data_nef_c30773_6xry 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6XRY 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 SER middle . . 3 A 3 ASP middle . . 4 A 4 GLN middle . . 5 A 5 SER middle . . 6 A 6 GLN middle . . 7 A 7 GLU middle . . 8 A 8 PRO middle . false 9 A 9 THR middle . . 10 A 10 MET middle . . 11 A 11 GLU middle . . 12 A 12 GLU middle . . 13 A 13 ILE middle . . 14 A 14 LEU middle . . 15 A 15 ALA middle . . 16 A 16 SER middle . . 17 A 17 ILE middle . . 18 A 18 ARG middle . . 19 A 19 ARG middle . . 20 A 20 ILE middle . . 21 A 21 ILE middle . . 22 A 22 SER middle . . 23 A 23 GLU middle . . 24 A 24 ASP middle . . 25 A 25 ASP middle . . 26 A 26 ALA middle . . 27 A 27 PRO middle . false 28 A 28 ALA middle . . 29 A 29 GLU middle . . 30 A 30 PRO middle . false 31 A 31 ALA middle . . 32 A 32 ALA middle . . 33 A 33 GLU middle . . 34 A 34 ALA middle . . 35 A 35 ALA middle . . 36 A 36 PRO middle . false 37 A 37 PRO middle . false 38 A 38 PRO middle . false 39 A 39 PRO middle . false 40 A 40 PRO middle . false 41 A 41 GLU middle . . 42 A 42 PRO middle . false 43 A 43 GLU middle . . 44 A 44 PRO middle . false 45 A 45 GLU middle . . 46 A 46 PRO middle . false 47 A 47 VAL middle . . 48 A 48 SER middle . . 49 A 49 PHE middle . . 50 A 50 ASP middle . . 51 A 51 ASP middle . . 52 A 52 GLU middle . . 53 A 53 VAL middle . . 54 A 54 LEU middle . . 55 A 55 GLU middle . . 56 A 56 LEU middle . . 57 A 57 THR middle . . 58 A 58 ASP middle . . 59 A 59 PRO middle . false 60 A 60 ILE middle . . 61 A 61 ALA middle . . 62 A 62 PRO middle . false 63 A 63 GLU middle . . 64 A 64 PRO middle . false 65 A 65 GLU middle . . 66 A 66 LEU middle . . 67 A 67 PRO middle . false 68 A 68 PRO middle . false 69 A 69 LEU middle . . 70 A 70 GLU middle . . 71 A 71 THR middle . . 72 A 72 VAL middle . . 73 A 73 GLY middle . false 74 A 74 ASP middle . . 75 A 75 ILE middle . . 76 A 76 ASP middle . . 77 A 77 VAL middle . . 78 A 78 TYR middle . . 79 A 79 SER middle . . 80 A 80 PRO middle . false 81 A 81 PRO middle . false 82 A 82 GLU middle . . 83 A 83 PRO middle . false 84 A 84 GLU middle . . 85 A 85 SER middle . . 86 A 86 GLU middle . . 87 A 87 PRO middle . false 88 A 88 ALA middle . . 89 A 89 TYR middle . . 90 A 90 THR middle . . 91 A 91 PRO middle . false 92 A 92 PRO middle . false 93 A 93 PRO middle . false 94 A 94 ALA middle . . 95 A 95 ALA middle . . 96 A 96 PRO middle . false 97 A 97 VAL middle . . 98 A 98 PHE middle . . 99 A 99 ASP middle . . 100 A 100 ARG middle . . 101 A 101 ASP middle . . 102 A 102 GLU middle . . 103 A 103 VAL middle . . 104 A 104 ALA middle . . 105 A 105 GLU middle . . 106 A 106 GLN middle . . 107 A 107 LEU middle . . 108 A 108 VAL middle . . 109 A 109 GLY middle . false 110 A 110 VAL middle . . 111 A 111 SER middle . . 112 A 112 ALA middle . . 113 A 113 ALA middle . . 114 A 114 SER middle . . 115 A 115 ALA middle . . 116 A 116 ALA middle . . 117 A 117 ALA middle . . 118 A 118 SER middle . . 119 A 119 ALA middle . . 120 A 120 PHE middle . . 121 A 121 GLY middle . false 122 A 122 SER middle . . 123 A 123 LEU middle . . 124 A 124 SER middle . . 125 A 125 SER middle . . 126 A 126 ALA middle . . 127 A 127 LEU middle . . 128 A 128 LEU middle . . 129 A 129 MET middle . . 130 A 130 PRO middle . false 131 A 131 LYS middle . . 132 A 132 ASP middle . . 133 A 133 GLY middle . false 134 A 134 LEU middle . . 135 A 135 GLU middle . . 136 A 136 HIS middle . . 137 A 137 HIS middle . . 138 A 138 HIS middle . . 139 A 139 HIS middle . . 140 A 140 HIS middle . . 141 A 141 HIS end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET HBx H 1 2.077 0.00 A 1 MET C C 13 177.477 0.00 A 1 MET CA C 13 54.661 0.02 A 2 SER H H 1 8.371 0.00 A 2 SER HA H 1 4.433 0.01 A 2 SER HBx H 1 3.863 0.00 A 2 SER C C 13 174.790 0.00 A 2 SER CA C 13 58.602 0.07 A 2 SER CB C 13 63.962 0.02 A 2 SER N N 15 121.590 0.02 A 3 ASP H H 1 8.519 0.00 A 3 ASP HA H 1 4.609 0.01 A 3 ASP HBx H 1 2.707 0.01 A 3 ASP C C 13 176.434 0.02 A 3 ASP CA C 13 54.326 0.03 A 3 ASP CB C 13 40.930 0.11 A 3 ASP N N 15 121.835 0.03 A 4 GLN H H 1 8.312 0.00 A 4 GLN HA H 1 4.366 0.01 A 4 GLN HB2 H 1 1.971 0.00 A 4 GLN HB3 H 1 2.178 0.00 A 4 GLN HGx H 1 2.361 0.00 A 4 GLN C C 13 176.206 0.02 A 4 GLN CA C 13 55.948 0.06 A 4 GLN CB C 13 29.491 0.22 A 4 GLN CG C 13 33.985 0.00 A 4 GLN N N 15 120.491 0.05 A 5 SER H H 1 8.377 0.00 A 5 SER HA H 1 4.396 0.01 A 5 SER HBx H 1 3.880 0.01 A 5 SER C C 13 174.511 0.01 A 5 SER CA C 13 58.833 0.03 A 5 SER CB C 13 63.770 0.03 A 5 SER N N 15 116.952 0.02 A 6 GLN H H 1 8.362 0.00 A 6 GLN HA H 1 4.400 0.01 A 6 GLN HB2 H 1 1.953 0.01 A 6 GLN HB3 H 1 2.141 0.00 A 6 GLN C C 13 175.656 0.01 A 6 GLN CA C 13 55.520 