data_nef_c15611_2jza save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code TargetDB EwR120 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 GLN middle . . 4 A 4 TRP middle . . 5 A 5 THR middle . . 6 A 6 THR middle . . 7 A 7 VAL middle . . 8 A 8 CYS middle . . 9 A 9 LYS middle . . 10 A 10 LEU middle . . 11 A 11 ASP middle . . 12 A 12 ASP middle . . 13 A 13 ILE middle . . 14 A 14 LEU middle . . 15 A 15 PRO middle . false 16 A 16 GLY middle . false 17 A 17 THR middle . . 18 A 18 GLY middle . false 19 A 19 VAL middle . . 20 A 20 CYS middle . . 21 A 21 ALA middle . . 22 A 22 LEU middle . . 23 A 23 VAL middle . . 24 A 24 GLU middle . . 25 A 25 GLN middle . . 26 A 26 GLN middle . . 27 A 27 GLN middle . . 28 A 28 ILE middle . . 29 A 29 ALA middle . . 30 A 30 VAL middle . . 31 A 31 PHE middle . . 32 A 32 ARG middle . . 33 A 33 PRO middle . false 34 A 34 ARG middle . . 35 A 35 ASN middle . . 36 A 36 ASP middle . . 37 A 37 GLU middle . . 38 A 38 GLN middle . . 39 A 39 VAL middle . . 40 A 40 TYR middle . . 41 A 41 ALA middle . . 42 A 42 ILE middle . . 43 A 43 SER middle . . 44 A 44 ASN middle . . 45 A 45 ILE middle . . 46 A 46 ASP middle . . 47 A 47 PRO middle . false 48 A 48 PHE middle . . 49 A 49 ALA middle . . 50 A 50 GLN middle . . 51 A 51 ALA middle . . 52 A 52 SER middle . . 53 A 53 VAL middle . . 54 A 54 LEU middle . . 55 A 55 SER middle . . 56 A 56 ARG middle . . 57 A 57 GLY middle . false 58 A 58 ILE middle . . 59 A 59 VAL middle . . 60 A 60 ALA middle . . 61 A 61 GLU middle . . 62 A 62 HIS middle . . 63 A 63 GLN middle . . 64 A 64 ASP middle . . 65 A 65 ASP middle . . 66 A 66 LEU middle . . 67 A 67 TRP middle . . 68 A 68 VAL middle . . 69 A 69 ALA middle . . 70 A 70 SER middle . . 71 A 71 PRO middle . false 72 A 72 LEU middle . . 73 A 73 LYS middle . . 74 A 74 LYS middle . . 75 A 75 GLN middle . . 76 A 76 HIS middle . . 77 A 77 PHE middle . . 78 A 78 ARG middle . . 79 A 79 LEU middle . . 80 A 80 TYR middle . . 81 A 81 ASP middle . . 82 A 82 GLY middle . false 83 A 83 PHE middle . . 84 A 84 CYS middle . . 85 A 85 LEU middle . . 86 A 86 GLU middle . . 87 A 87 ASP middle . . 88 A 88 GLY middle . false 89 A 89 ALA middle . . 90 A 90 TYR middle . . 91 A 91 SER middle . . 92 A 92 VAL middle . . 93 A 93 ALA middle . . 94 A 94 ALA middle . . 95 A 95 TYR middle . . 96 A 96 ASP middle . . 97 A 97 THR middle . . 98 A 98 GLN middle . . 99 A 99 VAL middle . . 100 A 100 THR middle . . 101 A 101 ASN middle . . 102 A 102 GLY middle . false 103 A 103 ASN middle . . 104 A 104 VAL middle . . 105 A 105 GLN middle . . 106 A 106 ILE middle . . 107 A 107 SER middle . . 108 A 108 ILE middle . . 109 A 109 ALA middle . . 110 A 110 ASP middle . . 111 A 111 SER middle . . 112 A 112 ASP middle . . 113 A 113 VAL middle . . 114 A 114 ALA middle . . 115 A 115 VAL middle . . 116 A 116 ASP middle . . 117 A 117 ASN middle . . 118 A 118 SER middle . . 119 A 119 GLN middle . . 120 A 120 PRO middle . false 121 A 121 LEU middle . . 122 A 122 PRO middle . false 123 A 123 LEU middle . . 124 A 124 GLU middle . . 125 A 125 HIS middle . . 126 A 126 HIS middle . . 127 A 127 HIS middle . . 128 A 128 HIS middle . . 129 A 129 HIS middle . . 130 A 130 HIS 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 GLN HA H 1 4.434 0.020 A 3 GLN HBx H 1 1.877 0.020 A 3 GLN HBy H 1 1.951 0.020 A 3 GLN HE2y H 1 7.454 0.020 A 3 GLN HE2x H 1 6.820 0.020 A 3 GLN HGx H 1 2.110 0.020 A 3 GLN HGy H 1 2.110 0.020 A 3 GLN C C 13 174.847 0.400 A 3 GLN CA C 13 55.086 0.400 A 3 GLN CB C 13 30.504 0.400 A 3 GLN CG C 13 33.205 0.400 A 3 GLN NE2 N 15 112.242 0.400 A 4 TRP H H 1 8.510 0.020 A 4 TRP HA H 1 4.857 0.020 A 4 TRP HBx H 1 2.859 0.020 A 4 TRP HBy H 1 2.906 0.020 A 4 TRP HD1 H 1 7.170 0.020 A 4 TRP HE1 H 1 9.936 0.020 A 4 TRP HE3 H 1 6.950 0.020 A 4 TRP HH2 H 1 6.849 0.020 A 4 TRP HZ2 H 1 7.288 0.020 A 4 TRP HZ3 H 1 6.699 0.020 A 4 TRP C C 13 176.661 0.400 A 4 TRP CA C 13 56.623 0.400 A 4 TRP CB C 13 31.400 0.400 A 4 TRP CD1 C 13 127.509 0.400 A 4 TRP CE3 C 13 119.210 0.400 A 4 TRP CH2 C 13 123.359 0.400 A 4 TRP CZ2 C 13 115.274 0.400 A 4 TRP CZ3 C 13 122.237 0.400 A 4 TRP N N 15 123.057 0.400 A 4 TRP NE1 N 15 128.763 0.400 A 5 THR H H 1 9.260 0.020 A 5 THR HA H 1 4.658 0.020 A 5 THR HB H 1 3.871 0.020 A 5 THR HG2% H 1 1.167 0.020 A 5 THR C C 13 174.089 0.400 A 5 THR CA C 13 61.541 0.400 A 5 THR CB C 13 71.058 0.400 A 5 THR CG2 C 13 21.034 0.400 A 5 THR N N 15 120.536 0.400 A 6 THR H H 1 9.244 0.020 A 6 THR HA H 1 4.527 0.020 A 6 THR HB H 1 4.101 0.020 A 6 THR HG2% H 1 1.097 0.020 A 6 THR C C 13 174.360 0.400 A 6 THR CA C 13 63.890 0.400 A 6 THR CB C 13 68.696 0.400 A 6 THR CG2 C 13 22.882 0.400 A 6 THR N N 15 126.335 0.400 A 7 VAL H H 1 9.104 0.020 A 7 VAL HA H 1 4.271 0.020 A 7 VAL HB H 1 1.870 0.020 A 7 VAL HG1% H 1 0.716 0.020 A 7 VAL HG2% H 1 0.791 0.020 A 7 VAL C C 13 174.658 0.400 A 7 VAL CA C 13 62.508 0.400 A 7 VAL CB C 13 33.397 0.400 A 7 VAL CG1 C 13 21.954 0.400 A 7 VAL CG2 C 13 20.211 0.400 A 7 VAL N N 15 123.038 0.400 A 8 CYS H H 1 7.552 0.020 A 8 CYS HA H 1 4.784 0.020 A 8 CYS HBy H 1 3.610 0.020 A 8 CYS HBx H 1 3.206 0.020 A 8 CYS C C 13 172.492 0.400 A 8 CYS CA C 13 56.623 0.400 A 8 CYS CB C 13 28.066 0.400 A 8 CYS N N 15 112.317 0.400 A 9 LYS H H 1 8.826 0.020 A 9 LYS HA H 1 4.949 0.020 A 9 LYS HB2 H 1 1.690 0.020 A 9 LYS HB3 H 1 1.931 0.020 A 9 LYS HDy H 1 1.733 0.020 A 9 LYS HDx H 1 1.662 0.020 A 9 LYS HEx H 1 2.994 0.020 A 9 LYS HEy H 1 2.994 0.020 A 9 LYS HGx H 1 1.527 0.020 A 9 LYS HGy H 1 1.527 0.020 A 9 LYS C C 13 178.583 0.400 A 9 LYS CA C 13 55.356 0.400 A 9 LYS CB C 13 32.106 0.400 A 9 LYS CD C 13 28.616 0.400 A 9 LYS CE C 13 41.880 0.400 A 9 LYS CG C 13 24.679 0.400 A 9 LYS N N 15 119.418 0.400 A 10 LEU H H 1 8.808 0.020 A 10 LEU HA H 1 3.739 0.020 A 10 LEU HB2 H 1 1.037 0.020 A 10 LEU HB3 H 1 1.715 0.020 A 10 LEU HD1% H 1 0.736 0.020 A 10 LEU HD2% H 1 0.865 0.020 A 10 LEU HG H 1 1.402 0.020 A 10 LEU C C 13 177.473 0.400 A 10 LEU CA C 13 58.568 0.400 A 10 LEU CB C 13 41.435 0.400 A 10 LEU CD1 C 13 23.117 0.400 A 10 LEU CD2 C 13 26.557 0.400 A 10 LEU CG C 13 26.661 0.400 A 10 LEU N N 15 126.290 0.400 A 11 ASP H H 1 8.135 0.020 A 11 ASP HA H 1 4.282 0.020 A 11 ASP HBy H 1 2.693 0.020 A 11 ASP HBx H 1 2.393 0.020 A 11 ASP C C 13 176.688 0.400 A 11 ASP CA C 13 55.495 0.400 A 11 ASP CB C 13 40.262 0.400 A 11 ASP N N 15 111.283 0.400 A 12 ASP H H 1 7.502 0.020 A 12 ASP HA H 1 4.519 0.020 A 12 ASP HBy H 1 2.942 0.020 A 12 ASP HBx H 1 2.812 0.020 A 12 ASP C C 13 175.713 0.400 A 12 ASP CA C 13 55.674 0.400 A 12 ASP CB C 13 40.903 0.400 A 12 ASP N N 15 116.885 0.400 A 13 ILE H H 1 7.897 0.020 A 13 ILE HA H 1 4.027 0.020 A 13 ILE HB H 1 1.852 0.020 A 13 ILE HD1% H 1 0.617 0.020 A 13 ILE HG1y H 1 1.527 0.020 A 13 ILE HG1x H 1 0.669 0.020 A 13 ILE HG2% H 1 0.760 0.020 A 13 ILE C C 13 174.360 0.400 A 13 ILE CA C 13 60.316 0.400 A 13 ILE CB C 13 37.889 0.400 A 13 ILE CD1 C 13 14.619 0.400 A 13 ILE CG1 C 13 26.032 0.400 A 13 ILE CG2 C 13 19.404 0.400 A 13 ILE N N 15 120.766 0.400 A 14 LEU H H 1 7.952 0.020 A 14 LEU HA H 1 4.425 0.020 A 14 LEU HBy H 1 1.614 0.020 A 14 LEU HBx H 1 1.560 0.020 A 14 LEU HD1% H 1 0.973 0.020 A 14 LEU HD2% H 1 0.916 0.020 A 14 LEU HG H 1 1.766 0.020 A 14 LEU CA C 13 53.622 0.400 A 14 LEU CB C 13 40.664 0.400 A 14 LEU CD1 C 13 24.824 0.400 A 14 LEU CD2 C 13 23.540 0.400 A 14 LEU CG C 13 27.104 0.400 A 14 LEU N N 15 128.295 0.400 A 15 PRO HA H 1 4.261 0.020 A 15 PRO HBx H 1 1.759 0.020 A 15 PRO HBy H 1 1.759 0.020 A 15 PRO HDy H 1 4.049 0.020 A 15 PRO HDx H 1 3.581 0.020 A 15 PRO HGx H 1 2.151 0.020 A 15 PRO HGy H 1 2.151 0.020 A 15 PRO C C 13 177.175 0.400 A 15 PRO CA C 13 64.342 0.400 A 15 PRO CB C 13 31.660 0.400 A 15 PRO CD C 13 50.695 0.400 A 15 PRO CG C 13 28.099 0.400 A 16 GLY H H 1 9.589 0.020 A 16 GLY HAy H 1 4.391 0.020 A 16 GLY HAx H 1 3.859 0.020 A 16 GLY C C 13 174.522 0.400 A 16 GLY CA C 13 45.139 0.400 A 16 GLY N N 15 111.628 0.400 A 17 THR H H 1 7.885 0.020 A 17 THR HA H 1 5.148 0.020 A 17 THR HB H 1 4.471 0.020 A 17 THR HG1 H 1 6.534 0.020 A 17 THR HG2% H 1 1.154 0.020 A 17 THR C C 13 172.465 0.400 A 17 THR CA C 13 60.717 0.400 A 17 THR CB C 13 72.741 0.400 A 17 THR CG2 C 13 21.358 0.400 A 17 THR N N 15 111.148 0.400 A 18 GLY H H 1 8.145 0.020 A 18 GLY HAx H 1 3.144 0.020 A 18 GLY HAy H 1 5.228 0.020 A 18 GLY C C 13 173.115 0.400 A 18 GLY CA C 13 44.597 0.400 A 18 GLY N N 15 104.807 0.400 A 19 VAL H H 1 8.657 0.020 A 19 VAL HA H 1 4.564 0.020 A 19 VAL HB H 1 2.035 0.020 A 19 VAL HG1% H 1 0.867 0.020 A 19 VAL HG2% H 1 0.711 0.020 A 19 VAL C C 13 173.115 0.400 A 19 VAL CA C 13 59.021 0.400 A 19 VAL CB C 13 35.790 0.400 A 19 VAL CG1 C 13 21.581 0.400 A 19 VAL CG2 C 13 18.958 0.400 A 19 VAL N N 15 113.860 0.400 A 20 CYS H H 1 8.320 0.020 A 20 CYS HA H 1 5.204 0.020 A 20 CYS HBy H 1 2.743 0.020 A 20 CYS HBx H 1 2.573 0.020 A 20 CYS C C 13 173.575 0.400 A 20 CYS CA C 13 56.324 0.400 A 20 CYS CB C 13 27.476 0.400 A 20 CYS N N 15 120.790 0.400 A 21 ALA H H 1 9.604 0.020 A 21 ALA HA H 1 4.599 0.020 A 21 ALA HB% H 1 1.062 0.020 A 21 ALA C C 13 174.414 0.400 A 21 ALA CA C 13 50.248 0.400 A 21 ALA CB C 13 21.798 0.400 A 21 ALA N N 15 132.307 0.400 A 22 LEU H H 1 8.344 0.020 A 22 LEU HA H 1 4.975 0.020 A 22 LEU HBy H 1 1.592 0.020 A 22 LEU HBx H 1 1.370 0.020 A 22 LEU HD1% H 1 0.663 0.020 A 22 LEU HD2% H 1 0.755 0.020 A 22 LEU HG H 1 1.334 0.020 A 22 LEU C C 13 176.444 0.400 A 22 LEU CA C 13 53.620 0.400 A 22 LEU CB C 13 42.818 0.400 A 22 LEU CD1 C 13 23.978 0.400 A 22 LEU CD2 C 13 25.087 0.400 A 22 LEU CG C 13 27.285 0.400 A 22 LEU N N 15 123.488 