data_nef_c30133_5kqj 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 BMRB 30122 PDB 5KQJ 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 ASP middle . . 3 A 3 THR middle . . 4 A 4 THR middle . . 5 A 5 GLN middle . . 6 A 6 VAL middle . . 7 A 7 THR middle . . 8 A 8 LEU middle . . 9 A 9 ILE middle . . 10 A 10 HIS middle . . 11 A 11 LYS middle . . 12 A 12 ILE middle . . 13 A 13 LEU middle . . 14 A 14 ALA middle . . 15 A 15 ALA middle . . 16 A 16 ALA middle . . 17 A 17 ASP middle . . 18 A 18 GLU middle . . 19 A 19 ARG middle . . 20 A 20 ASN middle . . 21 A 21 LEU middle . . 22 A 22 PRO middle . false 23 A 23 LEU middle . . 24 A 24 TRP middle . . 25 A 25 ILE middle . . 26 A 26 GLY middle . false 27 A 27 GLY middle . false 28 A 28 GLY middle . false 29 A 29 TRP middle . . 30 A 30 ALA middle . . 31 A 31 ILE middle . . 32 A 32 ASP middle . . 33 A 33 ALA middle . . 34 A 34 ARG middle . . 35 A 35 LEU middle . . 36 A 36 GLY middle . false 37 A 37 ARG middle . . 38 A 38 VAL middle . . 39 A 39 THR middle . . 40 A 40 ARG middle . . 41 A 41 LYS middle . . 42 A 42 HIS middle . . 43 A 43 ASP middle . . 44 A 44 ASP middle . . 45 A 45 ILE middle . . 46 A 46 ASP middle . . 47 A 47 LEU middle . . 48 A 48 THR middle . . 49 A 49 PHE middle . . 50 A 50 PRO middle . false 51 A 51 GLY middle . false 52 A 52 GLU middle . . 53 A 53 ARG middle . . 54 A 54 ARG middle . . 55 A 55 GLY middle . false 56 A 56 GLU middle . . 57 A 57 LEU middle . . 58 A 58 GLU middle . . 59 A 59 ALA middle . . 60 A 60 ILE middle . . 61 A 61 VAL middle . . 62 A 62 GLU middle . . 63 A 63 MET middle . . 64 A 64 LEU middle . . 65 A 65 GLY middle . false 66 A 66 GLY middle . false 67 A 67 ARG middle . . 68 A 68 VAL middle . . 69 A 69 MET middle . . 70 A 70 GLU middle . . 71 A 71 GLU middle . . 72 A 72 LEU middle . . 73 A 73 ASP middle . . 74 A 74 TYR middle . . 75 A 75 GLY middle . false 76 A 76 PHE middle . . 77 A 77 LEU middle . . 78 A 78 ALA middle . . 79 A 79 GLU middle . . 80 A 80 ILE middle . . 81 A 81 GLY middle . false 82 A 82 ASP middle . . 83 A 83 GLU middle . . 84 A 84 LEU middle . . 85 A 85 LEU middle . . 86 A 86 ASP middle . . 87 A 87 CYS middle . . 88 A 88 GLU middle . . 89 A 89 PRO middle . false 90 A 90 ALA middle . . 91 A 91 TRP middle . . 92 A 92 TRP middle . . 93 A 93 ALA middle . . 94 A 94 ASP middle . . 95 A 95 GLU middle . . 96 A 96 ALA middle . . 97 A 97 TYR middle . . 98 A 98 GLU middle . . 99 A 99 ILE middle . . 100 A 100 ALA middle . . 101 A 101 GLU middle . . 102 A 102 ALA middle . . 103 A 103 PRO middle . false 104 A 104 GLN middle . . 105 A 105 GLY middle . false 106 A 106 SER middle . . 107 A 107 CYS middle . . 108 A 108 PRO middle . false 109 A 109 GLU middle . . 110 A 110 ALA middle . . 111 A 111 ALA middle . . 112 A 112 GLU middle . . 113 A 113 GLY middle . false 114 A 114 VAL middle . . 115 A 115 ILE middle . . 116 A 116 ALA middle . . 117 A 117 GLY middle . false 118 A 118 ARG middle . . 119 A 119 PRO middle . false 120 A 120 VAL middle . . 121 A 121 ARG middle . . 122 A 122 CYS middle . . 123 A 123 ASN middle . . 124 A 124 SER middle . . 125 A 125 TRP middle . . 126 A 126 GLU middle . . 127 A 127 ALA middle . . 128 A 128 ILE middle . . 129 A 129 ILE middle . . 130 A 130 TRP middle . . 131 A 131 ASP middle . . 132 A 132 TYR middle . . 133 A 133 PHE middle . . 134 A 134 TYR middle . . 135 A 135 TYR middle . . 136 A 136 ALA middle . . 137 A 137 ASP middle . . 138 A 138 GLU middle . . 139 A 139 VAL middle . . 140 A 140 PRO middle . false 141 A 141 PRO middle . false 142 A 142 VAL middle . . 143 A 143 ASP middle . . 144 A 144 TRP middle . . 145 A 145 PRO middle . false 146 A 146 THR middle . . 147 A 147 LYS middle . . 148 A 148 HIS middle . . 149 A 149 ILE middle . . 150 A 150 GLU middle . . 151 A 151 SER middle . . 152 A 152 TYR middle . . 153 A 153 ARG middle . . 154 A 154 LEU middle . . 155 A 155 ALA middle . . 156 A 156 CYS middle . . 157 A 157 THR middle . . 158 A 158 SER middle . . 159 A 159 LEU middle . . 160 A 160 GLY middle . false 161 A 161 ALA middle . . 162 A 162 GLU middle . . 163 A 163 LYS middle . . 164 A 164 VAL middle . . 165 A 165 GLU middle . . 166 A 166 VAL middle . . 167 A 167 LEU middle . . 168 A 168 ARG middle . . 169 A 169 ALA middle . . 170 A 170 ALA middle . . 171 A 171 PHE middle . . 172 A 172 ARG middle . . 173 A 173 SER middle . . 174 A 174 ARG middle . . 175 A 175 TYR middle . . 176 A 176 ALA middle . . 177 A 177 ALA middle . . 178 A 178 LEU middle . . 179 A 179 GLU middle . . 180 A 180 HIS middle . . 181 A 181 HIS middle . . 182 A 182 HIS middle . . 183 A 183 HIS middle . . 184 A 184 HIS middle . . 