data_nef_c17948_2ljl 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 1 MET start . . 2 A 2 SER middle . . 3 A 3 ASP middle . . 4 A 4 ALA middle . . 5 A 5 GLY middle . false 6 A 6 ARG middle . . 7 A 7 LYS middle . . 8 A 8 GLY middle . false 9 A 9 PHE middle . . 10 A 10 GLY middle . false 11 A 11 GLU middle . . 12 A 12 LYS middle . . 13 A 13 ALA middle . . 14 A 14 SER middle . . 15 A 15 GLU middle . . 16 A 16 ALA middle . . 17 A 17 LEU middle . . 18 A 18 LYS middle . . 19 A 19 PRO middle . false 20 A 20 ASP middle . . 21 A 21 SER middle . . 22 A 22 GLN middle . . 23 A 23 LYS middle . . 24 A 24 SER middle . . 25 A 25 TYR middle . . 26 A 26 ALA middle . . 27 A 27 GLU middle . . 28 A 28 GLN middle . . 29 A 29 GLY middle . false 30 A 30 LYS middle . . 31 A 31 GLU middle . . 32 A 32 TYR middle . . 33 A 33 ILE middle . . 34 A 34 THR middle . . 35 A 35 ASP middle . . 36 A 36 LYS middle . . 37 A 37 ALA middle . . 38 A 38 ASP middle . . 39 A 39 LYS middle . . 40 A 40 VAL middle . . 41 A 41 ALA middle . . 42 A 42 GLY middle . false 43 A 43 LYS middle . . 44 A 44 VAL middle . . 45 A 45 GLN middle . . 46 A 46 PRO middle . false 47 A 47 GLU middle . . 48 A 48 ASP middle . . 49 A 49 ASN middle . . 50 A 50 LYS middle . . 51 A 51 GLY middle . false 52 A 52 VAL middle . . 53 A 53 PHE middle . . 54 A 54 GLN middle . . 55 A 55 GLY middle . false 56 A 56 VAL middle . . 57 A 57 HIS middle . . 58 A 58 ASP middle . . 59 A 59 SER middle . . 60 A 60 ALA middle . . 61 A 61 GLU middle . . 62 A 62 LYS middle . . 63 A 63 GLY middle . false 64 A 64 LYS middle . . 65 A 65 ASP middle . . 66 A 66 ASN middle . . 67 A 67 ALA middle . . 68 A 68 GLU middle . . 69 A 69 GLY middle . false 70 A 70 GLN middle . . 71 A 71 GLY middle . false 72 A 72 GLU middle . . 73 A 73 SER middle . . 74 A 74 LEU middle . . 75 A 75 ALA middle . . 76 A 76 ASP middle . . 77 A 77 GLN middle . . 78 A 78 ALA middle . . 79 A 79 ARG middle . . 80 A 80 ASP middle . . 81 A 81 TYR middle . . 82 A 82 MET middle . . 83 A 83 GLY middle . false 84 A 84 ALA middle . . 85 A 85 ALA middle . . 86 A 86 LYS middle . . 87 A 87 SER middle . . 88 A 88 LYS middle . . 89 A 89 LEU middle . . 90 A 90 ASN middle . . 91 A 91 ASP middle . . 92 A 92 ALA middle . . 93 A 93 VAL middle . . 94 A 94 GLU middle . . 95 A 95 TYR middle . . 96 A 96 VAL middle . . 97 A 97 SER middle . . 98 A 98 GLY middle . false 99 A 99 ARG middle . . 100 A 100 VAL middle . . 101 A 101 HIS middle . . 102 A 102 GLY middle . false 103 A 103 GLU middle . . 104 A 104 GLU middle . . 105 A 105 ASP middle . . 106 A 106 PRO middle . false 107 A 107 THR middle . . 108 A 108 LYS middle . . 109 A 109 LYS 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 3 ASP H H 1 8.330 0.000 A 3 ASP HA H 1 4.610 0.000 A 4 ALA H H 1 8.180 0.001 A 4 ALA HA H 1 4.260 0.000 A 4 ALA HB% H 1 1.403 0.000 A 4 ALA CA C 13 53.000 0.000 A 4 ALA CB C 13 18.965 0.000 A 4 ALA N N 15 124.218 0.000 A 5 GLY H H 1 8.344 0.000 A 5 GLY HAx H 1 3.930 0.000 A 5 GLY HAy H 1 3.950 0.000 A 5 GLY CA C 13 45.100 0.000 A 5 GLY N N 15 107.349 0.000 A 6 ARG H H 1 7.971 0.000 A 6 ARG HA H 1 4.270 0.000 A 6 ARG N N 15 119.351 0.000 A 7 LYS H H 1 8.034 0.003 A 7 LYS HA H 1 4.280 0.000 A 7 LYS HBy H 1 1.790 0.000 A 7 LYS HBx H 1 1.780 0.000 A 7 LYS CA C 13 56.400 0.000 A 7 LYS CB C 13 32.900 0.000 A 7 LYS N N 15 122.700 0.000 A 8 GLY H H 1 8.340 0.000 A 8 GLY HAx H 1 3.930 0.000 A 8 GLY HAy H 1 3.950 0.000 A 9 PHE H H 1 8.093 0.000 A 9 PHE HA H 1 4.620 0.000 A 9 PHE HBy H 1 2.990 0.000 A 9 PHE HBx H 1 2.970 0.000 A 9 PHE CA C 13 56.000 0.000 A 9 PHE CB C 13 39.950 0.000 A 9 PHE N N 15 122.017 0.000 A 10 GLY H H 1 7.996 0.008 A 10 GLY HAx H 1 3.836 0.000 A 10 GLY HAy H 1 3.950 0.000 A 10 GLY CA C 13 45.554 0.000 A 10 GLY N N 15 120.389 0.000 A 11 GLU H H 1 8.168 0.001 A 11 GLU HA H 1 4.260 0.000 A 11 GLU HBx H 1 1.966 0.000 A 11 GLU HBy H 1 2.040 0.000 A 11 GLU CA C 13 57.061 0.000 A 11 GLU CB C 13 30.200 0.000 A 11 GLU N N 15 120.847 0.000 A 12 LYS H H 1 8.273 0.000 A 12 LYS HA H 1 4.280 0.000 A 12 LYS HBx H 1 1.777 0.000 A 12 LYS HBy H 1 1.833 0.000 A 12 LYS CA C 13 56.552 0.000 A 12 LYS CB C 13 32.800 0.000 A 12 LYS N N 15 121.524 0.000 A 13 ALA H H 1 8.288 0.000 A 13 ALA HA H 1 4.260 0.000 A 13 ALA HB% H 1 1.388 0.000 A 13 ALA CA C 13 53.056 0.000 A 13 ALA CB C 13 18.900 0.000 A 13 ALA N N 15 124.765 0.000 A 14 SER H H 1 8.145 0.000 A 14 SER HA H 1 4.342 0.000 A 14 SER HBy H 1 3.911 0.000 A 14 SER HBx H 1 3.892 0.000 A 14 SER CA C 13 58.918 0.000 A 14 SER CB C 13 63.539 0.000 A 14 SER N N 15 114.047 0.000 A 15 GLU H H 1 8.223 0.000 A 15 GLU HA H 1 4.260 0.000 A 15 GLU HBx H 1 1.961 0.000 A 15 GLU HBy H 1 2.080 0.000 A 15 GLU CA C 13 48.017 0.000 A 15 GLU CB C 13 30.341 0.000 A 15 GLU N N 15 122.145 0.000 A 16 ALA H H 1 8.033 0.000 A 16 ALA HA H 1 4.284 0.000 A 16 ALA HB% H 1 1.388 0.001 A 16 ALA CA C 13 52.500 0.000 A 16 ALA CB C 13 19.200 0.000 A 16 ALA N N 15 123.491 0.000 A 17 LEU H H 1 7.901 0.002 A 17 LEU HA H 1 4.334 0.007 A 17 LEU HBy H 1 1.649 0.010 A 17 LEU HBx H 1 1.583 0.000 A 17 LEU CA C 13 54.900 0.000 A 17 LEU CB C 13 42.300 0.000 A 17 LEU N N 15 120.066 0.000 A 18 LYS H H 1 8.081 0.004 A 18 LYS HA H 1 4.280 0.000 A 18 LYS HBy H 1 1.790 0.000 A 18 LYS HBx H 1 1.780 0.000 A 18 LYS CA C 13 54.000 0.000 A 18 LYS CB C 13 32.637 0.000 A 18 LYS N N 15 122.658 0.000 A 19 PRO HA H 1 4.427 0.000 A 19 PRO HBx H 1 1.948 0.000 A 19 PRO HBy H 1 2.299 0.000 A 19 PRO CA C 13 63.300 0.000 A 19 PRO CB C 13 31.900 0.000 A 20 ASP H H 1 8.398 0.004 A 20 ASP HA H 1 4.571 0.000 A 20 ASP HBx H 1 2.674 0.000 A 20 ASP HBy H 1 2.700 0.000 A 20 ASP CA C 13 54.500 0.000 A 20 ASP CB C 13 40.900 0.000 A 20 ASP N N 15 119.912 0.000 A 21 SER H H 1 8.113 0.001 A 21 SER HA H 1 4.513 0.000 A 21 SER HBy H 1 3.923 0.000 A 21 SER HBx H 1 3.916 0.000 A 21 SER CA C 13 58.726 0.000 A 21 SER CB C 13 63.709 0.000 A 21 SER N N 15 115.552 0.000 A 22 