0.04 A 6 GLN CB C 13 29.745 0.24 A 6 GLN CG C 13 33.894 0.00 A 6 GLN N N 15 121.921 0.06 A 7 GLU H H 1 8.342 0.00 A 7 GLU HA H 1 4.588 0.00 A 7 GLU HB2 H 1 1.897 0.01 A 7 GLU HB3 H 1 2.053 0.01 A 7 GLU C C 13 174.487 0.00 A 7 GLU CA C 13 54.462 0.00 A 7 GLU CB C 13 29.551 0.00 A 7 GLU N N 15 123.383 0.04 A 8 PRO HA H 1 4.572 0.01 A 8 PRO HB2 H 1 1.908 0.00 A 8 PRO HB3 H 1 2.289 0.00 A 8 PRO HDx H 1 3.851 0.00 A 8 PRO HGx H 1 1.993 0.00 A 8 PRO C C 13 177.132 0.01 A 8 PRO CA C 13 63.008 0.09 A 8 PRO CB C 13 32.232 0.02 A 8 PRO CD C 13 50.762 0.00 A 8 PRO CG C 13 27.469 0.00 A 9 THR H H 1 8.364 0.00 A 9 THR HA H 1 4.373 0.00 A 9 THR HB H 1 4.497 0.01 A 9 THR HG2% H 1 1.313 0.00 A 9 THR C C 13 175.242 0.01 A 9 THR CA C 13 61.339 0.04 A 9 THR CB C 13 70.623 0.04 A 9 THR CG2 C 13 22.062 0.00 A 9 THR N N 15 113.502 0.03 A 10 MET H H 1 8.682 0.00 A 10 MET HA H 1 4.370 0.00 A 10 MET HBx H 1 2.097 0.00 A 10 MET HGx H 1 2.613 0.00 A 10 MET C C 13 177.450 0.01 A 10 MET CA C 13 57.147 0.04 A 10 MET CB C 13 32.025 0.05 A 10 MET N N 15 121.384 0.02 A 11 GLU H H 1 8.565 0.00 A 11 GLU HA H 1 4.056 0.01 A 11 GLU HBx H 1 1.997 0.00 A 11 GLU HGx H 1 2.328 0.00 A 11 GLU C C 13 178.275 0.02 A 11 GLU CA C 13 59.005 0.05 A 11 GLU CB C 13 29.540 0.12 A 11 GLU CG C 13 36.567 0.00 A 11 GLU N N 15 119.487 0.02 A 12 GLU H H 1 8.028 0.00 A 12 GLU HA H 1 4.126 0.01 A 12 GLU HB2 H 1 2.012 0.02 A 12 GLU HB3 H 1 2.183 0.00 A 12 GLU HGx H 1 2.257 0.00 A 12 GLU C C 13 178.485 0.01 A 12 GLU CA C 13 58.234 0.08 A 12 GLU CB C 13 29.829 0.11 A 12 GLU CG C 13 36.711 0.00 A 12 GLU N N 15 121.137 0.03 A 13 ILE H H 1 8.229 0.00 A 13 ILE HA H 1 3.885 0.00 A 13 ILE C C 13 178.357 0.02 A 13 ILE CA C 13 63.565 0.09 A 13 ILE CB C 13 38.017 0.05 A 13 ILE CG1 C 13 28.349 0.00 A 13 ILE CG2 C 13 17.304 0.00 A 13 ILE N N 15 122.453 0.02 A 14 LEU H H 1 8.336 0.00 A 14 LEU HA H 1 4.157 0.01 A 14 LEU HB2 H 1 1.549 0.01 A 14 LEU HB3 H 1 1.750 0.01 A 14 LEU HDx% H 1 0.887 0.00 A 14 LEU C C 13 178.532 0.01 A 14 LEU CA C 13 56.836 0.07 A 14 LEU CB C 13 41.807 0.04 A 14 LEU CD1 C 13 25.149 0.00 A 14 LEU CD2 C 13 23.154 0.00 A 14 LEU CG C 13 27.001 0.00 A 14 LEU N N 15 122.289 0.04 A 15 ALA H H 1 7.987 0.00 A 15 ALA HA H 1 4.196 0.01 A 15 ALA HB% H 1 1.461 0.00 A 15 ALA C C 13 178.997 0.01 A 15 ALA CA C 13 53.887 0.03 A 15 ALA CB C 13 18.636 0.05 A 15 ALA N N 15 121.828 0.04 A 16 SER H H 1 7.954 0.00 A 16 SER HA H 1 4.341 0.01 A 16 SER HBx H 1 3.969 0.00 A 16 SER C C 13 175.321 0.00 A 16 SER CA C 13 59.822 0.04 A 16 SER CB C 13 63.547 0.03 A 16 SER N N 15 113.811 0.03 A 17 ILE H H 1 7.800 0.00 A 17 ILE HA H 1 4.095 0.01 A 17 ILE HB H 1 1.931 0.00 A 17 ILE C C 13 176.697 0.01 A 17 ILE CA C 13 62.451 0.10 A 17 ILE CB C 13 38.444 0.04 A 17 ILE N N 15 121.584 0.02 A 18 ARG H H 1 8.098 0.00 A 18 ARG HA H 1 4.273 0.00 A 18 ARG HBx H 1 1.427 0.00 A 18 ARG C C 13 176.414 0.00 A 18 ARG CA C 13 56.730 0.03 A 18 ARG N N 15 122.737 0.06 A 19 ARG H H 1 8.101 0.00 A 19 ARG CA C 13 56.633 0.00 A 19 ARG N N 15 121.734 0.02 A 20 ILE CA C 13 60.468 0.08 A 20 ILE CB C 13 39.200 0.00 A 21 ILE H H 1 8.553 0.00 A 21 ILE HA H 1 4.181 0.00 A 21 ILE HB H 1 1.892 0.00 A 21 ILE C C 13 176.245 0.01 A 21 ILE CA C 13 61.282 0.01 A 21 ILE CB C 13 38.598 0.06 A 21 ILE N N 15 125.373 0.01 A 22 SER H H 1 8.353 0.00 A 22 SER HA H 1 4.485 0.00 A 22 SER HBx H 1 3.870 0.01 A 22 SER C C 13 174.712 0.02 A 22 SER CA C 13 58.216 0.10 A 22 SER CB C 13 64.026 0.03 A 22 SER N N 15 119.701 0.04 A 23 GLU H H 1 8.521 0.00 A 23 GLU HA H 1 4.295 0.00 A 23 GLU HB2 H 1 1.946 0.00 A 23 GLU HB3 H 1 2.096 0.00 A 23 GLU HGx H 1 2.297 0.00 A 23 GLU C C 13 176.284 0.00 A 23 GLU CA C 13 56.918 0.03 A 23 GLU CB C 13 30.008 0.09 A 23 GLU CG C 13 35.867 0.00 A 23 GLU N N 15 123.114 0.03 A 24 ASP H H 1 8.274 0.00 A 24 ASP HA H 1 4.582 0.01 A 24 ASP HB2 H 1 2.578 0.00 A 24 ASP HB3 H 1 2.715 0.00 A 24 ASP C C 13 175.894 0.03 A 24 ASP CA C 13 54.536 0.02 A 24 ASP CB C 13 41.087 0.05 A 24 ASP N N 15 120.476 0.02 A 25 ASP H H 1 8.152 0.00 A 25 ASP HA H 1 4.583 0.01 A 25 ASP HBx H 1 2.651 0.00 A 25 ASP C C 13 175.516 0.00 A 25 ASP CA C 13 54.114 0.05 A 25 ASP CB C 13 41.060 0.05 A 25 ASP N N 15 120.461 0.03 A 26 ALA H H 1 8.085 0.00 A 26 ALA HB% H 1 1.347 0.00 A 26 ALA C C 13 175.348 0.00 A 26 ALA CA C 13 50.577 0.01 A 26 ALA CB C 13 18.270 0.00 A 26 ALA N N 15 125.200 0.03 A 28 ALA H H 1 8.518 0.00 A 28 ALA C C 13 177.635 0.02 A 28 ALA CA C 13 52.234 0.04 A 28 ALA CB C 13 19.412 0.03 A 28 ALA N N 15 125.163 0.01 A 29 GLU H H 1 8.331 0.00 A 29 GLU C C 13 174.462 0.00 A 29 GLU CA C 13 54.108 0.02 A 29 GLU CB C 13 29.646 0.00 A 29 GLU N N 15 121.412 0.02 A 30 PRO HA H 1 4.384 0.00 A 30 PRO HB2 