 1.506 . A 37 MET HBy H 1 1.770 . A 37 MET HE% H 1 2.286 . A 37 MET HGx H 1 1.504 . A 37 MET HGy H 1 1.700 . A 37 MET C C 13 178.558 . A 37 MET CA C 13 57.520 . A 37 MET CB C 13 32.487 . A 37 MET CE C 13 15.613 . A 37 MET CG C 13 33.659 . A 37 MET N N 15 116.940 . A 38 GLN H H 1 7.916 . A 38 GLN HA H 1 4.027 . A 38 GLN HBy H 1 2.261 . A 38 GLN HBx H 1 2.220 . A 38 GLN HE2x H 1 6.898 . A 38 GLN HE2y H 1 7.537 . A 38 GLN HGy H 1 2.370 . A 38 GLN HGx H 1 2.270 . A 38 GLN C C 13 178.615 . A 38 GLN CA C 13 58.757 . A 38 GLN CB C 13 28.250 . A 38 GLN CG C 13 34.198 . A 38 GLN N N 15 119.897 . A 38 GLN NE2 N 15 113.475 . A 39 ASN H H 1 8.424 . A 39 ASN HA H 1 4.577 . A 39 ASN HBy H 1 3.240 . A 39 ASN HBx H 1 2.855 . A 39 ASN C C 13 178.826 . A 39 ASN CA C 13 56.067 . A 39 ASN CB C 13 37.123 . A 39 ASN N N 15 120.262 . A 40 LEU H H 1 8.434 . A 40 LEU HA H 1 4.041 . A 40 LEU HBy H 1 1.893 . A 40 LEU HBx H 1 1.330 . A 40 LEU HDx% H 1 0.507 . A 40 LEU HDy% H 1 0.132 . A 40 LEU HG H 1 1.140 . A 40 LEU C C 13 178.751 . A 40 LEU CA C 13 58.185 . A 40 LEU CB C 13 42.049 . A 40 LEU CD1 C 13 23.409 . A 40 LEU CD2 C 13 25.350 . A 40 LEU CG C 13 26.330 . A 40 LEU N N 15 121.680 . A 41 GLU H H 1 8.635 . A 41 GLU HA H 1 4.147 . A 41 GLU HBy H 1 2.283 . A 41 GLU HBx H 1 2.190 . A 41 GLU HGx H 1 2.440 . A 41 GLU HGy H 1 2.540 . A 41 GLU C C 13 178.869 . A 41 GLU CA C 13 59.470 . A 41 GLU CB C 13 29.252 . A 41 GLU CG C 13 37.058 . A 41 GLU N N 15 120.899 . A 42 ASP H H 1 8.035 . A 42 ASP HA H 1 4.528 . A 42 ASP HBx H 1 2.990 . A 42 ASP HBy H 1 3.072 . A 42 ASP C C 13 181.243 . A 42 ASP CA C 13 57.359 . A 42 ASP CB C 13 39.000 . A 42 ASP N N 15 119.354 . A 43 LEU H H 1 7.970 . A 43 LEU HA H 1 4.111 . A 43 LEU HBy H 1 2.077 . A 43 LEU HBx H 1 1.690 . A 43 LEU HDx% H 1 0.938 . A 43 LEU HDy% H 1 1.008 . A 43 LEU HG H 1 1.990 . A 43 LEU C C 13 178.067 . A 43 LEU CA C 13 57.431 . A 43 LEU CB C 13 43.198 . A 43 LEU CDx C 13 24.185 . A 43 LEU CDy C 13 26.426 . A 43 LEU CG C 13 26.330 . A 43 LEU N N 15 118.933 . A 44 HIS H H 1 8.543 . A 44 HIS HA H 1 3.356 . A 44 HIS HBy H 1 3.072 . A 44 HIS HBx H 1 2.490 . A 44 HIS HD2 H 1 7.210 . A 44 HIS C C 13 175.835 . A 44 HIS CA C 13 60.000 . A 44 HIS CB C 13 29.260 . A 44 HIS N N 15 118.398 . A 45 THR H H 1 7.485 . A 45 THR HA H 1 4.255 . A 45 THR HB H 1 4.037 . A 45 THR HG2% H 1 1.189 . A 45 THR C C 13 179.559 . A 45 THR CA C 13 66.290 . A 45 THR CB C 13 68.241 . A 45 THR CG2 C 13 21.974 . A 45 THR N N 15 107.198 . A 46 ARG H H 1 7.826 . A 46 ARG HA H 1 4.350 . A 46 ARG HBx H 1 1.842 . A 46 ARG HBy H 1 2.040 . A 46 ARG HDx H 1 3.235 . A 46 ARG HGx H 1 1.765 . A 46 ARG C C 13 177.246 . A 46 ARG CA C 13 58.548 . A 46 ARG CB C 13 32.877 . A 46 ARG CD C 13 43.802 . A 46 ARG CG C 13 27.983 . A 46 ARG N N 15 119.471 . A 47 ARG H H 1 9.002 . A 47 ARG HA H 1 4.850 . A 47 ARG HBx H 1 1.788 . A 47 ARG HBy H 1 1.987 . A 47 ARG HDy H 1 3.272 . A 47 ARG HDx H 1 3.123 . A 47 ARG HGx H 1 1.626 . A 47 ARG CA C 13 52.640 . A 47 ARG CB C 13 32.492 . A 47 ARG CD C 13 43.020 . A 47 ARG CG C 13 26.470 . A 47 ARG N N 15 118.477 . A 48 PRO HA H 1 4.170 . A 48 PRO HBx H 1 2.009 . A 48 PRO HDx H 1 4.010 . A 48 PRO HDy H 1 4.220 . A 48 PRO HGx H 1 2.290 . A 48 PRO C C 13 178.574 . A 48 PRO CA C 13 65.310 . A 48 PRO CB C 13 31.803 . A 48 PRO CD C 13 50.075 . A 48 PRO CG C 13 27.262 . A 49 ASP H H 1 8.812 . A 49 ASP HA H 1 4.510 . A 49 ASP HBy H 1 2.782 . A 49 ASP HBx H 1 2.681 . A 49 ASP C C 13 178.685 . A 49 ASP CA C 13 56.680 . A 49 ASP CB C 13 39.350 . A 49 ASP N N 15 116.009 . A 50 GLU H H 