data_nef_c16426_2kmd save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2JV3 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 12 LEU C 1 13 TPO N 1 13 TPO C 1 14 PRO N 1 15 SER C 1 16 SEP N 1 16 SEP C 1 17 LYS N stop_ 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 26 GLY start . false 2 A 27 SER middle . . 3 A 28 HIS middle . . 4 A 29 MET middle . . 5 A 30 GLU middle . . 6 A 31 CYS middle . . 7 A 32 ALA middle . . 8 A 33 ASP middle . . 9 A 34 VAL middle . . 10 A 35 PRO middle . false 11 A 36 LEU middle . . 12 A 37 LEU middle . . 13 A 38 TPO middle . . 14 A 39 PRO middle . false 15 A 40 SER middle . . 16 A 41 SEP middle . . 17 A 42 LYS middle . . 18 A 43 GLU middle . . 19 A 44 MET middle . . 20 A 45 MET middle . . 21 A 46 SER middle . . 22 A 47 GLN middle . . 23 A 48 ALA middle . . 24 A 49 LEU middle . . 25 A 50 LYS middle . . 26 A 51 ALA middle . . 27 A 52 THR middle . . 28 A 53 PHE middle . . 29 A 54 SER middle . . 30 A 55 GLY middle . false 31 A 56 PHE middle . . 32 A 57 THR middle . . 33 A 58 LYS middle . . 34 A 59 GLU middle . . 35 A 60 GLN middle . . 36 A 61 GLN middle . . 37 A 62 ARG middle . . 38 A 63 LEU middle . . 39 A 64 GLY middle . false 40 A 65 ILE middle . . 41 A 66 PRO middle . false 42 A 67 LYS middle . . 43 A 68 ASP middle . . 44 A 69 PRO middle . false 45 A 70 ARG middle . . 46 A 71 GLN middle . . 47 A 72 TRP middle . . 48 A 73 THR middle . . 49 A 74 GLU middle . . 50 A 75 THR middle . . 51 A 76 HIS middle . . 52 A 77 VAL middle . . 53 A 78 ARG middle . . 54 A 79 ASP middle . . 55 A 80 TRP middle . . 56 A 81 VAL middle . . 57 A 82 MET middle . . 58 A 83 TRP middle . . 59 A 84 ALA middle . . 60 A 85 VAL middle . . 61 A 86 ASN middle . . 62 A 87 GLU middle . . 63 A 88 PHE middle . . 64 A 89 SER middle . . 65 A 90 LEU middle . . 66 A 91 LYS middle . . 67 A 92 GLY middle . false 68 A 93 VAL middle . . 69 A 94 ASP middle . . 70 A 95 PHE middle . . 71 A 96 GLN middle . . 72 A 97 LYS middle . . 73 A 98 PHE middle . . 74 A 99 CYS middle . . 75 A 100 MET middle . . 76 A 101 SER middle . . 77 A 102 GLY middle . false 78 A 103 ALA middle . . 79 A 104 ALA middle . . 80 A 105 LEU middle . . 81 A 106 CYS middle . . 82 A 107 ALA middle . . 83 A 108 LEU middle . . 84 A 109 GLY middle . false 85 A 110 LYS middle . . 86 A 111 GLU middle . . 87 A 112 CYS middle . . 88 A 113 PHE middle . . 89 A 114 LEU middle . . 90 A 115 GLU middle . . 91 A 116 LEU middle . . 92 A 117 ALA middle . . 93 A 118 PRO middle . false 94 A 119 ASP middle . . 95 A 120 PHE middle . . 96 A 121 VAL middle . . 97 A 122 GLY middle . false 98 A 123 ASP middle . . 99 A 124 ILE middle . . 100 A 125 LEU middle . . 101 A 126 TRP middle . . 102 A 127 GLU middle . . 103 A 128 HIS middle . . 104 A 129 LEU middle . . 105 A 130 GLU middle . . 106 A 131 ILE middle . . 107 A 132 LEU middle . . 108 A 133 GLN middle . . 109 A 134 LYS middle . . 110 A 135 GLU middle . . 111 A 136 ASP middle . . 112 A 137 VAL middle . . 113 A 138 LYS end . . stop_ save_ save_2P_ETS1PNT_CSHIFT _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode 2P_ETS1PNT_CSHIFT 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 28 HIS HA H 1 4.685 0.03 A 28 HIS HBy H 1 3.228 0.03 A 28 HIS HBx H 1 3.151 0.03 A 28 HIS HE1 H 1 8.305 0.03 A 28 HIS C C 13 174.655 0.4 A 28 HIS CA C 13 56.05 0.4 A 28 HIS CB C 13 29.665 0.4 A 28 HIS CE1 C 13 137.304 0.4 A 29 MET H H 1 8.36 0.03 A 29 MET HA H 1 4.435 0.03 A 29 MET HBy H 1 2.065 0.03 A 29 MET HBx H 1 1.947 0.03 A 29 MET HE% H 1 2.071 0.03 A 29 MET HGy H 1 2.528 0.03 A 29 MET HGx H 1 2.462 0.03 A 29 MET C C 13 175.966 0.4 A 29 MET CA C 13 55.603 0.4 A 29 MET CB C 13 32.991 0.4 A 29 MET CE C 13 16.901 0.4 A 29 MET CG C 13 31.962 0.4 A 29 MET N N 15 121.781 0.4 A 30 GLU H H 1 8.551 0.03 A 30 GLU HA H 1 4.292 0.03 A 30 GLU HBy H 1 2.073 0.03 A 30 GLU HBx H 1 1.951 0.03 A 30 GLU HGx H 1 2.273 0.03 A 30 GLU HGy H 1 2.273 0.03 A 30 GLU C C 13 176.261 0.4 A 30 GLU CA C 13 56.785 0.4 A 30 GLU CB C 13 30.079 0.4 A 30 GLU CG C 13 36.191 0.4 A 30 GLU N N 15 122.316 0.4 A 31 CYS H H 1 8.334 0.03 A 31 CYS HA H 1 4.478 0.03 A 31 CYS HBx H 1 2.924 0.03 A 31 CYS HBy H 1 2.924 0.03 A 31 CYS C C 13 174.053 0.4 A 31 CYS CA C 13 58.287 0.4 A 31 CYS CB C 13 28.2 0.4 A 31 CYS N N 15 119.969 0.4 A 32 ALA H H 1 8.368 0.03 A 32 ALA HA H 1 4.341 0.03 A 32 ALA HB% H 1 1.375 0.03 A 32 ALA C C 13 177.127 0.4 A 32 ALA CA C 13 52.588 0.4 A 32 ALA CB C 13 19.505 0.4 A 32 ALA N N 15 126.345 0.4 A 33 ASP H H 1 8.23 0.03 A 33 ASP HA H 1 4.57 0.03 A 33 ASP HBy H 1 2.668 0.03 A 33 ASP HBx H 1 2.546 0.03 A 33 ASP C C 13 175.694 0.4 A 33 ASP CA C 13 54.392 0.4 A 33 ASP CB C 13 41.133 0.4 A 33 ASP N N 15 119.495 0.4 A 34 VAL H H 1 7.887 0.03 A 34 VAL HA H 1 4.406 0.03 A 34 VAL HB H 1 2.073 0.03 A 34 VAL HGx% H 1 0.942 0.03 A 34 VAL HGy% H 1 0.902 0.03 A 34 VAL CA C 13 59.972 0.4 A 34 VAL CB C 13 32.82 0.4 A 34 VAL CGy C 13 21.174 0.4 A 34 VAL CGx C 13 20.179 0.4 A 34 VAL N N 15 121.031 0.4 A 35 PRO HA H 1 4.388 0.03 A 35 PRO HBy H 1 2.257 0.03 A 35 PRO HBx H 1 1.849 0.03 A 35 PRO HDy H 1 3.812 0.03 A 35 PRO HDx H 1 3.66 0.03 A 35 PRO HGx H 1 1.993 0.03 A 35 PRO HGy H 1 1.993 0.03 A 35 PRO C C 13 176.452 0.4 A 35 PRO CA C 13 63.02 0.4 A 35 PRO CB C 13 32.144 0.4 A 35 PRO CD C 13 50.909 0.4 A 35 PRO CG C 13 27.351 0.4 A 36 LEU H H 1 8.251 0.03 A 36 LEU HA H 1 4.335 0.03 A 36 LEU HBx H 1 1.599 0.03 A 36 LEU HBy H 1 1.599 0.03 A 36 LEU HDx% H 1 0.91 0.03 A 36 LEU HDy% H 1 0.873 0.03 A 36 LEU HG H 1 0.914 0.03 A 36 LEU C C 13 176.995 0.4 A 36 LEU CA C 13 54.953 0.4 A 36 LEU CB C 13 42.394 0.4 A 36 LEU CDy C 13 24.96 0.4 A 36 LEU CDx C 13 23.852 0.4 A 36 LEU CG C 13 26.996 0.4 A 36 LEU N N 15 122.734 0.4 A 37 LEU H H 1 8.126 0.03 A 37 LEU HA H 1 4.429 0.03 A 37 LEU HBx H 1 1.587 0.03 A 37 LEU HBy H 1 1.587 0.03 A 37 LEU HDx% H 1 0.915 0.03 A 37 LEU HDy% H 1 0.862 0.03 A 37 LEU HG H 1 0.916 0.03 A 37 LEU C C 13 176.916 0.4 A 37 LEU CA C 13 54.74 0.4 A 37 LEU CB C 13 42.755 0.4 A 37 LEU CDy C 13 24.998 0.4 A 37 LEU CDx C 13 23.705 0.4 A 37 LEU CG C 13 27.009 0.4 A 37 LEU N N 15 123.659 0.4 A 38 TPO H H 1 8.649 0.03 A 38 TPO HA H 1 4.593 0.03 A 38 TPO HB H 1 4.463 0.03 A 38 TPO HG2% H 1 1.329 0.03 A 38 TPO CA C 13 59.912 0.4 A 38 TPO CB C 13 73.21 0.4 A 38 TPO CG2 C 13 20.504 0.4 A 38 TPO N N 15 119.848 0.4 A 39 PRO HA H 1 4.442 0.03 A 39 PRO HBy H 1 2.295 0.03 A 39 PRO HBx H 1 1.945 0.03 A 39 PRO HDy H 1 3.917 0.03 A 39 PRO HDx H 1 3.746 0.03 A 39 PRO HGy H 1 2.062 0.03 A 39 PRO HGx H 1 1.969 0.03 A 39 PRO C C 13 176.892 0.4 A 39 PRO CA C 13 63.392 0.4 A 39 PRO CB C 13 32.341 0.4 A 39 PRO CD C 13 51.283 