H 1 1.900 0.00 A 30 PRO HB3 H 1 2.279 0.00 A 30 PRO HDx H 1 3.755 0.00 A 30 PRO HGx H 1 1.994 0.00 A 30 PRO C C 13 176.685 0.00 A 30 PRO CA C 13 62.981 0.06 A 30 PRO CB C 13 32.118 0.03 A 30 PRO CD C 13 50.664 0.00 A 30 PRO CG C 13 27.445 0.00 A 31 ALA H H 1 8.408 0.00 A 31 ALA HA H 1 4.285 0.00 A 31 ALA HB% H 1 1.382 0.00 A 31 ALA C C 13 177.628 0.02 A 31 ALA CA C 13 52.284 0.02 A 31 ALA CB C 13 19.291 0.05 A 31 ALA N N 15 124.638 0.05 A 32 ALA H H 1 8.300 0.00 A 32 ALA HA H 1 4.278 0.00 A 32 ALA HB% H 1 1.386 0.00 A 32 ALA C C 13 177.853 0.02 A 32 ALA CA C 13 52.494 0.04 A 32 ALA CB C 13 19.360 0.03 A 32 ALA N N 15 123.828 0.05 A 33 GLU H H 1 8.343 0.00 A 33 GLU HA H 1 4.247 0.00 A 33 GLU HBx H 1 1.940 0.03 A 33 GLU HGx H 1 2.271 0.00 A 33 GLU C C 13 176.037 0.00 A 33 GLU CA C 13 56.297 0.04 A 33 GLU CB C 13 30.392 0.20 A 33 GLU CG C 13 36.078 0.00 A 33 GLU N N 15 120.202 0.04 A 34 ALA H H 1 8.279 0.00 A 34 ALA HA H 1 4.287 0.01 A 34 ALA HB% H 1 1.362 0.01 A 34 ALA C C 13 176.952 0.02 A 34 ALA CA C 13 52.145 0.03 A 34 ALA CB C 13 19.404 0.05 A 34 ALA N N 15 125.599 0.04 A 35 ALA H H 1 8.256 0.00 A 35 ALA HA H 1 4.583 0.00 A 35 ALA HB% H 1 1.351 0.00 A 35 ALA C C 13 175.029 0.00 A 35 ALA CA C 13 50.325 0.01 A 35 ALA CB C 13 18.156 0.00 A 35 ALA N N 15 125.127 0.06 A 46 PRO HA H 1 4.429 0.00 A 46 PRO HB2 H 1 1.864 0.01 A 46 PRO HB3 H 1 2.261 0.01 A 46 PRO HGx H 1 2.021 0.00 A 46 PRO C C 13 176.773 0.00 A 46 PRO CA C 13 62.981 0.04 A 46 PRO CB C 13 32.025 0.05 A 46 PRO CD C 13 50.779 0.00 A 46 PRO CG C 13 27.452 0.00 A 47 VAL H H 1 8.202 0.00 A 47 VAL HA H 1 4.073 0.00 A 47 VAL HB H 1 1.978 0.00 A 47 VAL HGx% H 1 0.866 0.00 A 47 VAL C C 13 175.926 0.01 A 47 VAL CA C 13 62.170 0.11 A 47 VAL CB C 13 33.081 0.28 A 47 VAL CGy C 13 20.993 0.00 A 47 VAL N N 15 120.538 0.14 A 48 SER H H 1 8.264 0.00 A 48 SER HA H 1 4.456 0.01 A 48 SER HBx H 1 3.769 0.01 A 48 SER C C 13 174.006 0.02 A 48 SER CA C 13 57.604 0.08 A 48 SER CB C 13 64.197 0.04 A 48 SER N N 15 119.350 0.02 A 49 PHE H H 1 8.398 0.00 A 49 PHE HA H 1 4.662 0.01 A 49 PHE HB2 H 1 2.963 0.01 A 49 PHE HB3 H 1 3.182 0.01 A 49 PHE C C 13 175.479 0.02 A 49 PHE CA C 13 57.642 0.04 A 49 PHE CB C 13 39.824 0.05 A 49 PHE N N 15 122.885 0.04 A 50 ASP H H 1 8.311 0.00 A 50 ASP HA H 1 4.584 0.01 A 50 ASP HB2 H 1 2.556 0.01 A 50 ASP HB3 H 1 2.703 0.01 A 50 ASP C C 13 175.723 0.01 A 50 ASP CA C 13 54.395 0.06 A 50 ASP CB C 13 41.070 0.05 A 50 ASP N N 15 121.673 0.04 A 51 ASP H H 1 8.200 0.00 A 51 ASP HA H 1 4.555 0.01 A 51 ASP HBx H 1 2.656 0.00 A 51 ASP C C 13 176.245 0.01 A 51 ASP CA C 13 54.462 0.02 A 51 ASP CB C 13 41.013 0.04 A 51 ASP N N 15 120.614 0.04 A 52 GLU H H 1 8.256 0.00 A 52 GLU HA H 1 4.256 0.00 A 52 GLU HBx H 1 1.990 0.00 A 52 GLU HGx H 1 2.257 0.00 A 52 GLU C C 13 176.393 0.00 A 52 GLU CA C 13 56.785 0.09 A 52 GLU CB C 13 30.182 0.15 A 52 GLU CG C 13 35.883 0.00 A 52 GLU N N 15 120.947 0.07 A 53 VAL H H 1 8.156 0.00 A 53 VAL HA H 1 4.048 0.00 A 53 VAL HB H 1 2.045 0.01 A 53 VAL HGx% H 1 0.925 0.01 A 53 VAL C C 13 176.093 0.01 A 53 VAL CA C 13 62.568 0.05 A 53 VAL CB C 13 32.649 0.24 A 53 VAL CGy C 13 21.075 0.00 A 53 VAL N N 15 121.975 0.06 A 54 LEU H H 1 8.258 0.00 A 54 LEU HA H 1 4.357 0.00 A 54 LEU HBx H 1 1.579 0.01 A 54 LEU HD1% H 1 0.891 0.00 A 54 LEU C C 13 177.069 0.02 A 54 LEU CA C 13 55.083 0.10 A 54 LEU CB C 13 42.529 0.04 A 54 LEU CD1 C 13 24.881 0.00 A 54 LEU CD2 C 13 23.815 0.00 A 54 LEU CG C 13 27.135 0.00 A 54 LEU N N 15 126.428 0.03 A 55 GLU H H 1 8.324 0.00 A 55 GLU HA H 1 4.306 0.02 A 55 GLU HBx H 1 1.951 0.00 A 55 GLU HGx H 1 2.254 0.00 A 55 GLU C C 13 176.017 0.01 A 55 GLU CA C 13 56.203 0.05 A 55 GLU CB C 13 30.189 0.15 A 55 GLU CG C 13 35.856 0.00 A 55 GLU N N 15 122.105 0.04 A 56 LEU H H 1 8.297 0.00 A 56 LEU HA H 1 4.429 0.00 A 56 LEU HBx H 1 1.626 0.01 A 56 LEU HDx% H 1 0.902 0.00 A 56 LEU C C 13 177.403 0.03 A 56 LEU CA C 13 55.041 0.07 A 56 LEU CB C 13 42.318 0.07 A 56 LEU CD1 C 13 25.145 0.00 A 56 LEU CD2 C 13 23.480 0.00 A 56 LEU CG C 13 27.048 0.00 A 56 LEU N N 15 123.955 0.06 A 57 THR H H 1 8.123 0.00 A 57 THR HB H 1 4.183 0.01 A 57 THR HG2% H 1 1.182 0.00 A 57 THR C C 13 174.061 0.01 A 57 THR CA C 13 61.594 0.08 A 57 THR CB C 13 70.026 0.03 A 57 THR CG2 C 13 21.707 0.00 A 57 THR N N 15 115.082 0.03 A 58 ASP H H 1 8.302 0.00 A 58 ASP C C 13 174.181 0.00 A 58 ASP CA C 13 52.660 0.00 A 58 ASP CB C 13 40.775 0.00 A 58 ASP N N 15 124.151 0.06 A 59 PRO HA H 1 4.423 0.00 A 59 PRO HB2 H 1 1.914 0.02 A 59 PRO HB3 H 1 2.260 0.00 A 59 PRO HGx H 1 2.006 0.00 A 59 PRO C C 13 176.815 0.00 A 59 PRO CA C 13 63.107 0.04 A 59 PRO CB C 13 32.151 0.05 A 59 PRO CD C 13 50.725 0.00 A 59 PRO CG C 13 