0.400 A 23 VAL H H 1 8.546 0.020 A 23 VAL HA H 1 4.114 0.020 A 23 VAL HB H 1 1.688 0.020 A 23 VAL HG1% H 1 0.750 0.020 A 23 VAL HG2% H 1 0.636 0.020 A 23 VAL C C 13 174.928 0.400 A 23 VAL CA C 13 61.164 0.400 A 23 VAL CB C 13 33.726 0.400 A 23 VAL CG1 C 13 21.392 0.400 A 23 VAL CG2 C 13 20.955 0.400 A 23 VAL N N 15 126.017 0.400 A 24 GLU H H 1 9.269 0.020 A 24 GLU HA H 1 3.745 0.020 A 24 GLU HBx H 1 2.019 0.020 A 24 GLU HBy H 1 2.153 0.020 A 24 GLU HGy H 1 2.284 0.020 A 24 GLU HGx H 1 2.175 0.020 A 24 GLU CA C 13 57.675 0.400 A 24 GLU CB C 13 26.745 0.400 A 24 GLU CG C 13 35.884 0.400 A 24 GLU N N 15 125.766 0.400 A 25 GLN H H 1 8.479 0.020 A 25 GLN HA H 1 3.881 0.020 A 25 GLN HBy H 1 2.330 0.020 A 25 GLN HBx H 1 2.242 0.020 A 25 GLN HE2y H 1 7.544 0.020 A 25 GLN HE2x H 1 6.822 0.020 A 25 GLN HGx H 1 2.262 0.020 A 25 GLN HGy H 1 2.314 0.020 A 25 GLN C C 13 175.145 0.400 A 25 GLN CA C 13 57.111 0.400 A 25 GLN CB C 13 27.484 0.400 A 25 GLN CG C 13 34.355 0.400 A 25 GLN N N 15 111.311 0.400 A 25 GLN NE2 N 15 112.401 0.400 A 26 GLN H H 1 8.380 0.020 A 26 GLN HA H 1 4.516 0.020 A 26 GLN HBy H 1 2.020 0.020 A 26 GLN HBx H 1 1.925 0.020 A 26 GLN HE2y H 1 7.537 0.020 A 26 GLN HE2x H 1 6.850 0.020 A 26 GLN HGx H 1 2.319 0.020 A 26 GLN HGy H 1 2.319 0.020 A 26 GLN C C 13 174.793 0.400 A 26 GLN CA C 13 54.433 0.400 A 26 GLN CB C 13 29.844 0.400 A 26 GLN CG C 13 33.579 0.400 A 26 GLN N N 15 120.287 0.400 A 26 GLN NE2 N 15 112.489 0.400 A 27 GLN H H 1 8.598 0.020 A 27 GLN HA H 1 4.618 0.020 A 27 GLN HBy H 1 2.081 0.020 A 27 GLN HBx H 1 1.912 0.020 A 27 GLN HE2y H 1 7.588 0.020 A 27 GLN HE2x H 1 6.954 0.020 A 27 GLN HGy H 1 2.343 0.020 A 27 GLN HGx H 1 2.085 0.020 A 27 GLN C C 13 175.470 0.400 A 27 GLN CA C 13 55.447 0.400 A 27 GLN CB C 13 28.926 0.400 A 27 GLN CG C 13 33.634 0.400 A 27 GLN N N 15 121.787 0.400 A 27 GLN NE2 N 15 113.026 0.400 A 28 ILE H H 1 9.253 0.020 A 28 ILE HA H 1 4.362 0.020 A 28 ILE HB H 1 1.490 0.020 A 28 ILE HD1% H 1 0.042 0.020 A 28 ILE HG1y H 1 1.023 0.020 A 28 ILE HG1x H 1 0.662 0.020 A 28 ILE HG2% H 1 0.506 0.020 A 28 ILE C C 13 173.250 0.400 A 28 ILE CA C 13 60.348 0.400 A 28 ILE CB C 13 41.308 0.400 A 28 ILE CD1 C 13 12.826 0.400 A 28 ILE CG1 C 13 27.038 0.400 A 28 ILE CG2 C 13 17.928 0.400 A 28 ILE N N 15 128.965 0.400 A 29 ALA H H 1 9.477 0.020 A 29 ALA HA H 1 4.705 0.020 A 29 ALA HB% H 1 1.226 0.020 A 29 ALA C C 13 175.253 0.400 A 29 ALA CA C 13 50.887 0.400 A 29 ALA CB C 13 20.183 0.400 A 29 ALA N N 15 130.851 0.400 A 30 VAL H H 1 8.687 0.020 A 30 VAL HA H 1 4.862 0.020 A 30 VAL HB H 1 1.803 0.020 A 30 VAL HG1% H 1 0.681 0.020 A 30 VAL HG2% H 1 0.654 0.020 A 30 VAL C C 13 174.928 0.400 A 30 VAL CA C 13 60.545 0.400 A 30 VAL CB C 13 32.488 0.400 A 30 VAL CG1 C 13 22.242 0.400 A 30 VAL CG2 C 13 20.947 0.400 A 30 VAL N N 15 121.292 0.400 A 31 PHE H H 1 9.442 0.020 A 31 PHE HA H 1 5.159 0.020 A 31 PHE HB2 H 1 2.773 0.020 A 31 PHE HB3 H 1 3.081 0.020 A 31 PHE HD1 H 1 7.022 0.020 A 31 PHE HD2 H 1 7.022 0.020 A 31 PHE HE1 H 1 7.138 0.020 A 31 PHE HE2 H 1 7.138 0.020 A 31 PHE C C 13 175.307 0.400 A 31 PHE CA C 13 57.176 0.400 A 31 PHE CB C 13 43.869 0.400 A 31 PHE CD1 C 13 131.888 0.400 A 31 PHE CE1 C 13 131.106 0.400 A 31 PHE N N 15 121.664 0.400 A 32 ARG H H 1 8.270 0.020 A 32 ARG HA H 1 5.403 0.020 A 32 ARG HBy H 1 2.128 0.020 A 32 ARG HBx H 1 1.344 0.020 A 32 ARG HDx H 1 3.021 0.020 A 32 ARG HDy H 1 3.021 0.020 A 32 ARG HE H 1 7.152 0.020 A 32 ARG HGx H 1 1.573 0.020 A 32 ARG HGy H 1 2.292 0.020 A 32 ARG HH2x H 1 6.130 0.020 A 32 ARG HH2y H 1 6.130 0.020 A 32 ARG CA C 13 52.240 0.400 A 32 ARG CB C 13 33.491 0.400 A 32 ARG CD C 13 45.256 0.400 A 32 ARG CG C 13 25.567 0.400 A 32 ARG N N 15 121.654 0.400 A 32 ARG NE N 15 83.658 0.400 A 33 PRO HA H 1 4.401 0.020 A 33 PRO HBy H 1 2.311 0.020 A 33 PRO HBx H 1 2.024 0.020 A 33 PRO HDx H 1 3.717 0.020 A 33 PRO HDy H 1 4.110 0.020 A 33 PRO HGx H 1 1.771 0.020 A 33 PRO HGy H 1 2.143 0.020 A 33 PRO C C 13 175.605 0.400 A 33 PRO CA C 13 65.397 0.400 A 33 PRO CB C 13 33.263 0.400 A 33 PRO CD C 13 50.055 0.400 A 33 PRO CG C 13 27.832 0.400 A 34 ARG H H 1 9.284 0.020 A 34 ARG HA H 1 4.776 0.020 A 34 ARG HBx H 1 1.788 0.020 A 34 ARG HBy H 1 1.788 0.020 A 34 ARG HDy H 1 3.250 0.020 A 34 ARG HDx H 1 3.186 0.020 A 34 ARG HE H 1 7.541 0.020 A 34 ARG HGy H 1 1.561 0.020 A 34 ARG HGx H 1 1.482 0.020 A 34 ARG C C 13 174.252 0.400 A 34 ARG CA C 13 53.935 0.400 A 34 ARG CB C 13 33.153 0.400 A 34 ARG CD C 13 43.200 0.400 A 34 ARG CG C 13 27.947 0.400 A 34 ARG N N 15 117.273 0.400 A 34 ARG NE N 15 84.857 0.400 A 35 ASN H H 1 8.353 0.020 A 35 ASN HA H 1 4.743 0.020 A 35 ASN HBy H 1 2.923 0.020 A 35 ASN HBx H 1 2.626 0.020 A 35 ASN HD2y H 1 7.524 0.020 A 35 ASN HD2x H 1 6.804 0.020 A 35 ASN C C 13 174.658 0.400 A 35 ASN CA C 13 51.736 0.400 A 35 ASN CB C 13 36.351 0.400 A 35 ASN N N 15 117.626 0.400 A 35 ASN ND2 N 15 110.211 0.400 A 36 ASP H H 1 8.046 0.020 A 36 ASP HA H 1 4.624 0.020 A 36 ASP HBy H 1 3.052 0.020 A 36 ASP HBx H 1 2.692 0.020 A 36 ASP C C 13 175.930 0.400 A 36 ASP CA C 13 53.123 0.400 A 36 ASP CB C 13 40.378 0.400 A 36 ASP N N 15 121.900 0.400 A 37 GLU H H 1 8.124 0.020 A 37 GLU HA H 1 4.461 0.020 A 37 GLU HBy H 1 2.163 0.020 A 37 GLU HBx H 1 1.817 0.020 A 37 GLU HGx H 1 2.026 0.020 A 37 GLU HGy H 1 2.206 0.020 A 37 GLU C C 13 175.145 0.400 A 37 GLU CA C 13 55.687 0.400 A 37 GLU CB C 13 28.938 0.400 A 37 GLU CG C 13 36.278 0.400 A 37 GLU N N 15 114.624 0.400 A 38 GLN H H 1 7.873 0.020 A 38 GLN HA H 1 4.178 0.020 A 38 GLN HBx H 1 1.965 0.020 A 38 GLN HBy H 1 2.073 0.020 A 38 GLN HE2y H 1 7.026 0.020 A 38 GLN HE2x H 1 6.850 0.020 A 38 GLN HGy H 1 2.133 0.020 A 38 GLN HGx H 1 1.898 0.020 A 38 GLN C C 13 174.820 0.400 A 38 GLN CA C 13 55.954 0.400 A 38 GLN CB C 13 28.613 0.400 A 38 GLN CG C 13 33.758 0.400 A 38 GLN N N 15 120.277 0.400 A 38 GLN NE2 N 15 113.819 0.400 A 39 VAL H H 1 7.748 0.020 A 39 VAL HA H 1 5.440 0.020 A 39 VAL HB H 1 1.889 0.020 A 39 VAL HG1% H 1 0.700 0.020 A 39 VAL HG2% H 1 0.657 0.020 A 39 VAL C C 13 174.685 0.400 A 39 VAL CA C 13 58.354 0.400 A 39 VAL CB C 13 35.482 0.400 A 39 VAL CG1 C 13 21.824 0.400 A 39 VAL CG2 C 13 18.444 0.400 A 39 VAL N N 15 118.544 0.400 A 40 TYR H H 1 8.751 0.020 A 40 TYR HA H 1 5.001 0.020 A 40 TYR HB2 H 1 2.498 0.020 A 40 TYR HB3 H 1 3.254 0.020 A 40 TYR HD1 H 1 6.909 0.020 A 40 TYR HD2 H 1 6.909 0.020 A 40 TYR HE1 H 1 6.701 0.020 A 40 TYR HE2 H 1 6.701 0.020 A 40 TYR C C 13 173.981 0.400 A 40 TYR CA C 13 57.006 0.400 A 40 TYR CB C 13 43.896 0.400 A 40 TYR CD1 C 13 133.151 0.400 A 40 TYR CE1 C 13 117.503 0.400 A 40 TYR N N 15 119.017 0.400 A 41 ALA H H 1 9.007 0.020 A 41 ALA HA H 1 6.295 0.020 A 41 ALA HB% H 1 1.290 0.020 A 41 ALA C C 13 176.607 0.400 A 41 ALA CA C 13 50.509 0.400 A 41 ALA CB C 13 22.911 0.400 A 41 ALA N N 15 124.513 0.400 A 42 ILE H H 1 9.194 0.020 A 42 ILE HA H 1 5.541 0.020 A 42 ILE HB H 1 2.183 0.020 A 42 ILE HD1% H 1 0.778 0.020 A 42 ILE HG1y H 1 1.789 0.020 A 42 ILE HG1x H 1 1.060 0.020 A 42 ILE HG2% H 1 1.050 0.020 A 42 ILE C C 13 175.064 0.400 A 42 ILE CA C 13 59.257 0.400 A 42 ILE CB C 13 44.131 0.400 A 42 ILE CD1 C 13 14.049 0.400 A 42 ILE CG1 C 13 25.035 0.400 A 42 ILE CG2 C 13 18.676 0.400 A 42 ILE N N 15 117.933 0.400 A 43 SER H H 1 8.474 0.020 A 43 SER HA H 1 4.366 0.020 A 43 SER HBx H 1 3.778 0.020 A 43 SER HBy H 1 4.277 0.020 A 43 SER C C 13 172.546 0.400 A 43 SER CA C 13 59.037 0.400 A 43 SER CB C 13 64.654 0.400 A 43 SER N N 15 112.899 0.400 A 44 ASN H H 1 8.047 0.020 A 44 ASN HA H 1 4.930 0.020 A 44 ASN HBy H 1 2.184 0.020 A 44 ASN HBx H 1 2.045 0.020 A 44 ASN HD2y H 1 7.873 0.020 A 44 ASN HD2x H 1 7.374 0.020 A 44 ASN C C 13 175.903 0.400 A 44 ASN CA C 13 53.395 0.400 A 44 ASN CB C 13 40.568 0.400 A 44 ASN N N 15 117.748 0.400 A 44 ASN ND2 N 15 117.318 0.400 A 45 ILE H H 1 8.056 0.020 A 45 ILE HA H 1 4.114 0.020 A 45 ILE HB H 1 1.938 0.020 A 45 ILE HD1% H 1 0.787 0.020 A 45 ILE HG1y H 1 1.433 0.020 A 45 ILE HG1x H 1 1.127 0.020 A 45 ILE HG2% H 1 0.527 0.020 A 45 ILE C C 13 175.091 0.400 A 45 ILE CA C 13 59.881 0.400 A 45 ILE CB C 13 36.910 0.400 A 45 ILE CD1 C 13 11.754 0.400 A 45 ILE CG1 C 13 27.832 0.400 A 45 ILE CG2 C 13 16.997 0.400 A 45 ILE N N 15 117.802 0.400 A 46 ASP H H 1 8.591 0.020 A 46 ASP HA H 1 4.421 0.020 A 46 ASP HBy H 1 2.968 0.020 A 46 ASP HBx H 1 2.502 0.020 A 46 ASP CA C 13 50.536 0.400 A 46 ASP CB C 13 42.562 0.400 A 46 ASP N N 15 128.036 0.400 A 47 PRO HA H 1 4.452 0.020 A 47 PRO HBy H 1 2.198 0.020 A 47 PRO HBx H 1 1.980 0.020 A 47 PRO HDx H 1 4.060 0.020 A 47 PRO HDy H 1 4.060 0.020 A 47 PRO HGx H 1 1.993 0.020 A 47 PRO HGy H 1 2.790 0.020 A 47 PRO C C 13 178.068 0.400 A 47 PRO CA C 13 63.482 0.400 A 47 PRO CB C 13 32.054 0.400 A 47 PRO CD C 13 50.931 0.400 A 47 PRO CG C 13 26.842 0.400 A 48 PHE H H 1 9.111 0.020 A 48 PHE HA H 1 4.207 0.020 A 48 PHE HBx H 1 2.898 0.020 A 48 PHE HBy H 1 3.404 0.020 A 48 PHE HD1 H 1 7.155 0.020 A 48 PHE HD2 H 1 7.155 0.020 A 48 PHE HE1 H 1 6.845 0.020 A 48 PHE HE2 H 1 6.845 0.020 A 48 PHE C C 13 177.365 0.400 A 48 PHE CA C 13 61.061 0.400 A 48 PHE CB C 13 37.682 0.400 A 48 PHE CD1 C 13 130.995 0.400 A 48 PHE CE1 C 13 129.460 0.400 A 48 PHE N N 15 121.539 0.400 A 49 ALA H H 1 7.320 0.020 A 49 ALA HA H 1 4.357 0.020 A 49 ALA HB% H 1 1.318 0.020 A 49 ALA C C 13 177.121 0.400 A 49 ALA CA C 13 51.471 0.400 A 49 ALA CB C 13 22.189 0.400 A 49 ALA N N 15 119.979 0.400 A 50 GLN H H 1 8.590 0.020 A 50 GLN HA H 1 3.598 0.020 A 50 GLN HBx H 1 2.114 0.020 A 50 GLN HBy H 1 2.223 0.020 A 50 GLN HE2y H 1 7.471 0.020 A 50 GLN HE2x H 1 6.837 0.020 A 50 GLN