185 A 185 HIS end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET H1 H 1 2.238 1.031 A 1 MET HA H 1 3.913 0.000 A 1 MET HB2 H 1 1.762 0.275 A 1 MET HB3 H 1 1.735 0.266 A 1 MET HE1 H 1 1.955 0.000 A 1 MET HE2 H 1 1.955 0.000 A 1 MET HE3 H 1 1.955 0.000 A 1 MET HG2 H 1 1.537 0.604 A 1 MET HG3 H 1 1.936 0.881 A 1 MET C C 13 172.899 0.000 A 1 MET CA C 13 62.665 0.036 A 1 MET CB C 13 30.866 0.029 A 1 MET CE C 13 19.751 0.186 A 1 MET CG C 13 26.795 0.028 A 2 ASP H H 1 6.149 0.507 A 2 ASP HA H 1 4.835 0.000 A 2 ASP HB2 H 1 3.703 0.472 A 2 ASP HB3 H 1 3.468 0.614 A 2 ASP C C 13 176.139 0.000 A 2 ASP CA C 13 53.056 0.191 A 2 ASP CB C 13 47.243 0.093 A 2 ASP N N 15 114.930 0.016 A 3 THR H H 1 8.954 2.026 A 3 THR HA H 1 4.456 0.000 A 3 THR HB H 1 3.213 0.000 A 3 THR HG21 H 1 1.276 0.017 A 3 THR HG22 H 1 1.276 0.017 A 3 THR HG23 H 1 1.276 0.017 A 3 THR C C 13 175.822 0.000 A 3 THR CA C 13 61.662 0.750 A 3 THR CB C 13 69.631 0.105 A 3 THR CG2 C 13 21.912 0.012 A 3 THR N N 15 121.376 0.007 A 4 THR H H 1 7.577 1.974 A 4 THR HA H 1 4.347 0.000 A 4 THR HB H 1 4.034 0.000 A 4 THR HG21 H 1 1.150 0.100 A 4 THR HG22 H 1 1.150 0.100 A 4 THR HG23 H 1 1.150 0.100 A 4 THR C C 13 176.648 0.000 A 4 THR CA C 13 65.330 0.065 A 4 THR CB C 13 69.123 0.068 A 4 THR CG2 C 13 21.539 0.432 A 4 THR N N 15 118.040 0.000 A 5 GLN H H 1 7.960 1.784 A 5 GLN HA H 1 4.319 0.000 A 5 GLN HB2 H 1 2.124 0.087 A 5 GLN HB3 H 1 1.969 0.204 A 5 GLN HE21 H 1 7.535 0.000 A 5 GLN HE22 H 1 6.792 0.000 A 5 GLN HG2 H 1 2.215 0.087 A 5 GLN HG3 H 1 2.171 0.108 A 5 GLN C C 13 177.410 0.000 A 5 GLN CA C 13 60.270 0.018 A 5 GLN CB C 13 29.628 0.102 A 5 GLN CG C 13 33.777 2.603 A 5 GLN N N 15 120.360 0.008 A 5 GLN NE2 N 15 112.622 0.001 A 6 VAL H H 1 7.041 1.921 A 6 VAL HA H 1 3.018 0.000 A 6 VAL HB H 1 1.990 0.054 A 6 VAL HG11 H 1 0.872 0.116 A 6 VAL HG12 H 1 0.872 0.116 A 6 VAL HG13 H 1 0.872 0.116 A 6 VAL HG21 H 1 0.691 0.261 A 6 VAL HG22 H 1 0.691 0.261 A 6 VAL HG23 H 1 0.691 0.261 A 6 VAL C C 13 176.457 0.000 A 6 VAL CA C 13 66.948 0.038 A 6 VAL CB C 13 31.839 0.243 A 6 VAL CG1 C 13 23.220 0.010 A 6 VAL CG2 C 13 21.518 0.005 A 6 VAL N N 15 117.727 0.007 A 7 THR H H 1 7.218 1.556 A 7 THR HA H 1 4.194 0.000 A 7 THR HB H 1 3.256 0.000 A 7 THR HG21 H 1 1.001 0.166 A 7 THR HG22 H 1 1.001 0.166 A 7 THR HG23 H 1 1.001 0.166 A 7 THR C C 13 176.489 0.000 A 7 THR CA C 13 66.181 0.091 A 7 THR CB C 13 68.679 0.058 A 7 THR CG2 C 13 21.940 0.001 A 7 THR N N 15 114.290 0.003 A 8 LEU H H 1 6.819 2.263 A 8 LEU HA H 1 4.061 0.000 A 8 LEU HB2 H 1 1.748 0.030 A 8 LEU HB3 H 1 1.706 0.051 A 8 LEU HD11 H 1 0.964 0.413 A 8 LEU HD12 H 1 0.964 0.413 A 8 LEU HD13 H 1 0.964 0.413 A 8 LEU HD21 H 1 0.987 0.356 A 8 LEU HD22 H 1 0.987 0.356 A 8 LEU HD23 H 1 0.987 0.356 A 8 LEU HG H 1 1.087 0.654 A 8 LEU C C 13 177.918 0.000 A 8 LEU CA C 13 58.244 0.060 A 8 LEU CB C 13 41.494 0.081 A 8 LEU CD1 C 13 23.539 0.014 A 8 LEU CD2 C 13 23.253 0.008 A 8 LEU CG C 13 25.332 0.015 A 8 LEU N N 15 121.919 0.007 A 9 ILE H H 1 7.348 2.215 A 9 ILE HA H 1 4.316 0.000 A 9 ILE HB H 1 2.125 0.610 A 9 ILE HD11 H 1 1.556 0.000 A 9 ILE HD12 H 1 1.556 0.000 A 9 ILE HD13 H 1 1.556 0.000 A 9 ILE HG12 H 1 1.294 0.755 A 9 ILE HG13 H 1 1.294 0.755 A 9 ILE HG21 H 1 1.611 0.000 A 9 ILE HG22 H 1 1.611 0.000 A 9 ILE HG23 H 1 1.611 0.000 A 9 ILE C C 13 177.601 0.000 A 9 ILE CA C 13 66.751 0.018 A 9 ILE CB C 13 37.842 0.053 A 9 ILE CD1 C 13 13.053 0.043 A 9 ILE CG1 C 13 30.828 0.089 A 9 ILE CG2 C 13 17.936 0.031 A 9 ILE N N 15 119.416 0.008 A 10 HIS H H 1 7.373 1.272 A 10 HIS HA H 1 3.995 0.000 A 10 HIS HB2 H 1 3.323 0.000 A 10 HIS HB3 H 1 3.065 0.000 A 10 HIS C C 13 177.521 0.000 A 10 HIS CA C 13 59.223 0.044 A 10 HIS CB C 13 31.452 0.070 A 10 HIS CD2 C 13 120.536 0.008 A 10 HIS CE1 C 13 137.393 0.000 A 10 HIS CG C 13 130.096 0.000 A 10 HIS N N 15 116.568 0.000 A 11 LYS H H 1 7.396 2.166 A 11 LYS HA H 1 5.285 0.000 A 11 LYS HB2 H 1 1.814 0.008 A 11 LYS HB3 H 1 5.676 10.488 A 11 LYS HD2 H 1 1.661 0.003 A 11 LYS HD3 H 1 1.637 0.018 A 11 LYS HE2 H 1 3.136 0.245 A 11 LYS HE3 H 1 3.099 0.227 A 11 LYS HG2 H 1 1.462 0.000 A 11 LYS HG3 H 1 1.400 0.000 A 11 LYS C C 13 180.015 0.000 A 11 LYS CA C 13 60.219 0.035 A 11 LYS CB C 13 33.479 0.086 A 11 LYS CD C 13 26.423 0.018 A 11 LYS CE C 13 43.416 0.000 A 11 LYS CG C 13 23.016 0.002 A 11 LYS N N 15 120.356 0.000 A 12 ILE H H 1 7.813 2.377 A 12 ILE HA H 1 5.179 0.000 A 12 ILE HB H 1 1.873 0.000 A 12 ILE HD11 H 1 0.598 0.304 A 12 ILE HD12 H 1 0.598 0.304 A 12 ILE HD13 H 1 0.598 0.304 A 12 ILE HG12 H 1 1.748 0.000 A 12 ILE HG13 H 1 1.748 0.000 A 12 ILE HG21 H 1 0.774 0.030 A 12 ILE HG22 H 1 0.774 0.030 A 12 ILE HG23 H 1 0.774 0.030 A 12 ILE C C 13 177.156 0.000 A 12 ILE CA C 13 65.455 0.227 A 12 ILE CB C 13 38.445 0.062 A 12 ILE CD1 C 13 24.603 0.058 A 12 ILE CG1 C 13 27.788 0.464 A 12 ILE CG2 C 13 24.965 0.031 A 12 ILE N N 15 121.527 0.000 A 13 LEU H H 1 6.561 2.122 A 13 LEU HA H 1 4.132 0.000 A 13 LEU HB2 H 1 2.795 0.000 A 13 LEU HB3 H 1 2.736 0.000 A 13 LEU HD11 H 1 0.771 0.283 A 13 LEU HD12 H 1 0.771 0.283 A 13 LEU HD13 H 1 0.771 0.283 A 13 LEU HD21 H 1 1.048 0.000 A 13 LEU HD22 H 1 1.048 0.000 A 13 LEU HD23 H 1 1.048 0.000 A 13 LEU HG H 1 2.103 0.000 A 13 LEU C C 13 175.853 0.000 A 13 LEU CA C 13 58.013 0.287 A 13 LEU CB C 13 40.514 1.013 A 13 LEU CD1 C 13 21.063 0.009 A 13 LEU CD2 C 13 20.130 0.002 A 13 LEU CG C 13 30.210 0.020 A 13 LEU N N 15 119.914 0.007 A 14 ALA H H 1 7.904 1.583 A 14 ALA HA H 1 4.323 0.000 A 14 ALA HB1 H 1 1.384 0.000 A 14 ALA HB2 H 1 1.384 0.000 A 14 ALA HB3 H 1 1.384 0.000 A 14 ALA C C 13 177.061 0.000 A 14 ALA CA C 13 52.253 0.153 A 14 ALA CB C 13 18.935 0.574 A 14 ALA N N 15 123.644 0.000 A 15 ALA H H 1 7.558 1.552 A 15 ALA HA H 1 4.249 0.000 A 15 ALA HB1 H 1 1.412 0.000 A 15 ALA HB2 H 1 1.412 0.000 A 15 ALA HB3 H 1 1.412 0.000 A 15 ALA C C 13 176.298 0.000 