27.299 0.00 A 60 ILE H H 1 8.210 0.00 A 60 ILE HA H 1 4.104 0.00 A 60 ILE HB H 1 1.840 0.01 A 60 ILE HD1% H 1 0.900 0.01 A 60 ILE HG1x H 1 1.470 0.00 A 60 ILE HG2% H 1 1.195 0.00 A 60 ILE C C 13 175.805 0.00 A 60 ILE CA C 13 60.891 0.07 A 60 ILE CB C 13 38.538 0.07 A 60 ILE CD1 C 13 12.981 0.00 A 60 ILE CG1 C 13 27.366 0.00 A 60 ILE CG2 C 13 17.576 0.00 A 60 ILE N N 15 121.075 0.06 A 61 ALA H H 1 8.320 0.00 A 61 ALA HA H 1 4.603 0.00 A 61 ALA HB% H 1 1.350 0.00 A 61 ALA C C 13 175.277 0.00 A 61 ALA CA C 13 50.331 0.02 A 61 ALA CB C 13 18.390 0.00 A 61 ALA N N 15 129.866 0.05 A 64 PRO HA H 1 4.389 0.00 A 64 PRO HB3 H 1 2.272 0.01 A 64 PRO HDx H 1 3.735 0.00 A 64 PRO C C 13 176.668 0.00 A 64 PRO CA C 13 62.994 0.11 A 64 PRO CB C 13 32.183 0.05 A 64 PRO CD C 13 50.651 0.00 A 64 PRO CG C 13 27.344 0.00 A 65 GLU H H 1 8.440 0.00 A 65 GLU HA H 1 4.258 0.01 A 65 GLU HBx H 1 1.942 0.02 A 65 GLU HGx H 1 2.284 0.01 A 65 GLU C C 13 176.175 0.01 A 65 GLU CA C 13 56.227 0.06 A 65 GLU CB C 13 30.393 0.16 A 65 GLU CG C 13 36.107 0.00 A 65 GLU N N 15 121.423 0.07 A 66 LEU H H 1 8.328 0.00 A 66 LEU HA H 1 4.629 0.01 A 66 LEU HBx H 1 1.565 0.01 A 66 LEU C C 13 174.717 0.00 A 66 LEU CA C 13 52.837 0.02 A 66 LEU CB C 13 41.719 0.00 A 66 LEU N N 15 125.348 0.04 A 68 PRO HA H 1 4.418 0.00 A 68 PRO HB2 H 1 1.926 0.02 A 68 PRO HB3 H 1 2.279 0.01 A 68 PRO C C 13 176.990 0.00 A 68 PRO CA C 13 62.751 0.05 A 68 PRO CB C 13 32.007 0.04 A 68 PRO CD C 13 50.472 0.00 A 68 PRO CG C 13 27.409 0.00 A 69 LEU H H 1 8.306 0.00 A 69 LEU HA H 1 4.295 0.00 A 69 LEU HBx H 1 1.595 0.01 A 69 LEU HDx% H 1 0.907 0.00 A 69 LEU C C 13 177.577 0.00 A 69 LEU CA C 13 55.400 0.11 A 69 LEU CB C 13 42.506 0.03 A 69 LEU CDx C 13 24.381 0.00 A 69 LEU CG C 13 27.074 0.00 A 69 LEU N N 15 122.508 0.03 A 70 GLU H H 1 8.447 0.02 A 70 GLU HA H 1 4.369 0.01 A 70 GLU HB2 H 1 1.938 0.00 A 70 GLU HB3 H 1 2.049 0.01 A 70 GLU HGx H 1 2.263 0.00 A 70 GLU C C 13 176.427 0.02 A 70 GLU CA C 13 56.453 0.08 A 70 GLU CB C 13 30.449 0.15 A 70 GLU CG C 13 36.046 0.00 A 70 GLU N N 15 121.700 0.26 A 71 THR H H 1 8.228 0.00 A 71 THR HA H 1 4.372 0.01 A 71 THR HB H 1 4.186 0.01 A 71 THR HG2% H 1 1.175 0.00 A 71 THR C C 13 174.466 0.02 A 71 THR CA C 13 61.665 0.06 A 71 THR CB C 13 69.903 0.02 A 71 THR CG2 C 13 21.741 0.00 A 71 THR N N 15 115.833 0.02 A 72 VAL H H 1 8.207 0.00 A 72 VAL HA H 1 4.137 0.01 A 72 VAL HB H 1 2.092 0.00 A 72 VAL HGx% H 1 0.950 0.00 A 72 VAL C C 13 176.480 0.01 A 72 VAL CA C 13 62.541 0.03 A 72 VAL CB C 13 32.896 0.22 A 72 VAL CGy C 13 20.944 0.00 A 72 VAL N N 15 122.708 0.03 A 73 GLY H H 1 8.426 0.00 A 73 GLY HAx H 1 3.954 0.01 A 73 GLY C C 13 173.626 0.00 A 73 GLY CA C 13 45.140 0.06 A 73 GLY N N 15 112.336 0.03 A 74 ASP H H 1 8.243 0.00 A 74 ASP HA H 1 4.624 0.00 A 74 ASP HB2 H 1 2.588 0.01 A 74 ASP HB3 H 1 2.693 0.01 A 74 ASP C C 13 176.252 0.00 A 74 ASP CA C 13 54.309 0.04 A 74 ASP CB C 13 41.105 0.04 A 74 ASP N N 15 120.649 0.02 A 75 ILE H H 1 8.065 0.00 A 75 ILE HA H 1 4.172 0.00 A 75 ILE HB H 1 1.868 0.00 A 75 ILE HD1% H 1 0.889 0.00 A 75 ILE HG1x H 1 1.435 0.00 A 75 ILE HG2% H 1 1.170 0.00 A 75 ILE C C 13 175.856 0.02 A 75 ILE CA C 13 61.219 0.03 A 75 ILE CB C 13 39.178 0.09 A 75 ILE CD1 C 13 13.341 0.00 A 75 ILE CG1 C 13 27.313 0.00 A 75 ILE CG2 C 13 17.677 0.00 A 75 ILE N N 15 120.147 0.02 A 76 ASP H H 1 8.406 0.00 A 76 ASP HA H 1 4.625 0.00 A 76 ASP HBx H 1 2.647 0.00 A 76 ASP C C 13 175.983 0.03 A 76 ASP CA C 13 54.319 0.03 A 76 ASP CB C 13 41.039 0.04 A 76 ASP N N 15 124.102 0.05 A 77 VAL H H 1 7.953 0.00 A 77 VAL HA H 1 4.069 0.01 A 77 VAL HB H 1 2.014 0.01 A 77 VAL HGx% H 1 0.833 0.00 A 77 VAL C C 13 175.717 0.01 A 77 VAL CA C 13 62.245 0.12 A 77 VAL CB C 13 32.690 0.05 A 77 VAL CGy C 13 20.721 0.00 A 77 VAL N N 15 120.029 0.02 A 78 TYR H H 1 8.319 0.00 A 78 TYR HA H 1 4.565 0.00 A 78 TYR HBx H 1 2.975 0.01 A 78 TYR C C 13 175.336 0.02 A 78 TYR CA C 13 58.079 0.05 A 78 TYR CB C 13 38.969 0.02 A 78 TYR N N 15 124.614 0.06 A 79 SER H H 1 7.967 0.00 A 79 SER HA H 1 4.643 0.00 A 79 SER HB2 H 1 3.673 0.00 A 79 SER HB3 H 1 3.737 0.01 A 79 SER C C 13 171.223 0.00 A 79 SER CA C 13 55.580 0.05 A 79 SER CB C 13 63.619 0.00 A 79 SER N N 15 121.099 0.02 A 83 PRO HA H 1 4.393 0.00 A 83 PRO HB2 H 1 1.919 0.02 A 83 PRO HB3 H 1 2.294 0.00 A 83 PRO HDx H 1 3.737 0.00 A 83 PRO C C 13 177.041 0.01 A 83 PRO CA C 13 63.221 0.11 A 83 PRO CB C 13 32.138 0.06 A 83 PRO CD C 13 50.706 0.00 A 83 PRO CG C 13 27.452 0.00 A 84 GLU H H 1 8.570 0.00 A 84 GLU HA H 1 4.254 0.01 A 84 GLU HBx H 1 1.978 0.02 A 84 GLU HGx H 1 2.306 0.00 A 84 GLU C C 13 176.541 0.01 A 84 GLU CA C 13 56.649 0.04 A 84 GLU CB C 13 30.100 0.13 A 84 GLU CG C 13 