GLN H H 1 8.224 0.000 A 22 GLN HA H 1 4.280 0.000 A 22 GLN HBy H 1 2.050 0.000 A 22 GLN HBx H 1 2.040 0.000 A 22 GLN HE2y H 1 7.170 0.000 A 22 GLN HE2x H 1 7.070 0.000 A 22 GLN N N 15 119.920 0.000 A 23 LYS H H 1 8.415 0.000 A 23 LYS HA H 1 4.280 0.000 A 23 LYS HBy H 1 1.790 0.000 A 23 LYS HBx H 1 1.780 0.000 A 23 LYS HD2 H 1 1.610 0.000 A 23 LYS HD3 H 1 1.610 0.000 A 23 LYS CA C 13 56.173 0.000 A 23 LYS CB C 13 30.593 0.000 A 23 LYS N N 15 121.734 0.000 A 24 SER H H 1 7.595 0.000 A 24 SER HA H 1 4.510 0.000 A 24 SER HBy H 1 3.880 0.000 A 24 SER HBx H 1 3.870 0.000 A 24 SER CA C 13 57.341 0.000 A 24 SER CB C 13 63.800 0.000 A 24 SER N N 15 126.408 0.000 A 25 TYR H H 1 8.370 0.000 A 25 TYR HA H 1 4.456 0.005 A 25 TYR HBx H 1 3.034 0.001 A 25 TYR HBy H 1 3.046 0.000 A 25 TYR CA C 13 59.736 0.000 A 25 TYR CB C 13 38.069 0.000 A 25 TYR N N 15 120.790 0.000 A 26 ALA H H 1 8.405 0.000 A 26 ALA HA H 1 4.164 0.000 A 26 ALA HB% H 1 1.380 0.000 A 26 ALA CA C 13 54.000 0.000 A 26 ALA CB C 13 18.900 0.000 A 26 ALA N N 15 122.684 0.000 A 27 GLU H H 1 7.988 0.006 A 27 GLU HA H 1 4.116 0.001 A 27 GLU HBx H 1 2.065 0.000 A 27 GLU HBy H 1 2.076 0.000 A 27 GLU HG2 H 1 2.310 0.000 A 27 GLU HG3 H 1 2.310 0.000 A 27 GLU CA C 13 58.000 0.000 A 27 GLU CB C 13 30.000 0.000 A 27 GLU N N 15 118.504 0.000 A 28 GLN H H 1 8.282 0.001 A 28 GLN HA H 1 4.224 0.000 A 28 GLN HBy H 1 2.050 0.000 A 28 GLN HBx H 1 2.040 0.000 A 28 GLN CA C 13 57.600 0.000 A 28 GLN CB C 13 29.400 0.000 A 28 GLN N N 15 119.735 0.000 A 29 GLY H H 1 8.645 0.000 A 29 GLY HAx H 1 3.929 0.001 A 29 GLY HAy H 1 3.950 0.000 A 29 GLY CA C 13 46.400 0.000 A 29 GLY N N 15 108.734 0.000 A 30 LYS H H 1 8.140 0.001 A 30 LYS HA H 1 4.280 0.000 A 30 LYS HBy H 1 1.790 0.000 A 30 LYS HBx H 1 1.780 0.000 A 30 LYS CA C 13 57.992 0.000 A 30 LYS CB C 13 29.800 0.000 A 30 LYS N N 15 120.800 0.000 A 31 GLU H H 1 8.039 0.002 A 31 GLU HA H 1 4.260 0.000 A 31 GLU HB2 H 1 2.040 0.000 A 31 GLU HB3 H 1 2.040 0.000 A 31 GLU CA C 13 59.400 0.000 A 31 GLU CB C 13 32.521 0.000 A 31 GLU N N 15 119.994 0.000 A 32 TYR H H 1 7.994 0.000 A 32 TYR HA H 1 4.630 0.000 A 32 TYR HB2 H 1 2.910 0.000 A 32 TYR HB3 H 1 2.910 0.000 A 32 TYR CA C 13 58.020 0.000 A 32 TYR CB C 13 39.160 0.000 A 32 TYR N N 15 119.254 0.000 A 33 ILE H H 1 8.260 0.000 A 33 ILE HA H 1 4.024 0.000 A 33 ILE HB H 1 1.944 0.002 A 33 ILE HD1% H 1 0.885 0.006 A 33 ILE HG1y H 1 1.615 0.006 A 33 ILE HG1x H 1 1.278 0.015 A 33 ILE HG2% H 1 0.949 0.005 A 33 ILE CA C 13 62.100 0.000 A 33 ILE CB C 13 38.300 0.000 A 33 ILE CD1 C 13 12.987 0.000 A 33 ILE CG1 C 13 27.650 0.000 A 33 ILE CG2 C 13 17.360 0.000 A 33 ILE N N 15 121.600 0.000 A 34 THR H H 1 8.082 0.005 A 34 THR HA H 1 4.480 0.000 A 34 THR HB H 1 4.170 0.000 A 34 THR HG2% H 1 1.160 0.000 A 34 THR CA C 13 63.600 0.000 A 34 THR CB C 13 69.300 0.000 A 34 THR CG2 C 13 21.440 0.000 A 34 THR N N 15 115.849 0.000 A 35 ASP H H 1 8.102 0.005 A 35 ASP HA H 1 4.554 0.000 A 35 ASP HBx H 1 2.695 0.000 A 35 ASP HBy H 1 2.712 0.004 A 35 ASP CA C 13 55.400 0.000 A 35 ASP CB C 13 41.500 0.000 A 35 ASP N N 15 122.190 0.000 A 36 LYS H H 1 7.983 0.005 A 36 LYS HA H 1 4.210 0.000 A 36 LYS HBx H 1 1.788 0.000 A 36 LYS HBy H 1 1.808 0.000 A 36 LYS HD2 H 1 1.610 0.000 A 36 LYS HD3 H 1 1.610 0.000 A 36 LYS HGy H 1 1.380 0.000 A 36 LYS HGx H 1 1.370 0.000 A 36 LYS CA C 13 56.500 0.000 A 36 LYS CB C 13 32.500 0.000 A 36 LYS N N 15 119.451 0.000 A 37 ALA H H 1 8.241 0.006 A 37 ALA HA H 1 4.181 0.000 A 37 ALA HB% H 1 1.424 0.000 A 37 ALA CA C 13 53.600 0.000 A 37 ALA CB C 13 18.800 0.000 A 37 ALA N N 15 123.038 0.000 A 38 ASP H H 1 8.144 0.004 A 38 ASP HA H 1 4.504 0.000 A 38 ASP HBx H 1 2.683 0.000 A 38 ASP HBy H 1 2.700 0.000 A 38 ASP CA C 13 55.100 0.000 A 38 ASP CB C 13 41.000 0.000 A 38 ASP N N 15 118.323 0.000 A 39 LYS H H 1 7.960 0.004 A 39 LYS HA H 1 4.275 0.000 A 39 LYS HBx H 1 1.848 0.002 A 39 LYS HBy H 1 1.873 0.000 A 39 LYS CA C 13 56.900 0.000 A 39 LYS CB C 13 32.754 0.000 A 39 LYS N N 15 120.011 0.000 A 40 VAL H H 1 7.948 0.006 A 40 VAL HA H 1 4.044 0.004 A 40 VAL HB H 1 2.127 0.002 A 40 VAL HGx% H 1 0.974 0.003 A 40 VAL HGy% H 1 0.957 0.010 A 40 VAL CA C 13 62.900 0.000 A 40 VAL CB C 13 32.500 0.000 A 40 VAL CG1 C 13 21.380 0.000 A 40 VAL CG2 C 13 21.310 0.000 A 40 VAL N N 15 119.113 0.000 A 41 ALA H H 1 8.168 0.005 A 41 ALA HA H 1 4.294 0.000 A 41 ALA HB% H 1 1.433 0.000 A 41 ALA CA C 13 52.900 0.000 A 41 ALA CB C 13 19.100 0.000 A 41 ALA N N 15 125.220 0.000 A 42 GLY H H 1 8.130 0.000 A 42 GLY HAx H 1 3.930 0.000 A 42 GLY HAy H 1 3.950 0.000 A 42 GLY CA C 13 45.400 0.000 A 42 GLY N N 15 107.007 0.000 A 43 LYS H H 1 8.253 0.000 A 43 LYS HA H 1 4.371 0.000 A 43 LYS HBx H 1 1.759 0.000 A 43 LYS HBy H 1 1.837 0.000 A 43 LYS HD2 H 1 1.610 0.000 A 43 LYS HD3 H 1 1.610 0.000 A 43 LYS HGy H 1 1.380 0.000 A 43 LYS HGx H 1 1.370 0.000 A 43 LYS CA C 13 56.000 0.000 A 43 LYS CB C 13 33.000 0.000 A 43 LYS N N 15 122.310 0.000 A 44 VAL H H 1 8.026 0.003 A 44 VAL HA H 1 4.140 0.004 A 44 VAL HB H 1 2.067 0.001 A 44 VAL HGx% H 1 0.919 0.002 A 44 VAL HGy% H 1 0.900 0.011 A 44 VAL CA C 13 62.000 0.000 A 44 VAL CB C 13 32.700 0.000 A 44 VAL CG1 C 13 21.380 0.000 A 44 VAL CG2 C 13 21.310 0.000 A 44 VAL N N 15 120.734 0.000 A 45 GLN H H 1 8.385 0.006 A 45 GLN HA H 1 4.280 0.000 A 45 GLN HBy H 1 2.050 0.000 A 45 GLN HBx H 1 2.040 0.000 A 45 GLN CA C 13 53.400 0.000 A 45 GLN CB C 13 29.000 0.000 A 45 GLN N N 15 124.893 0.000 A 46 PRO HA H 1 4.171 0.000 A 46 PRO HBx H 1 2.079 0.000 A 46 PRO HBy H 1 2.085 0.000 A 46 PRO CA C 13 61.800 0.000 A 46 PRO CB C 13 32.929 0.000 A 47 GLU H H 1 8.039 0.006 A 47 GLU HA H 1 4.260 0.000 A 47 GLU HB2 H 1 2.040 0.000 A 47 GLU HB3 H 1 2.040 0.000 A 47 GLU CA C 13 56.200 0.000 A 47 GLU CB C 13 30.700 0.000 A 47 GLU N N 15 123.526 0.000 A 48 ASP H H 1 8.402 0.004 A 48 ASP HA H 1 4.598 0.000 A 48 ASP HBx H 1 2.656 0.000 A 48 ASP HBy H 1 2.700 0.000 