1 7.742 . A 50 GLU HA H 1 4.332 . A 50 GLU HBx H 1 2.170 . A 50 GLU HBy H 1 2.490 . A 50 GLU HGx H 1 2.280 . A 50 GLU HGy H 1 2.550 . A 50 GLU C C 13 177.975 . A 50 GLU CA C 13 58.340 . A 50 GLU CB C 13 29.906 . A 50 GLU CG C 13 36.566 . A 50 GLU N N 15 123.188 . A 51 PHE H H 1 8.068 . A 51 PHE HA H 1 3.890 . A 51 PHE HBy H 1 3.490 . A 51 PHE HBx H 1 2.760 . A 51 PHE C C 13 175.513 . A 51 PHE CA C 13 61.400 . A 51 PHE CB C 13 38.030 . A 51 PHE N N 15 120.133 . A 52 THR H H 1 8.228 . A 52 THR HA H 1 4.223 . A 52 THR HB H 1 3.512 . A 52 THR HG2% H 1 1.292 . A 52 THR C C 13 176.335 . A 52 THR CA C 13 68.241 . A 52 THR CB C 13 66.290 . A 52 THR CG2 C 13 21.460 . A 52 THR N N 15 114.849 . A 53 ALA H H 1 7.630 . A 53 ALA HA H 1 4.180 . A 53 ALA HB% H 1 1.521 . A 53 ALA C C 13 180.495 . A 53 ALA CA C 13 54.590 . A 53 ALA CB C 13 18.323 . A 53 ALA N N 15 123.628 . A 54 ARG H H 1 8.507 . A 54 ARG HA H 1 4.276 . A 54 ARG HBx H 1 1.998 . A 54 ARG HBy H 1 2.110 . A 54 ARG HDx H 1 3.100 . A 54 ARG HGy H 1 1.768 . A 54 ARG HGx H 1 1.633 . A 54 ARG C C 13 180.693 . A 54 ARG CA C 13 58.449 . A 54 ARG CB C 13 29.954 . A 54 ARG CD C 13 42.767 . A 54 ARG CG C 13 27.308 . A 54 ARG N N 15 118.287 . A 55 LEU H H 1 8.620 . A 55 LEU HA H 1 4.151 . A 55 LEU HBy H 1 1.511 . A 55 LEU HBx H 1 0.902 . A 55 LEU HD11 H 1 0.914 . A 55 LEU HDx% H 1 0.914 . A 55 LEU HDy% H 1 0.704 . A 55 LEU HG H 1 0.669 . A 55 LEU C C 13 179.683 . A 55 LEU CA C 13 57.520 . A 55 LEU CB C 13 41.560 . A 55 LEU CDy C 13 24.526 . A 55 LEU CDx C 13 24.388 . A 55 LEU CG C 13 26.869 . A 55 LEU N N 15 123.229 . A 56 GLN H H 1 8.379 . A 56 GLN HA H 1 4.039 . A 56 GLN HBx H 1 2.270 . A 56 GLN HGy H 1 2.694 . A 56 GLN HGx H 1 2.570 . A 56 GLN C C 13 177.933 . A 56 GLN CA C 13 58.490 . A 56 GLN CB C 13 28.268 . A 56 GLN CG C 13 33.805 . A 56 GLN N N 15 120.875 . A 57 GLN H H 1 8.097 . A 57 GLN HA H 1 4.175 . A 57 GLN HBx H 1 2.221 . A 57 GLN HBy H 1 2.349 . A 57 GLN HE2y H 1 7.432 . A 57 GLN HE2x H 1 6.728 . A 57 GLN HGy H 1 2.570 . A 57 GLN HGx H 1 2.410 . A 57 GLN C C 13 180.061 . A 57 GLN CA C 13 59.300 . A 57 GLN CB C 13 27.293 . A 57 GLN CG C 13 33.848 . A 57 GLN N N 15 118.316 . A 57 GLN NE2 N 15 110.750 . A 58 SER H H 1 8.121 . A 58 SER HA H 1 4.260 . A 58 SER HBx H 1 3.980 . A 58 SER C C 13 174.166 . A 58 SER CA C 13 62.203 . A 58 SER CB C 13 63.380 . A 58 SER N N 15 116.979 . A 59 THR H H 1 8.545 . A 59 THR HA H 1 3.900 . A 59 THR HB H 1 4.429 . A 59 THR HG2% H 1 1.632 . A 59 THR C C 13 175.797 . A 59 THR CA C 13 66.387 . A 59 THR CB C 13 68.200 . A 59 THR CG2 C 13 23.444 . A 59 THR N N 15 121.243 . A 60 ASP H H 1 8.641 . A 60 ASP HA H 1 4.543 . A 60 ASP HBx H 1 2.850 . A 60 ASP HBy H 1 2.999 . A 60 ASP C C 13 179.119 . A 60 ASP CA C 13 56.500 . A 60 ASP CB C 13 39.980 . A 60 ASP N N 15 121.822 . A 61 ALA H H 1 7.777 . A 61 ALA HA H 1 4.199 . A 61 ALA HB% H 1 1.514 . A 61 ALA C C 13 181.039 . A 61 ALA CA C 13 54.590 . A 61 ALA CB C 13 17.734 . A 61 ALA N N 15 122.807 . A 62 LEU H H 1 8.211 . A 62 LEU HA H 1 4.014 . A 62 LEU HBy H 1 1.888 . A 62 LEU HBx H 1 0.965 . A 62 LEU HDx% H 1 0.745 . A 62 LEU HDy% H 1 0.078 . A 62 LEU HG H 1 1.521 . A 62 LEU C C 13 177.842 . A 62 LEU CA C 13 58.022 . A 62 LEU CB C 13 40.589 . A 62 LEU CD1 C 13 22.509 . A 62 LEU CD2 C 13 25.004 . A 62 LEU CG C 13 26.514 . A 62 LEU N N 15 120.712 . A 63 TYR H H 1 9.128 . A 63 TYR HA H 1 3.659 . A 63 TYR HBx H 1 3.266 . A 63 TYR HBy H 1 3.266 . A 63 TYR HDx H 1 6.960 . A 63 TYR C C 13 177.490 . A 63 TYR CA C 13 63.107 . A 63 TYR CB C 13 38.298 . A 63 TYR N N 