0.4 A 39 PRO CG C 13 27.579 0.4 A 40 SER H H 1 8.589 0.03 A 40 SER HA H 1 4.494 0.03 A 40 SER HBy H 1 4.105 0.03 A 40 SER HBx H 1 3.903 0.03 A 40 SER C C 13 175.273 0.4 A 40 SER CA C 13 58.229 0.4 A 40 SER CB C 13 64.213 0.4 A 40 SER N N 15 117.174 0.4 A 41 SEP H H 1 9.191 0.03 A 41 SEP HA H 1 4.406 0.03 A 41 SEP HBx H 1 4.128 0.03 A 41 SEP HBy H 1 4.128 0.03 A 41 SEP C C 13 175.617 0.4 A 41 SEP CA C 13 59.035 0.4 A 41 SEP CB C 13 65.454 0.4 A 41 SEP N N 15 119.524 0.4 A 42 LYS H H 1 8.128 0.03 A 42 LYS HA H 1 4.244 0.03 A 42 LYS HBx H 1 1.832 0.03 A 42 LYS HBy H 1 1.832 0.03 A 42 LYS HDx H 1 1.682 0.03 A 42 LYS HDy H 1 1.682 0.03 A 42 LYS HEx H 1 2.983 0.03 A 42 LYS HEy H 1 2.983 0.03 A 42 LYS HGx H 1 1.475 0.03 A 42 LYS HGy H 1 1.475 0.03 A 42 LYS C C 13 177.615 0.4 A 42 LYS CA C 13 57.607 0.4 A 42 LYS CB C 13 32.737 0.4 A 42 LYS CD C 13 29.036 0.4 A 42 LYS CE C 13 42.193 0.4 A 42 LYS CG C 13 25.043 0.4 A 42 LYS N N 15 122.35 0.4 A 43 GLU H H 1 8.013 0.03 A 43 GLU HA H 1 4.223 0.03 A 43 GLU HBx H 1 2.07 0.03 A 43 GLU HBy H 1 2.07 0.03 A 43 GLU HGx H 1 2.286 0.03 A 43 GLU HGy H 1 2.286 0.03 A 43 GLU C C 13 177.567 0.4 A 43 GLU CA C 13 57.612 0.4 A 43 GLU CB C 13 29.889 0.4 A 43 GLU CG C 13 36.332 0.4 A 43 GLU N N 15 120.914 0.4 A 44 MET H H 1 8.253 0.03 A 44 MET HA H 1 4.372 0.03 A 44 MET HBy H 1 2.66 0.03 A 44 MET HBx H 1 2.584 0.03 A 44 MET HE% H 1 2.085 0.03 A 44 MET HGy H 1 2.267 0.03 A 44 MET HGx H 1 2.074 0.03 A 44 MET C C 13 177.528 0.4 A 44 MET CA C 13 56.811 0.4 A 44 MET CB C 13 32.464 0.4 A 44 MET CE C 13 17.129 0.4 A 44 MET N N 15 120.006 0.4 A 45 MET H H 1 8.233 0.03 A 45 MET HA H 1 4.385 0.03 A 45 MET HBy H 1 2.647 0.03 A 45 MET HBx H 1 2.561 0.03 A 45 MET HE% H 1 2.067 0.03 A 45 MET HGx H 1 2.109 0.03 A 45 MET HGy H 1 2.109 0.03 A 45 MET C C 13 177.091 0.4 A 45 MET CA C 13 56.835 0.4 A 45 MET CB C 13 32.493 0.4 A 45 MET CE C 13 17.122 0.4 A 45 MET CG C 13 32.448 0.4 A 45 MET N N 15 120.448 0.4 A 46 SER H H 1 8.237 0.03 A 46 SER HA H 1 4.332 0.03 A 46 SER HBx H 1 3.983 0.03 A 46 SER HBy H 1 3.983 0.03 A 46 SER C C 13 175.863 0.4 A 46 SER CA C 13 59.881 0.4 A 46 SER CB C 13 63.386 0.4 A 46 SER N N 15 116.295 0.4 A 47 GLN H H 1 8.343 0.03 A 47 GLN HA H 1 4.176 0.03 A 47 GLN HBx H 1 2.122 0.03 A 47 GLN HBy H 1 2.122 0.03 A 47 GLN HE2y H 1 7.55 0.03 A 47 GLN HE2x H 1 6.854 0.03 A 47 GLN HGx H 1 2.465 0.03 A 47 GLN HGy H 1 2.465 0.03 A 47 GLN C C 13 177.387 0.4 A 47 GLN CA C 13 57.62 0.4 A 47 GLN CB C 13 28.733 0.4 A 47 GLN CG C 13 33.857 0.4 A 47 GLN N N 15 121.467 0.4 A 47 GLN NE2 N 15 112.103 0.4 A 48 ALA H H 1 8.107 0.03 A 48 ALA HA H 1 4.226 0.03 A 48 ALA HB% H 1 1.455 0.03 A 48 ALA C C 13 179.262 0.4 A 48 ALA CA C 13 54.01 0.4 A 48 ALA CB C 13 18.606 0.4 A 48 ALA N N 15 123.308 0.4 A 49 LEU H H 1 8.005 0.03 A 49 LEU HA H 1 4.15 0.03 A 49 LEU HBy H 1 1.704 0.03 A 49 LEU HBx H 1 1.574 0.03 A 49 LEU HDx% H 1 0.91 0.03 A 49 LEU HDy% H 1 0.877 0.03 A 49 LEU HG H 1 0.924 0.03 A 49 LEU C C 13 178.175 0.4 A 49 LEU CA C 13 56.727 0.4 A 49 LEU CB C 13 42.045 0.4 A 49 LEU CDy C 13 24.968 0.4 A 49 LEU CDx C 13 23.914 0.4 A 49 LEU CG C 13 27.04 0.4 A 49 LEU N N 15 120.041 0.4 A 50 LYS H H 1 8.012 0.03 A 50 LYS HA H 1 4.109 0.03 A 50 LYS HBx H 1 1.896 0.03 A 50 LYS HBy H 1 1.896 0.03 A 50 LYS HDx H 1 1.709 0.03 A 50 LYS HDy H 1 1.709 0.03 A 50 LYS HEx H 1 3.003 0.03 A 50 LYS HEy H 1 3.003 0.03 A 50 LYS HGy H 1 1.58 0.03 A 50 LYS HGx H 1 1.462 0.03 A 50 LYS C C 13 178.231 0.4 A 50 LYS CA C 13 58.542 0.4 A 50 LYS CB C 13 32.546 0.4 A 50 LYS CD C 13 29.443 0.4 A 50 LYS CE C 13 42.145 0.4 A 50 LYS CG C 13 25.4 0.4 A 50 LYS N N 15 119.442 0.4 A 51 ALA H H 1 8.052 0.03 A 51 ALA HA H 1 4.29 0.03 A 51 ALA HB% H 1 1.414 0.03 A 51 ALA C C 13 179.409 0.4 A 51 ALA CA C 13 54.034 0.4 A 51 ALA CB C 13 18.62 0.4 A 51 ALA N N 15 122.532 0.4 A 52 THR H H 1 7.942 0.03 A 52 THR HA H 1 4.131 0.03 A 52 THR HB H 1 4.08 0.03 A 52 THR HG2% H 1 0.944 0.03 A 52 THR C C 13 176.233 0.4 A 52 THR CA C 13 64.645 0.4 A 52 THR CB C 13 69.313 0.4 A 52 THR CG2 C 13 21.9 0.4 A 52 THR N N 15 114.833 0.4 A 53 PHE H H 1 8.306 0.03 A 53 PHE HA H 1 4.947 0.03 A 53 PHE HBy H 1 3.271 0.03 A 53 PHE HBx H 1 2.994 0.03 A 53 PHE HDx H 1 7.099 0.03 A 53 PHE HDy H 1 7.099 0.03 A 53 PHE HEx H 1 7.145 0.03 A 53 PHE HEy H 1 7.145 0.03 A 53 PHE HZ H 1 7.268 0.03 A 53 PHE C C 13 178.346 0.4 A 53 PHE CA C 13 58.451 0.4 A 53 PHE CB C 13 38.541 0.4 A 53 PHE CDx C 13 130.978 0.4 A 53 PHE CDy C 13 130.978 0.4 A 53 PHE CEx C 13 130.754 0.4 A 53 PHE CEy C 13 130.754 0.4 A 53 PHE CZ C 13 129.947 0.4 A 53 PHE N N 15 119.136 0.4 A 54 SER H H 1 8.172 0.03 A 54 SER HA H 1 4.414 0.03 A 54 SER HBx H 1 4.139 0.03 A 54 SER HBy H 1 4.139 0.03 A 54 SER C C 13 176.742 0.4 A 54 SER CA C 13 61.662 0.4 A 54 SER CB C 13 63.035 0.4 A 54 SER N N 15 117.279 0.4 A 55 GLY H H 1 9.105 0.03 A 55 GLY HAx H 1 4.175 0.03 A 55 GLY HAy H 1 4.412 0.03 A 55 GLY C C 13 176.014 0.4 A 55 GLY CA C 13 46.779 0.4 A 55 GLY N N 15 110.672 0.4 A 56 PHE H H 1 7.817 0.03 A 56 PHE HA H 1 3.437 0.03 A 56 PHE HBy H 1 2.845 0.03 A 56 PHE HBx H 1 1.801 0.03 A 56 PHE HDx H 1 6.541 0.03 A 56 PHE HDy H 1 6.541 0.03 A 56 PHE HEx H 1 7.085 0.03 A 56 PHE HEy H 1 7.085 0.03 A 56 PHE HZ H 1 6.913 0.03 A 56 PHE C C 13 176.199 0.4 A 56 PHE CA C 13 59.246 0.4 A 56 PHE CB C 13 37.653 0.4 A 56 PHE CDx C 13 132.629 0.4 A 56 PHE CDy C 13 132.629 0.4 A 56 PHE CEx C 13 130.306 0.4 A 56 PHE CEy C 13 130.306 0.4 A 56 PHE CZ C 13 129.26 0.4 A 56 PHE N N 15 121.382 0.4 A 57 THR H H 1 7.588 0.03 A 57 THR HA H 1 4.056 0.03 A 57 THR HB H 1 4.158 0.03 A 57 THR HG2% H 1 1.252 0.03 A 57 THR C C 13 176.274 0.4 A 57 THR CA C 13 65.856 0.4 A 57 THR CB C 13 68.437 0.4 A 57 THR CG2 C 13 22.237 0.4 A 57 THR N N 15 114.232 0.4 A 58 LYS H H 1 7.384 0.03 A 58 LYS HA H 1 4.038 0.03 A 58 LYS HBx H 1 1.916 0.03 A 58 LYS HBy H 1 1.916 0.03 A 58 LYS HDx H 1 1.741 0.03 A 58 LYS HDy H 1 1.741 0.03 A 58 LYS HEx H 1 3.042 0.03 A 58 LYS HEy H 1 3.042 0.03 A 58 LYS HGx H 1 1.518 0.03 A 58 LYS HGy H 1 1.518 0.03 A 58 LYS C C 13 178.895 0.4 A 58 LYS CA C 13 59.071 0.4 A 58 LYS CB C 13 32.162 0.4 A 58 LYS CD C 13 29.164 0.4 A 58 LYS CE C 13 42.112 0.4 A 58 LYS CG C 13 25.071 0.4 A 58 LYS N N 15 119.404 0.4 A 59 GLU H H 1 6.935 0.03 A 59 GLU HA H 1 4.424 0.03 A 59 GLU HBx H 1 1.668 0.03 A 59 GLU HBy H 1 1.668 0.03 A 59 GLU HGx H 1 2.284 0.03 A 59 GLU HGy H 1 2.284 0.03 A 59 GLU C C 13 178.04 0.4 A 59 GLU CA C 13 57.749 0.4 A 59 GLU CB C 13 29.583 0.4 A 59 GLU CG C 13 34.502 0.4 A 59 GLU N N 15 122.157 0.4 A 60 GLN H H 1 8.232 0.03 A 60 GLN HA H 1 3.316 0.03 A 60 GLN HBy H 1 1.808 0.03 A 60 GLN