A 48 ASP CA C 13 56.330 0.000 A 48 ASP CB C 13 30.700 0.000 A 48 ASP N N 15 122.131 0.000 A 49 ASN H H 1 8.338 0.000 A 49 ASN HA H 1 4.700 0.000 A 49 ASN HBx H 1 2.803 0.000 A 49 ASN HBy H 1 2.821 0.000 A 49 ASN CA C 13 51.600 0.000 A 49 ASN CB C 13 41.573 0.000 A 49 ASN N N 15 121.154 0.000 A 50 LYS H H 1 8.247 0.000 A 50 LYS HA H 1 4.299 0.000 A 50 LYS HBx H 1 1.811 0.000 A 50 LYS HBy H 1 1.887 0.000 A 50 LYS N N 15 120.660 0.000 A 51 GLY H H 1 8.320 0.000 A 51 GLY HAx H 1 3.930 0.000 A 51 GLY HAy H 1 3.950 0.000 A 51 GLY CA C 13 45.400 0.000 A 51 GLY N N 15 108.915 0.000 A 52 VAL H H 1 7.836 0.003 A 52 VAL HA H 1 4.046 0.000 A 52 VAL HB H 1 1.984 0.000 A 52 VAL HGx% H 1 0.840 0.000 A 52 VAL HGy% H 1 0.830 0.000 A 52 VAL CA C 13 62.400 0.000 A 52 VAL CB C 13 32.500 0.000 A 52 VAL CG1 C 13 21.380 0.000 A 52 VAL CG2 C 13 21.310 0.000 A 52 VAL N N 15 118.906 0.000 A 53 PHE H H 1 8.284 0.002 A 53 PHE HA H 1 4.648 0.000 A 53 PHE HBx H 1 3.037 0.000 A 53 PHE HBy H 1 3.140 0.000 A 53 PHE CA C 13 57.600 0.000 A 53 PHE CB C 13 39.400 0.000 A 53 PHE N N 15 123.002 0.000 A 54 GLN H H 1 8.223 0.001 A 54 GLN HA H 1 4.313 0.000 A 54 GLN HBx H 1 1.936 0.000 A 54 GLN HBy H 1 2.092 0.000 A 54 GLN HG2 H 1 2.320 0.000 A 54 GLN HG3 H 1 2.320 0.000 A 54 GLN CA C 13 55.800 0.000 A 54 GLN CB C 13 29.500 0.000 A 54 GLN N N 15 122.278 0.000 A 55 GLY H H 1 7.900 0.000 A 55 GLY HAx H 1 3.887 0.000 A 55 GLY HAy H 1 3.933 0.000 A 55 GLY CA C 13 45.200 0.000 A 55 GLY N N 15 109.285 0.000 A 56 VAL H H 1 7.898 0.000 A 57 HIS H H 1 8.529 0.000 A 57 HIS HA H 1 4.249 0.000 A 57 HIS HBy H 1 3.120 0.000 A 57 HIS HBx H 1 3.110 0.000 A 57 HIS N N 15 120.411 0.000 A 58 ASP H H 1 8.234 0.000 A 58 ASP HA H 1 4.610 0.000 A 58 ASP HBx H 1 2.636 0.000 A 58 ASP HBy H 1 2.670 0.000 A 58 ASP N N 15 120.960 0.000 A 59 SER H H 1 8.248 0.000 A 59 SER HA H 1 4.398 0.000 A 59 SER HBy H 1 3.935 0.000 A 59 SER HBx H 1 3.870 0.000 A 59 SER CA C 13 58.500 0.000 A 59 SER CB C 13 63.700 0.000 A 59 SER N N 15 116.391 0.000 A 60 ALA H H 1 8.290 0.000 A 60 ALA HA H 1 4.308 0.000 A 60 ALA HB% H 1 1.404 0.000 A 60 ALA CA C 13 52.800 0.000 A 60 ALA CB C 13 19.161 0.000 A 60 ALA N N 15 125.620 0.000 A 61 GLU H H 1 8.206 0.000 A 61 GLU HA H 1 4.251 0.000 A 61 GLU HBx H 1 1.950 0.000 A 61 GLU HBy H 1 2.054 0.000 A 61 GLU CA C 13 56.600 0.000 A 61 GLU CB C 13 30.100 0.000 A 61 GLU N N 15 119.550 0.000 A 62 LYS H H 1 8.157 0.003 A 62 LYS HA H 1 4.300 0.008 A 62 LYS HBx H 1 1.790 0.000 A 62 LYS HBy H 1 1.866 0.000 A 62 LYS CA C 13 56.800 0.000 A 62 LYS CB C 13 32.900 0.000 A 62 LYS N N 15 122.003 0.000 A 63 GLY H H 1 8.371 0.000 A 63 GLY HAx H 1 3.945 0.000 A 63 GLY HAy H 1 3.991 0.000 A 63 GLY CA C 13 45.300 0.000 A 63 GLY N N 15 109.728 0.000 A 64 LYS H H 1 8.078 0.000 A 64 LYS HA H 1 4.340 0.000 A 64 LYS HBx H 1 1.753 0.000 A 64 LYS HBy H 1 1.849 0.000 A 64 LYS CA C 13 56.200 0.000 A 64 LYS CB C 13 33.000 0.000 A 64 LYS N N 15 120.537 0.000 A 65 ASP H H 1 8.336 0.000 A 65 ASP HA H 1 4.590 0.000 A 65 ASP HBx H 1 2.641 0.000 A 65 ASP HBy H 1 2.700 0.000 A 65 ASP CA C 13 54.300 0.000 A 65 ASP CB C 13 41.200 0.000 A 65 ASP N N 15 120.981 0.000 A 66 ASN H H 1 8.280 0.000 A 66 ASN HA H 1 4.691 0.000 A 66 ASN HBx H 1 2.756 0.000 A 66 ASN HBy H 1 2.836 0.000 A 66 ASN CA C 13 53.200 0.000 A 66 ASN CB C 13 39.000 0.000 A 66 ASN N N 15 119.056 0.000 A 67 ALA H H 1 8.248 0.000 A 67 ALA HA H 1 4.313 0.000 A 67 ALA HB% H 1 1.400 0.000 A 67 ALA CA C 13 52.724 0.000 A 67 ALA CB C 13 19.171 0.000 A 67 ALA N N 15 124.164 0.000 A 68 GLU H H 1 8.295 0.003 A 68 GLU HA H 1 4.282 0.000 A 68 GLU HBx H 1 1.985 0.000 A 68 GLU HBy H 1 2.081 0.000 A 68 GLU HG2 H 1 2.310 0.000 A 68 GLU HG3 H 1 2.310 0.000 A 68 GLU CA C 13 56.812 0.000 A 68 GLU CB C 13 30.126 0.000 A 68 GLU N N 15 119.599 0.000 A 69 GLY H H 1 8.348 0.006 A 69 GLY HAx H 1 3.966 0.000 A 69 GLY HAy H 1 3.988 0.000 A 69 GLY CA C 13 45.440 0.000 A 69 GLY N N 15 109.616 0.000 A 70 GLN H H 1 8.200 0.004 A 70 GLN HA H 1 4.388 0.000 A 70 GLN HBx H 1 2.015 0.000 A 70 GLN HBy H 1 2.175 0.000 A 70 GLN CA C 13 55.860 0.000 A 70 GLN CB C 13 29.500 0.000 A 70 GLN N N 15 119.476 0.000 A 71 GLY H H 1 8.438 0.003 A 71 GLY HAx H 1 3.978 0.004 A 71 GLY HAy H 1 4.005 0.000 A 71 GLY CA C 13 45.360 0.000 A 71 GLY N N 15 109.928 0.000 A 72 GLU H H 1 8.296 0.010 A 72 GLU HA H 1 4.398 0.000 A 72 GLU HBx H 1 1.948 0.000 A 72 GLU HBy H 1 2.093 0.000 A 72 GLU HG2 H 1 2.310 0.000 A 72 GLU HG3 H 1 2.310 0.000 A 72 GLU CA C 13 56.400 0.000 A 72 GLU CB C 13 30.700 0.000 A 72 GLU CG C 13 36.010 0.000 A 72 GLU N N 15 120.438 0.000 A 73 SER H H 1 8.666 0.004 A 73 SER HA H 1 4.601 0.002 A 73 SER HBx H 1 3.972 0.004 A 73 SER HBy H 1 4.180 0.004 A 73 SER CA C 13 58.011 0.000 A 73 SER CB C 13 64.816 0.000 A 73 SER N N 15 117.699 0.000 A 74 LEU H H 1 8.899 0.003 A 74 LEU HA H 1 4.241 0.013 A 74 LEU HBx H 1 1.619 0.000 A 74 LEU HBy H 1 1.790 0.008 A 74 LEU HDx% H 1 0.992 0.004 A 74 LEU HDy% H 1 0.935 0.002 A 74 LEU HG H 1 1.589 0.019 A 74 LEU CA C 13 57.723 0.000 A 74 LEU CB C 13 42.155 0.000 A 74 LEU CD1 C 13 24.730 0.000 A 74 LEU CD2 C 13 24.100 0.000 A 74 LEU CG C 13 26.770 0.000 A 74 LEU N N 15 125.422 0.000 A 75 ALA H H 1 8.389 0.005 A 75 ALA HA H 1 4.021 0.007 A 75 ALA HB% H 1 1.429 0.010 A 75 ALA CA C 13 54.800 0.000 A 75 ALA CB C 13 18.600 0.000 A 75 ALA N N 15 120.685 0.000 A 76 ASP H H 1 7.777 0.003 A 76 ASP HA H 1 4.434 0.002 A 76 ASP HBy H 1 2.789 0.015 A 76 ASP HBx H 1 2.771 0.004 A 76 ASP CA C 13 56.700 0.000 A 76 ASP CB C 13 40.683 0.000 A 76 ASP N N 15 117.754 0.000 A 77 GLN H H 1 8.038 0.003 A 77 GLN HA H 1 4.221 0.008 A 77 GLN HBx H 1 2.149 0.000 A 77 GLN HBy H 1 2.163 0.001 A 77 GLN HE2y H 1 7.150 0.009 A 77 GLN HE2x H 1 6.700 0.004 A 77 GLN HGx H 1 2.344 0.003 A 77 GLN HGy H 1 2.488 0.001 A 77 GLN CA C 13 57.844 0.000 A 77 GLN CB C 13 29.602 0.000 A 77 GLN CG C 13 34.533 0.000 A 77 GLN N N 15 119.402 0.000 