15 121.027 . A 64 SER H H 1 8.293 . A 64 SER HA H 1 4.481 . A 64 SER HBx H 1 4.051 . A 64 SER C C 13 177.396 . A 64 SER CA C 13 61.876 . A 64 SER CB C 13 62.390 . A 64 SER N N 15 111.888 . A 65 HIS H H 1 8.006 . A 65 HIS HA H 1 4.486 . A 65 HIS HBy H 1 3.500 . A 65 HIS HBx H 1 3.162 . A 65 HIS C C 13 177.801 . A 65 HIS CA C 13 59.470 . A 65 HIS CB C 13 32.057 . A 65 HIS N N 15 123.624 . A 66 LEU H H 1 8.722 . A 66 LEU HA H 1 3.923 . A 66 LEU HBy H 1 2.017 . A 66 LEU HBx H 1 1.787 . A 66 LEU HDx% H 1 0.974 . A 66 LEU HDy% H 1 1.182 . A 66 LEU HG H 1 1.819 . A 66 LEU C C 13 179.027 . A 66 LEU CA C 13 56.540 . A 66 LEU CB C 13 40.173 . A 66 LEU CDy C 13 21.837 . A 66 LEU CDx C 13 21.460 . A 66 LEU CG C 13 27.493 . A 66 LEU N N 15 120.518 . A 67 GLU H H 1 8.741 . A 67 GLU HA H 1 3.658 . A 67 GLU HBy H 1 2.110 . A 67 GLU HBx H 1 2.040 . A 67 GLU HGy H 1 2.122 . A 67 GLU HGx H 1 1.942 . A 67 GLU C C 13 178.446 . A 67 GLU CA C 13 59.423 . A 67 GLU CB C 13 30.656 . A 67 GLU CG C 13 37.458 . A 67 GLU N N 15 120.144 . A 68 ALA H H 1 7.537 . A 68 ALA HA H 1 4.186 . A 68 ALA HB% H 1 1.514 . A 68 ALA C C 13 181.000 . A 68 ALA CA C 13 53.660 . A 68 ALA CB C 13 17.560 . A 68 ALA N N 15 120.328 . A 69 GLN H H 1 8.148 . A 69 GLN HA H 1 3.933 . A 69 GLN HBy H 1 2.131 . A 69 GLN HBx H 1 2.034 . A 69 GLN HE2x H 1 7.002 . A 69 GLN HGy H 1 2.159 . A 69 GLN HGx H 1 1.857 . A 69 GLN C C 13 178.842 . A 69 GLN CA C 13 58.870 . A 69 GLN CB C 13 29.108 . A 69 GLN CG C 13 35.105 . A 69 GLN N N 15 119.971 . A 69 GLN NE2 N 15 111.805 . A 70 TRP H H 1 8.945 . A 70 TRP HA H 1 4.124 . A 70 TRP HBy H 1 3.583 . A 70 TRP HBx H 1 3.275 . A 70 TRP C C 13 179.367 . A 70 TRP CA C 13 62.353 . A 70 TRP CB C 13 28.833 . A 70 TRP N N 15 122.622 . A 71 ALA H H 1 8.289 . A 71 ALA HA H 1 4.037 . A 71 ALA HB% H 1 1.490 . A 71 ALA C C 13 181.237 . A 71 ALA CA C 13 54.560 . A 71 ALA CB C 13 18.339 . A 71 ALA N N 15 120.357 . A 72 LYS H H 1 7.963 . A 72 LYS HA H 1 4.012 . A 72 LYS HBy H 1 1.907 . A 72 LYS HBx H 1 1.785 . A 72 LYS HDx H 1 1.826 . A 72 LYS HDy H 1 2.009 . A 72 LYS HEy H 1 2.910 . A 72 LYS HEx H 1 2.850 . A 72 LYS HGx H 1 1.347 . A 72 LYS HGy H 1 1.407 . A 72 LYS C C 13 178.189 . A 72 LYS CA C 13 58.490 . A 72 LYS CB C 13 32.180 . A 72 LYS CD C 13 29.274 . A 72 LYS CE C 13 40.950 . A 72 LYS CG C 13 25.350 . A 72 LYS N N 15 119.384 . A 73 GLN H H 1 7.706 . A 73 GLN HA H 1 3.915 . A 73 GLN HBx H 1 1.520 . A 73 GLN HBy H 1 1.665 . A 73 GLN HE2x H 1 7.106 . A 73 GLN HGx H 1 1.954 . A 73 GLN HGy H 1 2.088 . A 73 GLN C C 13 177.471 . A 73 GLN CA C 13 57.572 . A 73 GLN CB C 13 29.250 . A 73 GLN CG C 13 32.180 . A 73 GLN N N 15 117.634 . A 73 GLN NE2 N 15 110.559 . A 74 HIS H H 1 8.254 . A 74 HIS HA H 1 4.490 . A 74 HIS HBy H 1 2.880 . A 74 HIS HBx H 1 2.350 . A 74 HIS HD2 H 1 7.025 . A 74 HIS C C 13 177.051 . A 74 HIS CA C 13 57.657 . A 74 HIS CB C 13 30.230 . A 74 HIS N N 15 113.953 . A 75 GLY H H 1 8.228 . A 75 GLY HAy H 1 4.185 . A 75 GLY HAx H 1 3.850 . A 75 GLY C C 13 173.020 . A 75 GLY CA C 13 45.830 . A 75 GLY N N 15 108.933 . A 76 THR H H 1 7.328 . A 76 THR HA H 1 4.879 . A 76 THR HB H 1 4.261 . A 76 THR HG2% H 1 1.270 . A 76 THR CA C 13 58.462 . A 76 THR CB C 13 70.142 . A 76 THR CG2 C 13 21.460 . A 76 THR N N 15 111.821 . A 77 PRO HA H 1 4.710 . A 77 PRO HDx H 1 3.977 . A 77 PRO CA C 13 57.520 . A 78 PRO HA H 1 3.960 . A 78 PRO HBy H 1 1.800 . A 78 PRO HBx H 1 0.822 . A 78 PRO HDy H 1 3.870 . A 78 PRO HDx H 1 3.750 . A 78 PRO HGy H 1 2.110 . A 78 PRO HGx H 1 1.532 . A 78 PRO C C 13 178.302 . A 78 PRO CA C 13 