36.140 0.00 A 84 GLU N N 15 120.853 0.02 A 85 SER H H 1 8.303 0.00 A 85 SER HA H 1 4.434 0.01 A 85 SER HBx H 1 3.842 0.00 A 85 SER C C 13 174.102 0.01 A 85 SER CA C 13 58.343 0.06 A 85 SER CB C 13 64.132 0.03 A 85 SER N N 15 116.868 0.03 A 86 GLU H H 1 8.356 0.00 A 86 GLU HA H 1 4.608 0.00 A 86 GLU HB2 H 1 1.907 0.00 A 86 GLU HB3 H 1 2.055 0.01 A 86 GLU C C 13 174.402 0.00 A 86 GLU CA C 13 54.346 0.00 A 86 GLU CB C 13 29.685 0.00 A 86 GLU N N 15 123.701 0.04 A 87 PRO HA H 1 4.372 0.00 A 87 PRO HB2 H 1 1.838 0.00 A 87 PRO HB3 H 1 2.251 0.01 A 87 PRO HDx H 1 3.773 0.00 A 87 PRO HGx H 1 2.005 0.00 A 87 PRO C C 13 176.583 0.01 A 87 PRO CA C 13 63.086 0.09 A 87 PRO CB C 13 32.115 0.03 A 87 PRO CD C 13 50.757 0.00 A 87 PRO CG C 13 27.401 0.00 A 88 ALA H H 1 8.389 0.00 A 88 ALA HA H 1 4.278 0.00 A 88 ALA HB% H 1 1.348 0.00 A 88 ALA C C 13 177.301 0.01 A 88 ALA CA C 13 52.341 0.07 A 88 ALA CB C 13 19.226 0.03 A 88 ALA N N 15 124.161 0.06 A 89 TYR H H 1 8.188 0.00 A 89 TYR HA H 1 4.561 0.00 A 89 TYR HB2 H 1 2.865 0.01 A 89 TYR HB3 H 1 3.048 0.01 A 89 TYR C C 13 175.270 0.01 A 89 TYR CA C 13 57.987 0.07 A 89 TYR CB C 13 39.236 0.04 A 89 TYR N N 15 120.581 0.02 A 90 THR H H 1 7.892 0.00 A 90 THR HA H 1 4.488 0.00 A 90 THR HB H 1 3.933 0.01 A 90 THR C C 13 171.257 0.00 A 90 THR CA C 13 58.943 0.02 A 90 THR CB C 13 70.300 0.00 A 90 THR N N 15 121.948 0.03 A 93 PRO HA H 1 4.357 0.01 A 93 PRO HB3 H 1 2.276 0.01 A 93 PRO HDx H 1 3.625 0.00 A 93 PRO C C 13 176.597 0.02 A 93 PRO CA C 13 62.807 0.03 A 93 PRO CB C 13 32.081 0.05 A 93 PRO CD C 13 50.456 0.00 A 93 PRO CG C 13 27.362 0.00 A 94 ALA H H 1 8.312 0.00 A 94 ALA HA H 1 4.271 0.01 A 94 ALA HB% H 1 1.353 0.00 A 94 ALA C C 13 177.052 0.02 A 94 ALA CA C 13 52.057 0.04 A 94 ALA CB C 13 19.366 0.08 A 94 ALA N N 15 124.367 0.06 A 95 ALA H H 1 8.218 0.00 A 95 ALA HA H 1 4.564 0.01 A 95 ALA HB% H 1 1.349 0.00 A 95 ALA C C 13 175.446 0.00 A 95 ALA CA C 13 50.299 0.01 A 95 ALA CB C 13 18.201 0.00 A 95 ALA N N 15 124.825 0.04 A 96 PRO HA H 1 4.363 0.00 A 96 PRO HB2 H 1 1.680 0.01 A 96 PRO HB3 H 1 2.168 0.01 A 96 PRO HGx H 1 1.986 0.00 A 96 PRO C C 13 176.430 0.02 A 96 PRO CA C 13 62.824 0.08 A 96 PRO CB C 13 32.073 0.03 A 96 PRO CD C 13 50.535 0.00 A 96 PRO CG C 13 27.439 0.00 A 97 VAL H H 1 8.097 0.00 A 97 VAL HA H 1 4.037 0.01 A 97 VAL HB H 1 1.948 0.00 A 97 VAL HGx% H 1 0.865 0.01 A 97 VAL C C 13 175.845 0.02 A 97 VAL CA C 13 62.055 0.07 A 97 VAL CB C 13 33.136 0.19 A 97 VAL CGy C 13 21.128 0.00 A 97 VAL N N 15 120.033 0.02 A 98 PHE H H 1 8.286 0.00 A 98 PHE HA H 1 4.677 0.01 A 98 PHE HB2 H 1 2.952 0.01 A 98 PHE HB3 H 1 3.140 0.01 A 98 PHE C C 13 175.250 0.01 A 98 PHE CA C 13 57.258 0.02 A 98 PHE CB C 13 40.062 0.09 A 98 PHE N N 15 123.876 0.04 A 99 ASP H H 1 8.387 0.00 A 99 ASP HA H 1 4.582 0.01 A 99 ASP HBx H 1 2.655 0.01 A 99 ASP C C 13 175.881 0.02 A 99 ASP CA C 13 54.137 0.08 A 99 ASP CB C 13 41.165 0.07 A 99 ASP N N 15 122.454 0.06 A 100 ARG H H 1 8.205 0.00 A 100 ARG HA H 1 4.257 0.01 A 100 ARG HBx H 1 1.815 0.01 A 100 ARG HDx H 1 3.180 0.00 A 100 ARG HE H 1 7.298 0.00 A 100 ARG HGx H 1 1.614 0.01 A 100 ARG C C 13 176.044 0.01 A 100 ARG CA C 13 56.433 0.11 A 100 ARG CB C 13 30.912 0.07 A 100 ARG CD C 13 43.484 0.00 A 100 ARG CG C 13 27.020 0.00 A 100 ARG N N 15 121.288 0.07 A 100 ARG NE N 15 84.824 0.01 A 101 ASP H H 1 8.419 0.00 A 101 ASP HA H 1 4.601 0.00 A 101 ASP HB2 H 1 2.615 0.01 A 101 ASP HB3 H 1 2.728 0.01 A 101 ASP C C 13 176.290 0.01 A 101 ASP CA C 13 54.589 0.02 A 101 ASP CB C 13 40.966 0.04 A 101 ASP N N 15 121.179 0.03 A 102 GLU H H 1 8.281 0.00 A 102 GLU HA H 1 4.249 0.01 A 102 GLU HBx H 1 1.992 0.00 A 102 GLU HGx H 1 2.256 0.01 A 102 GLU C C 13 176.784 0.00 A 102 GLU CA C 13 57.017 0.03 A 102 GLU CB C 13 30.145 0.10 A 102 GLU CG C 13 36.064 0.00 A 102 GLU N N 15 121.301 0.03 A 103 VAL H H 1 8.080 0.00 A 103 VAL HA H 1 4.017 0.01 A 103 VAL HB H 1 2.085 0.01 A 103 VAL HGx% H 1 0.930 0.01 A 103 VAL C C 13 176.395 0.01 A 103 VAL CA C 13 62.933 0.05 A 103 VAL CB C 13 32.620 0.21 A 103 VAL CGy C 13 21.147 0.00 A 103 VAL N N 15 120.827 0.05 A 104 ALA H H 1 8.210 0.00 A 104 ALA HA H 1 4.246 0.00 A 104 ALA HB% H 1 1.394 0.01 A 104 ALA C C 13 178.301 0.01 A 104 ALA CA C 13 53.066 0.04 A 104 ALA CB C 13 19.130 0.05 A 104 ALA N N 15 126.685 0.03 A 105 GLU H H 1 8.274 0.00 A 105 GLU HA H 1 4.194 0.01 A 105 GLU HBx H 1 1.992 0.00 A 105 GLU HGx H 1 1.998 0.00 A 105 GLU C C 13 176.804 0.01 A 105 GLU CA C 13 57.103 0.04 A 105 GLU CB C 13 30.085 0.09 A 105 GLU CG C 13 36.128 0.00 A 105 GLU N N 15 119.476 0.02 A 106 GLN H H 1 8.259 0.00 A 106 GLN HA H 1 4.277 0.00 A 106 GLN HBx H 1 2.039 0.01 A 106 GLN HGx H 1 2.375 0.01 A 106 GLN C