HGy H 1 2.269 0.020 A 50 GLN HGx H 1 2.201 0.020 A 50 GLN C C 13 174.035 0.400 A 50 GLN CA C 13 56.218 0.400 A 50 GLN CB C 13 25.489 0.400 A 50 GLN CG C 13 33.505 0.400 A 50 GLN N N 15 115.731 0.400 A 50 GLN NE2 N 15 112.484 0.400 A 51 ALA H H 1 7.057 0.020 A 51 ALA HA H 1 4.807 0.020 A 51 ALA HB% H 1 1.235 0.020 A 51 ALA CA C 13 50.351 0.400 A 51 ALA CB C 13 23.886 0.400 A 51 ALA N N 15 118.114 0.400 A 52 SER HA H 1 4.530 0.020 A 52 SER HBy H 1 4.138 0.020 A 52 SER HBx H 1 3.563 0.020 A 52 SER C C 13 173.764 0.400 A 52 SER CA C 13 56.387 0.400 A 52 SER CB C 13 61.836 0.400 A 53 VAL H H 1 7.401 0.020 A 53 VAL HA H 1 4.925 0.020 A 53 VAL HB H 1 2.421 0.020 A 53 VAL HG1% H 1 0.805 0.020 A 53 VAL HG2% H 1 0.809 0.020 A 53 VAL C C 13 176.823 0.400 A 53 VAL CA C 13 60.981 0.400 A 53 VAL CB C 13 36.035 0.400 A 53 VAL CG1 C 13 21.504 0.400 A 53 VAL CG2 C 13 18.313 0.400 A 53 VAL N N 15 116.149 0.400 A 54 LEU H H 1 8.626 0.020 A 54 LEU HA H 1 3.908 0.020 A 54 LEU HB2 H 1 2.021 0.020 A 54 LEU HB3 H 1 1.287 0.020 A 54 LEU HD1% H 1 0.525 0.020 A 54 LEU HD2% H 1 0.895 0.020 A 54 LEU HG H 1 1.582 0.020 A 54 LEU C C 13 179.584 0.400 A 54 LEU CA C 13 60.088 0.400 A 54 LEU CB C 13 40.682 0.400 A 54 LEU CD1 C 13 24.616 0.400 A 54 LEU CD2 C 13 23.433 0.400 A 54 LEU CG C 13 27.251 0.400 A 54 LEU N N 15 120.861 0.400 A 55 SER H H 1 9.859 0.020 A 55 SER HA H 1 3.788 0.020 A 55 SER HBx H 1 3.206 0.020 A 55 SER HBy H 1 3.433 0.020 A 55 SER C C 13 174.306 0.400 A 55 SER CA C 13 61.651 0.400 A 55 SER CB C 13 61.945 0.400 A 55 SER N N 15 113.600 0.400 A 56 ARG H H 1 7.484 0.020 A 56 ARG HA H 1 4.569 0.020 A 56 ARG HBy H 1 2.134 0.020 A 56 ARG HBx H 1 1.866 0.020 A 56 ARG HDx H 1 3.253 0.020 A 56 ARG HDy H 1 3.253 0.020 A 56 ARG HE H 1 7.313 0.020 A 56 ARG HGx H 1 1.696 0.020 A 56 ARG HGy H 1 1.696 0.020 A 56 ARG C C 13 177.635 0.400 A 56 ARG CA C 13 55.482 0.400 A 56 ARG CB C 13 30.453 0.400 A 56 ARG CD C 13 43.716 0.400 A 56 ARG CG C 13 27.572 0.400 A 56 ARG N N 15 118.530 0.400 A 56 ARG NE N 15 84.727 0.400 A 57 GLY H H 1 8.525 0.020 A 57 GLY HAx H 1 4.058 0.020 A 57 GLY HAy H 1 4.058 0.020 A 57 GLY C C 13 171.680 0.400 A 57 GLY CA C 13 45.220 0.400 A 57 GLY N N 15 108.260 0.400 A 58 ILE H H 1 7.740 0.020 A 58 ILE HA H 1 4.329 0.020 A 58 ILE HB H 1 1.804 0.020 A 58 ILE HD1% H 1 0.893 0.020 A 58 ILE HG1x H 1 1.335 0.020 A 58 ILE HG1y H 1 1.623 0.020 A 58 ILE HG2% H 1 0.917 0.020 A 58 ILE C C 13 176.444 0.400 A 58 ILE CA C 13 60.261 0.400 A 58 ILE CB C 13 39.197 0.400 A 58 ILE CD1 C 13 12.171 0.400 A 58 ILE CG1 C 13 27.624 0.400 A 58 ILE CG2 C 13 17.569 0.400 A 58 ILE N N 15 118.481 0.400 A 59 VAL H H 1 8.815 0.020 A 59 VAL HA H 1 4.949 0.020 A 59 VAL HB H 1 1.956 0.020 A 59 VAL HG1% H 1 0.706 0.020 A 59 VAL HG2% H 1 0.631 0.020 A 59 VAL C C 13 175.389 0.400 A 59 VAL CA C 13 61.182 0.400 A 59 VAL CB C 13 32.146 0.400 A 59 VAL CG1 C 13 22.330 0.400 A 59 VAL CG2 C 13 22.850 0.400 A 59 VAL N N 15 130.587 0.400 A 60 ALA H H 1 9.036 0.020 A 60 ALA HA H 1 4.688 0.020 A 60 ALA HB% H 1 1.452 0.020 A 60 ALA C C 13 176.255 0.400 A 60 ALA CA C 13 51.247 0.400 A 60 ALA CB C 13 22.810 0.400 A 60 ALA N N 15 128.552 0.400 A 61 GLU H H 1 8.806 0.020 A 61 GLU HA H 1 5.150 0.020 A 61 GLU HBy H 1 2.007 0.020 A 61 GLU HBx H 1 1.880 0.020 A 61 GLU HGy H 1 2.154 0.020 A 61 GLU HGx H 1 2.055 0.020 A 61 GLU C C 13 176.444 0.400 A 61 GLU CA C 13 55.554 0.400 A 61 GLU CB C 13 30.904 0.400 A 61 GLU CG C 13 36.568 0.400 A 61 GLU N N 15 122.957 0.400 A 62 HIS H H 1 9.402 0.020 A 62 HIS HA H 1 4.675 0.020 A 62 HIS HBy H 1 2.772 0.020 A 62 HIS HBx H 1 2.530 0.020 A 62 HIS HD2 H 1 6.070 0.020 A 62 HIS HE1 H 1 7.811 0.020 A 62 HIS C C 13 174.901 0.400 A 62 HIS CA C 13 57.150 0.400 A 62 HIS CB C 13 31.320 0.400 A 62 HIS CD2 C 13 119.041 0.400 A 62 HIS CE1 C 13 138.477 0.400 A 62 HIS N N 15 122.988 0.400 A 62 HIS ND1 N 15 213.033 0.400 A 62 HIS NE2 N 15 180.582 0.400 A 63 GLN H H 1 9.312 0.020 A 63 GLN HA H 1 3.718 0.020 A 63 GLN HBy H 1 2.184 0.020 A 63 GLN HBx H 1 1.905 0.020 A 63 GLN HE2y H 1 7.386 0.020 A 63 GLN HE2x H 1 6.730 0.020 A 63 GLN HGy H 1 1.935 0.020 A 63 GLN HGx H 1 1.612 0.020 A 63 GLN C C 13 174.793 0.400 A 63 GLN CA C 13 57.154 0.400 A 63 GLN CB C 13 26.400 0.400 A 63 GLN CG C 13 33.871 0.400 A 63 GLN N N 15 127.554 0.400 A 63 GLN NE2 N 15 110.859 0.400 A 64 ASP H H 1 8.889 0.020 A 64 ASP HA H 1 4.222 0.020 A 64 ASP HBy H 1 2.959 0.020 A 64 ASP HBx H 1 2.890 0.020 A 64 ASP C C 13 174.197 0.400 A 64 ASP CA C 13 56.504 0.400 A 64 ASP CB C 13 39.926 0.400 A 64 ASP N N 15 110.779 0.400 A 65 ASP H H 1 7.899 0.020 A 65 ASP HA H 1 5.273 0.020 A 65 ASP HBx H 1 2.035 0.020 A 65 ASP HBy H 1 2.553 0.020 A 65 ASP C C 13 174.685 0.400 A 65 ASP CA C 13 53.123 0.400 A 65 ASP CB C 13 46.228 0.400 A 65 ASP N N 15 118.569 0.400 A 66 LEU H H 1 7.865 0.020 A 66 LEU HA H 1 4.826 0.020 A 66 LEU HB2 H 1 1.410 0.020 A 66 LEU HB3 H 1 0.900 0.020 A 66 LEU HD1% H 1 0.774 0.020 A 66 LEU HD2% H 1 0.686 0.020 A 66 LEU HG H 1 1.655 0.020 A 66 LEU C C 13 176.877 0.400 A 66 LEU CA C 13 54.179 0.400 A 66 LEU CB C 13 44.165 0.400 A 66 LEU CD1 C 13 25.797 0.400 A 66 LEU CD2 C 13 22.768 0.400 A 66 LEU CG C 13 26.338 0.400 A 66 LEU N N 15 117.203 0.400 A 67 TRP H H 1 8.631 0.020 A 67 TRP HA H 1 5.173 0.020 A 67 TRP HBy H 1 3.105 0.020 A 67 TRP HBx H 1 2.995 0.020 A 67 TRP HD1 H 1 7.528 0.020 A 67 TRP HE1 H 1 10.539 0.020 A 67 TRP HE3 H 1 7.219 0.020 A 67 TRP HH2 H 1 7.289 0.020 A 67 TRP HZ2 H 1 7.798 0.020 A 67 TRP HZ3 H 1 7.216 0.020 A 67 TRP C C 13 174.766 0.400 A 67 TRP CA C 13 54.908 0.400 A 67 TRP CB C 13 31.606 0.400 A 67 TRP CD1 C 13 129.493 0.400 A 67 TRP CE3 C 13 120.033 0.400 A 67 TRP CH2 C 13 124.282 0.400 A 67 TRP CZ2 C 13 114.614 0.400 A 67 TRP CZ3 C 13 123.548 0.400 A 67 TRP N N 15 121.732 0.400 A 67 TRP NE1 N 15 132.202 0.400 A 68 VAL H H 1 9.381 0.020 A 68 VAL HA H 1 5.014 0.020 A 68 VAL HB H 1 1.213 0.020 A 68 VAL HG1% H 1 1.010 0.020 A 68 VAL HG2% H 1 0.861 0.020 A 68 VAL C C 13 172.898 0.400 A 68 VAL CA C 13 58.472 0.400 A 68 VAL CB C 13 34.038 0.400 A 68 VAL CG1 C 13 20.075 0.400 A 68 VAL CG2 C 13 22.223 0.400 A 68 VAL N N 15 120.790 0.400 A 69 ALA H H 1 8.341 0.020 A 69 ALA HA H 1 4.973 0.020 A 69 ALA HB% H 1 0.893 0.020 A 69 ALA C C 13 178.041 0.400 A 69 ALA CA C 13 48.568 0.400 A 69 ALA CB C 13 19.199 0.400 A 69 ALA N N 15 130.108 0.400 A 70 SER H H 1 9.301 0.020 A 70 SER HA H 1 4.445 0.020 A 70 SER HBy H 1 4.192 0.020 A 70 SER HBx H 1 3.858 0.020 A 70 SER CA C 13 55.401 0.400 A 70 SER CB C 13 64.041 0.400 A 70 SER N N 15 117.298 0.400 A 71 PRO HA H 1 4.531 0.020 A 71 PRO HBy H 1 2.205 0.020 A 71 PRO HBx H 1 2.004 0.020 A 71 PRO HDy H 1 3.926 0.020 A 71 PRO HDx H 1 3.581 0.020 A 71 PRO HGx H 1 1.829 0.020 A 71 PRO HGy H 1 2.026 0.020 A 71 PRO C C 13 176.336 0.400 A 71 PRO CA C 13 63.846 0.400 A 71 PRO CB C 13 31.998 0.400 A 71 PRO CD C 13 50.915 0.400 A 71 PRO CG C 13 27.315 0.400 A 72 LEU H H 1 7.784 0.020 A 72 LEU HA H 1 4.554 0.020 A 72 LEU HB2 H 1 1.886 0.020 A 72 LEU HB3 H 1 1.406 0.020 A 72 LEU HD1% H 1 0.850 0.020 A 72 LEU HD2% H 1 0.795 0.020 A 72 LEU HG H 1 1.461 0.020 A 72 LEU C C 13 176.363 0.400 A 72 LEU CA C 13 55.518 0.400 A 72 LEU CB C 13 38.656 0.400 A 72 LEU CD1 C 13 26.395 0.400 A 72 LEU CD2 C 13 21.922 0.400 A 72 LEU CG C 13 27.122 0.400 A 72 LEU N N 15 120.273 0.400 A 73 LYS H H 1 8.364 0.020 A 73 LYS HA H 1 4.438 0.020 A 73 LYS HBx H 1 1.621 0.020 A 73 LYS HBy H 1 1.895 0.020 A 73 LYS HDx H 1 1.548 0.020 A 73 LYS HDy H 1 1.548 0.020 A 73 LYS HEx H 1 2.875 0.020 A 73 LYS HEy H 1 2.875 0.020 A 73 LYS HGy H 1 1.372 0.020 A 73 LYS HGx H 1 1.147 0.020 A 73 LYS C C 13 176.309 0.400 A 73 LYS CA C 13 55.187 0.400 A 73 LYS CB C 13 30.616 0.400 A 73 LYS CD C 13 28.512 0.400 A 73 LYS CE C 13 42.058 0.400 A 73 LYS CG C 13 25.309 0.400 A 73 LYS N N 15 116.310 0.400 A 74 LYS H H 1 6.850 0.020 A 74 LYS HA H 1 4.154 0.020 A 74 LYS HBx H 1 1.762 0.020 A 74 LYS HBy H 1 1.762 0.020 A 74 LYS HDy H 1 1.575 0.020 A 74 LYS HDx H 1 1.445 0.020 A 74 LYS HEx H 1 2.862 0.020 A 74 LYS HEy H 1 2.862 0.020 A 74 LYS HGx H 1 1.146 0.020 A 74 LYS HGy H 1 1.146 0.020 A 74 LYS C C 13 174.874 0.400 A 74 LYS CA C 13 57.614 0.400 A 74 LYS CB C 13 28.280 0.400 A 74 LYS CD C 13 28.874 0.400 A 74 LYS CE C 13 42.314 0.400 A 74 LYS CG C 13 25.109 0.400 A 74 LYS N N 15 109.132 0.400 A 75 GLN H H 1 7.811 0.020 A 75 GLN HA H 1 3.658 0.020 A 75 GLN HBx H 1 1.218 0.020 A 75 GLN HBy H 1 1.611 0.020 A 75 GLN HE2y H 1 6.068 0.020 A 75 GLN HE2x H 1 5.336 0.020 A 75 GLN HGx H 1 1.445 0.020 A 75 GLN HGy H 1 1.510 0.020 A 75 GLN C C 13 174.197 0.400 A 75 GLN CA C 13 58.478 0.400 A 75 GLN CB C 13 26.207 0.400 A 75 GLN CG C 13 33.357 0.400 A 75 GLN N N 15 116.317 0.400 A 75 GLN NE2 N 15 106.557 0.400 A 76 HIS H H 1 10.436 0.020 A 76 HIS HA H 1 5.305 0.020 A 76 HIS HBx H 1 2.637 0.020 A 76 HIS HBy H 1 2.637 0.020 A 76 HIS HD2 H 1 6.873 0.020 A 76 HIS HE1 H 1 8.184 0.020 A 76 HIS C C 13 174.143 0.400 A 76 HIS CA C 13 56.319 0.400 A 76 HIS CB C 13 31.006 0.400 A 76 HIS CD2 C 13 117.742 0.400 A 76 HIS N N 15 118.306 0.400 A 76 HIS ND1 N 15 182.351 0.400 A 76 HIS NE2 N 15 172.969 0.400 A 77 PHE H H 1 9.354 0.020 A 77 PHE HA H 1 5.398 0.020 A 77 PHE HB2 H 1 2.767 0.020 A 77 PHE HB3 H 1 2.635 0.020 A 77 PHE HD1 H 1 7.269 0.020 A 77 PHE HD2 H 1 7.269 0.020 A 77 PHE HE1 H 1 7.551 0.020 A 77 PHE HE2 H 1 7.551 0.020 A 77 PHE C C 13 174.901 0.400 A 77 PHE CA C 13 56.157 0.400 A 77 PHE CB C 13 40.563 0.400 A 77 PHE CD1 C 13 132.329 0.400 A 77 PHE N N 15 120.674 0.400 A 78 ARG H H 1 10.067 0.020 A 78 ARG HA H 1 3.590 0.020 A 78 ARG HBy H 1 