62.307 . A 78 PRO CB C 13 31.250 . A 78 PRO CD C 13 50.690 . A 78 PRO CG C 13 28.230 . A 79 THR H H 1 8.853 . A 79 THR HA H 1 4.430 . A 79 THR HB H 1 4.410 . A 79 THR HG2% H 1 1.170 . A 79 THR C C 13 180.708 . A 79 THR CA C 13 59.460 . A 79 THR CB C 13 71.481 . A 79 THR CG2 C 13 21.785 . A 79 THR N N 15 112.470 . A 80 ALA H H 1 8.619 . A 80 ALA HA H 1 4.197 . A 80 ALA HB% H 1 1.433 . A 80 ALA C C 13 179.431 . A 80 ALA CA C 13 55.473 . A 80 ALA CB C 13 18.047 . A 80 ALA N N 15 123.707 . A 81 SER H H 1 7.758 . A 81 SER HA H 1 3.981 . A 81 SER HBx H 1 3.650 . A 81 SER C C 13 176.695 . A 81 SER CA C 13 60.951 . A 81 SER CB C 13 62.499 . A 81 SER N N 15 109.241 . A 82 ASP H H 1 7.140 . A 82 ASP HA H 1 3.930 . A 82 ASP HBy H 1 1.858 . A 82 ASP HBx H 1 0.733 . A 82 ASP C C 13 177.682 . A 82 ASP CA C 13 56.999 . A 82 ASP CB C 13 39.990 . A 82 ASP N N 15 121.428 . A 83 VAL H H 1 6.944 . A 83 VAL HA H 1 3.150 . A 83 VAL HB H 1 1.480 . A 83 VAL HGx% H 1 0.305 . A 83 VAL HGy% H 1 -0.126 . A 83 VAL C C 13 177.793 . A 83 VAL CA C 13 66.298 . A 83 VAL CB C 13 30.230 . A 83 VAL CGy C 13 22.430 . A 83 VAL CGx C 13 21.501 . A 83 VAL N N 15 118.617 . A 84 VAL H H 1 7.511 . A 84 VAL HA H 1 3.665 . A 84 VAL HB H 1 2.116 . A 84 VAL HGx% H 1 0.810 . A 84 VAL HGy% H 1 0.570 . A 84 VAL C C 13 177.175 . A 84 VAL CA C 13 62.420 . A 84 VAL CB C 13 31.210 . A 84 VAL CG1 C 13 19.500 . A 84 VAL CG2 C 13 20.400 . A 84 VAL N N 15 109.923 . A 85 GLY H H 1 7.120 . A 85 GLY HAy H 1 4.280 . A 85 GLY HAx H 1 3.756 . A 85 GLY C C 13 175.453 . A 85 GLY CA C 13 44.761 . A 85 GLY N N 15 104.382 . A 86 MET H H 1 8.145 . A 86 MET HA H 1 4.701 . A 86 MET HBx H 1 2.487 . A 86 MET HBy H 1 2.726 . A 86 MET HE% H 1 2.403 . A 86 MET HGx H 1 2.810 . A 86 MET HGy H 1 3.530 . A 86 MET CA C 13 54.600 . A 86 MET CB C 13 32.180 . A 86 MET CE C 13 17.560 . A 86 MET CG C 13 33.150 . A 86 MET N N 15 123.663 . A 87 PRO HA H 1 4.448 . A 87 PRO HBy H 1 2.505 . A 87 PRO HBx H 1 2.182 . A 87 PRO HDx H 1 4.030 . A 87 PRO HDy H 1 4.200 . A 87 PRO HGx H 1 2.047 . A 87 PRO HGy H 1 2.310 . A 87 PRO C C 13 179.659 . A 87 PRO CA C 13 66.110 . A 87 PRO CB C 13 32.200 . A 87 PRO CD C 13 50.690 . A 87 PRO CG C 13 27.310 . A 88 GLN H H 1 9.505 . A 88 GLN HA H 1 4.320 . A 88 GLN HBy H 1 2.222 . A 88 GLN HBx H 1 1.998 . A 88 GLN HE2x H 1 7.041 . A 88 GLN HE2y H 1 7.080 . A 88 GLN HGx H 1 2.560 . A 88 GLN HGy H 1 2.743 . A 88 GLN C C 13 178.592 . A 88 GLN CA C 13 60.300 . A 88 GLN CB C 13 29.254 . A 88 GLN CG C 13 36.070 . A 88 GLN N N 15 115.532 . A 88 GLN NE2 N 15 110.975 . A 89 TRP H H 1 7.480 . A 89 TRP HA H 1 4.320 . A 89 TRP HBy H 1 3.635 . A 89 TRP HBx H 1 3.261 . A 89 TRP HE1 H 1 10.399 . A 89 TRP C C 13 179.017 . A 89 TRP CA C 13 60.530 . A 89 TRP CB C 13 29.606 . A 89 TRP N N 15 118.856 . A 89 TRP NE1 N 15 129.567 . A 90 GLN H H 1 7.894 . A 90 GLN HA H 1 4.072 . A 90 GLN HBx H 1 1.908 . A 90 GLN HE2y H 1 7.889 . A 90 GLN HE2x H 1 7.041 . A 90 GLN C C 13 178.922 . A 90 GLN CA C 13 59.040 . A 90 GLN CB C 13 28.352 . A 90 GLN CG C 13 34.009 . A 90 GLN N N 15 117.947 . A 90 GLN NE2 N 15 113.180 . A 91 GLU H H 1 8.642 . A 91 GLU HA H 1 4.110 . A 91 GLU HBx H 1 2.286 . A 91 GLU HGx H 1 2.450 . A 91 GLU HGy H 1 2.540 . A 91 GLU C C 13 178.210 . A 91 GLU CA C 13 59.460 . A 91 GLU CB C 13 30.200 . A 91 GLU CG C 13 36.970 . A 91 GLU N N 15 120.666 . A 92 TYR H H 1 7.965 . A 92 TYR HA H 1 4.304 . A 92 TYR HBy H 1 2.947 . A 92 TYR HBx H 1 2.843 . A 92 TYR HDx H 1 7.200 . A 92 TYR HEx H 1 7.280 . A 92 TYR C C 13 176.589 . A 92 TYR CA C 13 60.444 . A 92 TYR