A 15 ALA CA C 13 52.072 0.417 A 15 ALA CB C 13 19.633 0.038 A 15 ALA N N 15 121.662 0.016 A 16 ALA H H 1 8.184 1.396 A 16 ALA HA H 1 4.433 0.000 A 16 ALA HB1 H 1 1.189 0.000 A 16 ALA HB2 H 1 1.189 0.000 A 16 ALA HB3 H 1 1.189 0.000 A 16 ALA C C 13 175.266 0.000 A 16 ALA CA C 13 51.816 0.331 A 16 ALA CB C 13 18.037 0.596 A 16 ALA N N 15 123.453 0.000 A 17 ASP H H 1 7.184 1.434 A 17 ASP HA H 1 4.620 0.000 A 17 ASP HB2 H 1 2.920 0.000 A 17 ASP HB3 H 1 2.850 0.000 A 17 ASP C C 13 176.870 0.000 A 17 ASP CA C 13 56.184 0.718 A 17 ASP CB C 13 41.199 0.300 A 17 ASP N N 15 118.301 0.000 A 18 GLU H H 1 7.131 1.572 A 18 GLU HA H 1 4.202 0.000 A 18 GLU HB2 H 1 1.801 0.034 A 18 GLU HB3 H 1 1.739 0.090 A 18 GLU HG2 H 1 1.994 0.000 A 18 GLU HG3 H 1 1.951 0.000 A 18 GLU C C 13 177.918 0.000 A 18 GLU CA C 13 58.730 0.521 A 18 GLU CB C 13 31.849 0.275 A 18 GLU CG C 13 35.372 0.004 A 18 GLU N N 15 120.398 0.001 A 19 ARG H H 1 6.693 1.610 A 19 ARG HA H 1 4.261 0.000 A 19 ARG HB2 H 1 1.884 0.112 A 19 ARG HB3 H 1 1.815 0.092 A 19 ARG HD2 H 1 3.573 0.000 A 19 ARG HD3 H 1 3.041 0.000 A 19 ARG HG2 H 1 1.423 0.000 A 19 ARG HG3 H 1 1.361 0.000 A 19 ARG C C 13 174.948 0.000 A 19 ARG CA C 13 58.267 0.178 A 19 ARG CB C 13 32.657 0.039 A 19 ARG CD C 13 49.088 0.497 A 19 ARG CG C 13 32.468 0.015 A 19 ARG N N 15 118.963 0.015 A 20 ASN H H 1 8.111 1.398 A 20 ASN HA H 1 5.261 0.000 A 20 ASN HB2 H 1 3.753 0.000 A 20 ASN HB3 H 1 3.714 0.000 A 20 ASN C C 13 174.487 0.000 A 20 ASN CA C 13 60.791 0.604 A 20 ASN CB C 13 36.608 0.725 A 20 ASN N N 15 123.614 0.000 A 21 LEU H H 1 7.645 1.983 A 21 LEU HB2 H 1 1.682 0.003 A 21 LEU CA C 13 60.872 0.015 A 21 LEU CB C 13 41.620 0.002 A 21 LEU N N 15 123.885 0.000 A 22 PRO HA H 1 4.949 0.000 A 22 PRO HB2 H 1 2.893 0.000 A 22 PRO HB3 H 1 2.854 0.000 A 22 PRO HD2 H 1 3.432 0.000 A 22 PRO HD3 H 1 3.393 0.000 A 22 PRO HG2 H 1 2.572 0.000 A 22 PRO HG3 H 1 1.603 0.000 A 22 PRO C C 13 175.059 0.000 A 22 PRO CA C 13 55.217 0.072 A 22 PRO CB C 13 31.867 0.034 A 22 PRO CD C 13 52.787 0.094 A 22 PRO CG C 13 25.088 0.005 A 23 LEU H H 1 7.555 2.555 A 23 LEU HA H 1 3.401 0.000 A 23 LEU HB2 H 1 2.705 0.000 A 23 LEU HB3 H 1 2.619 0.000 A 23 LEU HD11 H 1 1.431 0.000 A 23 LEU HD12 H 1 1.431 0.000 A 23 LEU HD13 H 1 1.431 0.000 A 23 LEU HD21 H 1 1.306 0.000 A 23 LEU HD22 H 1 1.306 0.000 A 23 LEU HD23 H 1 1.306 0.000 A 23 LEU HG H 1 1.118 0.692 A 23 LEU C C 13 176.393 0.000 A 23 LEU CA C 13 54.407 1.072 A 23 LEU CB C 13 41.135 0.408 A 23 LEU CD1 C 13 17.603 0.017 A 23 LEU CD2 C 13 17.448 0.021 A 23 LEU CG C 13 20.356 0.015 A 23 LEU N N 15 120.388 0.002 A 24 TRP H H 1 7.355 1.301 A 24 TRP HA H 1 4.230 0.000 A 24 TRP HB2 H 1 2.815 0.334 A 24 TRP HB3 H 1 2.700 0.361 A 24 TRP C C 13 176.044 0.000 A 24 TRP CA C 13 56.754 0.238 A 24 TRP CB C 13 30.361 0.182 A 24 TRP CD1 C 13 127.666 0.000 A 24 TRP CD2 C 13 126.914 0.000 A 24 TRP CE2 C 13 139.125 0.000 A 24 TRP N N 15 121.038 0.000 A 25 ILE H H 1 7.528 2.217 A 25 ILE HA H 1 4.448 0.000 A 25 ILE HB H 1 0.884 0.000 A 25 ILE HD11 H 1 0.251 0.000 A 25 ILE HD12 H 1 0.251 0.000 A 25 ILE HD13 H 1 0.251 0.000 A 25 ILE HG12 H 1 0.618 0.000 A 25 ILE HG13 H 1 0.618 0.000 A 25 ILE HG21 H 1 0.454 0.000 A 25 ILE HG22 H 1 0.454 0.000 A 25 ILE HG23 H 1 0.454 0.000 A 25 ILE C C 13 174.932 0.000 A 25 ILE CA C 13 60.358 0.265 A 25 ILE CB C 13 38.212 0.867 A 25 ILE CD1 C 13 18.430 0.050 A 25 ILE CG1 C 13 29.460 0.102 A 25 ILE CG2 C 13 18.743 0.013 A 25 ILE N N 15 122.055 0.000 A 26 GLY H H 1 8.285 0.670 A 26 GLY HA2 H 1 4.003 0.000 A 26 GLY HA3 H 1 3.768 0.000 A 26 GLY C C 13 175.520 0.000 A 26 GLY CA C 13 44.181 0.072 A 26 GLY N N 15 115.142 0.000 A 27 GLY H H 1 8.411 1.412 A 27 GLY HA2 H 1 4.011 0.000 A 27 GLY HA3 H 1 4.151 0.000 A 27 GLY C C 13 174.964 0.000 A 27 GLY CA C 13 46.592 0.104 A 27 GLY N N 15 107.904 0.000 A 28 GLY H H 1 8.274 1.254 A 28 GLY HA2 H 1 3.729 0.000 A 28 GLY HA3 H 1 3.694 0.000 A 28 GLY C C 13 174.360 0.000 A 28 GLY CA C 13 47.245 0.555 A 28 GLY N N 15 110.544 0.000 A 29 TRP H H 1 8.181 1.331 A 29 TRP HA H 1 5.105 0.000 A 29 TRP HB2 H 1 3.843 0.000 A 29 TRP HB3 H 1 2.862 0.000 A 29 TRP C C 13 175.663 0.000 A 29 TRP CA C 13 59.240 3.541 A 29 TRP CB C 13 40.320 0.750 A 29 TRP CD1 C 13 127.732 0.000 A 29 TRP CD2 C 13 127.637 0.000 A 29 TRP CE2 C 13 136.472 0.000 A 29 TRP N N 15 116.682 26.275 A 30 ALA H H 1 8.555 1.881 A 30 ALA HA H 1 4.132 0.000 A 30 ALA HB1 H 1 1.498 0.000 A 30 ALA HB2 H 1 1.498 0.000 A 30 ALA HB3 H 1 1.498 0.000 A 30 ALA C C 13 180.968 0.000 A 30 ALA CA C 13 54.896 0.251 A 30 ALA CB C 13 18.125 0.462 A 30 ALA N N 15 131.833 0.017 A 31 ILE H H 1 6.413 2.227 A 31 ILE HA H 1 3.862 0.000 A 31 ILE HB H 1 2.838 0.000 A 31 ILE HD11 H 1 1.048 0.000 A 31 ILE HD12 H 1 1.048 0.000 A 31 ILE HD13 H 1 1.048 0.000 A 31 ILE HG12 H 1 1.814 0.000 A 31 ILE HG13 H 1 1.814 0.000 A 31 ILE HG21 H 1 1.103 0.000 A 31 ILE HG22 H 1 1.103 0.000 A 31 ILE HG23 H 1 1.103 0.000 A 31 ILE C C 13 179.411 0.000 A 31 ILE CA C 13 66.303 0.442 A 31 ILE CB C 13 38.828 0.232 A 31 ILE CD1 C 13 14.514 0.073 A 31 ILE CG1 C 13 33.154 0.001 A 31 ILE CG2 C 13 19.588 0.001 A 31 ILE N N 15 121.059 0.009 A 32 ASP H H 1 7.856 1.086 A 32 ASP HA H 1 4.104 0.000 A 32 ASP HB2 H 1 2.611 0.000 A 32 ASP HB3 H 1 2.572 