HBx H 1 1.533 0.03 A 60 GLN HE2y H 1 6.937 0.03 A 60 GLN HE2x H 1 6.379 0.03 A 60 GLN HGy H 1 1.539 0.03 A 60 GLN HGx H 1 1.361 0.03 A 60 GLN C C 13 178.559 0.4 A 60 GLN CA C 13 59.148 0.4 A 60 GLN CB C 13 28.624 0.4 A 60 GLN CG C 13 34.643 0.4 A 60 GLN N N 15 118.321 0.4 A 60 GLN NE2 N 15 110.927 0.4 A 61 GLN H H 1 7.344 0.03 A 61 GLN HA H 1 3.961 0.03 A 61 GLN HBx H 1 2.056 0.03 A 61 GLN HBy H 1 2.056 0.03 A 61 GLN HE2y H 1 7.354 0.03 A 61 GLN HE2x H 1 6.736 0.03 A 61 GLN HGy H 1 2.447 0.03 A 61 GLN HGx H 1 2.314 0.03 A 61 GLN C C 13 178.342 0.4 A 61 GLN CA C 13 58.114 0.4 A 61 GLN CB C 13 28.32 0.4 A 61 GLN CG C 13 33.708 0.4 A 61 GLN N N 15 116.092 0.4 A 61 GLN NE2 N 15 111.455 0.4 A 62 ARG H H 1 7.887 0.03 A 62 ARG HA H 1 3.965 0.03 A 62 ARG HBx H 1 1.896 0.03 A 62 ARG HBy H 1 1.896 0.03 A 62 ARG HDy H 1 3.372 0.03 A 62 ARG HDx H 1 3.023 0.03 A 62 ARG HE H 1 8.111 0.03 A 62 ARG HGy H 1 1.616 0.03 A 62 ARG HGx H 1 1.437 0.03 A 62 ARG C C 13 178.21 0.4 A 62 ARG CA C 13 59.551 0.4 A 62 ARG CB C 13 31.541 0.4 A 62 ARG CD C 13 43.28 0.4 A 62 ARG CG C 13 28.236 0.4 A 62 ARG N N 15 120.934 0.4 A 62 ARG NE N 15 83.188 0.4 A 63 LEU H H 1 8.005 0.03 A 63 LEU HA H 1 4.371 0.03 A 63 LEU HBx H 1 1.531 0.03 A 63 LEU HBy H 1 1.531 0.03 A 63 LEU HDx% H 1 0.837 0.03 A 63 LEU HDy% H 1 0.831 0.03 A 63 LEU HG H 1 1.531 0.03 A 63 LEU C C 13 177.509 0.4 A 63 LEU CA C 13 54.3 0.4 A 63 LEU CB C 13 43.306 0.4 A 63 LEU CDy C 13 25.855 0.4 A 63 LEU CDx C 13 22.037 0.4 A 63 LEU CG C 13 27.247 0.4 A 63 LEU N N 15 114.447 0.4 A 64 GLY H H 1 7.527 0.03 A 64 GLY HAx H 1 3.825 0.03 A 64 GLY HAy H 1 3.825 0.03 A 64 GLY C C 13 174.942 0.4 A 64 GLY CA C 13 46.859 0.4 A 64 GLY N N 15 110.578 0.4 A 65 ILE H H 1 7.806 0.03 A 65 ILE HA H 1 3.479 0.03 A 65 ILE HB H 1 1.216 0.03 A 65 ILE HD1% H 1 0.626 0.03 A 65 ILE HG1y H 1 1.383 0.03 A 65 ILE HG1x H 1 0.719 0.03 A 65 ILE HG2% H 1 0.303 0.03 A 65 ILE CA C 13 59.272 0.4 A 65 ILE CB C 13 39.706 0.4 A 65 ILE CD1 C 13 13.742 0.4 A 65 ILE CG2 C 13 16.156 0.4 A 65 ILE N N 15 121.55 0.4 A 66 PRO HA H 1 4.28 0.03 A 66 PRO HBy H 1 2.54 0.03 A 66 PRO HBx H 1 1.815 0.03 A 66 PRO HDx H 1 3.189 0.03 A 66 PRO HDy H 1 3.189 0.03 A 66 PRO HGx H 1 2.002 0.03 A 66 PRO HGy H 1 2.002 0.03 A 66 PRO C C 13 176.476 0.4 A 66 PRO CA C 13 62.721 0.4 A 66 PRO CB C 13 32.896 0.4 A 66 PRO CD C 13 50.366 0.4 A 66 PRO CG C 13 27.101 0.4 A 67 LYS H H 1 8.395 0.03 A 67 LYS HA H 1 3.887 0.03 A 67 LYS HBx H 1 1.734 0.03 A 67 LYS HBy H 1 1.734 0.03 A 67 LYS HEx H 1 2.973 0.03 A 67 LYS HEy H 1 2.973 0.03 A 67 LYS C C 13 175.962 0.4 A 67 LYS CA C 13 58.778 0.4 A 67 LYS CB C 13 32.72 0.4 A 67 LYS CD C 13 29.028 0.4 A 67 LYS CE C 13 42.062 0.4 A 67 LYS CG C 13 24.986 0.4 A 67 LYS N N 15 122.331 0.4 A 68 ASP H H 1 7.474 0.03 A 68 ASP HA H 1 4.691 0.03 A 68 ASP HBy H 1 2.739 0.03 A 68 ASP HBx H 1 2.428 0.03 A 68 ASP CA C 13 49.569 0.4 A 68 ASP CB C 13 42.462 0.4 A 68 ASP N N 15 115.763 0.4 A 69 PRO HA H 1 1.19 0.03 A 69 PRO HBy H 1 0.395 0.03 A 69 PRO HBx H 1 -0.304 0.03 A 69 PRO HDx H 1 3.435 0.03 A 69 PRO HDy H 1 3.435 0.03 A 69 PRO HGy H 1 1.059 0.03 A 69 PRO HGx H 1 0.762 0.03 A 69 PRO C C 13 177.394 0.4 A 69 PRO CA C 13 61.84 0.4 A 69 PRO CB C 13 30.035 0.4 A 69 PRO CD C 13 50.248 0.4 A 69 PRO CG C 13 27.433 0.4 A 70 ARG H H 1 7.941 0.03 A 70 ARG HA H 1 3.431 0.03 A 70 ARG HBy H 1 1.757 0.03 A 70 ARG HBx H 1 1.522 0.03 A 70 ARG HDy H 1 3.162 0.03 A 70 ARG HDx H 1 3.071 0.03 A 70 ARG HE H 1 7.844 0.03 A 70 ARG HGy H 1 1.587 0.03 A 70 ARG HGx H 1 1.511 0.03 A 70 ARG C C 13 178.74 0.4 A 70 ARG CA C 13 58.64 0.4 A 70 ARG CB C 13 28.708 0.4 A 70 ARG CD C 13 43.144 0.4 A 70 ARG CG C 13 28.666 0.4 A 70 ARG N N 15 116.087 0.4 A 70 ARG NE N 15 85.505 0.4 A 71 GLN H H 1 8.117 0.03 A 71 GLN HA H 1 4.433 0.03 A 71 GLN HBy H 1 2.482 0.03 A 71 GLN HBx H 1 2.038 0.03 A 71 GLN HE2y H 1 7.596 0.03 A 71 GLN HE2x H 1 6.804 0.03 A 71 GLN HGx H 1 2.298 0.03 A 71 GLN HGy H 1 2.298 0.03 A 71 GLN C C 13 179.589 0.4 A 71 GLN CA C 13 54.854 0.4 A 71 GLN CB C 13 29.071 0.4 A 71 GLN CG C 13 36.284 0.4 A 71 GLN N N 15 116.952 0.4 A 71 GLN NE2 N 15 112.584 0.4 A 72 TRP H H 1 7.607 0.03 A 72 TRP HA H 1 5.791 0.03 A 72 TRP HBy H 1 3.706 0.03 A 72 TRP HBx H 1 3.428 0.03 A 72 TRP HD1 H 1 6.349 0.03 A 72 TRP HE1 H 1 9.915 0.03 A 72 TRP HE3 H 1 7.252 0.03 A 72 TRP HH2 H 1 5.783 0.03 A 72 TRP HZ2 H 1 6.985 0.03 A 72 TRP HZ3 H 1 6.127 0.03 A 72 TRP C C 13 179.873 0.4 A 72 TRP CA C 13 55.475 0.4 A 72 TRP CB C 13 31.037 0.4 A 72 TRP CD1 C 13 122.846 0.4 A 72 TRP CE3 C 13 119.992 0.4 A 72 TRP CH2 C 13 125.477 0.4 A 72 TRP CZ2 C 13 112.614 0.4 A 72 TRP CZ3 C 13 122.238 0.4 A 72 TRP N N 15 120.756 0.4 A 72 TRP NE1 N 15 127.806 0.4 A 73 THR H H 1 11.122 0.03 A 73 THR HA H 1 4.772 0.03 A 73 THR HB H 1 4.76 0.03 A 73 THR HG2% H 1 1.434 0.03 A 73 THR C C 13 175.302 0.4 A 73 THR CA C 13 60.615 0.4 A 73 THR CB C 13 71.69 0.4 A 73 THR CG2 C 13 21.534 0.4 A 73 THR N N 15 121.743 0.4 A 74 GLU H H 1 9.446 0.03 A 74 GLU HA H 1 4.415 0.03 A 74 GLU HBx H 1 2.013 0.03 A 74 GLU HBy H 1 2.013 0.03 A 74 GLU HGx H 1 2.229 0.03 A 74 GLU HGy H 1 2.229 0.03 A 74 GLU C C 13 179.476 0.4 A 74 GLU CA C 13 59.665 0.4 A 74 GLU CB C 13 29.366 0.4 A 74 GLU CG C 13 36.259 0.4 A 74 GLU N N 15 118.686 0.4 A 75 THR H H 1 7.759 0.03 A 75 THR HA H 1 3.891 0.03 A 75 THR HB H 1 3.725 0.03 A 75 THR HG2% H 1 1.134 0.03 A 75 THR C C 13 174.998 0.4 A 75 THR CA C 13 66.477 0.4 A 75 THR CB C 13 68.371 0.4 A 75 THR CG2 C 13 22.035 0.4 A 75 THR N N 15 116.616 0.4 A 76 HIS H H 1 7.045 0.03 A 76 HIS HA H 1 4.25 0.03 A 76 HIS HBy H 1 3.482 0.03 A 76 HIS HBx H 1 2.244 0.03 A 76 HIS HD2 H 1 7.179 0.03 A 76 HIS HE1 H 1 7.913 0.03 A 76 HIS C C 13 177.431 0.4 A 76 HIS CA C 13 58.89 0.4 A 76 HIS CB C 13 31.142 0.4 A 76 HIS CD2 C 13 116.138 0.4 A 76 HIS CE1 C 13 138.21 0.4 A 76 HIS N N 15 123.042 0.4 A 77 VAL H H 1 8.281 0.03 A 77 VAL HA H 1 4.075 0.03 A 77 VAL HB H 1 2.683 0.03 A 77 VAL HGx% H 1 1.596 0.03 A 77 VAL HGy% H 1 1.682 0.03 A 77 VAL C C 13 177.762 0.4 A 77 VAL CA C 13 67.27 0.4 A 77 VAL CB C 13 32.83 0.4 A 77 VAL CGy C 13 23.682 0.4 A 77 VAL CGx C 13 23.251 0.4 A 77 VAL N N 15 116.419 0.4 A 78 ARG H H 1 7.839 0.03 A 78 ARG HA H 1 3.944 0.03 A 78 ARG HBx H 1 2.084 0.03 A 78 ARG HBy H 1 2.084 0.03 A 78 ARG HDx H 1 3.151 0.03 A 78 ARG HDy H 1 3.151 0.03 A 78 ARG HE H 1 6.966 0.03 A 78 ARG HGy H 1 1.701 0.03 A 78 ARG HGx H 1 1.522 0.03 A 78 ARG C C 13 177.921 0.4 A 78 ARG CA C 13 60.126 0.4 A 78 ARG CB C 13 29.441 0.4 A 78 ARG CD C 13 43.348 0.4 A 78 ARG CG C 13 27.43 0.4 A 78 ARG N N 15 119.347 0.4 A 78 ARG NE N 15 84.558 0.4 A 79 ASP H H 1 8.457 0.03 