A 77 GLN NE2 N 15 110.135 0.000 A 78 ALA H H 1 8.427 0.000 A 78 ALA HA H 1 4.171 0.004 A 78 ALA HB% H 1 1.495 0.004 A 78 ALA CA C 13 54.550 0.000 A 78 ALA CB C 13 18.854 0.000 A 78 ALA N N 15 121.376 0.000 A 79 ARG H H 1 8.031 0.005 A 79 ARG HA H 1 4.018 0.005 A 79 ARG HBy H 1 1.970 0.004 A 79 ARG HBx H 1 1.953 0.003 A 79 ARG HDy H 1 3.273 0.003 A 79 ARG HDx H 1 3.271 0.003 A 79 ARG HGy H 1 1.831 0.004 A 79 ARG HGx H 1 1.612 0.004 A 79 ARG CA C 13 59.293 0.000 A 79 ARG CB C 13 30.159 0.000 A 79 ARG CD C 13 43.417 0.000 A 79 ARG CG C 13 27.877 0.000 A 79 ARG N N 15 117.905 0.000 A 80 ASP H H 1 8.126 0.005 A 80 ASP HA H 1 4.561 0.004 A 80 ASP HBx H 1 2.633 0.004 A 80 ASP HBy H 1 2.730 0.006 A 80 ASP CA C 13 56.276 0.000 A 80 ASP CB C 13 40.500 0.000 A 80 ASP N N 15 120.290 0.000 A 81 TYR H H 1 8.250 0.003 A 81 TYR HA H 1 4.340 0.006 A 81 TYR HBy H 1 3.072 0.003 A 81 TYR HBx H 1 3.034 0.001 A 81 TYR CA C 13 61.119 0.000 A 81 TYR CB C 13 38.500 0.000 A 81 TYR N N 15 120.191 0.000 A 82 MET H H 1 8.354 0.004 A 82 MET HA H 1 4.222 0.006 A 82 MET HBy H 1 2.270 0.004 A 82 MET HBx H 1 2.150 0.006 A 82 MET HGx H 1 2.609 0.006 A 82 MET HGy H 1 2.732 0.005 A 82 MET CA C 13 58.618 0.000 A 82 MET CB C 13 32.875 0.000 A 82 MET CG C 13 32.539 0.000 A 82 MET N N 15 117.996 0.000 A 83 GLY H H 1 8.365 0.005 A 83 GLY HAx H 1 3.848 0.000 A 83 GLY HAy H 1 4.029 0.000 A 83 GLY CA C 13 47.200 0.000 A 83 GLY N N 15 106.902 0.000 A 84 ALA H H 1 7.950 0.005 A 84 ALA HA H 1 4.318 0.008 A 84 ALA HB% H 1 1.551 0.009 A 84 ALA CA C 13 54.278 0.000 A 84 ALA CB C 13 18.569 0.000 A 84 ALA N N 15 124.830 0.000 A 85 ALA H H 1 8.274 0.004 A 85 ALA HA H 1 4.037 0.006 A 85 ALA HB% H 1 1.535 0.007 A 85 ALA CA C 13 54.979 0.000 A 85 ALA CB C 13 18.500 0.000 A 85 ALA N N 15 120.542 0.000 A 86 LYS H H 1 8.265 0.004 A 86 LYS HA H 1 3.887 0.006 A 86 LYS HBy H 1 2.006 0.004 A 86 LYS HBx H 1 1.957 0.007 A 86 LYS HDy H 1 1.802 0.001 A 86 LYS HDx H 1 1.791 0.001 A 86 LYS HE2 H 1 2.930 0.000 A 86 LYS HE3 H 1 2.930 0.000 A 86 LYS HGy H 1 1.602 0.000 A 86 LYS HGx H 1 1.501 0.004 A 86 LYS CA C 13 60.060 0.000 A 86 LYS CB C 13 32.300 0.000 A 86 LYS CD C 13 28.780 0.000 A 86 LYS CG C 13 24.910 0.000 A 86 LYS N N 15 116.920 0.000 A 87 SER H H 1 7.926 0.002 A 87 SER HA H 1 4.312 0.006 A 87 SER HBy H 1 4.061 0.004 A 87 SER HBx H 1 3.980 0.015 A 87 SER CA C 13 61.330 0.000 A 87 SER CB C 13 62.900 0.000 A 87 SER N N 15 113.664 0.000 A 88 LYS H H 1 7.859 0.005 A 88 LYS HA H 1 4.386 0.001 A 88 LYS HBx H 1 1.905 0.001 A 88 LYS HBy H 1 2.006 0.002 A 88 LYS HDx H 1 1.799 0.001 A 88 LYS HDy H 1 1.807 0.003 A 88 LYS HE2 H 1 2.930 0.000 A 88 LYS HE3 H 1 2.930 0.000 A 88 LYS HGy H 1 1.675 0.008 A 88 LYS HGx H 1 1.580 0.010 A 88 LYS CA C 13 57.344 0.000 A 88 LYS CB C 13 31.800 0.000 A 88 LYS CD C 13 28.780 0.000 A 88 LYS CG C 13 24.910 0.000 A 88 LYS N N 15 120.310 0.000 A 89 LEU H H 1 8.158 0.003 A 89 LEU HA H 1 4.101 0.014 A 89 LEU HBx H 1 1.799 0.003 A 89 LEU HBy H 1 1.821 0.008 A 89 LEU HDx% H 1 0.938 0.008 A 89 LEU HDy% H 1 0.927 0.007 A 89 LEU HG H 1 1.604 0.011 A 89 LEU CA C 13 58.067 0.000 A 89 LEU CB C 13 41.500 0.000 A 89 LEU CD1 C 13 24.730 0.000 A 89 LEU CD2 C 13 24.100 0.000 A 89 LEU CG C 13 26.770 0.000 A 89 LEU N N 15 119.648 0.000 A 90 ASN H H 1 8.240 0.005 A 90 ASN HA H 1 4.398 0.001 A 90 ASN HBx H 1 2.930 0.002 A 90 ASN HBy H 1 2.969 0.003 A 90 ASN HD2y H 1 7.270 0.000 A 90 ASN HD2x H 1 7.200 0.000 A 90 ASN CA C 13 57.059 0.000 A 90 ASN CB C 13 38.500 0.000 A 90 ASN N N 15 117.422 0.000 A 91 ASP H H 1 8.111 0.004 A 91 ASP HA H 1 4.441 0.005 A 91 ASP HBy H 1 2.967 0.007 A 91 ASP HBx H 1 2.659 0.008 A 91 ASP CA C 13 57.344 0.000 A 91 ASP CB C 13 40.300 0.000 A 91 ASP N N 15 119.945 0.000 A 92 ALA H H 1 8.240 0.005 A 92 ALA HA H 1 4.174 0.007 A 92 ALA HB% H 1 1.611 0.002 A 92 ALA CA C 13 55.373 0.000 A 92 ALA CB C 13 18.300 0.000 A 92 ALA N N 15 123.226 0.000 A 93 VAL H H 1 8.410 0.001 A 93 VAL HA H 1 3.599 0.007 A 93 VAL HB H 1 2.343 0.002 A 93 VAL HGx% H 1 1.151 0.005 A 93 VAL HGy% H 1 1.009 0.003 A 93 VAL CA C 13 66.893 0.000 A 93 VAL CB C 13 31.613 0.000 A 93 VAL CG1 C 13 23.132 0.000 A 93 VAL CG2 C 13 21.446 0.000 A 93 VAL N N 15 117.940 0.000 A 94 GLU H H 1 8.289 0.004 A 94 GLU HA H 1 4.050 0.005 A 94 GLU HBy H 1 2.175 0.006 A 94 GLU HBx H 1 2.161 0.005 A 94 GLU HG2 H 1 2.310 0.000 A 94 GLU HG3 H 1 2.309 0.001 A 94 GLU CA C 13 59.600 0.000 A 94 GLU CB C 13 29.600 0.000 A 94 GLU CG C 13 36.010 0.000 A 94 GLU N N 15 120.610 0.000 A 95 TYR H H 1 8.186 0.003 A 95 TYR HA H 1 4.270 0.001 A 95 TYR HBy H 1 3.270 0.008 A 95 TYR HBx H 1 3.235 0.002 A 95 TYR CA C 13 61.300 0.000 A 95 TYR CB C 13 38.700 0.000 A 95 TYR N N 15 120.241 0.000 A 96 VAL H H 1 8.394 0.006 A 96 VAL HA H 1 3.546 0.004 A 96 VAL HB H 1 2.233 0.000 A 96 VAL HGx% H 1 1.021 0.006 A 96 VAL HGy% H 1 1.231 0.005 A 96 VAL CA C 13 66.070 0.000 A 96 VAL CB C 13 31.745 0.000 A 96 VAL CG1 C 13 22.075 0.000 A 96 VAL CG2 C 13 22.871 0.000 A 96 VAL N N 15 116.942 0.000 A 97 SER H H 1 8.433 0.001 A 97 SER HA H 1 4.145 0.000 A 97 SER HBy H 1 4.026 0.008 A 97 SER HBx H 1 3.963 0.003 A 97 SER CA C 13 61.393 0.000 A 97 SER CB C 13 63.415 0.000 A 97 SER N N 15 113.924 0.000 A 98 GLY H H 1 7.899 0.005 A 98 GLY HAx H 1 3.935 0.000 A 98 GLY HAy H 1 3.964 0.000 A 98 GLY CA C 13 46.298 0.000 A 98 GLY N N 15 107.509 0.000 A 99 ARG H H 1 7.696 0.005 A 99 ARG HA H 1 4.268 0.002 A 99 ARG HBx H 1 1.744 0.004 A 99 ARG HBy H 1 1.814 0.005 A 99 ARG HDx H 1 3.041 0.007 A 99 ARG HDy H 1 3.076 0.009 A 99 ARG HGy H 1 1.510 0.006 A 99 ARG HGx H 1 1.505 0.009 A 99 ARG CA C 13 56.527 0.000 A 99 ARG CB C 13 30.300 0.000 A 99 ARG CD C 13 43.100 0.000 A 99 ARG CG C 13 27.310 0.000 A 99 ARG N N 15 119.471 0.000 A 100 VAL H H 1 7.906 0.005 A 100 VAL HA H 1 3.960 0.004 A 100 VAL HB H 1 2.044 0.003 A 100 VAL HGx% H 1 0.804 0.009 A 100 VAL HGy% H 1 0.912 0.001 A 100 VAL CA C 13 63.400 0.000 A 100 