C 13 176.062 0.01 A 106 GLN CA C 13 56.126 0.09 A 106 GLN CB C 13 29.353 0.16 A 106 GLN CG C 13 33.962 0.00 A 106 GLN N N 15 120.455 0.04 A 107 LEU H H 1 8.191 0.00 A 107 LEU HA H 1 4.363 0.01 A 107 LEU HB2 H 1 1.559 0.01 A 107 LEU HB3 H 1 1.660 0.01 A 107 LEU HDx% H 1 0.874 0.00 A 107 LEU C C 13 177.435 0.01 A 107 LEU CA C 13 55.330 0.09 A 107 LEU CB C 13 42.269 0.03 A 107 LEU CD1 C 13 25.127 0.00 A 107 LEU CD2 C 13 23.358 0.00 A 107 LEU CG C 13 26.995 0.00 A 107 LEU N N 15 122.844 0.03 A 108 VAL H H 1 8.011 0.00 A 108 VAL HA H 1 4.093 0.00 A 108 VAL HB H 1 2.087 0.01 A 108 VAL HGx% H 1 0.940 0.01 A 108 VAL C C 13 176.783 0.00 A 108 VAL CA C 13 62.715 0.02 A 108 VAL CB C 13 32.755 0.00 A 108 VAL N N 15 120.455 0.02 A 109 GLY H H 1 8.435 0.00 A 109 GLY HAx H 1 3.964 0.01 A 109 GLY C C 13 174.291 0.00 A 109 GLY CA C 13 45.384 0.12 A 109 GLY N N 15 112.272 0.04 A 110 VAL H H 1 7.959 0.00 A 110 VAL HA H 1 4.143 0.00 A 110 VAL HB H 1 2.094 0.00 A 110 VAL HGx% H 1 0.933 0.00 A 110 VAL C C 13 176.500 0.01 A 110 VAL CA C 13 62.505 0.04 A 110 VAL CB C 13 32.914 0.20 A 110 VAL CGy C 13 20.916 0.00 A 110 VAL N N 15 119.228 0.03 A 111 SER H H 1 8.429 0.00 A 111 SER HA H 1 4.449 0.00 A 111 SER HBx H 1 3.903 0.01 A 111 SER C C 13 174.628 0.01 A 111 SER CA C 13 58.427 0.05 A 111 SER CB C 13 63.958 0.02 A 111 SER N N 15 119.344 0.02 A 112 ALA H H 1 8.401 0.00 A 112 ALA HA H 1 4.279 0.01 A 112 ALA HB% H 1 1.401 0.00 A 112 ALA C C 13 178.126 0.01 A 112 ALA CA C 13 53.108 0.02 A 112 ALA CB C 13 19.026 0.05 A 112 ALA N N 15 126.202 0.03 A 113 ALA H H 1 8.256 0.00 A 113 ALA HA H 1 4.275 0.00 A 113 ALA HB% H 1 1.400 0.00 A 113 ALA C C 13 178.447 0.00 A 113 ALA CA C 13 53.124 0.02 A 113 ALA CB C 13 19.002 0.04 A 113 ALA N N 15 122.485 0.02 A 114 SER H H 1 8.136 0.00 A 114 SER HA H 1 4.376 0.01 A 114 SER HBx H 1 3.907 0.01 A 114 SER C C 13 174.951 0.00 A 114 SER CA C 13 58.823 0.04 A 114 SER CB C 13 63.724 0.03 A 114 SER N N 15 114.689 0.03 A 115 ALA H H 1 8.246 0.00 A 115 ALA HA H 1 4.275 0.01 A 115 ALA HB% H 1 1.407 0.00 A 115 ALA C C 13 178.081 0.02 A 115 ALA CA C 13 53.082 0.03 A 115 ALA CB C 13 19.019 0.04 A 115 ALA N N 15 125.870 0.04 A 116 ALA H H 1 8.118 0.00 A 116 ALA HA H 1 4.251 0.00 A 116 ALA HB% H 1 1.405 0.00 A 116 ALA C C 13 178.056 0.00 A 116 ALA CA C 13 52.995 0.03 A 116 ALA CB C 13 19.016 0.04 A 116 ALA N N 15 122.370 0.02 A 117 ALA H H 1 8.099 0.00 A 117 ALA HA H 1 4.271 0.00 A 117 ALA HB% H 1 1.415 0.01 A 117 ALA C C 13 178.250 0.01 A 117 ALA CA C 13 53.010 0.02 A 117 ALA CB C 13 19.064 0.05 A 117 ALA N N 15 122.315 0.03 A 118 SER H H 1 8.090 0.00 A 118 SER HA H 1 4.377 0.00 A 118 SER HBx H 1 3.860 0.01 A 118 SER C C 13 174.621 0.01 A 118 SER CA C 13 58.586 0.03 A 118 SER CB C 13 63.858 0.04 A 118 SER N N 15 114.180 0.03 A 119 ALA H H 1 8.149 0.00 A 119 ALA HA H 1 4.257 0.00 A 119 ALA HB% H 1 1.267 0.00 A 119 ALA C C 13 177.725 0.02 A 119 ALA CA C 13 52.869 0.03 A 119 ALA CB C 13 19.067 0.05 A 119 ALA N N 15 125.441 0.03 A 120 PHE H H 1 8.112 0.00 A 120 PHE HA H 1 4.575 0.01 A 120 PHE HB2 H 1 3.031 0.00 A 120 PHE HB3 H 1 3.189 0.00 A 120 PHE C C 13 176.605 0.01 A 120 PHE CA C 13 58.144 0.06 A 120 PHE CB C 13 39.413 0.06 A 120 PHE N N 15 118.622 0.02 A 121 GLY H H 1 8.226 0.00 A 121 GLY HAx H 1 3.913 0.01 A 121 GLY C C 13 174.319 0.01 A 121 GLY CA C 13 45.561 0.08 A 121 GLY N N 15 110.140 0.04 A 122 SER H H 1 8.155 0.00 A 122 SER HA H 1 4.446 0.00 A 122 SER HBx H 1 3.891 0.00 A 122 SER C C 13 174.867 0.01 A 122 SER CA C 13 58.576 0.02 A 122 SER CB C 13 63.916 0.02 A 122 SER N N 15 115.620 0.03 A 123 LEU H H 1 8.306 0.00 A 123 LEU HA H 1 4.403 0.00 A 123 LEU HBx H 1 1.647 0.01 A 123 LEU HDx% H 1 0.887 0.00 A 123 LEU C C 13 177.765 0.03 A 123 LEU CA C 13 55.574 0.05 A 123 LEU CB C 13 42.253 0.02 A 123 LEU CD1 C 13 25.069 0.00 A 123 LEU CD2 C 13 23.506 0.00 A 123 LEU CG C 13 27.034 0.00 A 123 LEU N N 15 123.814 0.04 A 124 SER H H 1 8.239 0.00 A 124 SER HA H 1 4.400 0.01 A 124 SER HBx H 1 3.879 0.01 A 124 SER C C 13 175.063 0.00 A 124 SER CA C 13 58.774 0.06 A 124 SER CB C 13 63.687 0.04 A 124 SER N N 15 115.895 0.05 A 125 SER H H 1 8.236 0.00 A 125 SER HA H 1 4.385 0.00 A 125 SER HBx H 1 3.892 0.01 A 125 SER C C 13 174.694 0.00 A 125 SER CA C 13 58.896 0.04 A 125 SER CB C 13 63.645 0.03 A 125 SER N N 15 117.709 0.03 A 126 ALA H H 1 8.177 0.00 A 126 ALA HA H 1 4.274 0.00 A 126 ALA HB% H 1 1.381 0.01 A 126 ALA C C 13 177.816 0.01 A 126 ALA CA C 13 53.050 0.03 A 126 ALA CB C 13 19.095 0.05 A 126 ALA N N 15 125.420 0.03 A 127 LEU H H 1 7.938 0.00 A 127 LEU HA H 1 4.278 0.00 A 127 LEU HBx H 1 1.605 0.01 A 127 LEU HDx% H 1 0.894 0.00 A 127 LEU C C 13 177.128 0.01 A 127 LEU CA