A 79 ASP HA H 1 4.419 0.03 A 79 ASP HBy H 1 2.89 0.03 A 79 ASP HBx H 1 2.508 0.03 A 79 ASP C C 13 179.489 0.4 A 79 ASP CA C 13 57.69 0.4 A 79 ASP CB C 13 40.537 0.4 A 79 ASP N N 15 119.31 0.4 A 80 TRP H H 1 8.487 0.03 A 80 TRP HA H 1 4.523 0.03 A 80 TRP HBy H 1 3.751 0.03 A 80 TRP HBx H 1 2.75 0.03 A 80 TRP HD1 H 1 6.046 0.03 A 80 TRP HE1 H 1 11.692 0.03 A 80 TRP HE3 H 1 8.064 0.03 A 80 TRP HH2 H 1 7.113 0.03 A 80 TRP HZ2 H 1 7.784 0.03 A 80 TRP HZ3 H 1 7.083 0.03 A 80 TRP C C 13 176.46 0.4 A 80 TRP CA C 13 61.572 0.4 A 80 TRP CB C 13 27.954 0.4 A 80 TRP CD1 C 13 126.285 0.4 A 80 TRP CE3 C 13 121.61 0.4 A 80 TRP CH2 C 13 123.598 0.4 A 80 TRP CZ2 C 13 114.487 0.4 A 80 TRP CZ3 C 13 120.289 0.4 A 80 TRP N N 15 124.4 0.4 A 80 TRP NE1 N 15 135.302 0.4 A 81 VAL H H 1 8.678 0.03 A 81 VAL HA H 1 2.655 0.03 A 81 VAL HB H 1 1.848 0.03 A 81 VAL HGx% H 1 0.356 0.03 A 81 VAL HGy% H 1 0.356 0.03 A 81 VAL C C 13 178.273 0.4 A 81 VAL CA C 13 66.853 0.4 A 81 VAL CB C 13 31.096 0.4 A 81 VAL CGx C 13 22.143 0.4 A 81 VAL CGy C 13 23.125 0.4 A 81 VAL N N 15 119.57 0.4 A 82 MET H H 1 8.836 0.03 A 82 MET HA H 1 4.054 0.03 A 82 MET HBy H 1 2.563 0.03 A 82 MET HBx H 1 2.26 0.03 A 82 MET HE% H 1 1.821 0.03 A 82 MET HGx H 1 2.075 0.03 A 82 MET HGy H 1 2.075 0.03 A 82 MET C C 13 178.554 0.4 A 82 MET CA C 13 59.265 0.4 A 82 MET CB C 13 32.445 0.4 A 82 MET CE C 13 16.832 0.4 A 82 MET N N 15 117.626 0.4 A 83 TRP H H 1 8.155 0.03 A 83 TRP HA H 1 4.127 0.03 A 83 TRP HBy H 1 4.03 0.03 A 83 TRP HBx H 1 3.496 0.03 A 83 TRP HD1 H 1 7.344 0.03 A 83 TRP HE1 H 1 10.239 0.03 A 83 TRP HE3 H 1 7.65 0.03 A 83 TRP HH2 H 1 7.199 0.03 A 83 TRP HZ2 H 1 7.354 0.03 A 83 TRP C C 13 177.786 0.4 A 83 TRP CA C 13 62.373 0.4 A 83 TRP CB C 13 27.423 0.4 A 83 TRP CD1 C 13 127.747 0.4 A 83 TRP CE3 C 13 121.64 0.4 A 83 TRP CH2 C 13 123.826 0.4 A 83 TRP CZ2 C 13 114.539 0.4 A 83 TRP N N 15 121.567 0.4 A 83 TRP NE1 N 15 130.407 0.4 A 84 ALA H H 1 8.49 0.03 A 84 ALA HA H 1 3.013 0.03 A 84 ALA HB% H 1 1.174 0.03 A 84 ALA C C 13 179.576 0.4 A 84 ALA CA C 13 54.942 0.4 A 84 ALA CB C 13 17.957 0.4 A 84 ALA N N 15 123.468 0.4 A 85 VAL H H 1 8.817 0.03 A 85 VAL HA H 1 3.364 0.03 A 85 VAL HB H 1 2.315 0.03 A 85 VAL HGx% H 1 1.014 0.03 A 85 VAL HGy% H 1 1.065 0.03 A 85 VAL C C 13 178.625 0.4 A 85 VAL CA C 13 66.519 0.4 A 85 VAL CB C 13 31.712 0.4 A 85 VAL CGy C 13 23.539 0.4 A 85 VAL CGx C 13 20.786 0.4 A 85 VAL N N 15 117.695 0.4 A 86 ASN H H 1 7.488 0.03 A 86 ASN HA H 1 4.424 0.03 A 86 ASN HBx H 1 2.71 0.03 A 86 ASN HBy H 1 2.71 0.03 A 86 ASN HD2y H 1 7.692 0.03 A 86 ASN HD2x H 1 6.807 0.03 A 86 ASN C C 13 177.261 0.4 A 86 ASN CA C 13 55.829 0.4 A 86 ASN CB C 13 39.031 0.4 A 86 ASN N N 15 115.941 0.4 A 86 ASN ND2 N 15 114.083 0.4 A 87 GLU H H 1 8.426 0.03 A 87 GLU HA H 1 3.539 0.03 A 87 GLU HBy H 1 0.524 0.03 A 87 GLU HBx H 1 0.163 0.03 A 87 GLU HGy H 1 1.436 0.03 A 87 GLU HGx H 1 0.952 0.03 A 87 GLU C C 13 178.255 0.4 A 87 GLU CA C 13 58.492 0.4 A 87 GLU CB C 13 28.557 0.4 A 87 GLU CG C 13 33.894 0.4 A 87 GLU N N 15 122.355 0.4 A 88 PHE H H 1 7.773 0.03 A 88 PHE HA H 1 4.648 0.03 A 88 PHE HBy H 1 3.419 0.03 A 88 PHE HBx H 1 2.527 0.03 A 88 PHE HDx H 1 7.154 0.03 A 88 PHE HDy H 1 7.154 0.03 A 88 PHE HEx H 1 6.961 0.03 A 88 PHE HEy H 1 6.961 0.03 A 88 PHE HZ H 1 7.294 0.03 A 88 PHE C C 13 174.466 0.4 A 88 PHE CA C 13 56.578 0.4 A 88 PHE CB C 13 38.464 0.4 A 88 PHE CDx C 13 131.359 0.4 A 88 PHE CDy C 13 131.359 0.4 A 88 PHE CEx C 13 129.955 0.4 A 88 PHE CEy C 13 129.955 0.4 A 88 PHE CZ C 13 129.927 0.4 A 88 PHE N N 15 112.425 0.4 A 89 SER H H 1 7.38 0.03 A 89 SER HA H 1 4.108 0.03 A 89 SER HBx H 1 3.994 0.03 A 89 SER HBy H 1 3.994 0.03 A 89 SER C C 13 177.07 0.4 A 89 SER CA C 13 58.4 0.4 A 89 SER CB C 13 61.054 0.4 A 89 SER N N 15 114.927 0.4 A 90 LEU H H 1 7.961 0.03 A 90 LEU HA H 1 4.392 0.03 A 90 LEU HBy H 1 1.799 0.03 A 90 LEU HBx H 1 1.324 0.03 A 90 LEU HDx% H 1 0.715 0.03 A 90 LEU HDy% H 1 0.89 0.03 A 90 LEU HG H 1 1.796 0.03 A 90 LEU C C 13 177.274 0.4 A 90 LEU CA C 13 54.155 0.4 A 90 LEU CB C 13 41.807 0.4 A 90 LEU CDy C 13 24.759 0.4 A 90 LEU CDx C 13 22.587 0.4 A 90 LEU CG C 13 26.372 0.4 A 90 LEU N N 15 116.675 0.4 A 91 LYS H H 1 8.543 0.03 A 91 LYS HA H 1 4.612 0.03 A 91 LYS HBx H 1 1.774 0.03 A 91 LYS HBy H 1 1.774 0.03 A 91 LYS HDx H 1 1.635 0.03 A 91 LYS HDy H 1 1.635 0.03 A 91 LYS HEx H 1 2.984 0.03 A 91 LYS HEy H 1 2.984 0.03 A 91 LYS HGx H 1 1.447 0.03 A 91 LYS HGy H 1 1.447 0.03 A 91 LYS C C 13 176.918 0.4 A 91 LYS CA C 13 55.188 0.4 A 91 LYS CB C 13 34.484 0.4 A 91 LYS CD C 13 28.809 0.4 A 91 LYS CE C 13 42.247 0.4 A 91 LYS CG C 13 24.65 0.4 A 91 LYS N N 15 122.928 0.4 A 92 GLY H H 1 8.468 0.03 A 92 GLY HAy H 1 3.972 0.03 A 92 GLY HAx H 1 3.672 0.03 A 92 GLY C C 13 174.678 0.4 A 92 GLY CA C 13 45.883 0.4 A 92 GLY N N 15 108.283 0.4 A 93 VAL H H 1 8.101 0.03 A 93 VAL HA H 1 3.613 0.03 A 93 VAL HB H 1 1.721 0.03 A 93 VAL HGx% H 1 0.569 0.03 A 93 VAL HGy% H 1 0.25 0.03 A 93 VAL C C 13 174.72 0.4 A 93 VAL CA C 13 63.666 0.4 A 93 VAL CB C 13 31.363 0.4 A 93 VAL CGy C 13 23.544 0.4 A 93 VAL CGx C 13 20.751 0.4 A 93 VAL N N 15 120.706 0.4 A 94 ASP H H 1 8.972 0.03 A 94 ASP HA H 1 4.787 0.03 A 94 ASP HBy H 1 2.959 0.03 A 94 ASP HBx H 1 2.564 0.03 A 94 ASP C C 13 177.458 0.4 A 94 ASP CA C 13 51.844 0.4 A 94 ASP CB C 13 41.018 0.4 A 94 ASP N N 15 128.337 0.4 A 95 PHE H H 1 8.502 0.03 A 95 PHE HA H 1 4.153 0.03 A 95 PHE HBy H 1 3.212 0.03 A 95 PHE HBx H 1 3.042 0.03 A 95 PHE HDx H 1 7.292 0.03 A 95 PHE HDy H 1 7.292 0.03 A 95 PHE HZ H 1 7.294 0.03 A 95 PHE C C 13 178.638 0.4 A 95 PHE CA C 13 61.659 0.4 A 95 PHE CB C 13 38.383 0.4 A 95 PHE CDx C 13 131.124 0.4 A 95 PHE CDy C 13 131.124 0.4 A 95 PHE CZ C 13 129.927 0.4 A 95 PHE N N 15 123.783 0.4 A 96 GLN H H 1 8.542 0.03 A 96 GLN HA H 1 4.243 0.03 A 96 GLN HBx H 1 2.216 0.03 A 96 GLN HBy H 1 2.216 0.03 A 96 GLN HE2y H 1 7.724 0.03 A 96 GLN HE2x H 1 6.852 0.03 A 96 GLN HGx H 1 2.464 0.03 A 96 GLN HGy H 1 2.464 0.03 A 96 GLN C C 13 178.776 0.4 A 96 GLN CA C 13 58.304 0.4 A 96 GLN CB C 13 28.271 0.4 A 96 GLN CG C 13 34.291 0.4 A 96 GLN N N 15 118.455 0.4 A 96 GLN NE2 N 15 112.403 0.4 A 97 LYS H H 1 7.526 0.03 A 97 LYS HA H 1 3.974 0.03 A 97 LYS HBx H 1 1.809 0.03 A 97 LYS HBy H 1 1.809 0.03 A 97 LYS HDx H 1 1.612 0.03 A 97 LYS HDy H 1 1.612 0.03 A 97 LYS HEx H 1 2.966 0.03 A 97 LYS HEy H 1 2.966 0.03 A 97 LYS HGx H 1 1.318 0.03 A 97 LYS HGy H 1 1.318 0.03 A 97 LYS C C 13 175.98 0.4 A 97 LYS CA C 13 57.562 0.4 A 97 LYS CB C 13 32.223 0.4 A 97 LYS CD C 13 28.962 0.4 A 97 LYS CE C 13 42.329 0.4 A 97 LYS CG C 13 25.839 0.4 A 97 LYS N N 15 116.893 0.4 A 98 PHE