VAL CB C 13 32.320 0.000 A 100 VAL CG1 C 13 21.380 0.000 A 100 VAL CG2 C 13 21.310 0.000 A 100 VAL N N 15 117.316 0.000 A 101 HIS H H 1 8.130 0.006 A 101 HIS HA H 1 4.701 0.006 A 101 HIS HBx H 1 3.166 0.005 A 101 HIS HBy H 1 3.294 0.000 A 101 HIS CA C 13 56.200 0.000 A 101 HIS CB C 13 30.048 0.000 A 101 HIS N N 15 119.155 0.000 A 102 GLY H H 1 8.086 0.003 A 102 GLY HAx H 1 3.930 0.000 A 102 GLY HAy H 1 3.950 0.000 A 102 GLY CA C 13 45.333 0.000 A 102 GLY N N 15 109.145 0.000 A 103 GLU H H 1 7.932 0.000 A 103 GLU HA H 1 4.330 0.000 A 103 GLU HBx H 1 1.902 0.000 A 103 GLU HBy H 1 2.054 0.000 A 103 GLU HG2 H 1 2.310 0.000 A 103 GLU HG3 H 1 2.310 0.000 A 103 GLU CA C 13 62.300 0.000 A 103 GLU CB C 13 32.754 0.000 A 103 GLU CG C 13 36.010 0.000 A 103 GLU N N 15 119.345 0.000 A 104 GLU H H 1 8.325 0.000 A 104 GLU HA H 1 4.272 0.000 A 104 GLU HBx H 1 1.921 0.000 A 104 GLU HBy H 1 2.015 0.000 A 104 GLU HG2 H 1 2.310 0.000 A 104 GLU HG3 H 1 2.310 0.000 A 104 GLU CA C 13 56.232 0.000 A 104 GLU CB C 13 30.500 0.000 A 104 GLU CG C 13 36.010 0.000 A 104 GLU N N 15 122.105 0.000 A 105 ASP H H 1 8.077 0.000 A 105 ASP HA H 1 4.610 0.000 A 105 ASP HBy H 1 2.740 0.000 A 105 ASP HBx H 1 2.700 0.000 A 105 ASP CA C 13 54.520 0.000 A 105 ASP CB C 13 40.700 0.000 A 105 ASP N N 15 124.188 0.000 A 106 PRO HA H 1 4.484 0.000 A 106 PRO HBx H 1 2.050 0.000 A 106 PRO HBy H 1 2.323 0.000 A 106 PRO HDy H 1 3.640 0.000 A 106 PRO HDx H 1 3.630 0.000 A 106 PRO HGy H 1 1.930 0.000 A 106 PRO HGx H 1 1.920 0.000 A 106 PRO CA C 13 63.824 0.000 A 106 PRO CB C 13 32.200 0.000 A 107 THR H H 1 8.339 0.004 A 107 THR HA H 1 4.273 0.001 A 107 THR HB H 1 4.266 0.008 A 107 THR HG2% H 1 1.254 0.002 A 107 THR CA C 13 62.700 0.000 A 107 THR CB C 13 69.400 0.000 A 107 THR CG2 C 13 21.440 0.000 A 107 THR N N 15 111.950 0.000 A 108 LYS H H 1 7.727 0.005 A 108 LYS HA H 1 4.357 0.000 A 108 LYS HBx H 1 1.759 0.000 A 108 LYS HBy H 1 1.915 0.000 A 108 LYS HD2 H 1 1.610 0.000 A 108 LYS HD3 H 1 1.610 0.000 A 108 LYS HGy H 1 1.380 0.000 A 108 LYS HGx H 1 1.370 0.000 A 108 LYS CA C 13 56.000 0.000 A 108 LYS CB C 13 32.800 0.000 A 108 LYS N N 15 123.349 0.000 A 109 LYS H H 1 7.685 0.000 A 109 LYS HA H 1 4.280 0.000 A 109 LYS HBy H 1 1.790 0.000 A 109 LYS HBx H 1 1.780 0.000 A 109 LYS HD2 H 1 1.610 0.000 A 109 LYS HD3 H 1 1.610 0.000 A 109 LYS CA C 13 57.517 0.000 A 109 LYS CB C 13 33.805 0.000 A 109 LYS N N 15 127.890 0.000 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 74 LEU HA A 74 LEU HG 1.0 . 4.07 2 2 A 74 LEU HA A 74 LEU HDy% 1.0 . 3.21 3 3 A 74 LEU HA A 74 LEU HDx% 1.0 . 3.21 4 4 A 77 GLN HA A 77 GLN HGx 1.0 . 3.31 5 5 A 77 GLN HA A 77 GLN HGy 1.0 . 3.31 6 6 A 78 ALA H A 78 ALA HB% 1.0 . 2.49 7 7 A 79 ARG HA A 79 ARG HGy 1.0 . 3.70 8 8 A 79 ARG HA A 79 ARG HGx 1.0 . 3.70 9 9 A 79 ARG H A 79 ARG HBy 1.0 . 3.46 10 10 A 79 ARG HDy A 79 ARG HBy 1.0 . 4.05 11 11 A 79 ARG HBx A 79 ARG HDy 1.0 . 4.05 12 12 A 79 ARG HBy A 79 ARG HDx 1.0 . 4.05 13 13 A 79 ARG HBx A 79 ARG HDx 1.0 . 4.05 14 14 A 81 TYR H A 81 TYR HBy 1.0 . 3.41 15 15 A 81 TYR H A 81 TYR HBx 1.0 . 3.41 16 16 A 82 MET HBy A 82 MET HGx 1.0 . 2.70 17 17 A 82 MET HGx A 82 MET HBx 1.0 . 2.70 18 18 A 82 MET HBx A 82 MET HGy 1.0 . 2.70 19 19 A 82 MET HA A 82 MET HGx 1.0 . 3.62 20 20 A 82 MET HA A 82 MET HGy 1.0 . 3.62 21 21 A 82 MET HBy A 82 MET HGy 1.0 . 2.70 22 22 A 84 ALA H A 84 ALA HB% 1.0 . 2.46 23 23 A 86 LYS HA A 86 LYS HGy 1.0 . 4.17 24 24 A 86 LYS HA A 86 LYS HGx 1.0 . 4.17 25 25 A 86 LYS HA A 89 LEU HBx 1.0 . 3.89 26 26 A 86 LYS HA A 89 LEU HBy 1.0 . 3.89 27 27 A 88 LYS HA A 88 LYS HGy 1.0 . 3.60 28 28 A 88 LYS HA A 88 LYS HGx 1.0 . 3.60 29 29 A 89 LEU H A 89 LEU HA 1.0 . 2.91 30 30 A 89 LEU HA A 89 LEU HBx 1.0 . 2.94 31 31 A 89 LEU HA A 89 LEU HG 1.0 . 3.60 32 32 A 89 LEU H A 89 LEU HBx 1.0 . 3.21 33 33 A 89 LEU HBx A 89 LEU HDx% 1.0 . 3.12 34 34 A 89 LEU H A 89 LEU HBy 1.0 . 3.21 35 35 A 89 LEU HA A 89 LEU HBy 1.0 . 2.94 36 36 A 89 LEU HBy A 89 LEU HDx% 1.0 . 3.12 37 37 A 89 LEU HA A 89 LEU HDx% 1.0 . 3.19 38 38 A 89 LEU HA A 89 LEU HDy% 1.0 . 3.19 39 39 A 89 LEU HDy% A 89 LEU HBx 1.0 . 3.12 40 40 A 89 LEU HBy A 89 LEU HDy% 1.0 . 3.12 41 41 A 90 ASN HA A 90 ASN HBx 1.0 . 2.88 42 42 A 90 ASN H A 90 ASN HBy 1.0 . 2.85 43 43 A 90 ASN HA A 90 ASN HBy 1.0 . 2.88 44 44 A 93 VAL H A 93 VAL HA 1.0 . 2.93 45 45 A 93 VAL HA A 93 VAL HGx% 1.0 . 2.73 46 46 A 93 VAL H A 93 VAL HGx% 1.0 . 3.45 47 47 A 93 VAL HA A 93 VAL HGy% 1.0 . 2.73 48 48 A 95 TYR H A 95 TYR HBx 1.0 . 3.02 49 49 A 96 VAL HA A 96 VAL HGy% 1.0 . 2.48 50 50 A 96 VAL HA A 96 VAL HGx% 1.0 . 2.90 51 51 A 97 SER H A 97 SER HBy 1.0 . 3.05 52 52 A 100 VAL HA A 100 VAL HGx% 1.0 . 3.07 53 53 A 100 VAL HA A 100 VAL HGy% 1.0 . 3.07 54 54 A 84 ALA HB% A 85 ALA H 1.0 . 2.78 55 55 A 89 LEU HA A 90 ASN H 1.0 . 3.38 56 56 A 90 ASN H A 89 LEU HDx% 1.0 . 4.36 57 57 A 90 ASN HA A 91 ASP H 1.0 . 3.40 58 58 A 91 ASP H A 90 ASN HBy 1.0 . 3.39 59 59 A 91 ASP HA A 92 ALA H 1.0 . 3.22 60 60 A 93 VAL H A 92 ALA HB% 1.0 . 2.80 61 61 A 94 GLU H A 93 VAL HGx% 1.0 . 3.43 62 62 A 94 GLU H A 93 VAL HGy% 1.0 . 3.43 63 63 A 97 SER H A 96 VAL HB 1.0 . 2.92 64 64 A 96 VAL HGx% A 97 SER H 1.0 . 3.24 65 65 A 96 VAL HGy% A 97 SER H 1.0 . 3.31 66 66 A 78 ALA HB% A 75 ALA HA 1.0 . 2.87 67 67 A 76 ASP HA A 79 ARG HBy 1.0 . 3.64 68 68 A 76 ASP HA A 79 ARG HBx 1.0 . 3.64 69 69 A 77 GLN HA A 80 ASP HBx 1.0 . 3.61 70 70 A 78 ALA HA A 81 TYR HBx 1.0 . 3.69 71 71 A 79 ARG HA A 82 MET HBy 1.0 . 3.66 72 72 A 78 ALA HA A 81 TYR HBy 1.0 . 3.69 73 73 A 77 GLN HA A 80 ASP HBy 1.0 . 3.61 74 74 A 79 ARG HA A 82 MET HBx 1.0 . 3.66 75 75 A 84 ALA HB% A 81 TYR HA 1.0 . 3.12 76 76 A 82 MET HA A 85 ALA HB% 1.0 . 3.04 77 77 A 85 ALA HA A 88 LYS HBx 1.0 . 3.63 78 78 A 85 ALA HA A 88 LYS HBy 1.0 . 3.83 79 79 A 87 SER HA A 90 ASN HBx 1.0 . 4.27 80 80 A 87 SER HA A 90 ASN HBy 1.0 . 4.27 81 81 A 88 LYS HA A 91 ASP HBx 1.0 . 4.09 82 82 A 88 LYS HA A 91 ASP HBy 1.0 . 