CB C 13 39.401 . A 92 TYR N N 15 122.211 . A 93 THR H H 1 8.215 . A 93 THR HA H 1 3.452 . A 93 THR HB H 1 4.039 . A 93 THR HG2% H 1 0.845 . A 93 THR C C 13 177.186 . A 93 THR CA C 13 65.310 . A 93 THR CB C 13 68.820 . A 93 THR CG2 C 13 21.460 . A 93 THR N N 15 110.139 . A 94 ALA H H 1 7.885 . A 94 ALA HA H 1 4.041 . A 94 ALA HB% H 1 1.523 . A 94 ALA C C 13 179.977 . A 94 ALA CA C 13 55.570 . A 94 ALA CB C 13 18.330 . A 94 ALA N N 15 123.698 . A 95 MET H H 1 8.075 . A 95 MET HA H 1 4.040 . A 95 MET HBx H 1 2.139 . A 95 MET HBy H 1 2.479 . A 95 MET HGy H 1 2.344 . A 95 MET HGx H 1 1.943 . A 95 MET C C 13 178.974 . A 95 MET CA C 13 58.792 . A 95 MET CB C 13 32.903 . A 95 MET CG C 13 31.604 . A 95 MET N N 15 119.371 . A 96 LEU H H 1 7.647 . A 96 LEU HA H 1 3.959 . A 96 LEU HBy H 1 1.729 . A 96 LEU HBx H 1 1.276 . A 96 LEU HDx% H 1 0.440 . A 96 LEU HDy% H 1 0.679 . A 96 LEU HG H 1 1.382 . A 96 LEU C C 13 178.693 . A 96 LEU CA C 13 57.899 . A 96 LEU CB C 13 41.930 . A 96 LEU CD1 C 13 25.400 . A 96 LEU CD2 C 13 22.400 . A 96 LEU CG C 13 26.330 . A 96 LEU N N 15 119.335 . A 97 ARG H H 1 8.095 . A 97 ARG HA H 1 4.071 . A 97 ARG HBy H 1 1.850 . A 97 ARG HBx H 1 1.833 . A 97 ARG HDy H 1 3.205 . A 97 ARG HDx H 1 3.140 . A 97 ARG HGx H 1 1.632 . A 97 ARG HGy H 1 1.844 . A 97 ARG C C 13 178.202 . A 97 ARG CA C 13 59.225 . A 97 ARG CB C 13 30.348 . A 97 ARG CD C 13 43.661 . A 97 ARG CG C 13 28.402 . A 97 ARG N N 15 117.789 . A 98 GLU H H 1 7.698 . A 98 GLU HA H 1 4.000 . A 98 GLU HBy H 1 2.054 . A 98 GLU HBx H 1 1.964 . A 98 GLU HGy H 1 2.312 . A 98 GLU HGx H 1 2.164 . A 98 GLU C C 13 177.485 . A 98 GLU CA C 13 57.530 . A 98 GLU CB C 13 29.763 . A 98 GLU CG C 13 36.379 . A 98 GLU N N 15 116.370 . A 99 ARG H H 1 7.115 . A 99 ARG HA H 1 3.902 . A 99 ARG HBx H 1 0.951 . A 99 ARG HBy H 1 1.239 . A 99 ARG HDy H 1 3.018 . A 99 ARG HDx H 1 2.872 . A 99 ARG HGx H 1 0.573 . A 99 ARG HGy H 1 1.033 . A 99 ARG C C 13 176.220 . A 99 ARG CA C 13 55.570 . A 99 ARG CB C 13 31.018 . A 99 ARG CD C 13 41.941 . A 99 ARG CG C 13 26.561 . A 99 ARG N N 15 117.302 . A 100 PHE H H 1 7.999 . A 100 PHE HA H 1 4.705 . A 100 PHE HBy H 1 2.930 . A 100 PHE HBx H 1 2.703 . A 100 PHE HDx H 1 6.937 . A 100 PHE C C 13 174.407 . A 100 PHE CA C 13 54.590 . A 100 PHE CB C 13 40.950 . A 100 PHE N N 15 117.624 . A 101 ALA H H 1 7.968 . A 101 ALA HA H 1 4.222 . A 101 ALA HB% H 1 1.327 . A 101 ALA C C 13 177.274 . A 101 ALA CA C 13 54.600 . A 101 ALA CB C 13 18.854 . A 101 ALA N N 15 124.490 . A 102 GLY H H 1 7.263 . A 102 GLY HAx H 1 3.941 . A 102 GLY HAy H 1 4.018 . A 102 GLY C C 13 174.828 . A 102 GLY CA C 13 45.628 . A 102 GLY N N 15 113.556 . A 103 LEU H H 1 7.874 . A 103 LEU HA H 1 4.387 . A 103 LEU HBy H 1 1.721 . A 103 LEU HBx H 1 1.610 . A 103 LEU HDx% H 1 0.832 . A 103 LEU HDy% H 1 0.834 . A 103 LEU HG H 1 1.629 . A 103 LEU C C 13 176.869 . A 103 LEU CA C 13 55.200 . A 103 LEU CB C 13 40.908 . A 103 LEU CDy C 13 25.480 . A 103 LEU CDx C 13 23.400 . A 103 LEU CG C 13 26.775 . A 103 LEU N N 15 121.428 . A 104 ASP H H 1 8.488 . A 104 ASP HA H 1 4.715 . A 104 ASP HBx H 1 2.705 . A 104 ASP HBy H 1 2.705 . A 104 ASP C C 13 176.451 . A 104 ASP CA C 13 54.808 . A 104 ASP CB C 13 41.381 . A 104 ASP N N 15 121.754 . A 105 THR H H 1 7.941 . A 105 THR HA H 1 4.348 . A 105 THR HB H 1 4.259 . A 105 THR HG2% H 1 1.180 . A 105 THR C C 13 173.512 . A 105 THR CA C 13 61.400 . A 105 THR CB C 13 70.160 . A 105 THR CG2 C 13 21.847 . A 105 THR N N 15 112.503 . A 106 ILE H H 1 7.618 . A 106 ILE HA H 1 4.096 . A 106 ILE HD1% H 1 0.833 . A 106 ILE