0.000 A 32 ASP C C 13 176.441 0.000 A 32 ASP CA C 13 54.745 0.128 A 32 ASP CB C 13 43.577 0.990 A 32 ASP N N 15 122.443 0.020 A 33 ALA H H 1 7.431 1.794 A 33 ALA HA H 1 4.175 0.000 A 33 ALA HB1 H 1 2.643 0.000 A 33 ALA HB2 H 1 2.643 0.000 A 33 ALA HB3 H 1 2.643 0.000 A 33 ALA C C 13 178.061 0.000 A 33 ALA CA C 13 56.147 3.101 A 33 ALA CB C 13 18.875 0.408 A 33 ALA N N 15 124.962 0.000 A 34 ARG H H 1 6.465 2.215 A 34 ARG HA H 1 5.097 0.000 A 34 ARG HB2 H 1 1.861 0.057 A 34 ARG HB3 H 1 1.802 0.056 A 34 ARG HD2 H 1 2.354 0.257 A 34 ARG HD3 H 1 2.305 0.256 A 34 ARG HG2 H 1 0.610 0.000 A 34 ARG HG3 H 1 0.571 0.000 A 34 ARG C C 13 177.346 0.000 A 34 ARG CA C 13 56.913 1.780 A 34 ARG CB C 13 32.261 0.110 A 34 ARG CD C 13 34.020 0.024 A 34 ARG CG C 13 22.221 0.003 A 34 ARG N N 15 118.180 0.000 A 35 LEU H H 1 7.095 1.988 A 35 LEU HA H 1 4.331 0.000 A 35 LEU HB2 H 1 2.916 0.000 A 35 LEU HB3 H 1 2.877 0.000 A 35 LEU HD11 H 1 1.095 0.000 A 35 LEU HD12 H 1 1.095 0.000 A 35 LEU HD13 H 1 1.095 0.000 A 35 LEU HD21 H 1 1.056 0.000 A 35 LEU HD22 H 1 1.056 0.000 A 35 LEU HD23 H 1 1.056 0.000 A 35 LEU HG H 1 3.041 0.000 A 35 LEU C C 13 175.281 0.000 A 35 LEU CA C 13 58.129 0.026 A 35 LEU CB C 13 38.951 0.463 A 35 LEU CD1 C 13 31.510 0.340 A 35 LEU CD2 C 13 31.339 0.130 A 35 LEU CG C 13 32.213 0.013 A 35 LEU N N 15 121.713 0.002 A 36 GLY H H 1 7.831 0.693 A 36 GLY HA2 H 1 4.464 0.000 A 36 GLY HA3 H 1 4.409 0.000 A 36 GLY C C 13 175.154 0.000 A 36 GLY CA C 13 45.619 0.743 A 36 GLY N N 15 108.741 0.010 A 37 ARG H H 1 7.563 1.685 A 37 ARG CB C 13 30.969 0.005 A 37 ARG N N 15 117.778 0.000 A 38 VAL H H 1 0.715 0.071 A 38 VAL HA H 1 4.550 0.000 A 38 VAL HB H 1 2.010 0.000 A 38 VAL HG11 H 1 1.447 0.000 A 38 VAL HG12 H 1 1.447 0.000 A 38 VAL HG13 H 1 1.447 0.000 A 38 VAL HG21 H 1 1.392 0.000 A 38 VAL HG22 H 1 1.392 0.000 A 38 VAL HG23 H 1 1.392 0.000 A 38 VAL C C 13 178.585 0.000 A 38 VAL CA C 13 62.491 0.016 A 38 VAL CB C 13 32.740 0.032 A 38 VAL CG1 C 13 27.795 0.052 A 38 VAL CG2 C 13 18.159 0.031 A 39 THR H H 1 8.427 1.287 A 39 THR CA C 13 66.779 0.064 A 39 THR CB C 13 68.815 0.003 A 39 THR N N 15 119.851 0.000 A 40 ARG H H 1 2.336 0.904 A 40 ARG HA H 1 4.390 0.000 A 40 ARG HB2 H 1 1.415 0.000 A 40 ARG HB3 H 1 1.365 0.000 A 40 ARG HD2 H 1 3.620 0.000 A 40 ARG HD3 H 1 3.581 0.000 A 40 ARG HG2 H 1 0.212 0.000 A 40 ARG HG3 H 1 0.176 0.000 A 40 ARG C C 13 173.630 0.000 A 40 ARG CA C 13 54.750 0.027 A 40 ARG CB C 13 31.300 0.128 A 40 ARG CD C 13 43.769 0.165 A 40 ARG CG C 13 23.555 0.028 A 41 LYS H H 1 7.112 2.063 A 41 LYS HA H 1 3.917 0.000 A 41 LYS HB2 H 1 1.881 0.205 A 41 LYS HB3 H 1 1.793 0.244 A 41 LYS HD2 H 1 0.847 0.351 A 41 LYS HD3 H 1 0.828 0.432 A 41 LYS HG2 H 1 1.630 0.000 A 41 LYS HG3 H 1 1.419 0.000 A 41 LYS C C 13 176.616 0.000 A 41 LYS CA C 13 56.792 0.620 A 41 LYS CB C 13 32.086 2.034 A 41 LYS CD C 13 23.004 0.033 A 41 LYS CE C 13 36.234 0.000 A 41 LYS CG C 13 17.221 0.047 A 41 LYS N N 15 118.248 0.000 A 42 HIS H H 1 7.267 1.261 A 42 HIS HA H 1 4.112 0.000 A 42 HIS HB2 H 1 2.338 0.000 A 42 HIS HB3 H 1 2.260 0.000 A 42 HIS C C 13 178.045 0.000 A 42 HIS CA C 13 57.254 1.708 A 42 HIS CB C 13 31.588 0.436 A 42 HIS CD2 C 13 119.875 0.009 A 42 HIS CE1 C 13 139.136 0.000 A 42 HIS CG C 13 131.072 0.027 A 42 HIS N N 15 121.412 0.000 A 43 ASP H H 1 7.298 1.028 A 43 ASP HA H 1 4.167 0.000 A 43 ASP HB2 H 1 2.793 0.221 A 43 ASP HB3 H 1 2.818 0.132 A 43 ASP C C 13 177.918 0.000 A 43 ASP CA C 13 59.747 0.742 A 43 ASP CB C 13 41.626 0.574 A 43 ASP N N 15 118.254 0.000 A 44 ASP H H 1 7.849 1.404 A 44 ASP HA H 1 3.995 0.000 A 44 ASP HB2 H 1 1.494 0.000 A 44 ASP HB3 H 1 1.408 0.000 A 44 ASP C C 13 173.804 0.000 A 44 ASP CA C 13 54.994 0.106 A 44 ASP CB C 13 42.838 0.259 A 44 ASP N N 15 118.090 0.000 A 45 ILE H H 1 6.665 2.911 A 45 ILE HA H 1 4.448 0.000 A 45 ILE HB H 1 2.611 0.000 A 45 ILE HD11 H 1 0.571 0.000 A 45 ILE HD12 H 1 0.571 0.000 A 45 ILE HD13 H 1 0.571 0.000 A 45 ILE HG12 H 1 2.213 0.000 A 45 ILE HG13 H 1 2.213 0.000 A 45 ILE HG21 H 1 0.618 0.000 A 45 ILE HG22 H 1 0.618 0.000 A 45 ILE HG23 H 1 0.618 0.000 A 45 ILE C C 13 179.300 0.000 A 45 ILE CA C 13 65.410 0.422 A 45 ILE CB C 13 39.517 1.603 A 45 ILE CD1 C 13 14.692 0.067 A 45 ILE CG1 C 13 29.810 0.025 A 45 ILE CG2 C 13 16.357 0.023 A 45 ILE N N 15 121.018 0.000 A 46 ASP H H 1 7.863 1.311 A 46 ASP HA H 1 5.285 0.000 A 46 ASP HB2 H 1 3.120 0.000 A 46 ASP HB3 H 1 3.026 0.000 A 46 ASP C C 13 175.552 0.000 A 46 ASP CA C 13 57.778 0.108 A 46 ASP CB C 13 40.114 0.523 A 46 ASP N N 15 117.847 0.112 A 47 LEU H H 1 6.253 2.906 A 47 LEU HA H 1 4.960 0.000 A 47 LEU HB2 H 1 2.838 0.000 A 47 LEU HB3 H 1 2.666 0.000 A 47 LEU HD11 H 1 0.954 0.000 A 47 LEU HD12 H 1 0.954 0.000 A 47 LEU HD13 H 1 0.954 0.000 A 47 LEU HD21 H 1 0.399 0.000 A 47 LEU HD22 H 1 0.399 0.000 A 47 LEU HD23 H 1 0.399 0.000 A 47 LEU HG H 1 2.088 0.000 A 47 LEU C C 13 176.584 0.000 A 47 LEU CA C 13 54.798 0.049 A 47 LEU CB C 13 42.065 0.470 A 47 LEU CD1 C 13 22.704 0.091 A 47 LEU CD2 C 13 22.488 0.009 A 47 LEU CG C 13 26.295 0.027 A 47 LEU N N 15 124.278 0.000 A 48 THR H H 1 8.106 1.067 A 48 THR CA C 13 62.260 0.009 A 48 THR CB C 13 69.523 0.013 A 48 THR N N 15 114.543 0.013 A 49 PHE H H 1 6.796 0.231 A 49 PHE CD1 C 13 132.238 