H H 1 7.265 0.03 A 98 PHE HA H 1 4.391 0.03 A 98 PHE HBy H 1 3.671 0.03 A 98 PHE HBx H 1 2.749 0.03 A 98 PHE HDx H 1 7.138 0.03 A 98 PHE HDy H 1 7.138 0.03 A 98 PHE HEx H 1 6.976 0.03 A 98 PHE HEy H 1 6.976 0.03 A 98 PHE HZ H 1 6.625 0.03 A 98 PHE C C 13 175.01 0.4 A 98 PHE CA C 13 58.007 0.4 A 98 PHE CB C 13 39.218 0.4 A 98 PHE CDx C 13 131.386 0.4 A 98 PHE CDy C 13 131.386 0.4 A 98 PHE CEx C 13 131.055 0.4 A 98 PHE CEy C 13 131.055 0.4 A 98 PHE CZ C 13 128.972 0.4 A 98 PHE N N 15 113.639 0.4 A 99 CYS H H 1 7.188 0.03 A 99 CYS HA H 1 4.72 0.03 A 99 CYS HBy H 1 3.056 0.03 A 99 CYS HBx H 1 2.854 0.03 A 99 CYS C C 13 172.776 0.4 A 99 CYS CA C 13 59.116 0.4 A 99 CYS CB C 13 25.51 0.4 A 99 CYS N N 15 119.75 0.4 A 100 MET H H 1 8.434 0.03 A 100 MET HA H 1 4.758 0.03 A 100 MET HBy H 1 2.347 0.03 A 100 MET HBx H 1 2.065 0.03 A 100 MET HE% H 1 1.995 0.03 A 100 MET HGy H 1 2.8 0.03 A 100 MET HGx H 1 2.199 0.03 A 100 MET C C 13 172.302 0.4 A 100 MET CA C 13 54.441 0.4 A 100 MET CB C 13 35.239 0.4 A 100 MET CE C 13 17.695 0.4 A 100 MET CG C 13 30.514 0.4 A 100 MET N N 15 123.62 0.4 A 101 SER H H 1 8.507 0.03 A 101 SER HA H 1 4.517 0.03 A 101 SER HBx H 1 4.194 0.03 A 101 SER HBy H 1 4.194 0.03 A 101 SER C C 13 174.994 0.4 A 101 SER CA C 13 57.856 0.4 A 101 SER CB C 13 64.81 0.4 A 101 SER N N 15 112.777 0.4 A 102 GLY H H 1 8.838 0.03 A 102 GLY HAy H 1 4.649 0.03 A 102 GLY HAx H 1 3.701 0.03 A 102 GLY C C 13 176.096 0.4 A 102 GLY CA C 13 47.512 0.4 A 102 GLY N N 15 107.927 0.4 A 103 ALA H H 1 8.422 0.03 A 103 ALA HA H 1 3.867 0.03 A 103 ALA HB% H 1 1.458 0.03 A 103 ALA C C 13 180.483 0.4 A 103 ALA CA C 13 55.355 0.4 A 103 ALA CB C 13 17.758 0.4 A 103 ALA N N 15 122.989 0.4 A 104 ALA H H 1 7.602 0.03 A 104 ALA HA H 1 4.057 0.03 A 104 ALA HB% H 1 1.485 0.03 A 104 ALA C C 13 180.24 0.4 A 104 ALA CA C 13 54.704 0.4 A 104 ALA CB C 13 18.515 0.4 A 104 ALA N N 15 121.225 0.4 A 105 LEU H H 1 8.314 0.03 A 105 LEU HA H 1 4.307 0.03 A 105 LEU HBy H 1 2.094 0.03 A 105 LEU HBx H 1 1.753 0.03 A 105 LEU HDx% H 1 1.381 0.03 A 105 LEU HDy% H 1 1.259 0.03 A 105 LEU HG H 1 1.889 0.03 A 105 LEU C C 13 179.3 0.4 A 105 LEU CA C 13 58.272 0.4 A 105 LEU CB C 13 43.859 0.4 A 105 LEU CDx C 13 25.08 0.4 A 105 LEU CDy C 13 27.648 0.4 A 105 LEU CG C 13 26.781 0.4 A 105 LEU N N 15 120.827 0.4 A 106 CYS H H 1 8.237 0.03 A 106 CYS HA H 1 3.951 0.03 A 106 CYS HBx H 1 2.664 0.03 A 106 CYS HBy H 1 2.664 0.03 A 106 CYS C C 13 175.325 0.4 A 106 CYS CA C 13 62.927 0.4 A 106 CYS CB C 13 27.251 0.4 A 106 CYS N N 15 112.565 0.4 A 107 ALA H H 1 7.346 0.03 A 107 ALA HA H 1 4.361 0.03 A 107 ALA HB% H 1 1.465 0.03 A 107 ALA C C 13 178.183 0.4 A 107 ALA CA C 13 52.226 0.4 A 107 ALA CB C 13 19.141 0.4 A 107 ALA N N 15 119.69 0.4 A 108 LEU H H 1 7.318 0.03 A 108 LEU HA H 1 4.152 0.03 A 108 LEU HBy H 1 2.208 0.03 A 108 LEU HBx H 1 1.474 0.03 A 108 LEU HDx% H 1 1.044 0.03 A 108 LEU HDy% H 1 0.854 0.03 A 108 LEU HG H 1 2.304 0.03 A 108 LEU C C 13 179.168 0.4 A 108 LEU CA C 13 56.891 0.4 A 108 LEU CB C 13 43.605 0.4 A 108 LEU CDy C 13 27.255 0.4 A 108 LEU CDx C 13 22.899 0.4 A 108 LEU CG C 13 26.305 0.4 A 108 LEU N N 15 119.25 0.4 A 109 GLY H H 1 7.929 0.03 A 109 GLY HAx H 1 2.528 0.03 A 109 GLY HAy H 1 2.528 0.03 A 109 GLY C C 13 172.939 0.4 A 109 GLY CA C 13 44.182 0.4 A 109 GLY N N 15 105.777 0.4 A 110 LYS H H 1 8.115 0.03 A 110 LYS HA H 1 2.17 0.03 A 110 LYS HBy H 1 1.229 0.03 A 110 LYS HBx H 1 0.976 0.03 A 110 LYS HDy H 1 1.293 0.03 A 110 LYS HDx H 1 1.212 0.03 A 110 LYS HEy H 1 2.632 0.03 A 110 LYS HEx H 1 2.486 0.03 A 110 LYS HGy H 1 0.614 0.03 A 110 LYS HGx H 1 -0.361 0.03 A 110 LYS C C 13 177.237 0.4 A 110 LYS CA C 13 60.447 0.4 A 110 LYS CB C 13 33.098 0.4 A 110 LYS CD C 13 29.624 0.4 A 110 LYS CE C 13 42.376 0.4 A 110 LYS CG C 13 24.664 0.4 A 110 LYS N N 15 121.337 0.4 A 111 GLU H H 1 8.403 0.03 A 111 GLU HA H 1 3.721 0.03 A 111 GLU HBx H 1 1.952 0.03 A 111 GLU HBy H 1 1.952 0.03 A 111 GLU HGy H 1 2.308 0.03 A 111 GLU HGx H 1 2.201 0.03 A 111 GLU C C 13 179.419 0.4 A 111 GLU CA C 13 60.576 0.4 A 111 GLU CB C 13 28.603 0.4 A 111 GLU CG C 13 36.928 0.4 A 111 GLU N N 15 114.971 0.4 A 112 CYS H H 1 7.888 0.03 A 112 CYS HA H 1 4.126 0.03 A 112 CYS HBy H 1 2.902 0.03 A 112 CYS HBx H 1 2.832 0.03 A 112 CYS C C 13 177.188 0.4 A 112 CYS CA C 13 62.206 0.4 A 112 CYS CB C 13 27.203 0.4 A 112 CYS N N 15 116.735 0.4 A 113 PHE H H 1 8.44 0.03 A 113 PHE HA H 1 3.947 0.03 A 113 PHE HBx H 1 3.055 0.03 A 113 PHE HBy H 1 3.055 0.03 A 113 PHE HDx H 1 7.268 0.03 A 113 PHE HDy H 1 7.268 0.03 A 113 PHE HEx H 1 7.775 0.03 A 113 PHE HEy H 1 7.775 0.03 A 113 PHE HZ H 1 7.578 0.03 A 113 PHE C C 13 177.452 0.4 A 113 PHE CA C 13 61.831 0.4 A 113 PHE CB C 13 39.882 0.4 A 113 PHE CDx C 13 132.671 0.4 A 113 PHE CDy C 13 132.671 0.4 A 113 PHE CEx C 13 131.236 0.4 A 113 PHE CEy C 13 131.236 0.4 A 113 PHE CZ C 13 128.85 0.4 A 113 PHE N N 15 122.463 0.4 A 114 LEU H H 1 8.488 0.03 A 114 LEU HA H 1 3.939 0.03 A 114 LEU HBy H 1 1.817 0.03 A 114 LEU HBx H 1 1.471 0.03 A 114 LEU HDx% H 1 0.748 0.03 A 114 LEU HDy% H 1 0.822 0.03 A 114 LEU C C 13 179.315 0.4 A 114 LEU CA C 13 57.336 0.4 A 114 LEU CB C 13 41.093 0.4 A 114 LEU CDy C 13 25.942 0.4 A 114 LEU CDx C 13 22.037 0.4 A 114 LEU N N 15 116.551 0.4 A 115 GLU H H 1 7.035 0.03 A 115 GLU HA H 1 4.124 0.03 A 115 GLU HBx H 1 2.047 0.03 A 115 GLU HBy H 1 2.047 0.03 A 115 GLU HGy H 1 2.517 0.03 A 115 GLU HGx H 1 2.251 0.03 A 115 GLU C C 13 177.769 0.4 A 115 GLU CA C 13 57.68 0.4 A 115 GLU CB C 13 29.697 0.4 A 115 GLU CG C 13 36.369 0.4 A 115 GLU N N 15 114.984 0.4 A 116 LEU H H 1 7.68 0.03 A 116 LEU HA H 1 3.776 0.03 A 116 LEU HBy H 1 1.303 0.03 A 116 LEU HBx H 1 0.607 0.03 A 116 LEU HDx% H 1 0.271 0.03 A 116 LEU HDy% H 1 0.487 0.03 A 116 LEU HG H 1 1.585 0.03 A 116 LEU C C 13 174.952 0.4 A 116 LEU CA C 13 55.77 0.4 A 116 LEU CB C 13 41.641 0.4 A 116 LEU CDy C 13 25.225 0.4 A 116 LEU CDx C 13 21.819 0.4 A 116 LEU CG C 13 25.291 0.4 A 116 LEU N N 15 117.938 0.4 A 117 ALA H H 1 7.158 0.03 A 117 ALA HA H 1 4.897 0.03 A 117 ALA HB% H 1 1.174 0.03 A 117 ALA CA C 13 48.957 0.4 A 117 ALA CB C 13 20.166 0.4 A 117 ALA N N 15 117.411 0.4 A 118 PRO HA H 1 4.547 0.03 A 118 PRO HBy H 1 2.485 0.03 A 118 PRO HBx H 1 1.79 0.03 A 118 PRO HDy H 1 3.85 0.03 A 118 PRO HDx H 1 3.138 0.03 A 118 PRO HGx H 1 2.038 0.03 A 118 PRO HGy H 1 2.038 0.03 A 118 PRO C C 13 176.803 0.4 A 118 PRO CA C 13 62.441 0.4 A 118 PRO CB C 13 32.541 0.4 A 118 PRO CD C 13 50.385 0.4 A 118 PRO CG C 13 27.627 0.4 A 119 ASP H H 1 8.593 0.03 A 119 ASP HA H 1 4.271 0.03 A 119 ASP HBy H 1 2.495 0.03 A 119 ASP HBx H 1 2.327 0.03 A 119 ASP C C 