4.09 83 83 A 89 LEU HA A 92 ALA HB% 1.0 . 3.17 84 84 A 90 ASN HA A 93 VAL HB 1.0 . 3.65 85 85 A 90 ASN HA A 93 VAL HGx% 1.0 . 3.97 86 86 A 90 ASN HA A 93 VAL HGy% 1.0 . 3.97 87 87 A 92 ALA HA A 95 TYR HBx 1.0 . 3.57 88 88 A 92 ALA HA A 95 TYR HBy 1.0 . 3.57 89 89 A 96 VAL HA A 99 ARG HBy 1.0 . 4.39 90 90 A 96 VAL HA A 99 ARG HBx 1.0 . 4.25 91 91 A 97 SER HA A 100 VAL HB 1.0 . 3.49 92 92 A 72 GLU HA A 73 SER H 1.0 . 2.99 93 93 A 74 LEU H A 73 SER HBx 1.0 . 3.98 94 94 A 74 LEU H A 73 SER HBy 1.0 . 3.98 95 95 A 74 LEU HA A 75 ALA H 1.0 . 3.19 96 96 A 75 ALA H A 74 LEU HBx 1.0 . 3.55 97 97 A 75 ALA H A 74 LEU HBy 1.0 . 3.55 98 98 A 75 ALA H A 76 ASP H 1.0 . 2.98 99 99 A 76 ASP H A 75 ALA HB% 1.0 . 2.78 100 100 A 76 ASP HA A 77 GLN H 1.0 . 3.57 101 101 A 78 ALA H A 77 GLN H 1.0 . 2.86 102 102 A 77 GLN HA A 78 ALA H 1.0 . 3.35 103 103 A 78 ALA H A 77 GLN HBx 1.0 . 3.95 104 104 A 78 ALA H A 77 GLN HBy 1.0 . 3.95 105 105 A 78 ALA H A 79 ARG H 1.0 . 3.24 106 106 A 79 ARG H A 78 ALA HA 1.0 . 3.53 107 107 A 78 ALA HB% A 79 ARG H 1.0 . 3.10 108 108 A 80 ASP H A 79 ARG HBy 1.0 . 4.05 109 109 A 80 ASP H A 79 ARG HBx 1.0 . 4.05 110 110 A 81 TYR H A 80 ASP H 1.0 . 3.12 111 111 A 81 TYR H A 80 ASP HBx 1.0 . 3.38 112 112 A 81 TYR H A 80 ASP HBy 1.0 . 3.38 113 113 A 81 TYR H A 82 MET H 1.0 . 3.24 114 114 A 83 GLY H A 82 MET HBy 1.0 . 3.78 115 115 A 83 GLY H A 82 MET HBx 1.0 . 3.78 116 116 A 83 GLY H A 82 MET HGx 1.0 . 4.61 117 117 A 83 GLY H A 82 MET HGy 1.0 . 4.61 118 118 A 84 ALA H A 83 GLY HAx 1.0 . 3.42 119 119 A 84 ALA H A 83 GLY HAy 1.0 . 3.08 120 120 A 84 ALA H A 85 ALA H 1.0 . 2.84 121 121 A 85 ALA H A 84 ALA HA 1.0 . 3.27 122 122 A 85 ALA HA A 86 LYS H 1.0 . 3.21 123 123 A 85 ALA HB% A 86 LYS H 1.0 . 3.36 124 124 A 87 SER H A 86 LYS HBy 1.0 . 3.94 125 125 A 87 SER H A 86 LYS HBx 1.0 . 3.94 126 126 A 87 SER H A 88 LYS H 1.0 . 3.81 127 127 A 89 LEU H A 88 LYS H 1.0 . 2.79 128 128 A 88 LYS HA A 89 LEU H 1.0 . 3.44 129 129 A 89 LEU H A 88 LYS HBy 1.0 . 3.92 130 130 A 89 LEU H A 88 LYS HBx 1.0 . 3.59 131 131 A 90 ASN H A 89 LEU HBx 1.0 . 3.73 132 132 A 90 ASN H A 89 LEU HBy 1.0 . 3.73 133 133 A 89 LEU HG A 90 ASN H 1.0 . 4.77 134 134 A 90 ASN H A 89 LEU HDy% 1.0 . 4.36 135 135 A 91 ASP H A 90 ASN HBx 1.0 . 3.39 136 136 A 91 ASP H A 92 ALA H 1.0 . 2.94 137 137 A 92 ALA H A 91 ASP HBy 1.0 . 3.13 138 138 A 92 ALA H A 91 ASP HBx 1.0 . 3.13 139 139 A 94 GLU H A 93 VAL HB 1.0 . 3.96 140 140 A 95 TYR H A 96 VAL H 1.0 . 2.86 141 141 A 96 VAL H A 95 TYR HBy 1.0 . 3.63 142 142 A 96 VAL H A 95 TYR HBx 1.0 . 3.63 143 143 A 97 SER HA A 98 GLY H 1.0 . 3.45 144 144 A 98 GLY HAx A 99 ARG H 1.0 . 3.50 145 145 A 99 ARG H A 98 GLY HAy 1.0 . 3.00 146 146 A 99 ARG H A 100 VAL H 1.0 . 2.88 147 147 A 100 VAL H A 99 ARG HA 1.0 . 3.16 148 148 A 99 ARG HBx A 100 VAL H 1.0 . 3.96 149 149 A 99 ARG HBy A 100 VAL H 1.0 . 3.41 150 150 A 100 VAL HB A 101 HIS H 1.0 . 4.29 151 151 A 101 HIS H A 100 VAL HGx% 1.0 . 5.30 152 152 A 101 HIS H A 100 VAL HGy% 1.0 . 5.30 153 153 A 73 SER H A 73 SER HA 1.0 . 2.94 154 154 A 73 SER H A 73 SER HBx 1.0 . 3.70 155 155 A 73 SER H A 73 SER HBy 1.0 . 3.70 156 156 A 74 LEU H A 74 LEU HBx 1.0 . 3.59 157 157 A 74 LEU H A 74 LEU HBy 1.0 . 3.59 158 158 A 74 LEU H A 74 LEU HDx% 1.0 . 5.35 159 159 A 74 LEU H A 74 LEU HDy% 1.0 . 5.35 160 160 A 75 ALA HA A 75 ALA H 1.0 . 2.86 161 161 A 75 ALA H A 75 ALA HB% 1.0 . 2.55 162 162 A 76 ASP H A 76 ASP HBy 1.0 . 3.25 163 163 A 76 ASP H A 76 ASP HBx 1.0 . 3.25 164 164 A 77 GLN HA A 77 GLN H 1.0 . 2.89 165 165 A 77 GLN H A 77 GLN HBx 1.0 . 3.50 166 166 A 77 GLN H A 77 GLN HBy 1.0 . 3.50 167 167 A 77 GLN H A 77 GLN HGx 1.0 . 3.36 168 168 A 77 GLN H A 77 GLN HGy 1.0 . 3.36 169 169 A 79 ARG H A 79 ARG HBx 1.0 . 3.46 170 170 A 80 ASP HBx A 80 ASP H 1.0 . 3.08 171 171 A 80 ASP HBy A 80 ASP H 1.0 . 3.08 172 172 A 82 MET H A 82 MET HBy 1.0 . 3.18 173 173 A 82 MET H A 82 MET HBx 1.0 . 3.18 174 174 A 82 MET H A 82 MET HGx 1.0 . 3.32 175 175 A 82 MET H A 82 MET HGy 1.0 . 3.32 176 176 A 83 GLY H A 83 GLY HAx 1.0 . 2.81 177 177 A 83 GLY H A 83 GLY HAy 1.0 . 2.72 178 178 A 85 ALA H A 85 ALA HA 1.0 . 2.64 179 179 A 85 ALA H A 85 ALA HB% 1.0 . 2.53 180 180 A 86 LYS HA A 86 LYS H 1.0 . 2.90 181 181 A 86 LYS H A 86 LYS HBy 1.0 . 3.50 182 182 A 86 LYS H A 86 LYS HBx 1.0 . 3.50 183 183 A 86 LYS H A 86 LYS HGy 1.0 . 3.49 184 184 A 86 LYS H A 86 LYS HGx 1.0 . 3.49 185 185 A 86 LYS H A 86 LYS HDy 1.0 . 4.30 186 186 A 86 LYS H A 86 LYS HDx 1.0 . 4.30 187 187 A 87 SER H A 87 SER HBy 1.0 . 3.49 188 188 A 87 SER H A 87 SER HBx 1.0 . 3.49 189 189 A 88 LYS HBy A 88 LYS H 1.0 . 3.29 190 190 A 88 LYS HBx A 88 LYS H 1.0 . 2.90 191 191 A 88 LYS HGy A 88 LYS H 1.0 . 3.35 192 192 A 88 LYS HGx A 88 LYS H 1.0 . 3.35 193 193 A 89 LEU H A 89 LEU HDx% 1.0 . 3.86 194 194 A 89 LEU H A 89 LEU HDy% 1.0 . 3.86 195 195 A 90 ASN HA A 90 ASN H 1.0 . 2.88 196 196 A 90 ASN H A 90 ASN HBx 1.0 . 2.85 197 197 A 91 ASP H A 91 ASP HA 1.0 . 2.92 198 198 A 92 ALA H A 92 ALA HA 1.0 . 2.71 199 199 A 92 ALA H A 92 ALA HB% 1.0 . 2.43 200 200 A 93 VAL H A 93 VAL HB 1.0 . 2.77 201 201 A 93 VAL H A 93 VAL HGy% 1.0 . 3.45 202 202 A 94 GLU H A 94 GLU HA 1.0 . 2.87 203 203 A 94 GLU H A 94 GLU HBy 1.0 . 2.89 204 204 A 94 GLU H A 94 GLU HBx 1.0 . 2.89 205 205 A 95 TYR H A 95 TYR HBy 1.0 . 3.02 206 206 A 96 VAL HB A 96 VAL H 1.0 . 2.75 207 207 A 96 VAL HGx% A 96 VAL H 1.0 . 4.19 208 208 A 96 VAL HGy% A 96 VAL H 1.0 . 2.86 209 209 A 97 SER H A 97 SER HA 1.0 . 2.85 210 210 A 97 SER H A 97 SER HBx 1.0 . 3.05 211 211 A 98 GLY H A 98 GLY HAx 1.0 . 2.90 212 212 A 99 ARG H A 99 ARG HA 1.0 . 2.91 213 213 A 99 ARG HBx A 99 ARG H 1.0 . 2.71 214 214 A 99 ARG HBy A 99 ARG H 1.0 . 2.89 215 215 A 100 VAL HA A 100 VAL H 1.0 . 2.84 216 216 A 100 VAL HB A 100 VAL H 1.0 . 2.83 217 217 A 100 VAL H A 100 VAL HGx% 1.0 . 3.48 218 218 A 100 VAL H A 100 VAL HGy% 1.0 . 3.48 219 219 A 74 LEU H A 75 ALA H 1.0 . 