1.983 0.020 A 78 ARG HBx H 1 0.389 0.020 A 78 ARG HDy H 1 2.661 0.020 A 78 ARG HDx H 1 1.900 0.020 A 78 ARG HE H 1 7.771 0.020 A 78 ARG HGx H 1 0.491 0.020 A 78 ARG HGy H 1 0.790 0.020 A 78 ARG HH1x H 1 6.312 0.020 A 78 ARG HH1y H 1 6.312 0.020 A 78 ARG C C 13 177.338 0.400 A 78 ARG CA C 13 57.719 0.400 A 78 ARG CB C 13 30.773 0.400 A 78 ARG CD C 13 43.990 0.400 A 78 ARG CG C 13 25.577 0.400 A 78 ARG N N 15 130.948 0.400 A 78 ARG NE N 15 82.827 0.400 A 79 LEU H H 1 7.635 0.020 A 79 LEU HA H 1 3.752 0.020 A 79 LEU HBy H 1 1.011 0.020 A 79 LEU HBx H 1 0.763 0.020 A 79 LEU HD1% H 1 0.297 0.020 A 79 LEU HD2% H 1 0.217 0.020 A 79 LEU HG H 1 1.038 0.020 A 79 LEU C C 13 178.041 0.400 A 79 LEU CA C 13 57.876 0.400 A 79 LEU CB C 13 39.454 0.400 A 79 LEU CD1 C 13 25.889 0.400 A 79 LEU CD2 C 13 22.697 0.400 A 79 LEU CG C 13 26.955 0.400 A 79 LEU N N 15 123.675 0.400 A 80 TYR H H 1 7.770 0.020 A 80 TYR HA H 1 4.576 0.020 A 80 TYR HB2 H 1 3.381 0.020 A 80 TYR HB3 H 1 2.708 0.020 A 80 TYR HD1 H 1 6.980 0.020 A 80 TYR HD2 H 1 6.980 0.020 A 80 TYR HE1 H 1 6.673 0.020 A 80 TYR HE2 H 1 6.673 0.020 A 80 TYR C C 13 176.146 0.400 A 80 TYR CA C 13 59.096 0.400 A 80 TYR CB C 13 37.489 0.400 A 80 TYR CD1 C 13 133.370 0.400 A 80 TYR CE1 C 13 117.830 0.400 A 80 TYR N N 15 110.519 0.400 A 81 ASP H H 1 6.845 0.020 A 81 ASP HA H 1 4.492 0.020 A 81 ASP HBy H 1 2.903 0.020 A 81 ASP HBx H 1 2.418 0.020 A 81 ASP C C 13 176.282 0.400 A 81 ASP CA C 13 52.873 0.400 A 81 ASP CB C 13 41.730 0.400 A 81 ASP N N 15 115.540 0.400 A 82 GLY H H 1 8.544 0.020 A 82 GLY HAy H 1 4.834 0.020 A 82 GLY HAx H 1 3.530 0.020 A 82 GLY C C 13 173.846 0.400 A 82 GLY CA C 13 45.820 0.400 A 82 GLY N N 15 112.075 0.400 A 83 PHE H H 1 7.350 0.020 A 83 PHE HA H 1 4.536 0.020 A 83 PHE HBx H 1 2.616 0.020 A 83 PHE HBy H 1 3.254 0.020 A 83 PHE HD1 H 1 7.237 0.020 A 83 PHE HD2 H 1 7.237 0.020 A 83 PHE C C 13 175.037 0.400 A 83 PHE CA C 13 58.296 0.400 A 83 PHE CB C 13 40.758 0.400 A 83 PHE CD1 C 13 131.565 0.400 A 83 PHE N N 15 119.650 0.400 A 84 CYS H H 1 7.496 0.020 A 84 CYS HA H 1 5.172 0.020 A 84 CYS HBx H 1 2.823 0.020 A 84 CYS HBy H 1 2.823 0.020 A 84 CYS C C 13 173.304 0.400 A 84 CYS CA C 13 56.300 0.400 A 84 CYS CB C 13 27.736 0.400 A 84 CYS N N 15 127.834 0.400 A 85 LEU H H 1 7.674 0.020 A 85 LEU HA H 1 3.658 0.020 A 85 LEU HBy H 1 1.325 0.020 A 85 LEU HBx H 1 1.035 0.020 A 85 LEU HD1% H 1 0.411 0.020 A 85 LEU HD2% H 1 -0.218 0.020 A 85 LEU HG H 1 1.030 0.020 A 85 LEU C C 13 178.420 0.400 A 85 LEU CA C 13 57.549 0.400 A 85 LEU CB C 13 42.689 0.400 A 85 LEU CD1 C 13 22.389 0.400 A 85 LEU CD2 C 13 24.787 0.400 A 85 LEU CG C 13 26.122 0.400 A 85 LEU N N 15 128.187 0.400 A 86 GLU H H 1 8.742 0.020 A 86 GLU HA H 1 3.706 0.020 A 86 GLU HBx H 1 1.777 0.020 A 86 GLU HBy H 1 1.777 0.020 A 86 GLU HGx H 1 2.047 0.020 A 86 GLU HGy H 1 2.430 0.020 A 86 GLU C C 13 177.446 0.400 A 86 GLU CA C 13 61.262 0.400 A 86 GLU CB C 13 28.172 0.400 A 86 GLU CG C 13 37.996 0.400 A 86 GLU N N 15 118.628 0.400 A 87 ASP H H 1 7.012 0.020 A 87 ASP HA H 1 4.467 0.020 A 87 ASP HBx H 1 2.902 0.020 A 87 ASP HBy H 1 2.902 0.020 A 87 ASP C C 13 176.525 0.400 A 87 ASP CA C 13 55.145 0.400 A 87 ASP CB C 13 41.612 0.400 A 87 ASP N N 15 115.935 0.400 A 88 GLY H H 1 9.021 0.020 A 88 GLY HAy H 1 4.089 0.020 A 88 GLY HAx H 1 3.790 0.020 A 88 GLY C C 13 176.525 0.400 A 88 GLY CA C 13 47.302 0.400 A 88 GLY N N 15 115.389 0.400 A 89 ALA H H 1 8.794 0.020 A 89 ALA HA H 1 4.286 0.020 A 89 ALA HB% H 1 1.345 0.020 A 89 ALA C C 13 178.529 0.400 A 89 ALA CA C 13 54.003 0.400 A 89 ALA CB C 13 17.868 0.400 A 89 ALA N N 15 124.107 0.400 A 90 TYR H H 1 8.184 0.020 A 90 TYR HA H 1 4.241 0.020 A 90 TYR HBx H 1 2.705 0.020 A 90 TYR HBy H 1 2.988 0.020 A 90 TYR HD1 H 1 6.340 0.020 A 90 TYR HD2 H 1 6.340 0.020 A 90 TYR HE1 H 1 6.557 0.020 A 90 TYR HE2 H 1 6.557 0.020 A 90 TYR C C 13 172.709 0.400 A 90 TYR CA C 13 57.844 0.400 A 90 TYR CB C 13 38.259 0.400 A 90 TYR CD1 C 13 132.260 0.400 A 90 TYR CE1 C 13 117.626 0.400 A 90 TYR N N 15 118.857 0.400 A 91 SER H H 1 6.922 0.020 A 91 SER HA H 1 4.708 0.020 A 91 SER HBx H 1 3.771 0.020 A 91 SER HBy H 1 4.271 0.020 A 91 SER C C 13 174.170 0.400 A 91 SER CA C 13 60.880 0.400 A 91 SER CB C 13 63.362 0.400 A 91 SER N N 15 112.847 0.400 A 92 VAL H H 1 9.067 0.020 A 92 VAL HA H 1 4.736 0.020 A 92 VAL HB H 1 2.323 0.020 A 92 VAL HG1% H 1 0.933 0.020 A 92 VAL HG2% H 1 0.956 0.020 A 92 VAL C C 13 175.334 0.400 A 92 VAL CA C 13 59.164 0.400 A 92 VAL CB C 13 35.800 0.400 A 92 VAL CG1 C 13 22.068 0.400 A 92 VAL CG2 C 13 18.805 0.400 A 92 VAL N N 15 117.413 0.400 A 93 ALA H H 1 8.294 0.020 A 93 ALA HA H 1 3.986 0.020 A 93 ALA HB% H 1 1.142 0.020 A 93 ALA C C 13 175.145 0.400 A 93 ALA CA C 13 52.679 0.400 A 93 ALA CB C 13 19.299 0.400 A 93 ALA N N 15 122.153 0.400 A 94 ALA H H 1 7.712 0.020 A 94 ALA HA H 1 5.021 0.020 A 94 ALA HB% H 1 1.223 0.020 A 94 ALA C C 13 176.174 0.400 A 94 ALA CA C 13 50.025 0.400 A 94 ALA CB C 13 21.845 0.400 A 94 ALA N N 15 120.772 0.400 A 95 TYR H H 1 8.063 0.020 A 95 TYR HA H 1 4.896 0.020 A 95 TYR HB2 H 1 2.371 0.020 A 95 TYR HB3 H 1 3.121 0.020 A 95 TYR HD1 H 1 6.817 0.020 A 95 TYR HD2 H 1 6.817 0.020 A 95 TYR HE1 H 1 6.496 0.020 A 95 TYR HE2 H 1 6.496 0.020 A 95 TYR C C 13 174.928 0.400 A 95 TYR CA C 13 56.331 0.400 A 95 TYR CB C 13 41.417 0.400 A 95 TYR CD1 C 13 132.769 0.400 A 95 TYR CE1 C 13 117.697 0.400 A 95 TYR N N 15 118.640 0.400 A 96 ASP H H 1 9.017 0.020 A 96 ASP HA H 1 5.001 0.020 A 96 ASP HB2 H 1 2.644 0.020 A 96 ASP HB3 H 1 2.904 0.020 A 96 ASP C C 13 175.713 0.400 A 96 ASP CA C 13 54.823 0.400 A 96 ASP CB C 13 41.533 0.400 A 96 ASP N N 15 123.338 0.400 A 97 THR H H 1 8.495 0.020 A 97 THR HA H 1 5.840 0.020 A 97 THR HB H 1 3.959 0.020 A 97 THR HG2% H 1 1.159 0.020 A 97 THR C C 13 174.522 0.400 A 97 THR CA C 13 59.219 0.400 A 97 THR CB C 13 73.302 0.400 A 97 THR CG2 C 13 23.154 0.400 A 97 THR N N 15 109.953 0.400 A 98 GLN H H 1 8.526 0.020 A 98 GLN HA H 1 4.482 0.020 A 98 GLN HBy H 1 1.506 0.020 A 98 GLN HBx H 1 1.362 0.020 A 98 GLN HE2y H 1 5.864 0.020 A 98 GLN HE2x H 1 5.555 0.020 A 98 GLN HGx H 1 0.865 0.020 A 98 GLN HGy H 1 1.283 0.020 A 98 GLN C C 13 172.763 0.400 A 98 GLN CA C 13 54.786 0.400 A 98 GLN CB C 13 30.296 0.400 A 98 GLN CG C 13 30.253 0.400 A 98 GLN N N 15 115.751 0.400 A 98 GLN NE2 N 15 107.547 0.400 A 99 VAL H H 1 8.447 0.020 A 99 VAL HA H 1 5.031 0.020 A 99 VAL HB H 1 1.911 0.020 A 99 VAL HG1% H 1 0.661 0.020 A 99 VAL HG2% H 1 0.916 0.020 A 99 VAL C C 13 176.119 0.400 A 99 VAL CA C 13 60.653 0.400 A 99 VAL CB C 13 32.912 0.400 A 99 VAL CG1 C 13 21.210 0.400 A 99 VAL CG2 C 13 22.165 0.400 A 99 VAL N N 15 121.974 0.400 A 100 THR H H 1 8.550 0.020 A 100 THR HA H 1 4.481 0.020 A 100 THR HB H 1 3.696 0.020 A 100 THR HG2% H 1 0.920 0.020 A 100 THR C C 13 174.306 0.400 A 100 THR CA C 13 59.291 0.400 A 100 THR CB C 13 70.210 0.400 A 100 THR CG2 C 13 20.748 0.400 A 100 THR N N 15 121.136 0.400 A 101 ASN H H 1 9.612 0.020 A 101 ASN HA H 1 4.312 0.020 A 101 ASN HBy H 1 2.996 0.020 A 101 ASN HBx H 1 2.708 0.020 A 101 ASN HD2y H 1 7.511 0.020 A 101 ASN HD2x H 1 6.868 0.020 A 101 ASN C C 13 174.739 0.400 A 101 ASN CA C 13 54.098 0.400 A 101 ASN CB C 13 37.482 0.400 A 101 ASN N N 15 127.506 0.400 A 101 ASN ND2 N 15 112.795 0.400 A 102 GLY H H 1 8.557 0.020 A 102 GLY HAy H 1 4.131 0.020 A 102 GLY HAx H 1 3.413 0.020 A 102 GLY C C 13 173.223 0.400 A 102 GLY CA C 13 45.383 0.400 A 102 GLY N N 15 101.637 0.400 A 103 ASN H H 1 8.294 0.020 A 103 ASN HA H 1 5.130 0.020 A 103 ASN HBy H 1 2.968 0.020 A 103 ASN HBx H 1 2.440 0.020 A 103 ASN HD2y H 1 7.445 0.020 A 103 ASN HD2x H 1 6.978 0.020 A 103 ASN C C 13 173.791 0.400 A 103 ASN CA C 13 52.508 0.400 A 103 ASN CB C 13 40.144 0.400 A 103 ASN N N 15 119.926 0.400 A 103 ASN ND2 N 15 114.909 0.400 A 104 VAL H H 1 9.145 0.020 A 104 VAL HA H 1 4.054 0.020 A 104 VAL HB H 1 2.263 0.020 A 104 VAL HG1% H 1 0.719 0.020 A 104 VAL HG2% H 1 0.747 0.020 A 104 VAL C C 13 174.820 0.400 A 104 VAL CA C 13 63.141 0.400 A 104 VAL CB C 13 31.398 0.400 A 104 VAL CG1 C 13 21.311 0.400 A 104 VAL CG2 C 13 21.527 0.400 A 104 VAL N N 15 122.707 0.400 A 105 GLN H H 1 9.294 0.020 A 105 GLN HA H 1 5.627 0.020 A 105 GLN HBy H 1 2.080 0.020 A 105 GLN HBx H 1 1.908 0.020 A 105 GLN HE2y H 1 7.181 0.020 A 105 GLN HE2x H 1 6.622 0.020 A 105 GLN HGx H 1 2.088 0.020 A 105 GLN HGy H 1 2.088 0.020 A 105 GLN C C 13 174.333 0.400 A 105 GLN CA C 13 53.448 0.400 A 105 GLN CB C 13 33.683 0.400 A 105 GLN CG C 13 34.078 0.400 A 105 GLN N N 15 126.004 0.400 A 105 GLN NE2 N 15 110.929 0.400 A 106 ILE H H 1 8.868 0.020 A 106 ILE HA H 1 5.449 0.020 A 106 ILE HB H 1 1.515 0.020 A 106 ILE HD1% H 1 0.452 0.020 A 106 ILE HG1x H 1 0.987 0.020 A 106 ILE HG1y H 1 1.336 0.020 A 106 ILE HG2% H 1 0.714 0.020 A 106 ILE C C 13 174.712 0.400 A 106 ILE CA C 13 58.337 0.400 A 106 ILE CB C 13 42.095 0.400 A 106 ILE CD1 C 13 14.357 0.400 A 106 ILE CG1 C 13 27.242 0.400 A 106 ILE CG2 C 13 17.427 0.400 A 106 ILE N N 15 117.279 0.400 A 107 SER H H 1 8.025 0.020 A 107 SER HA H 1 4.505 0.020 A 107 SER HBy H 1 3.050 0.020 A 107 SER HBx H 1 2.051 0.020 A 107 SER C C 13 174.170 0.400 A 107 SER CA C 13 55.970 0.400 A 107 SER CB C 13 62.746 0.400 A 107 SER N N 15 120.465 0.400 A 108 ILE H H 1 8.359 0.020 A 108 ILE HA H 1 4.406 0.020 A 108 ILE HB H 1 1.739 0.020 A 108 ILE HD1% H 1 0.534 0.020 A 108 ILE HG1y H 1 1.253 0.020 A 108 ILE HG1x H 1 1.004 0.020 A 108 ILE HG2% H 1 0.748 0.020 A 108 ILE C C 13 175.361 0.400 A 108 ILE CA C 13 59.743 0.400 A 108 ILE CB C 13 38.997 0.400 A 108 ILE CD1 C 13 12.623 0.400 A 108 