0.000 A 49 PHE CD2 C 13 133.032 0.000 A 49 PHE CE1 C 13 129.920 0.000 A 49 PHE CE2 C 13 130.895 0.000 A 49 PHE CG C 13 131.800 0.000 A 49 PHE CZ C 13 123.350 0.000 A 50 PRO HA H 1 4.601 0.000 A 50 PRO HB2 H 1 2.127 0.000 A 50 PRO HB3 H 1 1.580 0.000 A 50 PRO HD2 H 1 3.315 0.000 A 50 PRO HD3 H 1 3.268 0.000 A 50 PRO HG2 H 1 1.134 0.000 A 50 PRO HG3 H 1 1.091 0.000 A 50 PRO C C 13 178.442 0.000 A 51 GLY H H 1 8.054 0.789 A 51 GLY HA2 H 1 4.106 0.011 A 51 GLY HA3 H 1 4.024 0.055 A 51 GLY C C 13 174.074 0.000 A 51 GLY CA C 13 46.248 0.030 A 51 GLY N N 15 109.094 0.000 A 52 GLU H H 1 7.455 1.737 A 52 GLU HA H 1 4.417 0.000 A 52 GLU HB2 H 1 2.041 0.000 A 52 GLU HB3 H 1 1.924 0.000 A 52 GLU HG2 H 1 2.322 0.000 A 52 GLU HG3 H 1 2.283 0.000 A 52 GLU C C 13 177.045 0.000 A 52 GLU CA C 13 54.638 0.099 A 52 GLU CB C 13 32.510 0.274 A 52 GLU CG C 13 41.183 0.007 A 52 GLU N N 15 117.473 0.015 A 53 ARG H H 1 7.596 2.083 A 53 ARG HA H 1 3.854 0.000 A 53 ARG HB2 H 1 2.077 0.129 A 53 ARG HB3 H 1 2.003 0.088 A 53 ARG HD2 H 1 3.284 0.000 A 53 ARG HD3 H 1 3.237 0.000 A 53 ARG HG2 H 1 2.301 0.661 A 53 ARG HG3 H 1 2.233 0.698 A 53 ARG C C 13 176.600 0.000 A 53 ARG CA C 13 56.923 0.128 A 53 ARG CB C 13 30.095 0.192 A 53 ARG CD C 13 47.025 0.074 A 53 ARG CG C 13 27.604 0.035 A 53 ARG N N 15 121.078 0.000 A 54 ARG H H 1 7.842 1.655 A 54 ARG HA H 1 5.316 0.000 A 54 ARG HB2 H 1 2.979 0.000 A 54 ARG HB3 H 1 2.369 0.000 A 54 ARG HD2 H 1 3.885 0.132 A 54 ARG HD3 H 1 3.828 0.141 A 54 ARG HG2 H 1 0.579 0.000 A 54 ARG HG3 H 1 0.266 0.000 A 54 ARG C C 13 177.632 0.000 A 54 ARG CA C 13 60.599 0.126 A 54 ARG CB C 13 32.863 3.286 A 54 ARG CD C 13 45.304 0.064 A 54 ARG CG C 13 30.483 0.049 A 54 ARG N N 15 121.702 0.000 A 55 GLY H H 1 8.847 1.016 A 55 GLY HA2 H 1 3.315 0.000 A 55 GLY HA3 H 1 3.276 0.000 A 55 GLY C C 13 179.538 0.000 A 55 GLY CA C 13 47.072 0.086 A 55 GLY N N 15 105.017 0.007 A 56 GLU H H 1 6.815 1.776 A 56 GLU HA H 1 4.304 0.000 A 56 GLU HB2 H 1 2.373 0.000 A 56 GLU HB3 H 1 2.123 0.000 A 56 GLU HG2 H 1 2.391 0.156 A 56 GLU HG3 H 1 2.323 0.108 A 56 GLU C C 13 176.584 0.000 A 56 GLU CA C 13 58.176 0.026 A 56 GLU CB C 13 32.999 1.415 A 56 GLU CG C 13 36.401 0.012 A 56 GLU N N 15 121.008 0.000 A 57 LEU H H 1 7.541 2.739 A 57 LEU HA H 1 3.651 0.000 A 57 LEU HB2 H 1 2.213 0.000 A 57 LEU HB3 H 1 2.127 0.000 A 57 LEU HD11 H 1 0.850 0.362 A 57 LEU HD12 H 1 0.850 0.362 A 57 LEU HD13 H 1 0.850 0.362 A 57 LEU HD21 H 1 0.775 0.314 A 57 LEU HD22 H 1 0.775 0.314 A 57 LEU HD23 H 1 0.775 0.314 A 57 LEU HG H 1 2.565 0.000 A 57 LEU C C 13 175.996 0.000 A 57 LEU CA C 13 59.048 0.183 A 57 LEU CB C 13 35.198 1.002 A 57 LEU CD1 C 13 22.115 0.024 A 57 LEU CD2 C 13 22.087 0.042 A 57 LEU CG C 13 27.023 0.001 A 57 LEU N N 15 122.132 0.007 A 58 GLU H H 1 7.770 1.843 A 58 GLU HA H 1 4.382 0.000 A 58 GLU HB2 H 1 2.076 0.000 A 58 GLU HB3 H 1 1.451 0.000 A 58 GLU HG2 H 1 2.529 0.000 A 58 GLU C C 13 177.219 0.000 A 58 GLU CA C 13 58.940 0.141 A 58 GLU CB C 13 29.936 0.014 A 58 GLU CG C 13 35.889 0.059 A 58 GLU N N 15 122.856 0.017 A 59 ALA H H 1 7.684 1.397 A 59 ALA HA H 1 4.448 0.000 A 59 ALA HB1 H 1 1.197 0.000 A 59 ALA HB2 H 1 1.197 0.000 A 59 ALA HB3 H 1 1.197 0.000 A 59 ALA C C 13 175.266 0.000 A 59 ALA CA C 13 51.682 0.111 A 59 ALA CB C 13 19.077 0.643 A 59 ALA N N 15 119.320 0.006 A 60 ILE H H 1 6.437 2.459 A 60 ILE HA H 1 4.073 0.000 A 60 ILE HB H 1 2.317 0.058 A 60 ILE HD11 H 1 0.931 0.000 A 60 ILE HD12 H 1 0.931 0.000 A 60 ILE HD13 H 1 0.931 0.000 A 60 ILE HG12 H 1 2.189 0.000 A 60 ILE HG13 H 1 2.189 0.000 A 60 ILE HG21 H 1 0.873 0.372 A 60 ILE HG22 H 1 0.873 0.372 A 60 ILE HG23 H 1 0.873 0.372 A 60 ILE C C 13 179.824 0.000 A 60 ILE CA C 13 57.701 0.458 A 60 ILE CB C 13 41.232 0.949 A 60 ILE CD1 C 13 15.136 0.099 A 60 ILE CG1 C 13 29.679 0.021 A 60 ILE CG2 C 13 22.668 0.041 A 60 ILE N N 15 118.019 0.000 A 61 VAL H H 1 7.768 1.920 A 61 VAL HA H 1 3.878 0.000 A 61 VAL HB H 1 1.884 0.000 A 61 VAL HG11 H 1 1.423 0.000 A 61 VAL HG12 H 1 1.423 0.000 A 61 VAL HG13 H 1 1.423 0.000 A 61 VAL HG21 H 1 1.369 0.000 A 61 VAL HG22 H 1 1.369 0.000 A 61 VAL HG23 H 1 1.369 0.000 A 61 VAL C C 13 175.393 0.000 A 61 VAL CA C 13 61.834 0.695 A 61 VAL CB C 13 31.488 0.628 A 61 VAL CG1 C 13 28.459 0.087 A 61 VAL CG2 C 13 28.214 0.015 A 61 VAL N N 15 123.209 0.001 A 62 GLU H H 1 7.405 1.653 A 62 GLU HA H 1 4.061 0.000 A 62 GLU HB2 H 1 2.189 0.000 A 62 GLU HB3 H 1 2.111 0.000 A 62 GLU HG2 H 1 2.471 0.000 A 62 GLU HG3 H 1 2.291 0.000 A 62 GLU C C 13 177.283 0.000 A 62 GLU CA C 13 58.449 0.742 A 62 GLU CB C 13 29.401 0.530 A 62 GLU CG C 13 36.442 0.030 A 62 GLU N N 15 122.624 0.010 A 63 MET H H 1 6.584 1.615 A 63 MET HA H 1 4.663 0.000 A 63 MET HB2 H 1 1.957 0.045 A 63 MET HB3 H 1 1.798 0.000 A 63 MET HE1 H 1 0.728 0.000 A 63 MET HE2 H 1 0.728 0.000 A 63 MET HE3 H 1 0.728 0.000 A 63 MET HG2 H 1 1.965 0.064 A 63 MET HG3 H 1 1.988 0.127 A 63 MET C C 13 174.741 0.000 A 63 MET CA C 13 54.675 0.104 A 63 MET CB C 13 30.409 0.046 A 63 MET CE C 13 13.771 0.124 A 63 MET CG C 13 33.052 0.001 A 63 MET N N 15 116.161 0.015 A 64 LEU H H 1 7.694 2.581 A 64 LEU HA H 1 4.288 0.000 A 64 LEU HB2 H 1 1.686 0.012 A 64 LEU HB3 H 1 1.628 0.016 A 64 LEU HD11 H 1 0.763 0.000 A 64 LEU HD12 H 1 0.763 0.000 A 