CA C 13 63.016 . A 106 ILE CB C 13 39.983 . A 106 ILE CD1 C 13 13.664 . A 106 ILE N N 15 126.620 . stop_ save_ save_DYANA/DIANA_dihedral_7 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_7 _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 30 GLN C A 31 GLY N A 31 GLY CA A 31 GLY C 1.0 -77.0 -49.0 PHI 2 2 A 31 GLY N A 31 GLY CA A 31 GLY C A 32 ASP N 1.0 -55.0 -23.0 PSI 3 3 A 31 GLY C A 32 ASP N A 32 ASP CA A 32 ASP C 1.0 -78.0 -54.0 PHI 4 4 A 32 ASP N A 32 ASP CA A 32 ASP C A 33 VAL N 1.0 -52.0 -24.0 PSI 5 5 A 32 ASP C A 33 VAL N A 33 VAL CA A 33 VAL C 1.0 -75.0 -51.0 PHI 6 6 A 33 VAL N A 33 VAL CA A 33 VAL C A 34 LYS N 1.0 -53.0 -33.0 PSI 7 7 A 33 VAL C A 34 LYS N A 34 LYS CA A 34 LYS C 1.0 -75.0 -51.0 PHI 8 8 A 34 LYS N A 34 LYS CA A 34 LYS C A 35 VAL N 1.0 -51.0 -27.0 PSI 9 9 A 34 LYS C A 35 VAL N A 35 VAL CA A 35 VAL C 1.0 -84.0 -56.0 PHI 10 10 A 35 VAL N A 35 VAL CA A 35 VAL C A 36 TRP N 1.0 -51.0 -27.0 PSI 11 11 A 35 VAL C A 36 TRP N A 36 TRP CA A 36 TRP C 1.0 -75.0 -51.0 PHI 12 12 A 36 TRP N A 36 TRP CA A 36 TRP C A 37 MET N 1.0 -55.0 -19.0 PSI 13 13 A 36 TRP C A 37 MET N A 37 MET CA A 37 MET C 1.0 -76.0 -52.0 PHI 14 14 A 37 MET N A 37 MET CA A 37 MET C A 38 GLN N 1.0 -55.0 -27.0 PSI 15 15 A 37 MET C A 38 GLN N A 38 GLN CA A 38 GLN C 1.0 -73.0 -53.0 PHI 16 16 A 38 GLN N A 38 GLN CA A 38 GLN C A 39 ASN N 1.0 -58.0 -34.0 PSI 17 17 A 38 GLN C A 39 ASN N A 39 ASN CA A 39 ASN C 1.0 -77.0 -53.0 PHI 18 18 A 39 ASN N A 39 ASN CA A 39 ASN C A 40 LEU N 1.0 -58.0 -22.0 PSI 19 19 A 39 ASN C A 40 LEU N A 40 LEU CA A 40 LEU C 1.0 -74.0 -50.0 PHI 20 20 A 40 LEU N A 40 LEU CA A 40 LEU C A 41 GLU N 1.0 -51.0 -31.0 PSI 21 21 A 40 LEU C A 41 GLU N A 41 GLU CA A 41 GLU C 1.0 -76.0 -56.0 PHI 22 22 A 41 GLU N A 41 GLU CA A 41 GLU C A 42 ASP N 1.0 -53.0 -33.0 PSI 23 23 A 41 GLU C A 42 ASP N A 42 ASP CA A 42 ASP C 1.0 -74.0 -50.0 PHI 24 24 A 42 ASP N A 42 ASP CA A 42 ASP C A 43 LEU N 1.0 -53.0 -29.0 PSI 25 25 A 42 ASP C A 43 LEU N A 43 LEU CA A 43 LEU C 1.0 -76.0 -56.0 PHI 26 26 A 43 LEU N A 43 LEU CA A 43 LEU C A 44 HIS N 1.0 -57.0 -21.0 PSI 27 27 A 43 LEU C A 44 HIS N A 44 HIS CA A 44 HIS C 1.0 -79.0 -47.0 PHI 28 28 A 44 HIS N A 44 HIS CA A 44 HIS C A 45 THR N 1.0 -56.0 -36.0 PSI 29 29 A 44 HIS C A 45 THR N A 45 THR CA A 45 THR C 1.0 -73.0 -53.0 PHI 30 30 A 45 THR N A 45 THR CA A 45 THR C A 46 ARG N 1.0 -58.0 -22.0 PSI 31 31 A 45 THR C A 46 ARG N A 46 ARG CA A 46 ARG C 1.0 -133.0 -33.0 PHI 32 32 A 46 ARG N A 46 ARG CA A 46 ARG C A 47 ARG N 1.0 -69.0 7.0 PSI 33 33 A 48 PRO C A 49 ASP N A 49 ASP CA A 49 ASP C 1.0 -73.0 -49.0 PHI 34 34 A 49 ASP N A 49 ASP CA A 49 ASP C A 50 GLU N 1.0 -51.0 -27.0 PSI 35 35 A 49 ASP C A 50 GLU N A 50 GLU CA A 50 GLU C 1.0 -86.0 -54.0 PHI 36 36 A 50 GLU N A 50 GLU CA A 50 GLU C A 51 PHE N 1.0 -54.0 -18.0 PSI 37 37 A 50 GLU C A 51 PHE N A 51 PHE CA A 51 PHE C 1.0 -78.0 -50.0 PHI 38 38 A 51 PHE N A 51 PHE CA A 51 PHE C A 52 THR N 1.0 -55.0 -27.0 PSI 39 39 A 51 PHE C A 52 THR N A 52 THR CA A 52 THR C 1.0 -70.0 -50.0 PHI 40 40 A 52 THR N A 52 THR CA A 52 THR C A 53 ALA N 1.0 -54.0 -34.0 PSI 41 41 A 52 THR C A 53 ALA N A 53 ALA CA A 53 ALA C 1.0 -72.0 -52.0 PHI 42 42 A 53 ALA N A 53 ALA CA A 53 ALA C A 54 ARG N 1.0 -57.0 -25.0 PSI 43 43 A 53 ALA C A 54 ARG N A 54 ARG CA A 54 ARG C 1.0 -76.0 -56.0 PHI 44 44 A 54 ARG N A 54 ARG CA A 54 ARG C A 55 LEU N 1.0 -56.0 -32.0 PSI 45 45 A 54 ARG C A 55 LEU N A 55 LEU CA A 55 LEU C 1.0 -76.0 -48.0 PHI 46 46 A 55 LEU N A 55 LEU CA A 55 LEU C A 56 GLN N 1.0 -50.0 -30.0 PSI 47 47 A 55 LEU C A 56 GLN N A 56 GLN CA A 56 GLN C 