ILE CG1 C 13 26.855 0.400 A 108 ILE CG2 C 13 17.206 0.400 A 108 ILE N N 15 125.894 0.400 A 109 ALA H H 1 8.330 0.020 A 109 ALA HA H 1 4.232 0.020 A 109 ALA HB% H 1 1.335 0.020 A 109 ALA C C 13 177.338 0.400 A 109 ALA CA C 13 52.253 0.400 A 109 ALA CB C 13 19.421 0.400 A 109 ALA N N 15 127.544 0.400 A 110 ASP H H 1 8.369 0.020 A 110 ASP HA H 1 4.524 0.020 A 110 ASP HBy H 1 2.677 0.020 A 110 ASP HBx H 1 2.563 0.020 A 110 ASP C C 13 176.363 0.400 A 110 ASP CA C 13 54.394 0.400 A 110 ASP CB C 13 41.033 0.400 A 110 ASP N N 15 120.138 0.400 A 111 SER H H 1 8.286 0.020 A 111 SER HA H 1 4.383 0.020 A 111 SER HBx H 1 3.794 0.020 A 111 SER HBy H 1 3.860 0.020 A 111 SER C C 13 174.279 0.400 A 111 SER CA C 13 58.471 0.400 A 111 SER CB C 13 63.865 0.400 A 111 SER N N 15 115.729 0.400 A 112 ASP H H 1 8.445 0.020 A 112 ASP HA H 1 4.625 0.020 A 112 ASP HBx H 1 2.630 0.020 A 112 ASP HBy H 1 2.706 0.020 A 112 ASP C C 13 176.011 0.400 A 112 ASP CA C 13 54.292 0.400 A 112 ASP CB C 13 41.029 0.400 A 112 ASP N N 15 122.432 0.400 A 113 VAL H H 1 7.887 0.020 A 113 VAL HA H 1 4.072 0.020 A 113 VAL HB H 1 2.052 0.020 A 113 VAL HGx% H 1 0.896 0.020 A 113 VAL HGy% H 1 0.896 0.020 A 113 VAL C C 13 175.713 0.400 A 113 VAL CA C 13 62.009 0.400 A 113 VAL CB C 13 32.662 0.400 A 113 VAL CG1 C 13 20.287 0.400 A 113 VAL N N 15 119.509 0.400 A 114 ALA H H 1 8.344 0.020 A 114 ALA HA H 1 4.338 0.020 A 114 ALA HB% H 1 1.356 0.020 A 114 ALA C C 13 177.608 0.400 A 114 ALA CA C 13 52.254 0.400 A 114 ALA CB C 13 19.201 0.400 A 114 ALA N N 15 127.788 0.400 A 115 VAL H H 1 8.097 0.020 A 115 VAL HA H 1 4.063 0.020 A 115 VAL HB H 1 2.047 0.020 A 115 VAL HGx% H 1 0.907 0.020 A 115 VAL HGy% H 1 0.907 0.020 A 115 VAL C C 13 175.713 0.400 A 115 VAL CA C 13 62.078 0.400 A 115 VAL CB C 13 32.777 0.400 A 115 VAL CG1 C 13 20.485 0.400 A 115 VAL N N 15 119.452 0.400 A 116 ASP H H 1 8.386 0.020 A 116 ASP HA H 1 4.613 0.020 A 116 ASP HBy H 1 2.733 0.020 A 116 ASP HBx H 1 2.630 0.020 A 116 ASP C C 13 176.038 0.400 A 116 ASP CA C 13 53.964 0.400 A 116 ASP CB C 13 41.089 0.400 A 116 ASP N N 15 123.553 0.400 A 117 ASN H H 1 8.485 0.020 A 117 ASN HA H 1 4.732 0.020 A 117 ASN HBx H 1 2.767 0.020 A 117 ASN HBy H 1 2.855 0.020 A 117 ASN HD2y H 1 7.594 0.020 A 117 ASN HD2x H 1 6.866 0.020 A 117 ASN C C 13 175.361 0.400 A 117 ASN CA C 13 53.537 0.400 A 117 ASN CB C 13 38.622 0.400 A 117 ASN N N 15 120.740 0.400 A 117 ASN ND2 N 15 112.476 0.400 A 118 SER H H 1 8.391 0.020 A 118 SER HA H 1 4.364 0.020 A 118 SER HBx H 1 3.870 0.020 A 118 SER HBy H 1 3.870 0.020 A 118 SER C C 13 174.170 0.400 A 118 SER CA C 13 58.862 0.400 A 118 SER CB C 13 63.756 0.400 A 118 SER N N 15 115.890 0.400 A 119 GLN H H 1 8.099 0.020 A 119 GLN HA H 1 4.627 0.020 A 119 GLN HBx H 1 1.905 0.020 A 119 GLN HBy H 1 2.081 0.020 A 119 GLN HE2y H 1 7.555 0.020 A 119 GLN HE2x H 1 6.866 0.020 A 119 GLN HGx H 1 2.354 0.020 A 119 GLN HGy H 1 2.354 0.020 A 119 GLN CA C 13 53.415 0.400 A 119 GLN CB C 13 28.844 0.400 A 119 GLN CG C 13 33.472 0.400 A 119 GLN N N 15 122.184 0.400 A 119 GLN NE2 N 15 112.674 0.400 A 120 PRO HA H 1 4.400 0.020 A 120 PRO HBy H 1 2.234 0.020 A 120 PRO HBx H 1 1.859 0.020 A 120 PRO HDy H 1 3.741 0.020 A 120 PRO HDx H 1 3.615 0.020 A 120 PRO HGx H 1 1.993 0.020 A 120 PRO HGy H 1 1.993 0.020 A 120 PRO C C 13 176.552 0.400 A 120 PRO CA C 13 62.902 0.400 A 120 PRO CB C 13 31.894 0.400 A 120 PRO CD C 13 50.451 0.400 A 120 PRO CG C 13 27.252 0.400 A 121 LEU H H 1 8.331 0.020 A 121 LEU HA H 1 4.570 0.020 A 121 LEU HBx H 1 1.498 0.020 A 121 LEU HBy H 1 1.564 0.020 A 121 LEU HD1% H 1 0.897 0.020 A 121 LEU HD2% H 1 0.890 0.020 A 121 LEU HG H 1 1.679 0.020 A 121 LEU CA C 13 52.920 0.400 A 121 LEU CB C 13 41.717 0.400 A 121 LEU CD1 C 13 25.117 0.400 A 121 LEU CD2 C 13 23.361 0.400 A 121 LEU CG C 13 26.892 0.400 A 121 LEU N N 15 123.515 0.400 A 122 PRO HA H 1 4.394 0.020 A 122 PRO HBy H 1 2.234 0.020 A 122 PRO HBx H 1 1.859 0.020 A 122 PRO HDy H 1 3.820 0.020 A 122 PRO HDx H 1 3.605 0.020 A 122 PRO HGx H 1 1.994 0.020 A 122 PRO HGy H 1 1.994 0.020 A 122 PRO C C 13 176.796 0.400 A 122 PRO CA C 13 62.999 0.400 A 122 PRO CB C 13 31.924 0.400 A 122 PRO CD C 13 50.440 0.400 A 122 PRO CG C 13 27.399 0.400 A 123 LEU H H 1 8.275 0.020 A 123 LEU HA H 1 4.222 0.020 A 123 LEU HBy H 1 1.569 0.020 A 123 LEU HBx H 1 1.476 0.020 A 123 LEU HD1% H 1 0.875 0.020 A 123 LEU HD2% H 1 0.823 0.020 A 123 LEU HG H 1 1.590 0.020 A 123 LEU C C 13 177.419 0.400 A 123 LEU CA C 13 55.314 0.400 A 123 LEU CB C 13 42.150 0.400 A 123 LEU CD1 C 13 24.856 0.400 A 123 LEU CD2 C 13 23.494 0.400 A 123 LEU CG C 13 26.952 0.400 A 123 LEU N N 15 122.076 0.400 A 124 GLU H H 1 8.318 0.020 A 124 GLU HA H 1 4.194 0.020 A 124 GLU HBx H 1 1.874 0.020 A 124 GLU HBy H 1 1.874 0.020 A 124 GLU HGy H 1 2.163 0.020 A 124 GLU HGx H 1 2.127 0.020 A 124 GLU C C 13 176.119 0.400 A 124 GLU CA C 13 56.266 0.400 A 124 GLU CB C 13 30.146 0.400 A 124 GLU CG C 13 36.106 0.400 A 124 GLU N N 15 120.675 0.400 A 125 HIS H H 1 8.393 0.020 A 125 HIS CA C 13 55.412 0.400 A 125 HIS CB C 13 29.694 0.400 A 125 HIS N N 15 119.515 0.400 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 11 ASP H A 11 ASP HBy 1.0 . 3.79 2 2 A 11 ASP H A 10 LEU HB2 1.0 . 4.23 3 3 A 61 GLU HA A 62 HIS H 1.0 . 3.05 4 4 A 115 VAL HA A 116 ASP H 1.0 . 2.93 5 5 A 116 ASP H A 115 VAL HB 1.0 . 4.14 6 6 A 43 SER HA A 44 ASN H 1.0 . 2.99 7 7 A 83 PHE HA A 84 CYS H 1.0 . 3.52 8 8 A 110 ASP H A 110 ASP HBx 1.0 . 3.92 9 9 A 110 ASP H A 110 ASP HBy 1.0 . 3.92 10 10 A 110 ASP H A 109 ALA HA 1.0 . 2.87 11 11 A 95 TYR H A 95 TYR HB2 1.0 . 3.86 12 12 A 95 TYR H A 94 ALA HA 1.0 . 3.27 13 13 A 10 LEU HB2 A 10 LEU H 1.0 . 3.42 14 14 A 10 LEU H A 9 LYS HB3 1.0 . 3.79 15 15 A 10 LEU H A 9 LYS HA 1.0 . 3.11 16 16 A 26 GLN H A 26 GLN HBx 1.0 . 3.61 17 17 A 115 VAL HB A 115 VAL H 1.0 . 3.67 18 18 A 100 THR HA A 101 ASN H 1.0 . 3.39 19 19 A 18 GLY HAy A 19 VAL H 1.0 . 3.55 20 20 A 19 VAL H A 18 GLY HAx 1.0 . 3.55 21 21 A 8 CYS HBy A 9 LYS H 1.0 . 3.73 22 22 A 9 LYS H A 8 CYS HBx 1.0 . 3.73 23 23 A 9 LYS H A 9 LYS HB2 1.0 . 3.33 24 24 A 35 ASN HA A 36 ASP H 1.0 . 3.27 25 25 A 33 PRO HBx A 34 ARG H 1.0 . 4.20 26 26 A 87 ASP HA A 88 GLY H 1.0 . 3.21 27 27 A 78 ARG H A 78 ARG HBy 1.0 . 4.07 28 28 A 78 ARG H A 77 PHE HA 1.0 . 3.42 29 29 A 98 GLN HBx A 99 VAL H 1.0 . 3.89 30 30 A 99 VAL H A 98 GLN HBy 1.0 . 3.89 31 31 A 99 VAL H A 98 GLN HA 1.0 . 2.96 32 32 A 99 VAL H A 99 VAL HB 1.0 . 3.24 33 33 A 103 ASN HA A 104 VAL H 1.0 . 3.08 34 34 A 95 TYR HA A 96 ASP H 1.0 . 3.05 35 35 A 95 TYR HB2 A 96 ASP H 1.0 . 4.51 36 36 A 96 ASP H A 95 TYR HB3 1.0 . 4.14 37 37 A 69 ALA HA A 70 SER H 1.0 . 3.21 38 38 A 23 VAL H A 23 VAL HB 1.0 . 3.73 39 39 A 23 VAL H A 22 LEU HA 1.0 . 2.93 40 40 A 78 ARG HA A 79 LEU H 1.0 . 3.39 41 41 A 97 THR HA A 98 GLN H 1.0 . 3.21 42 42 A 43 SER H A 43 SER HBx 1.0 . 3.89 43 43 A 85 LEU H A 85 LEU HBx 1.0 . 3.76 44 44 A 99 VAL HA A 100 THR H 1.0 . 2.83 45 45 A 100 THR H A 100 THR HB 1.0 . 3.79 46 46 A 90 TYR H A 90 TYR HBy 1.0 . 3.89 47 47 A 39 VAL HB A 40 TYR H 1.0 . 3.42 48 48 A 40 TYR H A 40 TYR HB2 1.0 . 4.01 49 49 A 108 ILE HA A 109 ALA H 1.0 . 3.17 50 50 A 27 GLN HA A 28 ILE H 1.0 . 3.08 51 51 A 105 GLN HA A 106 ILE H 1.0 . 3.17 52 52 A 30 VAL HA A 31 PHE H 1.0 . 3.08 53 53 A 76 HIS HA A 77 PHE H 1.0 . 3.11 54 54 A 77 PHE H A 77 PHE HB2 1.0 . 3.89 55 55 A 113 VAL HB A 114 ALA H 1.0 . 4.04 56 56 A 114 ALA H A 113 VAL HA 1.0 . 2.96 57 57 A 28 ILE HB A 29 ALA H 1.0 . 4.54 58 58 A 31 PHE HA A 32 ARG H 1.0 . 3.05 59 59 A 32 ARG H A 31 PHE HB3 1.0 . 4.35 60 60 A 63 GLN HBy A 64 ASP H 1.0 . 4.45 61 61 A 64 ASP H A 63 GLN HBx 1.0 . 4.45 62 62 A 19 VAL HA A 20 CYS H 1.0 . 2.96 63 63 A 40 TYR HA A 41 ALA H 1.0 . 2.99 64 64 A 41 ALA H A 40 TYR HB3 1.0 . 4.17 65 65 A 111 SER HBy A 112 ASP H 1.0 . 4.45 66 66 A 7 VAL H A 7 VAL HB 1.0 . 3.79 67 67 A 17 THR HB A 18 GLY H 1.0 . 2.93 68 68 A 41 ALA HA A 42 ILE H 1.0 . 2.99 69 69 A 108 ILE H A 108 ILE HB 1.0 . 3.67 70 70 A 60 ALA HA A 61 GLU H 1.0 . 2.99 71 71 A 61 GLU H A 61 GLU HBx 1.0 . 3.42 72 72 A 120 PRO HA A 121 LEU H 1.0 . 3.02 73 73 A 56 ARG H A 56 ARG HBx 1.0 . 3.86 74 74 A 96 ASP HB3 A 97 THR H 1.0 . 3.92 75 75 A 97 THR H A 96 ASP HB2 1.0 . 4.48 76 76 A 38 GLN HA A 39 VAL H 1.0 . 2.80 77 77 A 45 ILE HA A 46 ASP H 1.0 . 3.17 78 78 A 67 TRP HA A 68 VAL H 1.0 . 3.48 79 79 A 5 THR HA A 6 THR H 1.0 . 3.11 80 80 A 59 VAL HA A 60 ALA H 1.0 . 2.90 81 81 A 30 VAL H A 30 VAL HB 1.0 . 3.42 82 82 A 30 VAL H A 29 ALA HA 1.0 . 3.08 83 83 A 106 ILE HA A 107 SER H 1.0 . 3.17 84 84 A 107 SER H A 107 SER HBy 1.0 . 4.07 85 85 A 113 VAL HB A 113 VAL H 1.0 . 3.36 86 86 A 113 VAL H A 112 ASP HA 1.0 . 3.24 87 87 A 12 ASP H A 12 ASP HBx 1.0 . 3.67 88 88 A 66 LEU HB3 A 67 TRP H 1.0 . 4.17 89 89 A 116 ASP HA A 117 ASN H 1.0 . 3.24 90 90 A 24 GLU HA A 25 GLN H 1.0 . 3.55 91 91 A 25 GLN H A 24 GLU HBx 1.0 . 3.76 92 92 A 37 GLU H A 37 GLU HBx 1.0 . 3.55 93 93 A 37 GLU H A 36 ASP HBx 1.0 . 3.58 94 94 A 59 VAL H A 59 VAL HB 1.0 . 3.24 95 95 A 83 PHE H A 83 PHE HBy 1.0 . 3.67 96 96 A 83 PHE H A 83 PHE HBx 1.0 . 3.67 97 97 A 122 PRO HA A 123 LEU H 1.0 . 2.99 98 98 A 65 ASP HA A 66 LEU H 1.0 . 3.21 99 99 A 66 LEU HB3 A 66 LEU H 1.0 . 4.01 100 100 A 13 ILE H A 13 ILE HB 1.0 . 3.39 101 101 A 110 ASP HBx A 111 SER H 1.0 . 4.07 102 102 A 110 ASP HBy A 111 SER H 1.0 . 4.07 103 103 A 111 SER H A 110 ASP HA 1.0 . 3.17 104 104 A 5 THR H A 107 SER HA 1.0 . 4.29 105 105 A 105 GLN HA A 7 VAL H 1.0 . 3.86 106 106 A 7 VAL H A 8 CYS H 1.0 . 3.39 107 107 A 10 LEU H A 103 ASN HA 1.0 . 3.83 108 108 A 10 LEU H A 104 VAL H 1.0 . 