64 LEU HD13 H 1 0.763 0.000 A 64 LEU HD21 H 1 0.762 0.014 A 64 LEU HD22 H 1 0.762 0.014 A 64 LEU HD23 H 1 0.762 0.014 A 64 LEU HG H 1 1.326 0.000 A 64 LEU C C 13 176.044 0.000 A 64 LEU CA C 13 54.531 0.282 A 64 LEU CB C 13 44.497 0.971 A 64 LEU CD1 C 13 23.039 0.053 A 64 LEU CD2 C 13 22.830 0.000 A 64 LEU CG C 13 27.077 0.087 A 64 LEU N N 15 123.614 0.003 A 65 GLY H H 1 7.808 0.750 A 65 GLY HA2 H 1 4.002 0.134 A 65 GLY HA3 H 1 3.866 0.009 A 65 GLY C C 13 175.567 0.000 A 65 GLY CA C 13 45.381 0.067 A 65 GLY N N 15 106.685 0.010 A 66 GLY H H 1 8.286 0.718 A 66 GLY HA2 H 1 4.812 0.000 A 66 GLY HA3 H 1 3.788 0.000 A 66 GLY C C 13 172.105 0.000 A 66 GLY CA C 13 44.990 0.070 A 66 GLY N N 15 108.783 0.007 A 67 ARG H H 1 7.688 2.001 A 67 ARG HA H 1 4.710 0.000 A 67 ARG HB2 H 1 1.979 0.038 A 67 ARG HB3 H 1 1.927 0.035 A 67 ARG HD2 H 1 3.128 0.014 A 67 ARG HD3 H 1 3.069 0.029 A 67 ARG HG2 H 1 1.402 0.119 A 67 ARG HG3 H 1 1.358 0.125 A 67 ARG C C 13 174.741 0.000 A 67 ARG CA C 13 54.211 0.029 A 67 ARG CB C 13 33.412 0.037 A 67 ARG CD C 13 39.316 0.013 A 67 ARG CG C 13 26.380 0.032 A 67 ARG N N 15 113.698 0.001 A 68 VAL H H 1 7.975 2.441 A 68 VAL HA H 1 3.858 0.000 A 68 VAL HB H 1 2.007 0.215 A 68 VAL HG11 H 1 0.712 0.000 A 68 VAL HG12 H 1 0.712 0.000 A 68 VAL HG13 H 1 0.712 0.000 A 68 VAL HG21 H 1 0.655 0.336 A 68 VAL HG22 H 1 0.655 0.336 A 68 VAL HG23 H 1 0.655 0.336 A 68 VAL C C 13 175.853 0.000 A 68 VAL CA C 13 64.510 0.034 A 68 VAL CB C 13 31.575 0.025 A 68 VAL CG1 C 13 20.976 0.010 A 68 VAL CG2 C 13 20.637 0.001 A 68 VAL N N 15 123.514 0.009 A 69 MET H H 1 8.845 1.838 A 69 MET HA H 1 4.523 0.000 A 69 MET HB2 H 1 2.076 0.000 A 69 MET HB3 H 1 1.818 0.000 A 69 MET HE1 H 1 1.548 0.000 A 69 MET HE2 H 1 1.548 0.000 A 69 MET HE3 H 1 1.548 0.000 A 69 MET HG2 H 1 2.467 0.000 A 69 MET HG3 H 1 2.357 0.000 A 69 MET C C 13 175.917 0.000 A 69 MET CA C 13 56.332 0.062 A 69 MET CB C 13 34.877 0.075 A 69 MET CE C 13 9.930 0.000 A 69 MET CG C 13 31.669 0.025 A 69 MET N N 15 128.300 0.000 A 70 GLU H H 1 7.252 1.378 A 70 GLU HA H 1 4.538 0.000 A 70 GLU HB2 H 1 2.025 0.015 A 70 GLU HB3 H 1 1.945 0.008 A 70 GLU HG2 H 1 1.972 0.128 A 70 GLU HG3 H 1 1.870 0.066 A 70 GLU C C 13 174.170 0.000 A 70 GLU CA C 13 56.119 0.091 A 70 GLU CB C 13 33.509 0.019 A 70 GLU CG C 13 35.703 0.026 A 70 GLU N N 15 116.774 0.005 A 71 GLU H H 1 8.146 1.853 A 71 GLU HA H 1 4.581 0.000 A 71 GLU HB2 H 1 1.961 0.095 A 71 GLU HB3 H 1 1.895 0.089 A 71 GLU HG2 H 1 2.416 0.000 A 71 GLU HG3 H 1 2.353 0.000 A 71 GLU C C 13 175.917 0.000 A 71 GLU CA C 13 56.075 0.070 A 71 GLU CB C 13 30.489 0.067 A 71 GLU CG C 13 35.389 0.051 A 71 GLU N N 15 124.391 0.004 A 72 LEU H H 1 7.350 2.245 A 72 LEU HA H 1 4.679 0.000 A 72 LEU HB2 H 1 1.470 0.000 A 72 LEU HB3 H 1 1.419 0.000 A 72 LEU HD11 H 1 1.326 0.000 A 72 LEU HD12 H 1 1.326 0.000 A 72 LEU HD13 H 1 1.326 0.000 A 72 LEU HD21 H 1 0.805 0.162 A 72 LEU HD22 H 1 0.805 0.162 A 72 LEU HD23 H 1 0.805 0.162 A 72 LEU HG H 1 2.146 0.000 A 72 LEU C C 13 176.266 0.000 A 72 LEU CA C 13 53.269 0.022 A 72 LEU CB C 13 43.146 0.017 A 72 LEU CD1 C 13 22.559 0.015 A 72 LEU CD2 C 13 22.303 0.016 A 72 LEU CG C 13 27.474 0.025 A 72 LEU N N 15 125.488 0.005 A 73 ASP H H 1 8.154 1.386 A 73 ASP HA H 1 5.308 0.000 A 73 ASP HB2 H 1 2.885 0.000 A 73 ASP HB3 H 1 2.830 0.000 A 73 ASP C C 13 179.920 0.000 A 73 ASP CA C 13 57.488 0.241 A 73 ASP CB C 13 41.098 0.857 A 73 ASP N N 15 120.665 0.014 A 74 TYR H H 1 6.765 0.897 A 74 TYR HA H 1 3.956 0.000 A 74 TYR HB2 H 1 3.526 0.000 A 74 TYR HB3 H 1 3.456 0.000 A 74 TYR C C 13 178.363 0.000 A 74 TYR CA C 13 62.944 0.146 A 74 TYR CB C 13 41.554 2.099 A 74 TYR CD1 C 13 133.424 0.000 A 74 TYR CD2 C 13 132.753 0.000 A 74 TYR CE1 C 13 112.383 0.002 A 74 TYR CE2 C 13 118.260 0.000 A 74 TYR CG C 13 124.994 0.021 A 74 TYR N N 15 118.281 0.000 A 75 GLY H H 1 9.120 1.241 A 75 GLY HA2 H 1 3.737 0.000 A 75 GLY HA3 H 1 3.698 0.000 A 75 GLY C C 13 174.344 0.000 A 75 GLY CA C 13 47.430 0.135 A 75 GLY N N 15 116.923 0.000 A 76 PHE H H 1 8.612 12.433 A 76 PHE HA H 1 4.331 0.000 A 76 PHE HB2 H 1 2.510 0.000 A 76 PHE HB3 H 1 2.455 0.000 A 76 PHE C C 13 175.536 0.000 A 76 PHE CA C 13 53.731 0.451 A 76 PHE CB C 13 43.299 1.782 A 76 PHE CD1 C 13 133.061 0.000 A 76 PHE CD2 C 13 133.722 0.000 A 76 PHE CE1 C 13 130.816 0.000 A 76 PHE CE2 C 13 130.730 0.000 A 76 PHE CG C 13 131.999 0.000 A 76 PHE CZ C 13 121.475 0.014 A 76 PHE N N 15 122.909 0.000 A 77 LEU H H 1 8.010 2.705 A 77 LEU HA H 1 5.125 0.000 A 77 LEU HB2 H 1 1.658 0.000 A 77 LEU HB3 H 1 1.595 0.000 A 77 LEU HD11 H 1 1.337 0.000 A 77 LEU HD12 H 1 1.337 0.000 A 77 LEU HD13 H 1 1.337 0.000 A 77 LEU HD21 H 1 1.290 0.000 A 77 LEU HD22 H 1 1.290 0.000 A 77 LEU HD23 H 1 1.290 0.000 A 77 LEU HG H 1 1.736 0.000 A 77 LEU C C 13 176.743 0.000 A 77 LEU CA C 13 53.015 0.430 A 77 LEU CB C 13 44.840 0.248 A 77 LEU CD1 C 13 21.263 0.008 A 77 LEU CD2 C 13 21.045 0.028 A 77 LEU CG C 13 31.502 0.001 A 77 LEU N N 15 123.071 0.008 A 78 ALA H H 1 9.272 1.554 A 78 ALA HA H 1 4.159 0.000 A 78 ALA HB1 H 1 1.447 0.000 A 78 ALA HB2 H 1 1.447 0.000 A 78 ALA HB3 H 1 1.447 0.000 A 78 ALA C C 13 173.693 0.000 A 78 ALA CA C 13 50.058 0.045 A 78 ALA CB C 13 23.609 0.145 A 78 ALA N N 15 126.832 0.016 A 79 GLU H H 