13 177.435 0.4 A 119 ASP CA C 13 56.139 0.4 A 119 ASP CB C 13 40.399 0.4 A 119 ASP N N 15 122.772 0.4 A 120 PHE H H 1 8.605 0.03 A 120 PHE HA H 1 4.368 0.03 A 120 PHE HBx H 1 3.426 0.03 A 120 PHE HBy H 1 3.426 0.03 A 120 PHE HDx H 1 7.284 0.03 A 120 PHE HDy H 1 7.284 0.03 A 120 PHE HEx H 1 7.377 0.03 A 120 PHE HEy H 1 7.377 0.03 A 120 PHE HZ H 1 7.268 0.03 A 120 PHE C C 13 177.343 0.4 A 120 PHE CA C 13 61.944 0.4 A 120 PHE CB C 13 37.651 0.4 A 120 PHE CDx C 13 131.979 0.4 A 120 PHE CDy C 13 131.979 0.4 A 120 PHE CEx C 13 131.568 0.4 A 120 PHE CEy C 13 131.568 0.4 A 120 PHE CZ C 13 129.947 0.4 A 120 PHE N N 15 119.129 0.4 A 121 VAL H H 1 8.181 0.03 A 121 VAL HA H 1 3.663 0.03 A 121 VAL HB H 1 2.005 0.03 A 121 VAL HGx% H 1 1.102 0.03 A 121 VAL HGy% H 1 0.825 0.03 A 121 VAL C C 13 177.673 0.4 A 121 VAL CA C 13 65.371 0.4 A 121 VAL CB C 13 32.151 0.4 A 121 VAL CGy C 13 22.64 0.4 A 121 VAL CGx C 13 22.052 0.4 A 121 VAL N N 15 120.487 0.4 A 122 GLY H H 1 7.935 0.03 A 122 GLY HAx H 1 3.735 0.03 A 122 GLY HAy H 1 4.314 0.03 A 122 GLY C C 13 174.787 0.4 A 122 GLY CA C 13 47.973 0.4 A 122 GLY N N 15 104.054 0.4 A 123 ASP H H 1 8.036 0.03 A 123 ASP HA H 1 4.372 0.03 A 123 ASP HBx H 1 2.693 0.03 A 123 ASP HBy H 1 2.693 0.03 A 123 ASP C C 13 178.771 0.4 A 123 ASP CA C 13 57.986 0.4 A 123 ASP CB C 13 40.833 0.4 A 123 ASP N N 15 119.204 0.4 A 124 ILE H H 1 7.421 0.03 A 124 ILE HA H 1 3.944 0.03 A 124 ILE HB H 1 1.816 0.03 A 124 ILE HD1% H 1 0.561 0.03 A 124 ILE HG1x H 1 0.901 0.03 A 124 ILE HG1y H 1 0.901 0.03 A 124 ILE HG2% H 1 0.599 0.03 A 124 ILE C C 13 176.992 0.4 A 124 ILE CA C 13 64.419 0.4 A 124 ILE CB C 13 38.212 0.4 A 124 ILE CD1 C 13 13.246 0.4 A 124 ILE CG1 C 13 28.811 0.4 A 124 ILE CG2 C 13 17.041 0.4 A 124 ILE N N 15 119.558 0.4 A 125 LEU H H 1 7.568 0.03 A 125 LEU HA H 1 4.339 0.03 A 125 LEU HBx H 1 2.127 0.03 A 125 LEU HBy H 1 2.344 0.03 A 125 LEU HDx% H 1 0.547 0.03 A 125 LEU HDy% H 1 0.295 0.03 A 125 LEU HG H 1 1.781 0.03 A 125 LEU C C 13 178.522 0.4 A 125 LEU CA C 13 57.913 0.4 A 125 LEU CB C 13 41.323 0.4 A 125 LEU CDy C 13 26.068 0.4 A 125 LEU CDx C 13 21.4 0.4 A 125 LEU N N 15 117.633 0.4 A 126 TRP H H 1 8.898 0.03 A 126 TRP HA H 1 3.741 0.03 A 126 TRP HBx H 1 3.242 0.03 A 126 TRP HBy H 1 3.242 0.03 A 126 TRP HD1 H 1 7.077 0.03 A 126 TRP HE1 H 1 9.759 0.03 A 126 TRP HE3 H 1 6.238 0.03 A 126 TRP HH2 H 1 7.101 0.03 A 126 TRP HZ2 H 1 7.337 0.03 A 126 TRP HZ3 H 1 6.795 0.03 A 126 TRP C C 13 174.574 0.4 A 126 TRP CA C 13 60.132 0.4 A 126 TRP CB C 13 29.383 0.4 A 126 TRP CD1 C 13 126.485 0.4 A 126 TRP CE3 C 13 120.576 0.4 A 126 TRP CH2 C 13 123.919 0.4 A 126 TRP CZ2 C 13 114.163 0.4 A 126 TRP CZ3 C 13 121.917 0.4 A 126 TRP N N 15 118.855 0.4 A 126 TRP NE1 N 15 128.019 0.4 A 127 GLU H H 1 7.957 0.03 A 127 GLU HA H 1 3.877 0.03 A 127 GLU HBy H 1 2.338 0.03 A 127 GLU HBx H 1 2.28 0.03 A 127 GLU HGx H 1 2.548 0.03 A 127 GLU HGy H 1 2.548 0.03 A 127 GLU C C 13 179.13 0.4 A 127 GLU CA C 13 58.933 0.4 A 127 GLU CB C 13 28.998 0.4 A 127 GLU CG C 13 35.618 0.4 A 127 GLU N N 15 116.652 0.4 A 128 HIS H H 1 7.84 0.03 A 128 HIS HA H 1 3.744 0.03 A 128 HIS HBy H 1 3.419 0.03 A 128 HIS HBx H 1 2.751 0.03 A 128 HIS HD2 H 1 6.359 0.03 A 128 HIS HE1 H 1 6.776 0.03 A 128 HIS C C 13 177.19 0.4 A 128 HIS CA C 13 57.362 0.4 A 128 HIS CB C 13 32.729 0.4 A 128 HIS CD2 C 13 116.373 0.4 A 128 HIS CE1 C 13 136.889 0.4 A 128 HIS N N 15 118.331 0.4 A 129 LEU H H 1 8.089 0.03 A 129 LEU HA H 1 3.234 0.03 A 129 LEU HBy H 1 1.238 0.03 A 129 LEU HBx H 1 0.883 0.03 A 129 LEU HDx% H 1 0.011 0.03 A 129 LEU HDy% H 1 0.077 0.03 A 129 LEU HG H 1 1.158 0.03 A 129 LEU C C 13 179.798 0.4 A 129 LEU CA C 13 57.721 0.4 A 129 LEU CB C 13 40.861 0.4 A 129 LEU CDy C 13 23.87 0.4 A 129 LEU CDx C 13 23.34 0.4 A 129 LEU CG C 13 26.242 0.4 A 129 LEU N N 15 118.911 0.4 A 130 GLU H H 1 7.936 0.03 A 130 GLU HA H 1 3.451 0.03 A 130 GLU HBx H 1 1.715 0.03 A 130 GLU HBy H 1 1.715 0.03 A 130 GLU HGx H 1 1.412 0.03 A 130 GLU HGy H 1 1.412 0.03 A 130 GLU C C 13 176.447 0.4 A 130 GLU CA C 13 59.612 0.4 A 130 GLU CB C 13 29.49 0.4 A 130 GLU CG C 13 33.945 0.4 A 130 GLU N N 15 118.399 0.4 A 131 ILE H H 1 7.601 0.03 A 131 ILE HA H 1 3.616 0.03 A 131 ILE HB H 1 2.062 0.03 A 131 ILE HD1% H 1 0.959 0.03 A 131 ILE HG1y H 1 1.785 0.03 A 131 ILE HG1x H 1 1.205 0.03 A 131 ILE HG2% H 1 0.976 0.03 A 131 ILE C C 13 179.292 0.4 A 131 ILE CA C 13 64.872 0.4 A 131 ILE CB C 13 38.295 0.4 A 131 ILE CD1 C 13 14.592 0.4 A 131 ILE CG1 C 13 29.708 0.4 A 131 ILE CG2 C 13 17.257 0.4 A 131 ILE N N 15 120.719 0.4 A 132 LEU H H 1 8.344 0.03 A 132 LEU HA H 1 3.914 0.03 A 132 LEU HBy H 1 1.397 0.03 A 132 LEU HBx H 1 0.947 0.03 A 132 LEU HDx% H 1 -0.125 0.03 A 132 LEU HDy% H 1 0.869 0.03 A 132 LEU HG H 1 1.282 0.03 A 132 LEU C C 13 178.888 0.4 A 132 LEU CA C 13 57.138 0.4 A 132 LEU CB C 13 42.328 0.4 A 132 LEU CDy C 13 25.207 0.4 A 132 LEU CDx C 13 22.572 0.4 A 132 LEU CG C 13 26.29 0.4 A 132 LEU N N 15 120.281 0.4 A 133 GLN H H 1 7.316 0.03 A 133 GLN HA H 1 3.897 0.03 A 133 GLN HBx H 1 1.76 0.03 A 133 GLN HBy H 1 1.76 0.03 A 133 GLN HE2y H 1 6.663 0.03 A 133 GLN HE2x H 1 5.981 0.03 A 133 GLN HGy H 1 2.141 0.03 A 133 GLN HGx H 1 1.756 0.03 A 133 GLN C C 13 176.632 0.4 A 133 GLN CA C 13 57.434 0.4 A 133 GLN CB C 13 31.414 0.4 A 133 GLN CG C 13 36.168 0.4 A 133 GLN N N 15 114.148 0.4 A 133 GLN NE2 N 15 109.697 0.4 A 134 LYS H H 1 7.383 0.03 A 134 LYS HA H 1 4.173 0.03 A 134 LYS HBx H 1 1.827 0.03 A 134 LYS HBy H 1 1.827 0.03 A 134 LYS HDx H 1 1.611 0.03 A 134 LYS HDy H 1 1.611 0.03 A 134 LYS HEx H 1 2.921 0.03 A 134 LYS HEy H 1 2.921 0.03 A 134 LYS HGx H 1 1.438 0.03 A 134 LYS HGy H 1 1.438 0.03 A 134 LYS C C 13 176.727 0.4 A 134 LYS CA C 13 56.933 0.4 A 134 LYS CB C 13 33.107 0.4 A 134 LYS CD C 13 29.182 0.4 A 134 LYS CE C 13 42.145 0.4 A 134 LYS CG C 13 25.024 0.4 A 134 LYS N N 15 119.405 0.4 A 135 GLU H H 1 7.965 0.03 A 135 GLU HA H 1 4.181 0.03 A 135 GLU HBx H 1 1.971 0.03 A 135 GLU HBy H 1 1.971 0.03 A 135 GLU HGx H 1 2.264 0.03 A 135 GLU HGy H 1 2.264 0.03 A 135 GLU C C 13 176.151 0.4 A 135 GLU CA C 13 56.898 0.4 A 135 GLU CB C 13 30.351 0.4 A 135 GLU CG C 13 36.262 0.4 A 135 GLU N N 15 121.275 0.4 A 136 ASP H H 1 8.303 0.03 A 136 ASP HA H 1 4.593 0.03 A 136 ASP HBx H 1 2.6 0.03 A 136 ASP HBy H 1 2.6 0.03 A 136 ASP C C 13 175.769 0.4 A 136 ASP CA C 13 54.23 0.4 A 136 ASP CB C 13 41.197 0.4 A 136 ASP N N 15 121.511 0.4 A 137 VAL H H 1 7.935 0.03 A 137 VAL HA H 1 4.074 0.03 A 137 VAL HB H 1 2.076 0.03 A 137 VAL HGx% H 1 0.901 0.03 A 137 VAL HGy% H 1 0.896 0.03 A 137 VAL C C 13 175.238 0.4 A 137 VAL CA C 13 62.349 0.4 A 137 VAL CB C 