4.23 109 109 A 11 ASP H A 9 LYS HB3 1.0 . 3.67 110 110 A 11 ASP H A 10 LEU H 1.0 . 3.58 111 111 A 12 ASP H A 13 ILE H 1.0 . 3.24 112 112 A 11 ASP H A 12 ASP H 1.0 . 3.55 113 113 A 11 ASP H A 13 ILE H 1.0 . 3.70 114 114 A 15 PRO HA A 17 THR H 1.0 . 4.11 115 115 A 17 THR H A 32 ARG HA 1.0 . 4.63 116 116 A 17 THR H A 16 GLY H 1.0 . 3.36 117 117 A 18 GLY H A 17 THR H 1.0 . 4.51 118 118 A 19 VAL H A 18 GLY H 1.0 . 4.54 119 119 A 20 CYS H A 51 ALA HA 1.0 . 4.04 120 120 A 29 ALA HA A 21 ALA H 1.0 . 4.51 121 121 A 23 VAL H A 27 GLN HA 1.0 . 4.66 122 122 A 25 GLN H A 24 GLU H 1.0 . 4.35 123 123 A 22 LEU HA A 28 ILE H 1.0 . 4.38 124 124 A 28 ILE H A 21 ALA H 1.0 . 4.01 125 125 A 19 VAL HA A 30 VAL H 1.0 . 4.26 126 126 A 30 VAL H A 20 CYS HA 1.0 . 3.86 127 127 A 31 PHE H A 41 ALA HA 1.0 . 4.66 128 128 A 34 ARG H A 33 PRO HBy 1.0 . 4.20 129 129 A 36 ASP H A 35 ASN H 1.0 . 3.83 130 130 A 37 GLU H A 37 GLU HBy 1.0 . 3.55 131 131 A 37 GLU H A 38 GLN H 1.0 . 3.27 132 132 A 40 TYR H A 41 ALA HA 1.0 . 4.63 133 133 A 40 TYR H A 41 ALA H 1.0 . 3.98 134 134 A 40 TYR H A 31 PHE H 1.0 . 3.92 135 135 A 30 VAL HA A 41 ALA H 1.0 . 4.26 136 136 A 29 ALA H A 42 ILE H 1.0 . 3.89 137 137 A 30 VAL HA A 42 ILE H 1.0 . 4.51 138 138 A 94 ALA HA A 43 SER H 1.0 . 4.57 139 139 A 44 ASN H A 29 ALA H 1.0 . 4.26 140 140 A 46 ASP H A 52 SER HA 1.0 . 4.32 141 141 A 48 PHE H A 49 ALA H 1.0 . 3.42 142 142 A 47 PRO HA A 50 GLN H 1.0 . 4.01 143 143 A 50 GLN H A 51 ALA H 1.0 . 3.48 144 144 A 49 ALA H A 50 GLN H 1.0 . 3.24 145 145 A 53 VAL H A 54 LEU H 1.0 . 3.21 146 146 A 54 LEU H A 55 SER H 1.0 . 3.98 147 147 A 53 VAL H A 55 SER H 1.0 . 4.32 148 148 A 55 SER H A 57 GLY H 1.0 . 4.66 149 149 A 56 ARG H A 55 SER H 1.0 . 3.92 150 150 A 56 ARG H A 57 GLY H 1.0 . 3.36 151 151 A 60 ALA H A 67 TRP H 1.0 . 3.89 152 152 A 62 HIS H A 66 LEU HA 1.0 . 4.35 153 153 A 62 HIS H A 65 ASP H 1.0 . 3.76 154 154 A 64 ASP H A 63 GLN H 1.0 . 4.29 155 155 A 64 ASP H A 65 ASP H 1.0 . 3.61 156 156 A 72 LEU H A 73 LYS H 1.0 . 4.20 157 157 A 75 GLN H A 74 LYS H 1.0 . 4.11 158 158 A 73 LYS H A 74 LYS H 1.0 . 3.79 159 159 A 78 ARG H A 78 ARG HBx 1.0 . 4.07 160 160 A 79 LEU H A 67 TRP HA 1.0 . 3.83 161 161 A 80 TYR H A 81 ASP H 1.0 . 4.01 162 162 A 81 ASP H A 82 GLY H 1.0 . 3.17 163 163 A 83 PHE H A 81 ASP H 1.0 . 4.63 164 164 A 83 PHE H A 82 GLY H 1.0 . 3.76 165 165 A 76 HIS H A 86 GLU H 1.0 . 4.69 166 166 A 87 ASP H A 88 GLY H 1.0 . 4.63 167 167 A 88 GLY H A 89 ALA H 1.0 . 3.89 168 168 A 90 TYR H A 89 ALA H 1.0 . 3.58 169 169 A 90 TYR H A 91 SER H 1.0 . 3.67 170 170 A 95 TYR H A 94 ALA H 1.0 . 3.92 171 171 A 95 TYR H A 42 ILE HA 1.0 . 3.92 172 172 A 98 GLN H A 106 ILE HA 1.0 . 4.60 173 173 A 100 THR H A 104 VAL HA 1.0 . 4.29 174 174 A 101 ASN H A 99 VAL HA 1.0 . 4.69 175 175 A 101 ASN H A 102 GLY H 1.0 . 4.14 176 176 A 102 GLY H A 103 ASN H 1.0 . 3.17 177 177 A 104 VAL H A 103 ASN H 1.0 . 4.57 178 178 A 9 LYS HA A 104 VAL H 1.0 . 3.89 179 179 A 104 VAL H A 8 CYS H 1.0 . 3.70 180 180 A 98 GLN H A 105 GLN H 1.0 . 3.73 181 181 A 106 ILE H A 6 THR HA 1.0 . 4.38 182 182 A 97 THR HA A 106 ILE H 1.0 . 4.51 183 183 A 106 ILE H A 5 THR H 1.0 . 3.73 184 184 A 106 ILE H A 107 SER H 1.0 . 4.63 185 185 A 108 ILE H A 107 SER HA 1.0 . 3.08 186 186 A 108 ILE H A 4 TRP HA 1.0 . 4.11 187 187 A 109 ALA H A 108 ILE HB 1.0 . 4.72 188 188 A 112 ASP H A 113 VAL H 1.0 . 3.98 189 189 A 119 GLN H A 118 SER H 1.0 . 3.58 190 190 A 12 ASP H A 10 LEU HA 1.0 . 4.54 191 191 A 57 GLY H A 58 ILE H 1.0 . 4.26 192 192 A 60 ALA H A 59 VAL H 1.0 . 4.14 193 193 A 97 THR HA A 107 SER H 1.0 . 4.57 194 194 A 52 SER HA A 54 LEU H 1.0 . 4.07 195 195 A 58 ILE H A 58 ILE HB 1.0 . 3.21 196 196 A 67 TRP H A 66 LEU HA 1.0 . 3.08 197 197 A 85 LEU H A 86 GLU H 1.0 . 4.23 198 198 A 87 ASP H A 86 GLU H 1.0 . 3.61 199 199 A 58 ILE H A 69 ALA H 1.0 . 4.26 200 200 A 112 ASP H A 111 SER H 1.0 . 3.42 201 201 A 45 ILE H A 45 ILE HG1x 1.0 . 4.17 202 202 A 58 ILE H A 58 ILE HG1y 1.0 . 4.20 203 203 A 54 LEU H A 54 LEU HG 1.0 . 3.58 204 204 A 14 LEU H A 14 LEU HG 1.0 . 3.36 205 205 A 28 ILE H A 28 ILE HG1x 1.0 . 4.45 206 206 A 63 GLN H A 63 GLN HGx 1.0 . 5.07 207 207 A 37 GLU H A 37 GLU HGx 1.0 . 4.97 208 208 A 5 THR H A 4 TRP HE3 1.0 . 5.31 209 209 A 10 LEU H A 10 LEU HG 1.0 . 5.13 210 210 A 17 THR H A 17 THR HG1 1.0 . 3.70 211 211 A 19 VAL H A 30 VAL HB 1.0 . 4.60 212 212 A 36 ASP H A 32 ARG HE 1.0 . 3.89 213 213 A 43 SER H A 92 VAL HB 1.0 . 5.04 214 214 A 62 HIS H A 67 TRP HE1 1.0 . 4.20 215 215 A 63 GLN H A 63 GLN HGy 1.0 . 5.07 216 216 A 65 ASP H A 67 TRP HE1 1.0 . 4.29 217 217 A 67 TRP HE1 A 65 ASP HBx 1.0 . 4.91 218 218 A 78 ARG H A 67 TRP HE3 1.0 . 3.89 219 219 A 85 LEU H A 67 TRP HE3 1.0 . 3.92 220 220 A 98 GLN H A 4 TRP HZ3 1.0 . 4.20 221 221 A 104 VAL H A 7 VAL HB 1.0 . 4.54 222 222 A 106 ILE H A 4 TRP HE3 1.0 . 5.34 223 223 A 107 SER H A 4 TRP HZ3 1.0 . 4.45 224 224 A 14 LEU H A 17 THR HG1 1.0 . 5.04 225 225 A 22 LEU H A 22 LEU HD1% 1.0 . 5.68 226 226 A 45 ILE H A 45 ILE HD1% 1.0 . 5.50 227 227 A 110 ASP H A 109 ALA HB% 1.0 . 4.50 228 228 A 95 TYR H A 94 ALA HB% 1.0 . 4.72 229 229 A 10 LEU H A 104 VAL HG2% 1.0 . 4.81 230 230 A 115 VAL H A 114 ALA HB% 1.0 . 5.37 231 231 A 5 THR H A 5 THR HG2% 1.0 . 6.05 232 232 A 19 VAL H A 19 VAL HG1% 1.0 . 5.28 233 233 A 99 VAL H A 99 VAL HG1% 1.0 . 5.68 234 234 A 85 LEU H A 85 LEU HD2% 1.0 . 6.52 235 235 A 90 TYR H A 89 ALA HB% 1.0 . 5.12 236 236 A 50 GLN H A 49 ALA HB% 1.0 . 5.19 237 237 A 42 ILE H A 42 ILE HD1% 1.0 . 6.40 238 238 A 97 THR H A 97 THR HG2% 1.0 . 5.53 239 239 A 68 VAL H A 68 VAL HG1% 1.0 . 4.50 240 240 A 68 VAL H A 68 VAL HG2% 1.0 . 6.05 241 241 A 6 THR H A 5 THR HG2% 1.0 . 4.91 242 242 A 7 VAL H A 6 THR HG2% 1.0 . 5.12 243 243 A 7 VAL H A 7 VAL HG2% 1.0 . 4.47 244 244 A 8 CYS H A 6 THR HG2% 1.0 . 4.66 245 245 A 13 ILE H A 13 ILE HG2% 1.0 . 5.00 246 246 A 14 LEU H A 13 ILE HG2% 1.0 . 4.78 247 247 A 14 LEU H A 17 THR HG2% 1.0 . 5.90 248 248 A 17 THR H A 13 ILE HG2% 1.0 . 6.15 249 249 A 18 GLY H A 17 THR HG2% 1.0 . 5.28 250 250 A 21 ALA H A 30 VAL HG2% 1.0 . 5.50 251 251 A 26 GLN H A 22 LEU HD1% 1.0 . 6.27 252 252 A 29 ALA H A 28 ILE HG2% 1.0 . 4.94 253 253 A 30 VAL H A 19 VAL HG1% 1.0 . 5.84 254 254 A 31 PHE H A 30 VAL HG1% 1.0 . 4.60 255 255 A 31 PHE H A 41 ALA HB% 1.0 . 6.30 256 256 A 32 ARG HE A 10 LEU HD1% 1.0 . 5.68 257 257 A 41 ALA H A 97 THR HG2% 1.0 . 5.09 258 258 A 42 ILE H A 28 ILE HG2% 1.0 . 5.96 259 259 A 42 ILE H A 41 ALA HB% 1.0 . 4.78 260 260 A 46 ASP H A 45 ILE HG2% 1.0 . 5.34 261 261 A 48 PHE H A 49 ALA HB% 1.0 . 6.15 262 262 A 50 GLN H A 45 ILE HG2% 1.0 . 6.02 263 263 A 55 SER H A 29 ALA HB% 1.0 . 5.34 264 264 A 57 GLY H A 68 VAL HG2% 1.0 . 5.19 265 265 A 60 ALA H A 59 VAL HG1% 1.0 . 4.50 266 266 A 62 HIS H A 66 LEU HD2% 1.0 . 6.52 267 267 A 66 LEU H A 66 LEU HD1% 1.0 . 5.46 268 268 A 67 TRP H A 66 LEU HD2% 1.0 . 4.97 269 269 A 68 VAL H A 79 LEU HD2% 1.0 . 5.93 270 270 A 69 ALA H A 68 VAL HG1% 1.0 . 5.74 271 271 A 73 LYS H A 72 LEU HD1% 1.0 . 5.71 272 272 A 82 GLY H A 42 ILE HG2% 1.0 . 5.37 273 273 A 88 GLY H A 89 ALA HB% 1.0 . 6.33 274 274 A 92 VAL H A 92 VAL HG2% 1.0 . 4.22 275 275 A 92 VAL HG2% A 93 ALA H 1.0 . 5.06 276 276 A 98 GLN H A 97 THR HG2% 1.0 . 5.74 277 277 A 100 THR H A 99 VAL HG1% 1.0 . 4.57 278 278 A 101 ASN H A 100 THR HG2% 1.0 . 6.52 279 279 A 100 THR HG2% A 101 ASN HD2y 1.0 . 6.33 280 280 A 102 GLY H A 99 VAL HG1% 1.0 . 5.74 281 281 A 103 ASN H A 100 THR HG2% 1.0 . 6.52 282 282 A 104 VAL H A 6 THR HG2% 1.0 . 5.25 283 283 A 105 GLN H A 99 VAL HG2% 1.0 . 5.56 284 284 A 106 ILE H A 106 ILE HG2% 1.0 . 5.06 285 285 A 106 ILE H A 5 THR HG2% 1.0 . 6.43 286 286 A 108 ILE H A 108 ILE HG2% 1.0 . 6.12 287 287 A 109 ALA H A 108 ILE HD1% 1.0 . 6.52 288 288 A 109 ALA H A 108 ILE HG2% 1.0 . 5.77 289 289 A 23 VAL H A 23 VAL HG1% 1.0 . 5.74 290 290 A 86 GLU H A 85 LEU HD2% 1.0 . 6.52 291 291 A 41 ALA H A 42 ILE HG2% 1.0 . 6.02 292 292 A 100 THR HG2% A 101 ASN HD2x 1.0 . 6.33 293 293 A 59 VAL H A 58 ILE HA 1.0 . 2.87 294 294 A 111 SER HBy A 111 SER H 1.0 . 3.98 295 295 A 73 LYS H A 72 LEU HB2 1.0 . 3.76 296 296 A 4 TRP H A 4 TRP HBx 1.0 . 4.07 297 297 A 43 SER H A 42 ILE HA 1.0 . 3.48 298 298 A 72 LEU H A 72 LEU HB3 1.0 . 4.17 299 299 A 52 SER HA A 53 VAL H 1.0 . 3.24 300 300 A 94 ALA HA A 42 ILE HA 1.0 . 3.30 301 301 A 73 LYS H A 73 LYS HBy 1.0 . 3.86 302 302 A 94 ALA H A 93 ALA HA 1.0 . 2.87 303 303 A 104 VAL H A 104 VAL HB 1.0 . 3.33 304 304 A 25 GLN H A 24 GLU HBy 1.0 . 3.76 305 305 A 43 SER H A 43 SER HBy 1.0 . 3.89 306 306 A 19 VAL H A 19 VAL HB 1.0 . 4.14 307 307 A 69 ALA H A 68 VAL HA 1.0 . 3.17 308 308 A 112 ASP H A 111 SER HBx 1.0 . 4.45 309 309 A 40 TYR H A 39 VAL HA 1.0 . 3.11 310 310 A 10 LEU H A 10 LEU HB3 1.0 . 3.61 311 311 A 107 SER H A 107 SER HBx 1.0 . 4.07 312 312 A 93 ALA H A 92 VAL HA 1.0 . 3.08 313 313 A 21 ALA H A 20 CYS HA 1.0 . 3.05 314 314 A 31 PHE H A 31 PHE HB2 1.0 . 3.83 315 315 A 45 ILE HA A 52 SER HA 1.0 . 3.52 316 316 A 81 ASP H A 80 TYR HB2 1.0 . 4.48 317 317 A 17 THR HB A 17 THR HA 1.0 . 3.02 318 318 A 61 GLU H A 61 GLU HBy 1.0 . 3.42 319 319 A 45 ILE HA A 53 VAL H 1.0 . 3.95 320 320 A 105 GLN HA A 6 THR HA 1.0 . 3.45 321 321 A 7 VAL H A 6 THR HA 1.0 . 3.14 322 322 A 78 ARG HA A 67 TRP HA 1.0 . 3.61 323 323 A 38 GLN H A 38 GLN HBy 1.0 . 3.76 324 324 A 68 VAL H A 68 VAL HB 1.0 . 4.17 325 325 A 38 GLN H A 38 GLN HBx 1.0 . 3.76 326 326 A 45 ILE H A 45 ILE HB 1.0 . 3.30 327 327 A 97 THR H A 96 ASP HA 1.0 . 2.96 328 328 A 54 LEU H A 54 LEU HB2 1.0 . 3.70 329 329 A 28 ILE H A 28 ILE HB 1.0 . 3.58 330 330 A 11 ASP H A 11 ASP HBx 1.0 . 3.79 331 331 A 85 LEU H A 85 LEU HBy 1.0 . 