C 13 55.299 0.06 A 127 LEU CB C 13 42.284 0.03 A 127 LEU CD1 C 13 25.022 0.00 A 127 LEU CD2 C 13 23.568 0.00 A 127 LEU CG C 13 27.098 0.00 A 127 LEU N N 15 119.726 0.02 A 128 LEU H H 1 7.952 0.00 A 128 LEU HA H 1 4.296 0.02 A 128 LEU HBx H 1 1.595 0.01 A 128 LEU HDx% H 1 0.875 0.00 A 128 LEU C C 13 176.855 0.01 A 128 LEU CA C 13 54.874 0.02 A 128 LEU CB C 13 42.315 0.05 A 128 LEU CD1 C 13 25.054 0.00 A 128 LEU CD2 C 13 23.521 0.00 A 128 LEU CG C 13 27.045 0.00 A 128 LEU N N 15 122.011 0.03 A 129 MET H H 1 8.157 0.00 A 129 MET C C 13 174.081 0.00 A 129 MET CA C 13 53.209 0.04 A 129 MET CB C 13 31.633 0.00 A 129 MET N N 15 122.126 0.05 A 130 PRO HA H 1 4.410 0.01 A 130 PRO HB2 H 1 1.920 0.02 A 130 PRO HB3 H 1 2.291 0.01 A 130 PRO C C 13 177.220 0.01 A 130 PRO CA C 13 63.157 0.07 A 130 PRO CB C 13 32.229 0.02 A 130 PRO CD C 13 50.717 0.00 A 130 PRO CG C 13 27.537 0.00 A 131 LYS H H 1 8.512 0.00 A 131 LYS HA H 1 4.272 0.01 A 131 LYS HBx H 1 1.800 0.02 A 131 LYS HGx H 1 1.424 0.00 A 131 LYS C C 13 176.660 0.00 A 131 LYS CA C 13 56.662 0.11 A 131 LYS CB C 13 32.790 0.13 A 131 LYS CD C 13 29.224 0.00 A 131 LYS CG C 13 24.737 0.00 A 131 LYS N N 15 121.839 0.02 A 132 ASP H H 1 8.308 0.00 A 132 ASP HA H 1 4.595 0.00 A 132 ASP HBx H 1 2.712 0.00 A 132 ASP C C 13 176.762 0.01 A 132 ASP CA C 13 54.347 0.02 A 132 ASP CB C 13 41.203 0.07 A 132 ASP N N 15 120.346 0.05 A 133 GLY H H 1 8.324 0.00 A 133 GLY HAx H 1 3.938 0.01 A 133 GLY C C 13 174.342 0.01 A 133 GLY CA C 13 45.680 0.07 A 133 GLY N N 15 108.849 0.04 A 134 LEU H H 1 8.078 0.00 A 134 LEU HA H 1 4.279 0.01 A 134 LEU HBx H 1 1.564 0.01 A 134 LEU HDx% H 1 0.856 0.00 A 134 LEU C C 13 177.385 0.00 A 134 LEU CA C 13 55.191 0.09 A 134 LEU CB C 13 42.312 0.06 A 134 LEU CD1 C 13 25.067 0.00 A 134 LEU CD2 C 13 23.181 0.00 A 134 LEU CG C 13 27.026 0.00 A 134 LEU N N 15 121.106 0.06 A 135 GLU H H 1 8.345 0.00 A 135 GLU C C 13 176.113 0.00 A 135 GLU CA C 13 56.611 0.01 A 135 GLU CB C 13 29.988 0.00 A 135 GLU N N 15 120.468 0.07 stop_ save_ save_DYANA/DIANA_dipolar_coupling_2 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode DYANA/DIANA_dipolar_coupling_2 _nef_rdc_restraint_list.potential_type parabolic _nef_rdc_restraint_list.restraint_origin . loop_ _nef_rdc_restraint.index _nef_rdc_restraint.restraint_id _nef_rdc_restraint.chain_code_1 _nef_rdc_restraint.sequence_code_1 _nef_rdc_restraint.residue_name_1 _nef_rdc_restraint.atom_name_1 _nef_rdc_restraint.chain_code_2 _nef_rdc_restraint.sequence_code_2 _nef_rdc_restraint.residue_name_2 _nef_rdc_restraint.atom_name_2 _nef_rdc_restraint.weight _nef_rdc_restraint.lower_limit _nef_rdc_restraint.upper_limit _nef_rdc_restraint.scale 1 1 A 2 SER H A 2 SER N 1.0 . . . 2 2 A 4 GLN H A 4 GLN N 1.0 . . . 3 3 A 5 SER H A 5 SER N 1.0 . . . 4 4 A 6 GLN H A 6 GLN N 1.0 . . . 5 5 A 7 GLU H A 7 GLU N 1.0 . . . 6 6 A 9 THR H A 9 THR N 1.0 . . . 7 7 A 10 MET H A 10 MET N 1.0 . . . 8 8 A 11 GLU H A 11 GLU N 1.0 . . . 9 9 A 12 GLU H A 12 GLU N 1.0 . . . 10 10 A 13 ILE H A 13 ILE N 1.0 . . . 11 11 A 15 ALA H A 15 ALA N 1.0 . . . 12 12 A 16 SER H A 16 SER N 1.0 . . . 13 13 A 17 ILE H A 17 ILE N 1.0 . . . 14 14 A 18 ARG H A 18 ARG N 1.0 . . . 15 15 A 19 ARG H A 19 ARG N 1.0 . . . 16 16 A 22 SER H A 22 SER N 1.0 . . . 17 17 A 23 GLU H A 23 GLU N 1.0 . . . 18 18 A 24 ASP H A 24 ASP N 1.0 . . . 19 19 A 25 ASP H A 25 ASP N 1.0 . . . 20 20 A 26 ALA H A 26 ALA N 1.0 . . . 21 21 A 29 GLU H A 29 GLU N 1.0 . . . 22 22 A 31 ALA H A 31 ALA N 1.0 . . . 23 23 A 33 GLU H A 33 GLU N 1.0 . . . 24 24 A 34 ALA H A 34 ALA N 1.0 . . . 25 25 A 35 ALA H A 35 ALA N 1.0 . . . 26 26 A 49 PHE H A 49 PHE N 1.0 . . . 27 27 A 50 ASP H A 50 ASP N 1.0 . . . 28 28 A 51 ASP H A 51 ASP N 1.0 . . . 29 29 A 52 GLU H A 52 GLU N 1.0 . . . 30 30 A 54 LEU H A 54 LEU N 1.0 . . . 31 31 A 55 GLU H A 55 GLU N 1.0 . . . 32 32 A 57 THR H A 57 THR N 1.0 . . . 33 33 A 61 ALA H A 61 ALA N 1.0 . . . 34 34 A 65 GLU H A 65 GLU N 1.0 . . . 35 35 A 66 LEU H A 66 LEU N 1.0 . . . 36 36 A 69 LEU H A 69 LEU N 1.0 . . . 37 37 A 70 GLU H A 70 GLU N 1.0 . . . 38 38 A 71 THR H A 71 THR N 1.0 . . . 39 39 A 72 VAL H A 72 VAL N 1.0 . . . 40 40 A 74 ASP H A 74 ASP N 1.0 . . . 41 41 A 75 ILE H A 75 ILE N 1.0 . . . 42 42 A 76 ASP H A 76 ASP N 1.0 . . . 43 43 A 77 VAL H A 77 VAL N 1.0 . . . 44 44 A 78 TYR H A 78 TYR N 1.0 . . . 45 45 A 79 SER H A 79 SER N 1.0 . . . 46 46 A 82 GLU H A 82 GLU N 1.0 . . . 47 47 A 84 GLU H A 84 GLU N 1.0 . . . 48 48 A 85 SER H A 85 SER N 1.0 . . . 49 49 A 86 GLU H A 86 GLU N 1.0 . . . 50 50 A 88 ALA H A 88 ALA N 1.0 . . . 51 51 A 90 THR H A 90 THR N 1.0 . . . 52 52 A 95 ALA H A 95 ALA N 1.0 . . . 53 53 A 97 VAL H A 97 VAL N 1.0 . . . 