3.67 220 220 A 76 ASP H A 77 GLN H 1.0 . 2.95 221 221 A 79 ARG H A 80 ASP H 1.0 . 3.37 222 222 A 84 ALA H A 83 GLY H 1.0 . 3.14 223 223 A 86 LYS H A 87 SER H 1.0 . 3.04 224 224 A 89 LEU H A 90 ASN H 1.0 . 3.12 225 225 A 90 ASN H A 91 ASP H 1.0 . 2.94 226 226 A 93 VAL H A 92 ALA H 1.0 . 2.87 227 227 A 93 VAL H A 94 GLU H 1.0 . 2.97 228 228 A 95 TYR H A 94 GLU H 1.0 . 3.18 229 229 A 97 SER H A 96 VAL H 1.0 . 3.20 230 230 A 97 SER H A 98 GLY H 1.0 . 2.97 231 231 A 98 GLY H A 99 ARG H 1.0 . 2.78 232 232 A 100 VAL H A 101 HIS H 1.0 . 3.78 233 233 A 78 ALA H A 75 ALA HA 1.0 . 3.82 234 234 A 79 ARG H A 76 ASP HA 1.0 . 3.77 235 235 A 77 GLN HA A 80 ASP H 1.0 . 3.70 236 236 A 81 TYR H A 78 ALA HA 1.0 . 3.52 237 237 A 79 ARG HA A 82 MET H 1.0 . 3.74 238 238 A 84 ALA H A 81 TYR HA 1.0 . 3.40 239 239 A 82 MET HA A 86 LYS H 1.0 . 4.70 240 240 A 82 MET HA A 85 ALA H 1.0 . 3.65 241 241 A 90 ASN H A 87 SER HA 1.0 . 3.76 242 242 A 86 LYS HA A 89 LEU H 1.0 . 3.89 243 243 A 89 LEU HA A 91 ASP H 1.0 . 3.92 244 244 A 89 LEU HA A 92 ALA H 1.0 . 3.79 245 245 A 90 ASN HA A 93 VAL H 1.0 . 3.35 246 246 A 89 LEU HA A 93 VAL H 1.0 . 4.31 247 247 A 91 ASP HA A 94 GLU H 1.0 . 3.76 248 248 A 90 ASN HA A 94 GLU H 1.0 . 4.31 249 249 A 92 ALA HA A 96 VAL H 1.0 . 4.17 250 250 A 93 VAL HA A 96 VAL H 1.0 . 3.49 251 251 A 78 ALA H A 76 ASP H 1.0 . 4.75 252 252 A 89 LEU H A 87 SER H 1.0 . 4.29 253 253 A 90 ASN H A 88 LYS H 1.0 . 4.65 254 254 A 97 SER H A 99 ARG H 1.0 . 4.20 255 255 A 95 TYR H A 97 SER H 1.0 . 4.01 256 256 A 86 LYS H A 88 LYS H 1.0 . 3.80 257 257 A 96 VAL HA A 99 ARG H 1.0 . 3.59 258 258 A 73 SER H A 72 GLU HBx 1.0 . 4.02 259 258 A 73 SER H A 72 GLU HBy 1.0 . 4.02 260 259 A 73 SER H A 73 SER HBx 1.0 . 3.22 261 259 A 73 SER H A 73 SER HBy 1.0 . 3.22 262 260 A 74 LEU H A 74 LEU HBx 1.0 . 2.87 263 260 A 74 LEU H A 74 LEU HBy 1.0 . 2.87 264 261 A 74 LEU H A 74 LEU HDx% 1.0 . 4.54 265 261 A 74 LEU H A 74 LEU HDy% 1.0 . 4.54 266 262 A 74 LEU HA A 74 LEU HDx% 1.0 . 2.76 267 262 A 74 LEU HA A 74 LEU HDy% 1.0 . 2.76 268 263 A 74 LEU HBx A 74 LEU HDx% 1.0 . 2.68 269 263 A 74 LEU HBy A 74 LEU HDx% 1.0 . 2.68 270 263 A 74 LEU HDy% A 74 LEU HBx 1.0 . 2.68 271 263 A 74 LEU HBy A 74 LEU HDy% 1.0 . 2.68 272 264 A 75 ALA H A 74 LEU HBx 1.0 . 3.11 273 264 A 75 ALA H A 74 LEU HBy 1.0 . 3.11 274 265 A 76 ASP H A 76 ASP HBy 1.0 . 2.52 275 265 A 76 ASP H A 76 ASP HBx 1.0 . 2.52 276 266 A 76 ASP HA A 79 ARG HBy 1.0 . 3.08 277 266 A 76 ASP HA A 79 ARG HBx 1.0 . 3.08 278 267 A 77 GLN H A 76 ASP HBy 1.0 . 2.97 279 267 A 77 GLN H A 76 ASP HBx 1.0 . 2.97 280 268 A 77 GLN H A 77 GLN HBy 1.0 . 2.88 281 268 A 77 GLN H A 77 GLN HBx 1.0 . 2.88 282 269 A 77 GLN H A 77 GLN HGy 1.0 . 2.83 283 269 A 77 GLN H A 77 GLN HGx 1.0 . 2.83 284 270 A 77 GLN HA A 77 GLN HGy 1.0 . 2.72 285 270 A 77 GLN HA A 77 GLN HGx 1.0 . 2.72 286 271 A 77 GLN HA A 77 GLN HE2x 1.0 . 5.31 287 271 A 77 GLN HA A 77 GLN HE2y 1.0 . 5.31 288 272 A 77 GLN HBx A 77 GLN HE2x 1.0 . 4.47 289 272 A 77 GLN HBy A 77 GLN HE2x 1.0 . 4.47 290 272 A 77 GLN HE2y A 77 GLN HBy 1.0 . 4.47 291 272 A 77 GLN HBx A 77 GLN HE2y 1.0 . 4.47 292 273 A 78 ALA H A 77 GLN HBy 1.0 . 3.40 293 273 A 78 ALA H A 77 GLN HBx 1.0 . 3.40 294 274 A 77 GLN HE2y A 77 GLN HGy 1.0 . 3.12 295 274 A 77 GLN HE2x A 77 GLN HGy 1.0 . 3.12 296 274 A 77 GLN HGx A 77 GLN HE2x 1.0 . 3.12 297 274 A 77 GLN HGx A 77 GLN HE2y 1.0 . 3.12 298 275 A 78 ALA H A 77 GLN HGy 1.0 . 3.89 299 275 A 78 ALA H A 77 GLN HGx 1.0 . 3.89 300 276 A 79 ARG H A 79 ARG HBy 1.0 . 2.86 301 276 A 79 ARG H A 79 ARG HBx 1.0 . 2.86 302 277 A 79 ARG H A 79 ARG HGx 1.0 . 3.41 303 277 A 79 ARG H A 79 ARG HGy 1.0 . 3.41 304 278 A 79 ARG HA A 79 ARG HGx 1.0 . 3.20 305 278 A 79 ARG HA A 79 ARG HGy 1.0 . 3.20 306 279 A 79 ARG HA A 82 MET HBx 1.0 . 3.19 307 279 A 79 ARG HA A 82 MET HBy 1.0 . 3.19 308 280 A 79 ARG HBy A 79 ARG HDx 1.0 . 2.90 309 280 A 79 ARG HBx A 79 ARG HDx 1.0 . 2.90 310 280 A 79 ARG HDy A 79 ARG HBy 1.0 . 2.90 311 280 A 79 ARG HBx A 79 ARG HDy 1.0 . 2.90 312 281 A 80 ASP H A 79 ARG HBy 1.0 . 3.32 313 281 A 80 ASP H A 79 ARG HBx 1.0 . 3.32 314 282 A 79 ARG HDy A 79 ARG HGx 1.0 . 2.33 315 282 A 79 ARG HDx A 79 ARG HGx 1.0 . 2.33 316 282 A 79 ARG HGy A 79 ARG HDx 1.0 . 2.33 317 282 A 79 ARG HGy A 79 ARG HDy 1.0 . 2.33 318 283 A 81 TYR H A 81 TYR HBx 1.0 . 2.78 319 283 A 81 TYR H A 81 TYR HBy 1.0 . 2.78 320 284 A 82 MET H A 81 TYR HBx 1.0 . 3.19 321 284 A 82 MET H A 81 TYR HBy 1.0 . 3.19 322 285 A 82 MET H A 82 MET HBx 1.0 . 2.76 323 285 A 82 MET H A 82 MET HBy 1.0 . 2.76 324 286 A 82 MET HA A 82 MET HBx 1.0 . 2.50 325 286 A 82 MET HA A 82 MET HBy 1.0 . 2.50 326 287 A 82 MET HA A 82 MET HGy 1.0 . 3.15 327 287 A 82 MET HA A 82 MET HGx 1.0 . 3.15 328 288 A 82 MET HBx A 82 MET HGy 1.0 . 2.08 329 288 A 82 MET HBy A 82 MET HGy 1.0 . 2.08 330 288 A 82 MET HGx A 82 MET HBx 1.0 . 2.08 331 288 A 82 MET HBy A 82 MET HGx 1.0 . 2.08 332 289 A 83 GLY H A 82 MET HBx 1.0 . 3.29 333 289 A 83 GLY H A 82 MET HBy 1.0 . 3.29 334 290 A 86 LYS H A 86 LYS HDy 1.0 . 3.57 335 290 A 86 LYS H A 86 LYS HDx 1.0 . 3.57 336 291 A 86 LYS HA A 86 LYS HGx 1.0 . 3.51 337 291 A 86 LYS HA A 86 LYS HGy 1.0 . 3.51 338 292 A 86 LYS HA A 89 LEU HBx 1.0 . 3.37 339 292 A 86 LYS HA A 89 LEU HBy 1.0 . 3.37 340 293 A 86 LYS HA A 89 LEU HDx% 1.0 . 3.88 341 293 A 86 LYS HA A 89 LEU HDy% 1.0 . 3.88 342 294 A 86 LYS HBx A 86 LYS HDy 1.0 . 2.64 343 294 A 86 LYS HBy A 86 LYS HDy 1.0 . 2.64 344 294 A 86 LYS HDx A 86 LYS HBx 1.0 . 2.64 345 294 A 86 LYS HDx A 86 LYS HBy 1.0 . 2.64 346 295 A 87 SER H A 86 LYS HBx 1.0 . 3.29 347 295 A 87 SER H A 86 LYS HBy 1.0 . 3.29 348 296 A 87 SER H A 86 LYS HGx 1.0 . 3.73 349 296 A 87 SER H A 86 LYS HGy 1.0 . 3.73 350 297 A 87 SER H A 87 SER HBy 1.0 . 2.87 351 297 A 87 SER H A 87 SER HBx 1.0 . 2.87 352 298 A 87 SER HA A 90 ASN HBx 1.0 . 3.51 353 298 A 87 SER HA A 90 ASN HBy 1.0 . 3.51 354 299 A 88 LYS H A 87 SER HBy 1.0 . 3.09 355 299 A 88 LYS H A 87 SER HBx 1.0 . 