3.76 332 332 A 35 ASN H A 35 ASN HBx 1.0 . 3.76 333 333 A 115 VAL H A 114 ALA HA 1.0 . 2.99 334 334 A 70 SER H A 74 LYS HA 1.0 . 4.54 335 335 A 99 VAL HA A 104 VAL HA 1.0 . 3.64 336 336 A 26 GLN HA A 27 GLN H 1.0 . 2.90 337 337 A 6 THR H A 6 THR HB 1.0 . 3.30 338 338 A 20 CYS H A 19 VAL HB 1.0 . 3.11 339 339 A 49 ALA H A 50 GLN HA 1.0 . 3.98 340 340 A 49 ALA H A 48 PHE HBx 1.0 . 4.32 341 341 A 77 PHE HA A 84 CYS HA 1.0 . 3.76 342 342 A 49 ALA H A 48 PHE HBy 1.0 . 4.32 343 343 A 7 VAL HB A 8 CYS H 1.0 . 3.39 344 344 A 4 TRP H A 4 TRP HBy 1.0 . 4.07 345 345 A 22 LEU H A 22 LEU HBx 1.0 . 3.64 346 346 A 90 TYR H A 90 TYR HBx 1.0 . 3.89 347 347 A 20 CYS H A 20 CYS HBy 1.0 . 3.79 348 348 A 106 ILE H A 106 ILE HB 1.0 . 3.92 349 349 A 107 SER H A 106 ILE HB 1.0 . 4.17 350 350 A 14 LEU H A 13 ILE HA 1.0 . 2.87 351 351 A 46 ASP H A 46 ASP HBx 1.0 . 3.89 352 352 A 9 LYS HA A 103 ASN HA 1.0 . 3.17 353 353 A 13 ILE H A 11 ASP HA 1.0 . 4.38 354 354 A 22 LEU H A 22 LEU HBy 1.0 . 3.64 355 355 A 59 VAL HB A 58 ILE HA 1.0 . 4.45 356 356 A 46 ASP H A 46 ASP HBy 1.0 . 3.89 357 357 A 92 VAL HB A 93 ALA H 1.0 . 3.30 358 358 A 14 LEU H A 14 LEU HBx 1.0 . 3.52 359 359 A 111 SER H A 111 SER HBx 1.0 . 3.98 360 360 A 11 ASP H A 10 LEU HB3 1.0 . 3.79 361 361 A 37 GLU H A 36 ASP HBy 1.0 . 3.58 362 362 A 66 LEU H A 66 LEU HB2 1.0 . 3.55 363 363 A 43 SER H A 42 ILE HB 1.0 . 3.36 364 364 A 72 LEU H A 72 LEU HB2 1.0 . 3.48 365 365 A 20 CYS H A 20 CYS HBx 1.0 . 3.79 366 366 A 96 ASP H A 96 ASP HB2 1.0 . 3.70 367 367 A 16 GLY H A 33 PRO HA 1.0 . 3.76 368 368 A 5 THR H A 5 THR HB 1.0 . 3.48 369 369 A 13 ILE HB A 10 LEU HA 1.0 . 4.45 370 370 A 56 ARG H A 56 ARG HBy 1.0 . 3.86 371 371 A 18 GLY H A 17 THR HA 1.0 . 3.05 372 372 A 14 LEU H A 14 LEU HBy 1.0 . 3.52 373 373 A 35 ASN H A 35 ASN HBy 1.0 . 3.76 374 374 A 24 GLU H A 23 VAL HA 1.0 . 2.93 375 375 A 9 LYS HB2 A 12 ASP H 1.0 . 3.73 376 376 A 40 TYR HA A 39 VAL HA 1.0 . 4.60 377 377 A 9 LYS HA A 10 LEU HA 1.0 . 4.60 378 378 A 80 TYR H A 80 TYR HB3 1.0 . 3.79 379 379 A 26 GLN H A 26 GLN HBy 1.0 . 3.61 380 380 A 78 ARG H A 77 PHE HB3 1.0 . 4.63 381 381 A 46 ASP H A 45 ILE HB 1.0 . 4.60 382 382 A 29 ALA H A 28 ILE HA 1.0 . 3.14 383 383 A 102 GLY H A 101 ASN HA 1.0 . 3.45 384 384 A 37 GLU H A 36 ASP HA 1.0 . 3.45 385 385 A 73 LYS H A 73 LYS HBx 1.0 . 3.86 386 386 A 12 ASP H A 12 ASP HBy 1.0 . 3.67 387 387 A 99 VAL HA A 105 GLN H 1.0 . 4.29 388 388 A 11 ASP H A 9 LYS HB2 1.0 . 4.54 389 389 A 44 ASN H A 28 ILE HA 1.0 . 3.79 390 390 A 69 ALA HA A 76 HIS HA 1.0 . 3.48 391 391 A 97 THR HA A 106 ILE HA 1.0 . 3.67 392 392 A 4 TRP H A 3 GLN HA 1.0 . 3.02 393 393 A 73 LYS H A 72 LEU HB3 1.0 . 3.45 394 394 A 51 ALA H A 50 GLN HA 1.0 . 3.42 395 395 A 22 LEU H A 21 ALA HA 1.0 . 3.21 396 396 A 98 GLN H A 97 THR HB 1.0 . 3.36 397 397 A 104 VAL HA A 105 GLN H 1.0 . 3.05 398 398 A 15 PRO HA A 16 GLY H 1.0 . 3.11 399 399 A 85 LEU H A 84 CYS HA 1.0 . 3.48 400 400 A 54 LEU H A 54 LEU HB3 1.0 . 4.14 401 401 A 9 LYS HB3 A 12 ASP H 1.0 . 4.17 402 402 A 74 LYS HA A 74 LYS HDy 1.0 . 5.22 403 403 A 28 ILE HB A 21 ALA H 1.0 . 5.50 404 404 A 67 TRP HE1 A 62 HIS HBx 1.0 . 4.76 405 405 A 67 TRP HE1 A 65 ASP HBy 1.0 . 4.91 406 406 A 43 SER HBx A 92 VAL HB 1.0 . 4.60 407 407 A 97 THR HA A 4 TRP HZ3 1.0 . 3.11 408 408 A 119 GLN HA A 120 PRO HDx 1.0 . 3.76 409 409 A 50 GLN H A 50 GLN HGy 1.0 . 5.44 410 410 A 25 GLN H A 25 GLN HGy 1.0 . 4.91 411 411 A 106 ILE H A 106 ILE HG1y 1.0 . 4.69 412 412 A 67 TRP HA A 79 LEU HG 1.0 . 5.50 413 413 A 40 TYR HB2 A 79 LEU HBx 1.0 . 5.50 414 414 A 72 LEU H A 72 LEU HG 1.0 . 4.97 415 415 A 25 GLN H A 24 GLU HGx 1.0 . 5.50 416 416 A 67 TRP HE3 A 85 LEU HA 1.0 . 4.91 417 417 A 121 LEU HA A 122 PRO HDx 1.0 . 3.36 418 418 A 45 ILE H A 45 ILE HG1y 1.0 . 4.17 419 419 A 9 LYS HA A 9 LYS HDy 1.0 . 5.47 420 420 A 25 GLN H A 25 GLN HGx 1.0 . 4.91 421 421 A 37 GLU H A 37 GLU HGy 1.0 . 4.97 422 422 A 23 VAL H A 22 LEU HG 1.0 . 5.50 423 423 A 50 GLN H A 50 GLN HGx 1.0 . 5.44 424 424 A 54 LEU HB3 A 44 ASN HA 1.0 . 5.31 425 425 A 62 HIS H A 61 GLU HGx 1.0 . 4.54 426 426 A 66 LEU H A 66 LEU HG 1.0 . 3.55 427 427 A 79 LEU H A 79 LEU HG 1.0 . 4.79 428 428 A 58 ILE H A 58 ILE HG1x 1.0 . 4.20 429 429 A 25 GLN HGy A 25 GLN HA 1.0 . 4.23 430 430 A 96 ASP HB2 A 4 TRP HH2 1.0 . 5.19 431 431 A 28 ILE H A 28 ILE HG1y 1.0 . 4.45 432 432 A 30 VAL HA A 40 TYR HB3 1.0 . 5.34 433 433 A 94 ALA HA A 42 ILE HB 1.0 . 5.50 434 434 A 67 TRP HE1 A 62 HIS HBy 1.0 . 4.76 435 435 A 8 CYS H A 104 VAL HB 1.0 . 4.82 436 436 A 106 ILE H A 106 ILE HG1x 1.0 . 4.69 437 437 A 40 TYR HB2 A 79 LEU HBy 1.0 . 5.50 438 438 A 25 GLN H A 24 GLU HGy 1.0 . 5.50 439 439 A 92 VAL HB A 43 SER HBy 1.0 . 4.60 440 440 A 53 VAL HB A 71 PRO HGy 1.0 . 4.60 441 441 A 53 VAL HB A 71 PRO HGx 1.0 . 4.60 442 442 A 14 LEU HA A 15 PRO HDy 1.0 . 3.67 443 443 A 14 LEU HA A 15 PRO HDx 1.0 . 3.67 444 444 A 9 LYS HA A 9 LYS HDx 1.0 . 5.47 445 445 A 119 GLN HA A 120 PRO HDy 1.0 . 3.76 446 446 A 40 TYR HB2 A 31 PHE HB2 1.0 . 5.44 447 447 A 74 LYS HA A 74 LYS HDx 1.0 . 5.22 448 448 A 121 LEU H A 121 LEU HG 1.0 . 4.94 449 449 A 25 GLN HGx A 25 GLN HA 1.0 . 4.23 450 450 A 121 LEU HA A 122 PRO HDy 1.0 . 3.36 451 451 A 62 HIS H A 61 GLU HGy 1.0 . 4.54 452 452 A 79 LEU HD2% A 68 VAL HB 1.0 . 4.81 453 453 A 54 LEU HA A 54 LEU HD1% 1.0 . 6.52 454 454 A 103 ASN HA A 6 THR HG2% 1.0 . 6.52 455 455 A 32 ARG H A 13 ILE HG2% 1.0 . 4.91 456 456 A 19 VAL H A 19 VAL HG2% 1.0 . 4.26 457 457 A 27 GLN HA A 22 LEU HD2% 1.0 . 6.12 458 458 A 28 ILE HB A 23 VAL HG2% 1.0 . 5.46 459 459 A 29 ALA HB% A 55 SER HBx 1.0 . 6.30 460 460 A 13 ILE HG2% A 32 ARG HBx 1.0 . 5.25 461 461 A 40 TYR HB2 A 79 LEU HD1% 1.0 . 6.30 462 462 A 28 ILE HG2% A 42 ILE HG2% 1.0 . 7.54 463 463 A 42 ILE HD1% A 28 ILE HG2% 1.0 . 7.14 464 464 A 52 SER HA A 45 ILE HD1% 1.0 . 5.22 465 465 A 51 ALA H A 45 ILE HG2% 1.0 . 5.00 466 466 A 51 ALA HB% A 53 VAL HG2% 1.0 . 7.48 467 467 A 52 SER HA A 53 VAL HG2% 1.0 . 6.52 468 468 A 79 LEU HD1% A 59 VAL HG2% 1.0 . 6.95 469 469 A 43 SER HBy A 93 ALA HB% 1.0 . 5.90 470 470 A 95 TYR HB3 A 106 ILE HG2% 1.0 . 6.30 471 471 A 37 GLU HGy A 10 LEU HD2% 1.0 . 5.50 472 472 A 13 ILE HA A 13 ILE HD1% 1.0 . 5.96 473 473 A 53 VAL H A 53 VAL HG2% 1.0 . 4.22 474 474 A 85 LEU HA A 85 LEU HD1% 1.0 . 4.38 475 475 A 30 VAL H A 29 ALA HB% 1.0 . 5.15 476 476 A 42 ILE HG2% A 79 LEU HA 1.0 . 4.53 477 477 A 17 THR H A 17 THR HG2% 1.0 . 4.63 478 478 A 10 LEU H A 10 LEU HD2% 1.0 . 6.52 479 479 A 54 LEU H A 54 LEU HD2% 1.0 . 6.52 480 480 A 66 LEU HA A 66 LEU HD2% 1.0 . 4.50 481 481 A 104 VAL H A 104 VAL HG2% 1.0 . 5.31 482 482 A 17 THR HG1 A 13 ILE HG2% 1.0 . 6.52 483 483 A 20 CYS H A 19 VAL HG2% 1.0 . 5.37 484 484 A 20 CYS HA A 21 ALA HB% 1.0 . 6.49 485 485 A 23 VAL H A 22 LEU HD1% 1.0 . 5.71 486 486 A 29 ALA HB% A 55 SER HBy 1.0 . 6.30 487 487 A 42 ILE HG2% A 82 GLY HAx 1.0 . 5.90 488 488 A 51 ALA HA A 45 ILE HD1% 1.0 . 6.49 489 489 A 46 ASP HA A 92 VAL HG1% 1.0 . 6.24 490 490 A 72 LEU HG A 53 VAL HG2% 1.0 . 5.28 491 491 A 58 ILE HA A 59 VAL HG2% 1.0 . 6.39 492 492 A 59 VAL HA A 60 ALA HB% 1.0 . 6.27 493 493 A 77 PHE HB2 A 68 VAL HG1% 1.0 . 5.47 494 494 A 58 ILE HB A 69 ALA HB% 1.0 . 5.06 495 495 A 42 ILE HA A 92 VAL HG2% 1.0 . 6.52 496 496 A 97 THR HA A 106 ILE HG2% 1.0 . 6.52 497 497 A 105 GLN HA A 6 THR HG2% 1.0 . 6.52 498 498 A 92 VAL HB A 93 ALA HB% 1.0 . 6.27 499 499 A 114 ALA H A 114 ALA HB% 1.0 . 4.10 500 500 A 54 LEU HA A 54 LEU HD2% 1.0 . 4.19 501 501 A 10 LEU HD1% A 37 GLU HA 1.0 . 5.22 502 502 A 13 ILE H A 13 ILE HD1% 1.0 . 5.96 503 503 A 30 VAL HB A 19 VAL HG2% 1.0 . 4.41 504 504 A 29 ALA HB% A 55 SER HA 1.0 . 5.53 505 505 A 31 PHE HB2 A 79 LEU HD1% 1.0 . 6.52 506 506 A 106 ILE HA A 106 ILE HD1% 1.0 . 6.30 507 507 A 95 TYR HB3 A 41 ALA HB% 1.0 . 5.77 508 508 A 42 ILE HD1% A 29 ALA HB% 1.0 . 7.54 509 509 A 46 ASP H A 45 ILE HD1% 1.0 . 6.18 510 510 A 46 ASP HBy A 53 VAL HG2% 1.0 . 5.37 511 511 A 71 PRO HGx A 53 VAL HG2% 1.0 . 5.96 512 512 A 54 LEU H A 53 VAL HG2% 1.0 . 4.97 513 513 A 104 VAL HA A 99 VAL HG2% 1.0 . 5.31 514 514 A 6 THR HG2% A 7 VAL HA 1.0 . 6.39 515 515 A 59 VAL HB A 58 ILE HG2% 1.0 . 6.15 516 516 A 74 LYS HA A 69 ALA HB% 1.0 . 5.40 517 517 A 92 VAL HG2% A 54 LEU HD1% 1.0 . 7.54 518 518 A 100 THR HA A 99 VAL HG1% 1.0 . 6.46 519 519 A 61 GLU H A 60 ALA HB% 1.0 . 4.38 520 520 A 45 ILE HD1% A 45 ILE HG2% 1.0 . 6.05 521 521 A 45 ILE HA A 45 ILE HD1% 1.0 . 5.65 522 522 A 105 GLN H A 104 VAL HG1% 1.0 . 5.22 523 523 A 79 LEU H A 79 LEU HD2% 1.0 . 6.52 524 524 A 100 THR H A 100 THR HG2% 1.0 . 4.84 525 525 A 22 LEU HA A 22 LEU HD1% 1.0 . 4.94 526 526 A 45 ILE H A 45 ILE HG2% 1.0 . 5.06 527 527 A 6 THR HB A 106 ILE HD1% 1.0 . 6.52 528 528 A 10 LEU HD2% A 37 GLU HA 1.0 . 4.38 529 529 A 10 LEU HA A 13 ILE HD1% 1.0 . 6.21 530 530 A 27 GLN HA A 22 LEU HD1% 1.0 . 6.02 531 531 A 23 VAL HB A 28 ILE HD1% 1.0 . 5.25 532 532 A 29 ALA HA A 30 VAL HG2% 1.0 . 6.52 533 533 A 97 THR HA A 39 VAL HG2% 1.0 . 6.52 534 534 A 40 TYR HB3 A 79 LEU HD1% 1.0 . 6.52 535 535 A 30 VAL HA A 41 ALA HB% 1.0 . 5.96 536 536 A 94 ALA HB% A 42 ILE HB 1.0 . 6.27 537 537 A 42 ILE HG2% A 82 GLY HAy 1.0 . 5.90 538 538 A 42 ILE HD1% A 77 PHE HB3 1.0 . 6.27 539 539 A 43 SER HBx A 93 ALA HB% 1.0 . 5.90 540 540 A 70 SER H A 69 ALA HB% 1.0 . 5.06 541 541 A 71 PRO HGy A 53 VAL HG2% 1.0 . 5.96 542 542 A 59 VAL H A 58 ILE HG2% 1.0 . 4.60 543 543 A 92 VAL HG2% A 42 ILE HB 1.0 . 4.91 544 544 A 22 LEU HA A 22 LEU HD2% 1.0 . 5.84 545 545 A 107 SER H A 106 ILE HG2% 1.0 . 5.00 546 546 A 22 LEU H A 21 ALA HB% 1.0 . 4.53 547 547 A 7 VAL HB A 21 ALA HB% 1.0 . 5.28 548 548 A 28 ILE HA A 28 ILE HD1% 1.0 . 