1 8.224 1.447 A 79 GLU HA H 1 4.495 0.000 A 79 GLU HB2 H 1 2.557 0.000 A 79 GLU HB3 H 1 2.510 0.000 A 79 GLU HG2 H 1 2.979 0.000 A 79 GLU HG3 H 1 2.940 0.000 A 79 GLU C C 13 174.662 0.000 A 79 GLU CA C 13 54.104 0.032 A 79 GLU CB C 13 33.840 0.025 A 79 GLU N N 15 119.680 0.000 A 80 ILE H H 1 6.739 3.390 A 80 ILE HA H 1 3.886 0.000 A 80 ILE HB H 1 1.939 0.000 A 80 ILE HD11 H 1 1.494 0.000 A 80 ILE HD12 H 1 1.494 0.000 A 80 ILE HD13 H 1 1.494 0.000 A 80 ILE HG12 H 1 1.705 0.000 A 80 ILE HG13 H 1 1.705 0.000 A 80 ILE HG21 H 1 1.666 0.000 A 80 ILE HG22 H 1 1.666 0.000 A 80 ILE HG23 H 1 1.666 0.000 A 80 ILE C C 13 171.914 0.000 A 80 ILE CA C 13 67.252 0.043 A 80 ILE CB C 13 44.410 0.167 A 80 ILE CD1 C 13 22.113 0.016 A 80 ILE CG1 C 13 28.445 0.069 A 80 ILE CG2 C 13 24.524 0.013 A 80 ILE N N 15 123.482 0.018 A 81 GLY H H 1 7.055 1.007 A 81 GLY HA2 H 1 4.104 0.000 A 81 GLY HA3 H 1 3.385 0.000 A 81 GLY C C 13 173.264 0.000 A 81 GLY CA C 13 43.617 0.139 A 81 GLY N N 15 118.503 0.032 A 82 ASP H H 1 14.785 26.686 A 82 ASP HA H 1 4.065 0.000 A 82 ASP HB2 H 1 2.563 0.017 A 82 ASP HB3 H 1 2.504 0.011 A 82 ASP C C 13 178.840 0.000 A 82 ASP CA C 13 63.981 2.118 A 82 ASP CB C 13 36.274 0.817 A 82 ASP N N 15 113.280 28.987 A 83 GLU H H 1 7.938 1.720 A 83 GLU HA H 1 4.132 0.000 A 83 GLU HB2 H 1 1.064 0.000 A 83 GLU HB3 H 1 1.001 0.000 A 83 GLU HG2 H 1 2.247 0.065 A 83 GLU HG3 H 1 2.041 0.000 A 83 GLU C C 13 178.395 0.000 A 83 GLU CA C 13 59.248 0.065 A 83 GLU CB C 13 30.835 0.952 A 83 GLU CG C 13 38.059 0.029 A 83 GLU N N 15 118.214 0.007 A 84 LEU H H 1 6.365 1.803 A 84 LEU HA H 1 5.265 0.000 A 84 LEU HB2 H 1 2.588 0.000 A 84 LEU HB3 H 1 2.549 0.000 A 84 LEU HD11 H 1 0.087 0.000 A 84 LEU HD12 H 1 0.087 0.000 A 84 LEU HD13 H 1 0.087 0.000 A 84 LEU HD21 H 1 0.040 0.000 A 84 LEU HD22 H 1 0.040 0.000 A 84 LEU HD23 H 1 0.040 0.000 A 84 LEU HG H 1 1.556 0.000 A 84 LEU C C 13 175.266 0.000 A 84 LEU CA C 13 56.792 0.267 A 84 LEU CB C 13 41.436 0.194 A 84 LEU CD1 C 13 12.154 0.031 A 84 LEU CD2 C 13 11.765 0.039 A 84 LEU CG C 13 32.028 0.051 A 84 LEU N N 15 118.899 0.000 A 85 LEU H H 1 8.161 0.000 A 85 LEU HA H 1 4.327 0.000 A 85 LEU HB2 H 1 2.348 0.516 A 85 LEU HB3 H 1 2.429 0.420 A 85 LEU HD11 H 1 0.243 0.000 A 85 LEU HD12 H 1 0.243 0.000 A 85 LEU HD13 H 1 0.243 0.000 A 85 LEU HD21 H 1 0.204 0.000 A 85 LEU HD22 H 1 0.204 0.000 A 85 LEU HD23 H 1 0.204 0.000 A 85 LEU HG H 1 2.039 0.478 A 85 LEU C C 13 177.410 0.000 A 85 LEU CA C 13 52.497 0.072 A 85 LEU CB C 13 41.328 1.269 A 85 LEU CD1 C 13 19.350 0.079 A 85 LEU CD2 C 13 19.080 0.033 A 85 LEU CG C 13 30.969 0.315 A 85 LEU N N 15 116.057 0.013 A 86 ASP H H 1 7.786 1.317 A 86 ASP HA H 1 3.972 0.000 A 86 ASP HB2 H 1 1.572 0.000 A 86 ASP HB3 H 1 1.423 0.000 A 86 ASP C C 13 173.455 0.000 A 86 ASP CA C 13 54.927 0.154 A 86 ASP CB C 13 41.994 0.769 A 86 ASP N N 15 123.186 0.003 A 87 CYS H H 1 7.757 1.510 A 87 CYS HA H 1 4.538 0.000 A 87 CYS HB2 H 1 2.674 0.000 A 87 CYS HB3 H 1 2.604 0.000 A 87 CYS C C 13 176.616 0.000 A 87 CYS CA C 13 56.694 0.204 A 87 CYS CB C 13 30.125 0.423 A 87 CYS N N 15 120.535 0.000 A 88 GLU H H 1 8.899 1.700 A 88 GLU CA C 13 55.276 0.004 A 88 GLU CB C 13 31.984 0.026 A 88 GLU N N 15 117.615 0.007 A 89 PRO HA H 1 4.503 0.000 A 89 PRO HB2 H 1 3.284 0.000 A 89 PRO HB3 H 1 2.666 0.000 A 89 PRO HD2 H 1 3.886 0.000 A 89 PRO HD3 H 1 3.846 0.000 A 89 PRO HG2 H 1 1.611 0.000 A 89 PRO HG3 H 1 1.478 0.000 A 89 PRO C C 13 171.422 0.000 A 90 ALA H H 1 8.347 1.734 A 90 ALA HA H 1 4.175 0.000 A 90 ALA HB1 H 1 1.533 0.000 A 90 ALA HB2 H 1 1.533 0.000 A 90 ALA HB3 H 1 1.533 0.000 A 90 ALA C C 13 175.377 0.000 A 90 ALA CA C 13 60.377 0.045 A 90 ALA CB C 13 23.132 0.443 A 90 ALA N N 15 118.921 0.013 A 91 TRP H H 1 7.732 1.073 A 91 TRP HA H 1 4.515 0.000 A 91 TRP HB2 H 1 1.931 0.268 A 91 TRP HB3 H 1 2.178 0.000 A 91 TRP C C 13 178.045 0.000 A 91 TRP CA C 13 55.960 0.062 A 91 TRP CB C 13 31.275 0.663 A 91 TRP CD1 C 13 126.901 0.000 A 91 TRP CD2 C 13 128.005 0.000 A 91 TRP CE2 C 13 137.642 0.000 A 91 TRP N N 15 117.933 0.008 A 92 TRP H H 1 7.926 1.140 A 92 TRP HA H 1 3.964 0.000 A 92 TRP HB2 H 1 3.136 0.006 A 92 TRP HB3 H 1 2.869 0.000 A 92 TRP C C 13 175.949 0.000 A 92 TRP CA C 13 58.708 0.107 A 92 TRP CB C 13 29.941 0.301 A 92 TRP CD1 C 13 127.757 0.000 A 92 TRP CD2 C 13 127.333 0.000 A 92 TRP CE2 C 13 136.435 0.000 A 92 TRP N N 15 124.033 0.011 A 93 ALA H H 1 7.816 1.492 A 93 ALA HA H 1 3.338 0.000 A 93 ALA HB1 H 1 1.419 0.000 A 93 ALA HB2 H 1 1.419 0.000 A 93 ALA HB3 H 1 1.419 0.000 A 93 ALA C C 13 173.661 0.000 A 93 ALA CA C 13 55.653 3.272 A 93 ALA CB C 13 21.757 2.426 A 93 ALA N N 15 134.107 0.003 A 94 ASP H H 1 8.391 1.182 A 94 ASP HA H 1 4.714 0.000 A 94 ASP HB2 H 1 2.042 0.009 A 94 ASP HB3 H 1 1.970 0.000 A 94 ASP C C 13 175.123 0.000 A 94 ASP CA C 13 56.461 2.050 A 94 ASP CB C 13 34.384 0.821 A 94 ASP N N 15 119.330 0.016 A 95 GLU H H 1 7.929 1.650 A 95 GLU HA H 1 4.202 0.000 A 95 GLU HB2 H 1 1.998 0.000 A 95 GLU HB3 H 1 1.943 0.000 A 95 GLU HG2 H 1 2.412 0.044 A 95 GLU HG3 H 1 2.361 0.046 A 95 GLU C C 13 176.314 0.000 A 95 GLU CA C 13 56.967 0.050 A 95 GLU CB C 13 29.959 0.125 A 95 GLU CG C 13 36.388 0.014 A 95 GLU N N 15 122.906 0.002 A 96 ALA H H 1 7.724 1.510 A 96 ALA HA H 1 