1.0 -75.0 -55.0 PHI 48 48 A 56 GLN N A 56 GLN CA A 56 GLN C A 57 GLN N 1.0 -53.0 -33.0 PSI 49 49 A 56 GLN C A 57 GLN N A 57 GLN CA A 57 GLN C 1.0 -84.0 -48.0 PHI 50 50 A 57 GLN N A 57 GLN CA A 57 GLN C A 58 SER N 1.0 -54.0 -14.0 PSI 51 51 A 57 GLN C A 58 SER N A 58 SER CA A 58 SER C 1.0 -79.0 -59.0 PHI 52 52 A 58 SER N A 58 SER CA A 58 SER C A 59 THR N 1.0 -58.0 -26.0 PSI 53 53 A 58 SER C A 59 THR N A 59 THR CA A 59 THR C 1.0 -77.0 -49.0 PHI 54 54 A 59 THR N A 59 THR CA A 59 THR C A 60 ASP N 1.0 -56.0 -28.0 PSI 55 55 A 59 THR C A 60 ASP N A 60 ASP CA A 60 ASP C 1.0 -75.0 -51.0 PHI 56 56 A 60 ASP N A 60 ASP CA A 60 ASP C A 61 ALA N 1.0 -52.0 -32.0 PSI 57 57 A 60 ASP C A 61 ALA N A 61 ALA CA A 61 ALA C 1.0 -80.0 -56.0 PHI 58 58 A 61 ALA N A 61 ALA CA A 61 ALA C A 62 LEU N 1.0 -63.0 -11.0 PSI 59 59 A 61 ALA C A 62 LEU N A 62 LEU CA A 62 LEU C 1.0 -80.0 -56.0 PHI 60 60 A 62 LEU N A 62 LEU CA A 62 LEU C A 63 TYR N 1.0 -51.0 -31.0 PSI 61 61 A 62 LEU C A 63 TYR N A 63 TYR CA A 63 TYR C 1.0 -75.0 -51.0 PHI 62 62 A 63 TYR N A 63 TYR CA A 63 TYR C A 64 SER N 1.0 -52.0 -32.0 PSI 63 63 A 63 TYR C A 64 SER N A 64 SER CA A 64 SER C 1.0 -73.0 -53.0 PHI 64 64 A 64 SER N A 64 SER CA A 64 SER C A 65 HIS N 1.0 -52.0 -24.0 PSI 65 65 A 64 SER C A 65 HIS N A 65 HIS CA A 65 HIS C 1.0 -78.0 -54.0 PHI 66 66 A 65 HIS N A 65 HIS CA A 65 HIS C A 66 LEU N 1.0 -58.0 -30.0 PSI 67 67 A 65 HIS C A 66 LEU N A 66 LEU CA A 66 LEU C 1.0 -74.0 -54.0 PHI 68 68 A 66 LEU N A 66 LEU CA A 66 LEU C A 67 GLU N 1.0 -50.0 -30.0 PSI 69 69 A 66 LEU C A 67 GLU N A 67 GLU CA A 67 GLU C 1.0 -75.0 -55.0 PHI 70 70 A 67 GLU N A 67 GLU CA A 67 GLU C A 68 ALA N 1.0 -51.0 -27.0 PSI 71 71 A 67 GLU C A 68 ALA N A 68 ALA CA A 68 ALA C 1.0 -77.0 -49.0 PHI 72 72 A 68 ALA N A 68 ALA CA A 68 ALA C A 69 GLN N 1.0 -58.0 -22.0 PSI 73 73 A 68 ALA C A 69 GLN N A 69 GLN CA A 69 GLN C 1.0 -81.0 -57.0 PHI 74 74 A 69 GLN N A 69 GLN CA A 69 GLN C A 70 TRP N 1.0 -47.0 -27.0 PSI 75 75 A 69 GLN C A 70 TRP N A 70 TRP CA A 70 TRP C 1.0 -74.0 -54.0 PHI 76 76 A 70 TRP N A 70 TRP CA A 70 TRP C A 71 ALA N 1.0 -64.0 -24.0 PSI 77 77 A 70 TRP C A 71 ALA N A 71 ALA CA A 71 ALA C 1.0 -75.0 -55.0 PHI 78 78 A 71 ALA N A 71 ALA CA A 71 ALA C A 72 LYS N 1.0 -51.0 -31.0 PSI 79 79 A 71 ALA C A 72 LYS N A 72 LYS CA A 72 LYS C 1.0 -73.0 -53.0 PHI 80 80 A 72 LYS N A 72 LYS CA A 72 LYS C A 73 GLN N 1.0 -50.0 -30.0 PSI 81 81 A 72 LYS C A 73 GLN N A 73 GLN CA A 73 GLN C 1.0 -93.0 -45.0 PHI 82 82 A 73 GLN N A 73 GLN CA A 73 GLN C A 74 HIS N 1.0 -60.0 -12.0 PSI 83 83 A 73 GLN C A 74 HIS N A 74 HIS CA A 74 HIS C 1.0 -135.0 -51.0 PHI 84 84 A 74 HIS N A 74 HIS CA A 74 HIS C A 75 GLY N 1.0 -52.0 16.0 PSI 85 85 A 79 THR C A 80 ALA N A 80 ALA CA A 80 ALA C 1.0 -68.0 -48.0 PHI 86 86 A 80 ALA N A 80 ALA CA A 80 ALA C A 81 SER N 1.0 -52.0 -28.0 PSI 87 87 A 80 ALA C A 81 SER N A 81 SER CA A 81 SER C 1.0 -74.0 -54.0 PHI 88 88 A 81 SER N A 81 SER CA A 81 SER C A 82 ASP N 1.0 -55.0 -27.0 PSI 89 89 A 81 SER C A 82 ASP N A 82 ASP CA A 82 ASP C 1.0 -82.0 -54.0 PHI 90 90 A 82 ASP N A 82 ASP CA A 82 ASP C A 83 VAL N 1.0 -60.0 -28.0 PSI 91 91 A 82 ASP C A 83 VAL N A 83 VAL CA A 83 VAL C 1.0 -93.0 -41.0 PHI 92 92 A 83 VAL N A 83 VAL CA A 83 VAL C A 84 VAL N 1.0 -55.0 -35.0 PSI 93 93 A 83 VAL C A 84 VAL N A 84 VAL CA A 84 VAL C 1.0 -95.0 -47.0 PHI 94 94 A 84 VAL N A 84 VAL CA A 84 VAL C A 85 GLY N 1.0 -74.0 10.0 PSI 95 95 A 87 PRO C A 88 GLN N A 88 GLN CA A 88 GLN C 1.0 -75.0 -51.0 PHI 96 96 A 88 GLN N A 88 GLN CA A 88 GLN C A 89 TRP N 1.0 -60.0 -28.0 PSI 97 97 A 88 GLN C A 89 TRP N A 89 TRP CA A 