5.71 549 549 A 39 VAL HB A 97 THR HG2% 1.0 . 6.52 550 550 A 24 GLU HA A 23 VAL HG1% 1.0 . 5.19 551 551 A 108 ILE HA A 108 ILE HD1% 1.0 . 5.37 552 552 A 39 VAL H A 39 VAL HG2% 1.0 . 4.84 553 553 A 14 LEU HA A 14 LEU HD2% 1.0 . 4.44 554 554 A 14 LEU H A 14 LEU HD2% 1.0 . 6.52 555 555 A 72 LEU HA A 72 LEU HD2% 1.0 . 4.07 556 556 A 54 LEU H A 54 LEU HD1% 1.0 . 6.36 557 557 A 58 ILE H A 58 ILE HG2% 1.0 . 6.52 558 558 A 58 ILE H A 58 ILE HD1% 1.0 . 6.52 559 559 A 58 ILE HA A 58 ILE HD1% 1.0 . 5.28 560 560 A 13 ILE HG2% A 32 ARG HBy 1.0 . 5.25 561 561 A 17 THR HG2% A 14 LEU HBy 1.0 . 5.43 562 562 A 22 LEU HD1% A 25 GLN HA 1.0 . 5.06 563 563 A 28 ILE HG2% A 28 ILE HD1% 1.0 . 6.52 564 564 A 32 ARG HA A 39 VAL HG1% 1.0 . 5.96 565 565 A 94 ALA HA A 42 ILE HG2% 1.0 . 4.88 566 566 A 77 PHE HB2 A 42 ILE HD1% 1.0 . 6.33 567 567 A 60 ALA H A 59 VAL HG2% 1.0 . 6.52 568 568 A 92 VAL HG2% A 77 PHE HB3 1.0 . 6.36 569 569 A 43 SER H A 92 VAL HG2% 1.0 . 6.30 570 570 A 94 ALA HB% A 81 ASP HA 1.0 . 4.88 571 571 A 95 TYR HB2 A 106 ILE HD1% 1.0 . 6.52 572 572 A 17 THR HG2% A 14 LEU HBx 1.0 . 5.43 573 573 A 10 LEU HA A 10 LEU HD1% 1.0 . 4.66 574 574 A 6 THR H A 6 THR HG2% 1.0 . 6.52 575 575 A 93 ALA H A 93 ALA HB% 1.0 . 4.07 576 576 A 14 LEU HA A 14 LEU HD1% 1.0 . 5.68 577 577 A 66 LEU HA A 66 LEU HD1% 1.0 . 6.52 578 578 A 10 LEU HA A 10 LEU HD2% 1.0 . 6.15 579 579 A 105 GLN HA A 7 VAL HG2% 1.0 . 6.46 580 580 A 32 ARG HE A 10 LEU HD2% 1.0 . 6.52 581 581 A 23 VAL HG1% A 5 THR HB 1.0 . 5.03 582 582 A 26 GLN HBy A 28 ILE HD1% 1.0 . 5.90 583 583 A 38 GLN HA A 39 VAL HG2% 1.0 . 6.52 584 584 A 95 TYR H A 41 ALA HB% 1.0 . 6.52 585 585 A 95 TYR H A 42 ILE HG2% 1.0 . 5.50 586 586 A 42 ILE HD1% A 79 LEU HA 1.0 . 6.46 587 587 A 47 PRO HA A 45 ILE HG2% 1.0 . 5.40 588 588 A 46 ASP HBx A 53 VAL HG2% 1.0 . 5.37 589 589 A 51 ALA H A 49 ALA HB% 1.0 . 6.52 590 590 A 54 LEU HD1% A 46 ASP HA 1.0 . 5.50 591 591 A 66 LEU HB2 A 79 LEU HD1% 1.0 . 6.02 592 592 A 68 VAL HB A 59 VAL HG2% 1.0 . 5.19 593 593 A 58 ILE H A 68 VAL HG2% 1.0 . 6.52 594 594 A 97 THR HG2% A 96 ASP HA 1.0 . 5.34 595 595 A 106 ILE HD1% A 28 ILE HD1% 1.0 . 7.04 596 596 A 7 VAL HG2% A 106 ILE HD1% 1.0 . 7.54 597 597 A 99 VAL HG2% A 39 VAL HG2% 1.0 . 7.07 598 598 A 68 VAL HG1% A 77 PHE HB3 1.0 . 6.49 599 599 A 95 TYR HB2 A 106 ILE HG2% 1.0 . 6.02 600 600 A 108 ILE HG2% A 28 ILE HD1% 1.0 . 7.54 601 601 A 59 VAL H A 59 VAL HG2% 1.0 . 4.60 602 602 A 97 THR HG2% A 106 ILE HG2% 1.0 . 6.89 603 603 A 89 ALA H A 89 ALA HB% 1.0 . 3.88 604 604 A 8 CYS H A 7 VAL HG2% 1.0 . 5.59 605 605 A 11 ASP H A 10 LEU HD2% 1.0 . 6.52 606 606 A 42 ILE H A 29 ALA HB% 1.0 . 6.52 607 607 A 97 THR HB A 39 VAL HG2% 1.0 . 4.66 608 608 A 41 ALA HB% A 28 ILE HD1% 1.0 . 7.54 609 609 A 51 ALA HA A 45 ILE HG2% 1.0 . 6.52 610 610 A 45 ILE HG2% A 50 GLN HA 1.0 . 4.81 611 611 A 69 ALA H A 68 VAL HG2% 1.0 . 5.00 612 612 A 76 HIS HA A 69 ALA HB% 1.0 . 6.52 613 613 A 106 ILE HA A 97 THR HG2% 1.0 . 5.71 614 614 A 103 ASN H A 99 VAL HG1% 1.0 . 5.16 615 615 A 106 ILE HG2% A 28 ILE HD1% 1.0 . 7.45 616 616 A 97 THR HG2% A 106 ILE HD1% 1.0 . 7.48 617 617 A 18 GLY HAx A 19 VAL HG2% 1.0 . 6.52 618 618 A 108 ILE HD1% A 28 ILE HD1% 1.0 . 6.49 619 619 A 79 LEU HD2% A 79 LEU HA 1.0 . 4.47 620 620 A 94 ALA H A 93 ALA HB% 1.0 . 5.00 621 621 A 30 VAL H A 30 VAL HG2% 1.0 . 5.43 622 622 A 14 LEU H A 14 LEU HD1% 1.0 . 6.39 623 623 A 99 VAL H A 99 VAL HG2% 1.0 . 4.41 624 624 A 92 VAL H A 92 VAL HG1% 1.0 . 6.09 625 625 A 106 ILE H A 7 VAL HG2% 1.0 . 6.52 626 626 A 18 GLY HAy A 19 VAL HG2% 1.0 . 6.52 627 627 A 21 ALA HB% A 28 ILE HD1% 1.0 . 7.54 628 628 A 25 GLN HA A 22 LEU HD2% 1.0 . 6.49 629 629 A 23 VAL HG2% A 28 ILE HD1% 1.0 . 7.20 630 630 A 26 GLN HBx A 28 ILE HD1% 1.0 . 5.90 631 631 A 41 ALA HA A 28 ILE HG2% 1.0 . 6.52 632 632 A 31 PHE HB3 A 79 LEU HD1% 1.0 . 6.49 633 633 A 97 THR HG2% A 39 VAL HG2% 1.0 . 7.54 634 634 A 28 ILE HG2% A 41 ALA HB% 1.0 . 6.30 635 635 A 42 ILE HA A 94 ALA HB% 1.0 . 6.21 636 636 A 79 LEU HD2% A 42 ILE HG2% 1.0 . 7.54 637 637 A 42 ILE HD1% A 79 LEU HD2% 1.0 . 7.54 638 638 A 42 ILE HD1% A 42 ILE HG2% 1.0 . 6.24 639 639 A 53 VAL HG2% A 70 SER HA 1.0 . 6.52 640 640 A 44 ASN HA A 54 LEU HD1% 1.0 . 6.30 641 641 A 61 GLU HA A 66 LEU HD2% 1.0 . 5.03 642 642 A 66 LEU HB3 A 79 LEU HD1% 1.0 . 6.52 643 643 A 68 VAL HG1% A 79 LEU HD2% 1.0 . 7.07 644 644 A 58 ILE H A 69 ALA HB% 1.0 . 5.93 645 645 A 105 GLN HA A 104 VAL HG1% 1.0 . 5.78 646 646 A 37 GLU HGx A 10 LEU HD2% 1.0 . 5.50 647 647 A 51 ALA HB% A 53 VAL HG1% 1.0 . 6.02 648 648 A 61 GLU H A 66 LEU HD2% 1.0 . 6.18 649 649 A 123 LEU HA A 123 LEU HD2% 1.0 . 5.00 650 650 A 95 TYR HB2 A 41 ALA HB% 1.0 . 4.94 651 651 A 72 LEU H A 72 LEU HD2% 1.0 . 5.03 652 652 A 29 ALA HB% A 44 ASN HA 1.0 . 5.09 653 653 A 121 LEU HA A 121 LEU HD2% 1.0 . 5.37 654 654 A 43 SER H A 93 ALA HB% 1.0 . 6.12 655 655 A 106 ILE HG2% A 106 ILE HD1% 1.0 . 5.59 656 656 A 5 THR HG2% A 23 VAL HG1% 1.0 . 5.77 657 657 A 42 ILE H A 42 ILE HG2% 1.0 . 6.43 658 658 A 72 LEU H A 53 VAL HG2% 1.0 . 6.52 659 659 A 23 VAL HB A 108 ILE HD1% 1.0 . 5.81 660 660 A 23 VAL HG1% A 28 ILE HD1% 1.0 . 7.54 661 661 A 52 SER HA A 45 ILE HG2% 1.0 . 6.30 662 662 A 60 ALA HB% A 58 ILE HG2% 1.0 . 7.54 663 663 A 59 VAL HG1% A 79 LEU HD1% 1.0 . 7.54 664 664 A 66 LEU HD1% A 79 LEU HD1% 1.0 . 7.54 665 665 A 66 LEU H A 67 TRP HD1 1.0 . 3.92 666 666 A 106 ILE HA A 4 TRP HE3 1.0 . 4.23 667 667 A 4 TRP H A 4 TRP HD1 1.0 . 3.79 668 668 A 107 SER H A 4 TRP HE3 1.0 . 4.35 669 669 A 4 TRP HA A 4 TRP HE3 1.0 . 3.24 670 670 A 67 TRP HE1 A 62 HIS HD2 1.0 . 4.11 671 671 A 61 GLU HA A 67 TRP HD1 1.0 . 3.42 672 672 A 66 LEU HA A 67 TRP HD1 1.0 . 3.45 673 673 A 62 HIS H A 67 TRP HD1 1.0 . 2.99 674 674 A 106 ILE HA A 4 TRP HZ3 1.0 . 4.07 675 675 A 67 TRP H A 67 TRP HD1 1.0 . 3.27 676 676 A 96 ASP HB3 A 4 TRP HH2 1.0 . 3.61 677 677 A 77 PHE HA A 67 TRP HE3 1.0 . 3.95 678 678 A 4 TRP HE3 A 106 ILE HG2% 1.0 . 5.12 679 679 A 85 LEU HD2% A 62 HIS HD2 1.0 . 4.69 680 680 A 85 LEU HD1% A 62 HIS HD2 1.0 . 4.75 681 681 A 69 ALA HB% A 76 HIS HD2 1.0 . 4.01 682 682 A 85 LEU HD1% A 67 TRP HZ2 1.0 . 4.97 683 683 A 85 LEU HD1% A 67 TRP HH2 1.0 . 4.81 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 3 GLN C A 4 TRP N A 4 TRP CA A 4 TRP C 1.0 -139.1 -73.8 PHI 2 2 A 4 TRP N A 4 TRP CA A 4 TRP C A 5 THR N 1.0 92.8 156.6 PSI 3 3 A 4 TRP C A 5 THR N A 5 THR CA A 5 THR C 1.0 -137.3 -62.3 PHI 4 4 A 5 THR N A 5 THR CA A 5 THR C A 6 THR N 1.0 105.8 151.2 PSI 5 5 A 5 THR C A 6 THR N A 6 THR CA A 6 THR C 1.0 -122.5 -46.4 PHI 6 6 A 6 THR N A 6 THR CA A 6 THR C A 7 VAL N 1.0 119.6 143.0 PSI 7 7 A 16 GLY C A 17 THR N A 17 THR CA A 17 THR C 1.0 -170.3 -100.7 PHI 8 8 A 17 THR N A 17 THR CA A 17 THR C A 18 GLY N 1.0 120.3 193.5 PSI 9 9 A 18 GLY C A 19 VAL N A 19 VAL CA A 19 VAL C 1.0 -159.7 -83.4 PHI 10 10 A 19 VAL N A 19 VAL CA A 19 VAL C A 20 CYS N 1.0 117.8 183.2 PSI 11 11 A 19 VAL C A 20 CYS N A 20 CYS CA A 20 CYS C 1.0 -150.1 -64.2 PHI 12 12 A 20 CYS N A 20 CYS CA A 20 CYS C A 21 ALA N 1.0 105.5 151.7 PSI 13 13 A 20 CYS C A 21 ALA N A 21 ALA CA A 21 ALA C 1.0 -158.7 -60.9 PHI 14 14 A 21 ALA N A 21 ALA CA A 21 ALA C A 22 LEU N 1.0 96.0 167.6 PSI 15 15 A 21 ALA C A 22 LEU N A 22 LEU CA A 22 LEU C 1.0 -133.1 -65.8 PHI 16 16 A 22 LEU N A 22 LEU CA A 22 LEU C A 23 VAL N 1.0 107.4 150.2 PSI 17 17 A 29 ALA C A 30 VAL N A 30 VAL CA A 30 VAL C 1.0 -139.4 -85.2 PHI 18 18 A 30 VAL N A 30 VAL CA A 30 VAL C A 31 PHE N 1.0 108.1 157.0 PSI 19 19 A 39 VAL C A 40 TYR N A 40 TYR CA A 40 TYR C 1.0 -169.4 -103.9 PHI 20 20 A 40 TYR N A 40 TYR CA A 40 TYR C A 41 ALA N 1.0 114.9 175.9 PSI 21 21 A 40 TYR C A 41 ALA N A 41 ALA CA A 41 ALA C 1.0 -149.7 -89.7 PHI 22 22 A 41 ALA N A 41 ALA CA A 41 ALA C A 42 ILE N 1.0 113.8 164.6 PSI 23 23 A 58 ILE C A 59 VAL N A 59 VAL CA A 59 VAL C 1.0 -129.3 -83.1 PHI 24 24 A 59 VAL N A 59 VAL CA A 59 VAL C A 60 ALA N 1.0 110.0 144.7 PSI 25 25 A 59 VAL C A 60 ALA N A 60 ALA CA A 60 ALA C 1.0 -170.2 -86.5 PHI 26 26 A 60 ALA N A 60 ALA CA A 60 ALA C A 61 GLU N 1.0 113.8 182.8 PSI 27 27 A 65 ASP C A 66 LEU N A 66 LEU CA A 66 LEU C 1.0 -135.8 -78.6 PHI 28 28 A 66 LEU N A 66 LEU CA A 66 LEU C A 67 TRP N 1.0 103.7 151.3 PSI 29 29 A 66 LEU C A 67 TRP N A 67 TRP CA A 67 TRP C 1.0 -150.8 -83.9 PHI 30 30 A 67 TRP N A 67 TRP CA A 67 TRP C A 68 VAL N 1.0 108.3 168.1 PSI 31 31 A 67 TRP C A 68 VAL N A 68 VAL CA A 68 VAL C 1.0 -169.0 -94.8 PHI 32 32 A 68 VAL N A 68 VAL CA A 68 VAL C A 69 ALA N 1.0 103.9 183.5 PSI 33 33 A 94 ALA C A 95 TYR N A 95 TYR CA A 95 TYR C 1.0 -169.4 -84.9 PHI 34 34 A 95 TYR N A 95 TYR CA A 95 TYR C A 96 ASP N 1.0 99.7 177.3 PSI 35 35 A 96 ASP C A 97 THR N A 97 THR CA A 97 THR C 1.0 -167.9 -99.4 PHI 36 36 A 97 THR N A 97 THR CA A 97 THR C A 98 GLN N 1.0 134.6 184.3 PSI 37 37 A 97 THR C A 98 GLN N A 98 GLN CA A 98 GLN C 1.0 -187.4 -110.1 PHI 38 38 A 98 GLN N A 98 GLN CA A 98 GLN C A 99 VAL N 1.0 129.4 182.0 PSI 39 39 A 98 GLN C A 99 VAL N A 99 VAL CA A 99 VAL C 1.0 -131.1 -88.8 PHI 40 40 A 99 VAL N A 99 VAL CA A 99 VAL C A 100 THR N 1.0 113.3 150.5 PSI stop_ save_ save_15N _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode 15N _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 5000 2 15N 2434.11 3 1H 10000 stop_ save_ save_13Cali _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode 13Cali _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 10000 2 13C 5285.41 3 1H 10000 stop_ save_ save_13Caro _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode 13Caro _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 1H 5000 2 13C 5285.41 3 1H 10000 stop_ save_