54 54 A 99 ASP H A 99 ASP N 1.0 . . . 55 55 A 101 ASP H A 101 ASP N 1.0 . . . 56 56 A 102 GLU H A 102 GLU N 1.0 . . . 57 57 A 103 VAL H A 103 VAL N 1.0 . . . 58 58 A 104 ALA H A 104 ALA N 1.0 . . . 59 59 A 105 GLU H A 105 GLU N 1.0 . . . 60 60 A 106 GLN H A 106 GLN N 1.0 . . . 61 61 A 107 LEU H A 107 LEU N 1.0 . . . 62 62 A 108 VAL H A 108 VAL N 1.0 . . . 63 63 A 110 VAL H A 110 VAL N 1.0 . . . 64 64 A 111 SER H A 111 SER N 1.0 . . . 65 65 A 112 ALA H A 112 ALA N 1.0 . . . 66 66 A 113 ALA H A 113 ALA N 1.0 . . . 67 67 A 114 SER H A 114 SER N 1.0 . . . 68 68 A 115 ALA H A 115 ALA N 1.0 . . . 69 69 A 116 ALA H A 116 ALA N 1.0 . . . 70 70 A 117 ALA H A 117 ALA N 1.0 . . . 71 71 A 118 SER H A 118 SER N 1.0 . . . 72 72 A 119 ALA H A 119 ALA N 1.0 . . . 73 73 A 120 PHE H A 120 PHE N 1.0 . . . 74 74 A 121 GLY H A 121 GLY N 1.0 . . . 75 75 A 122 SER H A 122 SER N 1.0 . . . 76 76 A 124 SER H A 124 SER N 1.0 . . . 77 77 A 125 SER H A 125 SER N 1.0 . . . 78 78 A 126 ALA H A 126 ALA N 1.0 . . . 79 79 A 127 LEU H A 127 LEU N 1.0 . . . 80 80 A 128 LEU H A 128 LEU N 1.0 . . . 81 81 A 132 ASP H A 132 ASP N 1.0 . . . 82 82 A 133 GLY H A 133 GLY N 1.0 . . . 83 83 A 134 LEU H A 134 LEU N 1.0 . . . 84 84 A 135 GLU H A 135 GLU N 1.0 . . . 85 85 A 2 SER H A 2 SER N 1.0 . . . 86 86 A 4 GLN H A 4 GLN N 1.0 . . . 87 87 A 5 SER H A 5 SER N 1.0 . . . 88 88 A 6 GLN H A 6 GLN N 1.0 . . . 89 89 A 7 GLU H A 7 GLU N 1.0 . . . 90 90 A 9 THR H A 9 THR N 1.0 . . . 91 91 A 10 MET H A 10 MET N 1.0 . . . 92 92 A 11 GLU H A 11 GLU N 1.0 . . . 93 93 A 12 GLU H A 12 GLU N 1.0 . . . 94 94 A 15 ALA H A 15 ALA N 1.0 . . . 95 95 A 16 SER H A 16 SER N 1.0 . . . 96 96 A 17 ILE H A 17 ILE N 1.0 . . . 97 97 A 18 ARG H A 18 ARG N 1.0 . . . 98 98 A 19 ARG H A 19 ARG N 1.0 . . . 99 99 A 22 SER H A 22 SER N 1.0 . . . 100 100 A 23 GLU H A 23 GLU N 1.0 . . . 101 101 A 24 ASP H A 24 ASP N 1.0 . . . 102 102 A 25 ASP H A 25 ASP N 1.0 . . . 103 103 A 26 ALA H A 26 ALA N 1.0 . . . 104 104 A 29 GLU H A 29 GLU N 1.0 . . . 105 105 A 31 ALA H A 31 ALA N 1.0 . . . 106 106 A 33 GLU H A 33 GLU N 1.0 . . . 107 107 A 34 ALA H A 34 ALA N 1.0 . . . 108 108 A 35 ALA H A 35 ALA N 1.0 . . . 109 109 A 49 PHE H A 49 PHE N 1.0 . . . 110 110 A 50 ASP H A 50 ASP N 1.0 . . . 111 111 A 52 GLU H A 52 GLU N 1.0 . . . 112 112 A 54 LEU H A 54 LEU N 1.0 . . . 113 113 A 55 GLU H A 55 GLU N 1.0 . . . 114 114 A 57 THR H A 57 THR N 1.0 . . . 115 115 A 61 ALA H A 61 ALA N 1.0 . . . 116 116 A 65 GLU H A 65 GLU N 1.0 . . . 117 117 A 69 LEU H A 69 LEU N 1.0 . . . 118 118 A 70 GLU H A 70 GLU N 1.0 . . . 119 119 A 74 ASP H A 74 ASP N 1.0 . . . 120 120 A 75 ILE H A 75 ILE N 1.0 . . . 121 121 A 77 VAL H A 77 VAL N 1.0 . . . 122 122 A 78 TYR H A 78 TYR N 1.0 . . . 123 123 A 79 SER H A 79 SER N 1.0 . . . 124 124 A 82 GLU H A 82 GLU N 1.0 . . . 125 125 A 84 GLU H A 84 GLU N 1.0 . . . 126 126 A 85 SER H A 85 SER N 1.0 . . . 127 127 A 90 THR H A 90 THR N 1.0 . . . 128 128 A 95 ALA H A 95 ALA N 1.0 . . . 129 129 A 97 VAL H A 97 VAL N 1.0 . . . 130 130 A 99 ASP H A 99 ASP N 1.0 . . . 131 131 A 100 ARG H A 100 ARG N 1.0 . . . 132 132 A 101 ASP H A 101 ASP N 1.0 . . . 133 133 A 102 GLU H A 102 GLU N 1.0 . . . 134 134 A 103 VAL H A 103 VAL N 1.0 . . . 135 135 A 104 ALA H A 104 ALA N 1.0 . . . 136 136 A 105 GLU H A 105 GLU N 1.0 . . . 137 137 A 106 GLN H A 106 GLN N 1.0 . . . 138 138 A 107 LEU H A 107 LEU N 1.0 . . . 139 139 A 108 VAL H A 108 VAL N 1.0 . . . 140 140 A 110 VAL H A 110 VAL N 1.0 . . . 141 141 A 111 SER H A 111 SER N 1.0 . . . 142 142 A 112 ALA H A 112 ALA N 1.0 . . . 143 143 A 113 ALA H A 113 ALA N 1.0 . . . 144 144 A 114 SER H A 114 SER N 1.0 . . . 145 145 A 115 ALA H A 115 ALA N 1.0 . . . 146 146 A 116 ALA H A 116 ALA N 1.0 . . . 147 147 A 117 ALA H A 117 ALA N 1.0 . . . 148 148 A 118 SER H A 118 SER N 1.0 . . . 149 149 A 119 ALA H A 119 ALA N 1.0 . . . 150 150 A 120 PHE H A 120 PHE N 1.0 . . . 151 151 A 121 GLY H A 121 GLY N 1.0 . . . 152 152 A 122 SER H A 122 SER N 1.0 . . . 153 153 A 124 SER H A 124 SER N 1.0 . . . 154 154 A 125 SER H A 125 SER N 1.0 . . . 155 155 A 126 ALA H A 126 ALA N 1.0 . . . 156 156 A 127 LEU H A 127 LEU N 1.0 . . . 157 157 A 128 LEU H A 128 LEU N 1.0 . . . 158 158 A 132 ASP H A 132 ASP N 1.0 . . . 159 159 A 133 GLY H A 133 GLY N 1.0 . . . 160 160 A 134 LEU H A 134 LEU N 1.0 . . . 161 161 A 135 GLU H A 135 GLU N 1.0 . . . 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.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 11.0000 . . . . 2 ppm . . 26.0000 . . . . 3 ppm . . 16.0220 . . . . stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 11.0000 . . . . 2 ppm . . 24.0000 . aliased . . 3 ppm . . 18.0247 . . . . stop_ save_