13 32.629 0.4 A 137 VAL CGy C 13 21.305 0.4 A 137 VAL CGx C 13 20.449 0.4 A 137 VAL N N 15 120.435 0.4 A 138 LYS H H 1 7.876 0.03 A 138 LYS CA C 13 57.555 0.4 A 138 LYS CB C 13 33.724 0.4 A 138 LYS N N 15 130.276 0.4 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-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 78 ARG H A 74 GLU O 1.0 1.5 2.2 2 2 A 74 GLU O A 78 ARG N 1.0 2.5 3.2 3 3 A 79 ASP H A 75 THR O 1.0 1.5 2.2 4 4 A 75 THR O A 79 ASP N 1.0 2.5 3.2 5 5 A 80 TRP H A 76 HIS O 1.0 1.5 2.2 6 6 A 76 HIS O A 80 TRP N 1.0 2.5 3.2 7 7 A 81 VAL H A 77 VAL O 1.0 1.5 2.2 8 8 A 77 VAL O A 81 VAL N 1.0 2.5 3.2 9 9 A 82 MET H A 78 ARG O 1.0 1.5 2.2 10 10 A 78 ARG O A 82 MET N 1.0 2.5 3.2 11 11 A 83 TRP H A 79 ASP O 1.0 1.5 2.2 12 12 A 79 ASP O A 83 TRP N 1.0 2.5 3.2 13 13 A 84 ALA H A 80 TRP O 1.0 1.5 2.2 14 14 A 80 TRP O A 84 ALA N 1.0 2.5 3.2 15 15 A 85 VAL H A 81 VAL O 1.0 1.5 2.2 16 16 A 81 VAL O A 85 VAL N 1.0 2.5 3.2 17 17 A 86 ASN H A 82 MET O 1.0 1.5 2.2 18 18 A 82 MET O A 86 ASN N 1.0 2.5 3.2 19 19 A 87 GLU H A 83 TRP O 1.0 1.5 2.2 20 20 A 83 TRP O A 87 GLU N 1.0 2.5 3.2 21 21 A 88 PHE H A 84 ALA O 1.0 1.5 2.2 22 22 A 84 ALA O A 88 PHE N 1.0 2.5 3.2 23 23 A 106 CYS H A 102 GLY O 1.0 1.5 2.2 24 24 A 102 GLY O A 106 CYS N 1.0 2.5 3.2 25 25 A 107 ALA H A 103 ALA O 1.0 1.5 2.2 26 26 A 103 ALA O A 107 ALA N 1.0 2.5 3.2 27 27 A 108 LEU H A 104 ALA O 1.0 1.5 2.2 28 28 A 104 ALA O A 108 LEU N 1.0 2.5 3.2 29 29 A 114 LEU H A 110 LYS O 1.0 1.5 2.2 30 30 A 110 LYS O A 114 LEU N 1.0 2.5 3.2 31 31 A 115 GLU H A 111 GLU O 1.0 1.5 2.2 32 32 A 111 GLU O A 115 GLU N 1.0 2.5 3.2 33 33 A 116 LEU H A 112 CYS O 1.0 1.5 2.2 34 34 A 112 CYS O A 116 LEU N 1.0 2.5 3.2 35 35 A 117 ALA H A 113 PHE O 1.0 1.5 2.2 36 36 A 113 PHE O A 117 ALA N 1.0 2.5 3.2 37 37 A 127 GLU H A 123 ASP O 1.0 1.5 2.2 38 38 A 123 ASP O A 127 GLU N 1.0 2.5 3.2 39 39 A 128 HIS H A 124 ILE O 1.0 1.5 2.2 40 40 A 124 ILE O A 128 HIS N 1.0 2.5 3.2 41 41 A 129 LEU H A 125 LEU O 1.0 1.5 2.2 42 42 A 125 LEU O A 129 LEU N 1.0 2.5 3.2 43 43 A 130 GLU H A 126 TRP O 1.0 1.5 2.2 44 44 A 126 TRP O A 130 GLU N 1.0 2.5 3.2 45 45 A 131 ILE H A 127 GLU O 1.0 1.5 2.2 46 46 A 127 GLU O A 131 ILE N 1.0 2.5 3.2 47 47 A 132 LEU H A 128 HIS O 1.0 1.5 2.2 48 48 A 128 HIS O A 132 LEU N 1.0 2.5 3.2 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_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 34 VAL C A 35 PRO N A 35 PRO CA A 35 PRO C 1.0 -99.0 -19.0 PHI 2 2 A 36 LEU C A 37 LEU N A 37 LEU CA A 37 LEU C 1.0 -172.0 0.0 PHI 3 3 A 42 LYS C A 43 GLU N A 43 GLU CA A 43 GLU C 1.0 -111.0 -31.0 PHI 4 4 A 43 GLU C A 44 MET N A 44 MET CA A 44 MET C 1.0 -107.0 -27.0 PHI 5 5 A 44 MET C A 45 MET N A 45 MET CA A 45 MET C 1.0 -104.0 -24.0 PHI 6 6 A 45 MET C A 46 SER N A 46 SER CA A 46 SER C 1.0 -103.0 -23.0 PHI 7 7 A 46 SER C A 47 GLN N A 47 GLN CA A 47 GLN C 1.0 -103.0 -23.0 PHI 8 8 A 47 GLN C A 48 ALA N A 48 ALA CA A 48 ALA C 1.0 -105.0 -25.0 PHI 9 9 A 48 ALA C A 49 LEU N A 49 LEU CA A 49 LEU C 1.0 -102.0 -22.0 PHI 10 10 A 49 LEU C A 50 LYS N A 50 LYS CA A 50 LYS C 1.0 -104.0 -24.0 PHI 11 11 A 50 LYS C A 51 ALA N A 51 ALA CA A 51 ALA C 1.0 -104.0 -24.0 PHI 12 12 A 51 ALA C A 52 THR N A 52 THR CA A 52 THR C 1.0 -108.0 -28.0 PHI 13 13 A 52 THR C A 53 PHE N A 53 PHE CA A 53 PHE C 1.0 -141.0 -13.0 PHI 14 14 A 53 PHE C A 54 SER N A 54 SER CA A 54 SER C 1.0 -103.0 -23.0 PHI 15 15 A 54 SER C A 55 GLY N A 55 GLY CA A 55 GLY C 1.0 -107.0 -27.0 PHI 16 16 A 55 GLY C A 56 PHE N A 56 PHE CA A 56 PHE C 1.0 -101.0 -21.0 PHI 17 17 A 56 PHE C A 57 THR N A 57 THR CA A 57 THR C 1.0 -104.0 -24.0 PHI 18 18 A 57 THR C A 58 LYS N A 58 LYS CA A 58 LYS C 1.0 -102.0 -22.0 PHI 19 19 A 58 LYS C A 59 GLU N A 59 GLU CA A 59 GLU C 1.0 -107.0 -27.0 PHI 20 20 A 59 GLU C A 60 GLN N A 60 GLN CA A 60 GLN C 1.0 -99.0 -19.0 PHI 21 21 A 60 GLN C A 61 GLN N A 61 GLN CA A 61 GLN C 1.0 -103.0 -23.0 PHI 22 22 A 61 GLN C A 62 ARG N A 62 ARG CA A 62 ARG C 1.0 -104.0 -24.0 PHI 23 23 A 62 ARG C A 63 LEU N A 63 LEU CA A 63 LEU C 1.0 -146.0 -36.0 PHI 24 24 A 64 GLY C A 65 ILE N A 65 ILE CA A 65 ILE C 1.0 -213.0 3.0 PHI 25 25 A 65 ILE C A 66 PRO N A 66 PRO CA A 66 PRO C 1.0 -99.0 -19.0 PHI 26 26 A 71 GLN C A 72 TRP N A 72 TRP CA A 72 TRP C 1.0 -171.0 -63.0 PHI 27 27 A 72 TRP C A 73 THR N A 73 THR CA A 73 THR C 1.0 -194.0 -4.0 PHI 28 28 A 73 THR C A 74 GLU N A 74 GLU CA A 74 GLU C 1.0 -105.0 -25.0 PHI 29 29 A 74 GLU C A 75 THR N A 75 THR CA A 75 THR C 1.0 -106.0 -26.0 PHI 30 30 A 75 THR C A 76 HIS N A 76 HIS CA A 76 HIS C 1.0 -102.0 -22.0 PHI 31 31 A 76 HIS C A 77 VAL N A 77 VAL CA A 77 VAL C 1.0 -103.0 -23.0 PHI 32 32 A 77 VAL C A 78 ARG N A 78 ARG CA A 78 ARG C 1.0 -103.0 -23.0 PHI 33 33 A 78 ARG C A 79 ASP N A 79 ASP CA A 79 ASP C 1.0 -108.0 -28.0 PHI 34 34 A 79 ASP C A 80 TRP N A 80 TRP CA A 80 TRP C 1.0 -107.0 -27.0 PHI 35 35 A 80 TRP C A 81 VAL N A 81 VAL CA A 81 VAL C 1.0 -103.0 -23.0 PHI 36 36 A 81 VAL C A 82 MET N A 82 MET CA A 82 MET C 1.0 -102.0 -22.0 PHI 37 37 A 82 MET C A 83 TRP N A 83 TRP CA A 83 TRP C 1.0 -103.0 -23.0 PHI 38 38 A 83 TRP C A 84 ALA N A 84 ALA CA A 84 ALA C 1.0 -99.0 -19.0 PHI 39 39 A 84 ALA C A 85 VAL N A 85 VAL CA A 85 VAL C 1.0 -102.0 -22.0 PHI 40 40 A 85 VAL C A 86 ASN N A 86 ASN CA A 86 ASN C 1.0 -102.0 -22.0 PHI 41 41 A 86 ASN C A 87 GLU N A 87 GLU CA A 87 GLU C 1.0 -99.0 -19.0 PHI 42 42 A 87 GLU C A 88 PHE N A 88 PHE CA A 88 PHE C 1.0 -157.0 -25.0 PHI 43 43 A 92 GLY C A 93 VAL N A 93 VAL CA A 93 VAL C 1.0 -139.0 -35.0 PHI 44 44 A 93 VAL C A 94 ASP N A 94 ASP CA A 94 ASP C 1.0 -181.0 -27.0 PHI 45 45 A 94 ASP C A 95 PHE N A 95 PHE CA A 95 PHE C 1.0 -100.0 -20.0 PHI 46 46 A 95 PHE C A 96 GLN N A 96 GLN CA A 96 GLN C 1.0 -105.0 -25.0 PHI 47 47 A 96 GLN C A 97 LYS N A 97 LYS CA A 97 LYS C 1.0 -105.0 -25.0 PHI 48 48 A 102 GLY C A 103 ALA N A 103 ALA CA A 103 ALA C 1.0 -101.0 -21.0 PHI 49 49 A 103 ALA C A 104 ALA N A 104 ALA CA A 104 ALA C 1.0 -104.0 -24.0 PHI 50 50 A 104 ALA C A 105 LEU N A 105 LEU CA A 105 LEU C 1.0 -99.0 -19.0 PHI 51 51 A 105 LEU C A 106 CYS N A 106 CYS CA A 106 CYS C 1.0 -108.0 -28.0 PHI 52 52 A 106 CYS C A 107 ALA N A 107 ALA CA A 107 ALA C 1.0 -132.0 -36.0 PHI 53 53 A 109 GLY C A 110 LYS N A 110 LYS CA A 110 LYS C 1.0 -100.0 -20.0 PHI 54 54 A 110 LYS C A 111 GLU N A 111 GLU CA A 111 GLU C 1.0 -103.0 -23.0 PHI 55 55 A 111 GLU C A 112 CYS N A 112 CYS CA A 112 CYS C 1.0 -104.0 -24.0 PHI 56 56 A 112 CYS C A 113 PHE N A 113 PHE CA A 113 PHE C 1.0 -105.0 -25.0 PHI 57 57 A 113 PHE C A 114 LEU N A 114 LEU CA A 114 LEU C 1.0 -100.0 -20.0 PHI 58 58 A 117 ALA C A 118 PRO N A 118 PRO CA A 118 PRO C 1.0 -103.0 -23.0 PHI 