89 TRP C 1.0 -73.0 -53.0 PHI 98 98 A 89 TRP N A 89 TRP CA A 89 TRP C A 90 GLN N 1.0 -59.0 -27.0 PSI 99 99 A 89 TRP C A 90 GLN N A 90 GLN CA A 90 GLN C 1.0 -73.0 -53.0 PHI 100 100 A 90 GLN N A 90 GLN CA A 90 GLN C A 91 GLU N 1.0 -49.0 -29.0 PSI 101 101 A 90 GLN C A 91 GLU N A 91 GLU CA A 91 GLU C 1.0 -79.0 -59.0 PHI 102 102 A 91 GLU N A 91 GLU CA A 91 GLU C A 92 TYR N 1.0 -53.0 -25.0 PSI 103 103 A 91 GLU C A 92 TYR N A 92 TYR CA A 92 TYR C 1.0 -75.0 -51.0 PHI 104 104 A 92 TYR N A 92 TYR CA A 92 TYR C A 93 THR N 1.0 -57.0 -29.0 PSI 105 105 A 92 TYR C A 93 THR N A 93 THR CA A 93 THR C 1.0 -73.0 -53.0 PHI 106 106 A 93 THR N A 93 THR CA A 93 THR C A 94 ALA N 1.0 -51.0 -31.0 PSI 107 107 A 93 THR C A 94 ALA N A 94 ALA CA A 94 ALA C 1.0 -76.0 -52.0 PHI 108 108 A 94 ALA N A 94 ALA CA A 94 ALA C A 95 MET N 1.0 -57.0 -25.0 PSI 109 109 A 94 ALA C A 95 MET N A 95 MET CA A 95 MET C 1.0 -74.0 -54.0 PHI 110 110 A 95 MET N A 95 MET CA A 95 MET C A 96 LEU N 1.0 -53.0 -33.0 PSI 111 111 A 95 MET C A 96 LEU N A 96 LEU CA A 96 LEU C 1.0 -71.0 -51.0 PHI 112 112 A 96 LEU N A 96 LEU CA A 96 LEU C A 97 ARG N 1.0 -51.0 -31.0 PSI 113 113 A 96 LEU C A 97 ARG N A 97 ARG CA A 97 ARG C 1.0 -78.0 -46.0 PHI 114 114 A 97 ARG N A 97 ARG CA A 97 ARG C A 98 GLU N 1.0 -52.0 -28.0 PSI 115 115 A 97 ARG C A 98 GLU N A 98 GLU CA A 98 GLU C 1.0 -80.0 -52.0 PHI 116 116 A 98 GLU N A 98 GLU CA A 98 GLU C A 99 ARG N 1.0 -45.0 -25.0 PSI 117 117 A 98 GLU C A 99 ARG N A 99 ARG CA A 99 ARG C 1.0 -105.0 -49.0 PHI 118 118 A 99 ARG N A 99 ARG CA A 99 ARG C A 100 PHE N 1.0 -62.0 22.0 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 8000 2 1H 8000 3 13C 9400 stop_ save_ save_cbcaconnh _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode cbcaconnh _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1HN 6550 2 13C 9400 3 15N 2100 stop_ save_ save_cconh _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode cconh _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1HN 6000 2 13C 9500 3 15N 2100 stop_ save_ save_hbcbcgcdcehe _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode hbcbcgcdcehe _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1HN 8000 2 13C 4521 stop_ save_ save_hbcbcgcdhd _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode hbcbcgcdhd _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1HN 8000 2 13C 4521 stop_ save_ save_hcch _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode hcch _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1HC 8000 2 1H 8000 3 13C 9400 stop_ save_ save_hcconh _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode hcconh _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1HN 4000 2 1H 9400 3 13C 2100 stop_ save_ save_hnca _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode hnca _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1HN 4000 2 13C 4251 3 15N 2100 stop_ save_ save_hncacb _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode hncacb _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1HN 6000 2 13C 9400 3 15N 2100 stop_ save_ save_hnco _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode hnco _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1HN 6000 2 13C 3014 3 15N 2100 stop_ save_ save_n15hsqc _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode n15hsqc _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1HN 8000 2 15N 2429 stop_ save_ save_n15noesy _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode n15noesy _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1HN 8000 2 1H 8000 3 15N 2100 stop_ save_