3.09 356 300 A 88 LYS HA A 91 ASP HBy 1.0 . 3.57 357 300 A 88 LYS HA A 91 ASP HBx 1.0 . 3.57 358 301 A 89 LEU H A 89 LEU HDx% 1.0 . 3.17 359 301 A 89 LEU H A 89 LEU HDy% 1.0 . 3.17 360 302 A 89 LEU HA A 89 LEU HBx 1.0 . 2.54 361 302 A 89 LEU HA A 89 LEU HBy 1.0 . 2.54 362 303 A 89 LEU HG A 89 LEU HBx 1.0 . 2.60 363 303 A 89 LEU HG A 89 LEU HBy 1.0 . 2.60 364 304 A 89 LEU HBx A 89 LEU HDx% 1.0 . 2.25 365 304 A 89 LEU HBy A 89 LEU HDx% 1.0 . 2.25 366 304 A 89 LEU HDy% A 89 LEU HBx 1.0 . 2.25 367 304 A 89 LEU HBy A 89 LEU HDy% 1.0 . 2.25 368 305 A 90 ASN H A 89 LEU HBx 1.0 . 3.07 369 305 A 90 ASN H A 89 LEU HBy 1.0 . 3.07 370 306 A 90 ASN H A 89 LEU HDx% 1.0 . 3.64 371 306 A 90 ASN H A 89 LEU HDy% 1.0 . 3.64 372 307 A 90 ASN HA A 93 VAL HGy% 1.0 . 3.20 373 307 A 90 ASN HA A 93 VAL HGx% 1.0 . 3.20 374 308 A 91 ASP H A 90 ASN HBx 1.0 . 2.85 375 308 A 91 ASP H A 90 ASN HBy 1.0 . 2.85 376 309 A 91 ASP H A 91 ASP HBy 1.0 . 2.84 377 309 A 91 ASP H A 91 ASP HBx 1.0 . 2.84 378 310 A 91 ASP HA A 94 GLU HBx 1.0 . 4.11 379 310 A 91 ASP HA A 94 GLU HBy 1.0 . 4.11 380 311 A 92 ALA H A 91 ASP HBy 1.0 . 2.68 381 311 A 92 ALA H A 91 ASP HBx 1.0 . 2.68 382 312 A 92 ALA HA A 95 TYR HBx 1.0 . 3.07 383 312 A 92 ALA HA A 95 TYR HBy 1.0 . 3.07 384 313 A 93 VAL H A 93 VAL HGy% 1.0 . 2.88 385 313 A 93 VAL H A 93 VAL HGx% 1.0 . 2.88 386 314 A 93 VAL HA A 93 VAL HGy% 1.0 . 2.37 387 314 A 93 VAL HA A 93 VAL HGx% 1.0 . 2.37 388 315 A 95 TYR H A 95 TYR HBx 1.0 . 2.56 389 315 A 95 TYR H A 95 TYR HBy 1.0 . 2.56 390 316 A 96 VAL H A 95 TYR HBx 1.0 . 2.98 391 316 A 96 VAL H A 95 TYR HBy 1.0 . 2.98 392 317 A 97 SER H A 97 SER HBy 1.0 . 2.58 393 317 A 97 SER H A 97 SER HBx 1.0 . 2.58 394 318 A 97 SER HA A 100 VAL HGy% 1.0 . 3.62 395 318 A 97 SER HA A 100 VAL HGx% 1.0 . 3.62 396 319 A 99 ARG HA A 99 ARG HDx 1.0 . 4.47 397 319 A 99 ARG HA A 99 ARG HDy 1.0 . 4.47 398 320 A 100 VAL H A 100 VAL HGy% 1.0 . 2.60 399 320 A 100 VAL H A 100 VAL HGx% 1.0 . 2.60 400 321 A 100 VAL HA A 100 VAL HGy% 1.0 . 2.56 401 321 A 100 VAL HA A 100 VAL HGx% 1.0 . 2.56 402 322 A 101 HIS H A 100 VAL HGy% 1.0 . 4.44 403 322 A 101 HIS H A 100 VAL HGx% 1.0 . 4.44 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 73 SER C A 74 LEU N A 74 LEU CA A 74 LEU C 1.0 -68.3 -48.3 PHI 2 2 A 74 LEU N A 74 LEU CA A 74 LEU C A 75 ALA N 1.0 -52.0 -18.4 PSI 3 3 A 74 LEU C A 75 ALA N A 75 ALA CA A 75 ALA C 1.0 -71.4 -51.4 PHI 4 4 A 75 ALA N A 75 ALA CA A 75 ALA C A 76 ASP N 1.0 -50.5 -30.5 PSI 5 5 A 75 ALA C A 76 ASP N A 76 ASP CA A 76 ASP C 1.0 -74.6 -54.6 PHI 6 6 A 76 ASP N A 76 ASP CA A 76 ASP C A 77 GLN N 1.0 -49.2 -29.2 PSI 7 7 A 76 ASP C A 77 GLN N A 77 GLN CA A 77 GLN C 1.0 -74.2 -54.0 PHI 8 8 A 77 GLN N A 77 GLN CA A 77 GLN C A 78 ALA N 1.0 -54.8 -27.5 PSI 9 9 A 77 GLN C A 78 ALA N A 78 ALA CA A 78 ALA C 1.0 -72.8 -52.8 PHI 10 10 A 78 ALA N A 78 ALA CA A 78 ALA C A 79 ARG N 1.0 -49.2 -29.2 PSI 11 11 A 78 ALA C A 79 ARG N A 79 ARG CA A 79 ARG C 1.0 -75.1 -55.1 PHI 12 12 A 79 ARG N A 79 ARG CA A 79 ARG C A 80 ASP N 1.0 -52.1 -28.8 PSI 13 13 A 79 ARG C A 80 ASP N A 80 ASP CA A 80 ASP C 1.0 -75.3 -55.3 PHI 14 14 A 80 ASP N A 80 ASP CA A 80 ASP C A 81 TYR N 1.0 -49.8 -29.8 PSI 15 15 A 80 ASP C A 81 TYR N A 81 TYR CA A 81 TYR C 1.0 -76.3 -51.7 PHI 16 16 A 81 TYR N A 81 TYR CA A 81 TYR C A 82 MET N 1.0 -49.6 -28.5 PSI 17 17 A 81 TYR C A 82 MET N A 82 MET CA A 82 MET C 1.0 -71.8 -51.8 PHI 18 18 A 82 MET N A 82 MET CA A 82 MET C A 83 GLY N 1.0 -60.5 -15.3 PSI 19 19 A 82 MET C A 83 GLY N A 83 GLY CA A 83 GLY C 1.0 -78.4 -48.1 PHI 20 20 A 83 GLY N A 83 GLY CA A 83 GLY C A 84 ALA N 1.0 -58.3 -23.4 PSI 21 21 A 83 GLY C A 84 ALA N A 84 ALA CA A 84 ALA C 1.0 -79.6 -51.1 PHI 22 22 A 84 ALA N A 84 ALA CA A 84 ALA C A 85 ALA N 1.0 -55.1 -29.3 PSI 23 23 A 84 ALA C A 85 ALA N A 85 ALA CA A 85 ALA C 1.0 -70.7 -50.7 PHI 24 24 A 85 ALA N A 85 ALA CA A 85 ALA C A 86 LYS N 1.0 -58.8 -27.8 PSI 25 25 A 85 ALA C A 86 LYS N A 86 LYS CA A 86 LYS C 1.0 -72.1 -50.7 PHI 26 26 A 86 LYS N A 86 LYS CA A 86 LYS C A 87 SER N 1.0 -61.6 -16.0 PSI 27 27 A 86 LYS C A 87 SER N A 87 SER CA A 87 SER C 1.0 -79.6 -53.4 PHI 28 28 A 87 SER N A 87 SER CA A 87 SER C A 88 LYS N 1.0 -67.0 -7.7 PSI 29 29 A 87 SER C A 88 LYS N A 88 LYS CA A 88 LYS C 1.0 -73.9 -53.9 PHI 30 30 A 88 LYS N A 88 LYS CA A 88 LYS C A 89 LEU N 1.0 -60.1 -12.9 PSI 31 31 A 88 LYS C A 89 LEU N A 89 LEU CA A 89 LEU C 1.0 -76.1 -49.8 PHI 32 32 A 89 LEU N A 89 LEU CA A 89 LEU C A 90 ASN N 1.0 -51.0 -24.7 PSI 33 33 A 89 LEU C A 90 ASN N A 90 ASN CA A 90 ASN C 1.0 -74.9 -54.5 PHI 34 34 A 90 ASN N A 90 ASN CA A 90 ASN C A 91 ASP N 1.0 -56.9 -26.0 PSI 35 35 A 90 ASN C A 91 ASP N A 91 ASP CA A 91 ASP C 1.0 -74.5 -54.5 PHI 36 36 A 91 ASP N A 91 ASP CA A 91 ASP C A 92 ALA N 1.0 -52.4 -32.1 PSI 37 37 A 91 ASP C A 92 ALA N A 92 ALA CA A 92 ALA C 1.0 -76.2 -56.2 PHI 38 38 A 92 ALA N A 92 ALA CA A 92 ALA C A 93 VAL N 1.0 -53.8 -27.1 PSI 39 39 A 92 ALA C A 93 VAL N A 93 VAL CA A 93 VAL C 1.0 -72.9 -50.4 PHI 40 40 A 93 VAL N A 93 VAL CA A 93 VAL C A 94 GLU N 1.0 -64.9 -27.5 PSI 41 41 A 93 VAL C A 94 GLU N A 94 GLU CA A 94 GLU C 1.0 -71.3 -47.4 PHI 42 42 A 94 GLU N A 94 GLU CA A 94 GLU C A 95 TYR N 1.0 -58.4 -29.0 PSI 43 43 A 94 GLU C A 95 TYR N A 95 TYR CA A 95 TYR C 1.0 -74.3 -54.3 PHI 44 44 A 95 TYR N A 95 TYR CA A 95 TYR C A 96 VAL N 1.0 -66.7 -18.8 PSI 45 45 A 95 TYR C A 96 VAL N A 96 VAL CA A 96 VAL C 1.0 -73.9 -53.3 PHI 46 46 A 96 VAL N A 96 VAL CA A 96 VAL C A 97 SER N 1.0 -57.1 -32.9 PSI 47 47 A 96 VAL C A 97 SER N A 97 SER CA A 97 SER C 1.0 -79.2 -52.1 PHI 48 48 A 97 SER N A 97 SER CA A 97 SER C A 98 GLY N 1.0 -58.9 -30.1 PSI 49 49 A 97 SER C A 98 GLY N A 98 GLY CA A 98 GLY C 1.0 -72.3 -52.3 PHI 50 50 A 98 GLY N A 98 GLY CA A 98 GLY C A 99 ARG N 1.0 -64.8 -4.0 PSI 51 51 A 98 GLY C A 99 ARG N A 99 ARG CA A 99 ARG C 1.0 -86.6 -54.3 PHI 52 52 A 99 ARG N A 99 ARG CA A 99 ARG C A 100 VAL N 1.0 -62.0 8.2 PSI stop_ save_