59 59 A 119 ASP C A 120 PHE N A 120 PHE CA A 120 PHE C 1.0 -106.0 -26.0 PHI 60 60 A 120 PHE C A 121 VAL N A 121 VAL CA A 121 VAL C 1.0 -105.0 -25.0 PHI 61 61 A 121 VAL C A 122 GLY N A 122 GLY CA A 122 GLY C 1.0 -104.0 -24.0 PHI 62 62 A 122 GLY C A 123 ASP N A 123 ASP CA A 123 ASP C 1.0 -101.0 -21.0 PHI 63 63 A 123 ASP C A 124 ILE N A 124 ILE CA A 124 ILE C 1.0 -107.0 -27.0 PHI 64 64 A 124 ILE C A 125 LEU N A 125 LEU CA A 125 LEU C 1.0 -105.0 -25.0 PHI 65 65 A 125 LEU C A 126 TRP N A 126 TRP CA A 126 TRP C 1.0 -102.0 -22.0 PHI 66 66 A 126 TRP C A 127 GLU N A 127 GLU CA A 127 GLU C 1.0 -107.0 -27.0 PHI 67 67 A 127 GLU C A 128 HIS N A 128 HIS CA A 128 HIS C 1.0 -115.0 -29.0 PHI 68 68 A 128 HIS C A 129 LEU N A 129 LEU CA A 129 LEU C 1.0 -96.0 -16.0 PHI 69 69 A 129 LEU C A 130 GLU N A 130 GLU CA A 130 GLU C 1.0 -103.0 -23.0 PHI 70 70 A 130 GLU C A 131 ILE N A 131 ILE CA A 131 ILE C 1.0 -103.0 -23.0 PHI 71 71 A 131 ILE C A 132 LEU N A 132 LEU CA A 132 LEU C 1.0 -103.0 -23.0 PHI 72 72 A 132 LEU C A 133 GLN N A 133 GLN CA A 133 GLN C 1.0 -114.0 -34.0 PHI 73 73 A 35 PRO N A 35 PRO CA A 35 PRO C A 36 LEU N 1.0 105.0 185.0 PSI 74 74 A 39 PRO N A 39 PRO CA A 39 PRO C A 40 SER N 1.0 96.0 180.0 PSI 75 75 A 42 LYS N A 42 LYS CA A 42 LYS C A 43 GLU N 1.0 -39.0 -19.0 PSI 76 76 A 43 GLU N A 43 GLU CA A 43 GLU C A 44 MET N 1.0 -40.0 -20.0 PSI 77 77 A 44 MET N A 44 MET CA A 44 MET C A 45 MET N 1.0 -47.0 -27.0 PSI 78 78 A 45 MET N A 45 MET CA A 45 MET C A 46 SER N 1.0 -49.0 -29.0 PSI 79 79 A 46 SER N A 46 SER CA A 46 SER C A 47 GLN N 1.0 -47.0 -27.0 PSI 80 80 A 47 GLN N A 47 GLN CA A 47 GLN C A 48 ALA N 1.0 -52.0 -32.0 PSI 81 81 A 48 ALA N A 48 ALA CA A 48 ALA C A 49 LEU N 1.0 -49.0 -29.0 PSI 82 82 A 49 LEU N A 49 LEU CA A 49 LEU C A 50 LYS N 1.0 -53.0 -33.0 PSI 83 83 A 50 LYS N A 50 LYS CA A 50 LYS C A 51 ALA N 1.0 -48.0 -28.0 PSI 84 84 A 51 ALA N A 51 ALA CA A 51 ALA C A 52 THR N 1.0 -51.0 -31.0 PSI 85 85 A 52 THR N A 52 THR CA A 52 THR C A 53 PHE N 1.0 -49.0 -29.0 PSI 86 86 A 53 PHE N A 53 PHE CA A 53 PHE C A 54 SER N 1.0 -134.0 98.0 PSI 87 87 A 54 SER N A 54 SER CA A 54 SER C A 55 GLY N 1.0 -70.0 10.0 PSI 88 88 A 55 GLY N A 55 GLY CA A 55 GLY C A 56 PHE N 1.0 -81.0 -1.0 PSI 89 89 A 56 PHE N A 56 PHE CA A 56 PHE C A 57 THR N 1.0 -103.0 31.0 PSI 90 90 A 57 THR N A 57 THR CA A 57 THR C A 58 LYS N 1.0 -83.0 19.0 PSI 91 91 A 58 LYS N A 58 LYS CA A 58 LYS C A 59 GLU N 1.0 -80.0 0.0 PSI 92 92 A 59 GLU N A 59 GLU CA A 59 GLU C A 60 GLN N 1.0 -78.0 2.0 PSI 93 93 A 60 GLN N A 60 GLN CA A 60 GLN C A 61 GLN N 1.0 -85.0 -5.0 PSI 94 94 A 61 GLN N A 61 GLN CA A 61 GLN C A 62 ARG N 1.0 -76.0 4.0 PSI 95 95 A 62 ARG N A 62 ARG CA A 62 ARG C A 63 LEU N 1.0 -75.0 5.0 PSI 96 96 A 63 LEU N A 63 LEU CA A 63 LEU C A 64 GLY N 1.0 -55.0 47.0 PSI 97 97 A 65 ILE N A 65 ILE CA A 65 ILE C A 66 PRO N 1.0 57.0 217.0 PSI 98 98 A 66 PRO N A 66 PRO CA A 66 PRO C A 67 LYS N 1.0 102.0 182.0 PSI 99 99 A 72 TRP N A 72 TRP CA A 72 TRP C A 73 THR N 1.0 75.0 207.0 PSI 100 100 A 73 THR N A 73 THR CA A 73 THR C A 74 GLU N 1.0 107.0 211.0 PSI 101 101 A 74 GLU N A 74 GLU CA A 74 GLU C A 75 THR N 1.0 -74.0 6.0 PSI 102 102 A 75 THR N A 75 THR CA A 75 THR C A 76 HIS N 1.0 -80.0 0.0 PSI 103 103 A 76 HIS N A 76 HIS CA A 76 HIS C A 77 VAL N 1.0 -86.0 -6.0 PSI 104 104 A 77 VAL N A 77 VAL CA A 77 VAL C A 78 ARG N 1.0 -83.0 -3.0 PSI 105 105 A 78 ARG N A 78 ARG CA A 78 ARG C A 79 ASP N 1.0 -78.0 2.0 PSI 106 106 A 79 ASP N A 79 ASP CA A 79 ASP C A 80 TRP N 1.0 -76.0 4.0 PSI 107 107 A 80 TRP N A 80 TRP CA A 80 TRP C A 81 VAL N 1.0 -83.0 -3.0 PSI 108 108 A 81 VAL N A 81 VAL CA A 81 VAL C A 82 MET N 1.0 -83.0 -3.0 PSI 109 109 A 82 MET N A 82 MET CA A 82 MET C A 83 TRP N 1.0 -75.0 5.0 PSI 110 110 A 83 TRP N A 83 TRP CA A 83 TRP C A 84 ALA N 1.0 -84.0 -4.0 PSI 111 111 A 84 ALA N A 84 ALA CA A 84 ALA C A 85 VAL N 1.0 -82.0 -2.0 PSI 112 112 A 85 VAL N A 85 VAL CA A 85 VAL C A 86 ASN N 1.0 -80.0 0.0 PSI 113 113 A 86 ASN N A 86 ASN CA A 86 ASN C A 87 GLU N 1.0 -79.0 1.0 PSI 114 114 A 87 GLU N A 87 GLU CA A 87 GLU C A 88 PHE N 1.0 -76.0 4.0 PSI 115 115 A 88 PHE N A 88 PHE CA A 88 PHE C A 89 SER N 1.0 -54.0 54.0 PSI 116 116 A 93 VAL N A 93 VAL CA A 93 VAL C A 94 ASP N 1.0 89.0 169.0 PSI 117 117 A 94 ASP N A 94 ASP CA A 94 ASP C A 95 PHE N 1.0 17.0 205.0 PSI 118 118 A 95 PHE N A 95 PHE CA A 95 PHE C A 96 GLN N 1.0 -71.0 9.0 PSI 119 119 A 96 GLN N A 96 GLN CA A 96 GLN C A 97 LYS N 1.0 -78.0 2.0 PSI 120 120 A 97 LYS N A 97 LYS CA A 97 LYS C A 98 PHE N 1.0 -85.0 29.0 PSI 121 121 A 103 ALA N A 103 ALA CA A 103 ALA C A 104 ALA N 1.0 -83.0 5.0 PSI 122 122 A 104 ALA N A 104 ALA CA A 104 ALA C A 105 LEU N 1.0 -78.0 2.0 PSI 123 123 A 105 LEU N A 105 LEU CA A 105 LEU C A 106 CYS N 1.0 -86.0 -6.0 PSI 124 124 A 106 CYS N A 106 CYS CA A 106 CYS C A 107 ALA N 1.0 -77.0 19.0 PSI 125 125 A 107 ALA N A 107 ALA CA A 107 ALA C A 108 LEU N 1.0 -114.0 62.0 PSI 126 126 A 110 LYS N A 110 LYS CA A 110 LYS C A 111 GLU N 1.0 -82.0 -2.0 PSI 127 127 A 111 GLU N A 111 GLU CA A 111 GLU C A 112 CYS N 1.0 -82.0 -2.0 PSI 128 128 A 112 CYS N A 112 CYS CA A 112 CYS C A 113 PHE N 1.0 -80.0 0.0 PSI 129 129 A 113 PHE N A 113 PHE CA A 113 PHE C A 114 LEU N 1.0 -81.0 -1.0 PSI 130 130 A 114 LEU N A 114 LEU CA A 114 LEU C A 115 GLU N 1.0 -78.0 2.0 PSI 131 131 A 118 PRO N A 118 PRO CA A 118 PRO C A 119 ASP N 1.0 109.0 189.0 PSI 132 132 A 120 PHE N A 120 PHE CA A 120 PHE C A 121 VAL N 1.0 -94.0 16.0 PSI 133 133 A 121 VAL N A 121 VAL CA A 121 VAL C A 122 GLY N 1.0 -82.0 2.0 PSI 134 134 A 122 GLY N A 122 GLY CA A 122 GLY C A 123 ASP N 1.0 -79.0 3.0 PSI 135 135 A 123 ASP N A 123 ASP CA A 123 ASP C A 124 ILE N 1.0 -83.0 -3.0 PSI 136 136 A 124 ILE N A 124 ILE CA A 124 ILE C A 125 LEU N 1.0 -83.0 -3.0 PSI 137 137 A 125 LEU N A 125 LEU CA A 125 LEU C A 126 TRP N 1.0 -79.0 1.0 PSI 138 138 A 126 TRP N A 126 TRP CA A 126 TRP C A 127 GLU N 1.0 -83.0 -3.0 PSI 139 139 A 127 GLU N A 127 GLU CA A 127 GLU C A 128 HIS N 1.0 -102.0 38.0 PSI 140 140 A 128 HIS N A 128 HIS CA A 128 HIS C A 129 LEU N 1.0 -82.0 12.0 PSI 141 141 A 129 LEU N A 129 LEU CA A 129 LEU C A 130 GLU N 1.0 -85.0 -5.0 PSI 142 142 A 130 GLU N A 130 GLU CA A 130 GLU C A 131 ILE N 1.0 -81.0 -1.0 PSI 143 143 A 131 ILE N A 131 ILE CA A 131 ILE C A 132 LEU N 1.0 -83.0 -3.0 PSI 144 144 A 132 LEU N A 132 LEU CA A 132 LEU C A 133 GLN N 1.0 -79.0 1.0 PSI 145 145 A 133 GLN N A 133 GLN CA A 133 GLN C A 134 LYS N 1.0 -86.0 14.0 PSI stop_ save_ save_CNS/XPLOR_dipolar_coupling_4 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_4 save_ save_CNS/XPLOR_dipolar_coupling_5 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_5 save_