4.327 0.000 A 96 ALA HB1 H 1 1.408 0.000 A 96 ALA HB2 H 1 1.408 0.000 A 96 ALA HB3 H 1 1.408 0.000 A 96 ALA C C 13 177.378 0.000 A 96 ALA CA C 13 52.702 0.115 A 96 ALA CB C 13 19.352 0.144 A 96 ALA N N 15 124.680 0.000 A 97 TYR H H 1 7.068 0.837 A 97 TYR HA H 1 5.203 0.000 A 97 TYR HB2 H 1 2.709 0.000 A 97 TYR HB3 H 1 2.608 0.000 A 97 TYR C C 13 176.457 0.000 A 97 TYR CA C 13 54.767 0.228 A 97 TYR CB C 13 42.047 0.590 A 97 TYR CD1 C 13 133.614 0.000 A 97 TYR CD2 C 13 133.105 0.000 A 97 TYR CE1 C 13 114.274 0.000 A 97 TYR CE2 C 13 118.200 0.000 A 97 TYR CG C 13 124.759 0.000 A 97 TYR N N 15 120.680 0.000 A 98 GLU H H 1 7.612 2.093 A 98 GLU HA H 1 4.284 0.000 A 98 GLU HB2 H 1 2.133 0.085 A 98 GLU HB3 H 1 2.146 0.066 A 98 GLU HG2 H 1 2.568 0.000 A 98 GLU HG3 H 1 2.138 0.000 A 98 GLU C C 13 175.917 0.000 A 98 GLU CA C 13 54.362 0.111 A 98 GLU CB C 13 30.878 1.228 A 98 GLU CG C 13 36.320 0.010 A 98 GLU N N 15 121.270 0.015 A 99 ILE H H 1 7.568 2.292 A 99 ILE HA H 1 3.999 0.000 A 99 ILE HB H 1 1.680 0.037 A 99 ILE HD11 H 1 0.520 0.000 A 99 ILE HD12 H 1 0.520 0.000 A 99 ILE HD13 H 1 0.520 0.000 A 99 ILE HG12 H 1 0.817 0.000 A 99 ILE HG13 H 1 0.817 0.000 A 99 ILE HG21 H 1 0.708 0.000 A 99 ILE HG22 H 1 0.708 0.000 A 99 ILE HG23 H 1 0.708 0.000 A 99 ILE C C 13 176.266 0.000 A 99 ILE CA C 13 62.079 0.033 A 99 ILE CB C 13 40.273 0.023 A 99 ILE CD1 C 13 17.663 0.082 A 99 ILE CG1 C 13 27.337 0.130 A 99 ILE CG2 C 13 18.270 0.047 A 99 ILE N N 15 122.575 0.013 A 100 ALA H H 1 9.103 0.943 A 100 ALA HA H 1 4.538 0.000 A 100 ALA HB1 H 1 1.818 0.000 A 100 ALA HB2 H 1 1.818 0.000 A 100 ALA HB3 H 1 1.818 0.000 A 100 ALA C C 13 175.504 0.000 A 100 ALA CA C 13 47.513 0.173 A 100 ALA CB C 13 7.721 0.046 A 100 ALA N N 15 119.732 0.022 A 101 GLU H H 1 9.778 2.462 A 101 GLU HA H 1 3.909 0.000 A 101 GLU HB2 H 1 2.346 0.000 A 101 GLU HB3 H 1 2.283 0.000 A 101 GLU HG2 H 1 2.386 0.022 A 101 GLU HG3 H 1 2.329 0.022 A 101 GLU C C 13 174.360 0.000 A 101 GLU CA C 13 57.907 0.491 A 101 GLU CB C 13 27.900 0.051 A 101 GLU CG C 13 36.839 0.007 A 101 GLU N N 15 123.217 0.009 A 102 ALA H H 1 7.162 1.398 A 102 ALA CA C 13 49.977 0.060 A 102 ALA CB C 13 18.092 0.048 A 102 ALA N N 15 121.517 0.007 A 103 PRO HA H 1 5.113 0.000 A 103 PRO HB2 H 1 2.012 0.003 A 103 PRO HB3 H 1 1.952 0.012 A 103 PRO HD2 H 1 4.464 0.000 A 103 PRO HD3 H 1 4.417 0.000 A 103 PRO HG2 H 1 0.634 0.000 A 103 PRO HG3 H 1 0.587 0.000 A 103 PRO C C 13 177.124 0.000 A 103 PRO CA C 13 63.178 0.061 A 103 PRO CB C 13 32.567 0.179 A 103 PRO CG C 13 27.520 0.011 A 104 GLN H H 1 7.926 1.844 A 104 GLN HA H 1 3.905 0.000 A 104 GLN HB2 H 1 2.059 0.059 A 104 GLN HB3 H 1 2.007 0.046 A 104 GLN HE21 H 1 7.478 0.000 A 104 GLN HE22 H 1 6.743 0.000 A 104 GLN HG2 H 1 2.334 0.000 A 104 GLN HG3 H 1 2.279 0.000 A 104 GLN C C 13 176.806 0.000 A 104 GLN CA C 13 56.986 0.728 A 104 GLN CB C 13 29.430 0.354 A 104 GLN CG C 13 34.017 0.008 A 104 GLN N N 15 115.664 0.000 A 104 GLN NE2 N 15 111.890 0.001 A 105 GLY H H 1 10.174 1.184 A 105 GLY HA2 H 1 4.233 0.000 A 105 GLY HA3 H 1 3.452 0.000 A 105 GLY C C 13 175.853 0.000 A 105 GLY CA C 13 44.554 0.049 A 105 GLY N N 15 115.675 0.017 A 106 SER H H 1 8.323 1.385 A 106 SER CA C 13 61.782 0.042 A 106 SER CB C 13 64.779 0.002 A 106 SER N N 15 115.837 0.009 A 108 PRO HA H 1 4.910 0.000 A 108 PRO HB2 H 1 2.584 0.000 A 108 PRO HB3 H 1 2.326 0.000 A 108 PRO HD2 H 1 4.144 0.000 A 108 PRO HD3 H 1 4.108 0.000 A 108 PRO HG2 H 1 1.752 0.000 A 108 PRO HG3 H 1 1.697 0.000 A 108 PRO C C 13 178.490 0.000 A 108 PRO CA C 13 57.188 0.020 A 109 GLU H H 1 7.819 1.665 A 109 GLU HA H 1 3.362 0.000 A 109 GLU HB2 H 1 1.829 0.017 A 109 GLU HB3 H 1 1.779 0.015 A 109 GLU HG2 H 1 2.979 0.000 A 109 GLU HG3 H 1 2.670 0.000 A 109 GLU C C 13 178.045 0.000 A 109 GLU CA C 13 60.878 0.027 A 109 GLU CB C 13 29.024 0.047 A 109 GLU CG C 13 37.181 0.153 A 109 GLU N N 15 118.738 0.018 A 110 ALA H H 1 7.329 1.226 A 110 ALA HA H 1 4.226 0.000 A 110 ALA HB1 H 1 1.400 0.000 A 110 ALA HB2 H 1 1.400 0.000 A 110 ALA HB3 H 1 1.400 0.000 A 110 ALA C C 13 177.696 0.000 A 110 ALA CA C 13 54.145 0.725 A 110 ALA CB C 13 18.456 0.403 A 110 ALA N N 15 119.461 0.016 A 111 ALA H H 1 7.558 1.523 A 111 ALA HB1 H 1 1.169 0.000 A 111 ALA HB2 H 1 1.169 0.000 A 111 ALA HB3 H 1 1.169 0.000 A 111 ALA C C 13 177.108 0.000 A 111 ALA CA C 13 52.171 0.028 A 111 ALA CB C 13 18.131 1.254 A 111 ALA N N 15 121.137 0.003 A 112 GLU H H 1 6.797 1.403 A 112 GLU HA H 1 4.319 0.000 A 112 GLU HB2 H 1 2.485 0.388 A 112 GLU HB3 H 1 2.423 0.385 A 112 GLU HG2 H 1 2.494 0.000 A 112 GLU HG3 H 1 2.436 0.000 A 112 GLU C C 13 176.711 0.000 A 112 GLU CA C 13 56.315 0.217 A 112 GLU CB C 13 31.139 0.646 A 112 GLU CG C 13 33.852 0.065 A 112 GLU N N 15 122.166 0.020 A 113 GLY H H 1 8.263 0.925 A 113 GLY HA2 H 1 3.960 0.000 A 113 GLY HA3 H 1 3.850 0.000 A 113 GLY C C 13 173.915 0.000 A 113 GLY CA C 13 45.447 0.138 A 113 GLY N N 15 110.443 0.000 A 114 VAL H H 1 6.455 2.616 A 114 VAL HA H 1 3.960 0.000 A 114 VAL HB H 1 3.174 0.000 A 114 VAL HG11 H 1 1.470 0.000 A 114 VAL HG12 H 1 1.470 0.000 A 114 VAL HG13 H 1 1.470 0.000 A 114 VAL C C 13 179.729 0.000 A 114 VAL CA C 13 60.962 1.266 A 114 VAL CB C 13 31.221 1.390 A 114 VAL CG1 C 13 18.572 0.033 A 114 VAL CG2 C 13 18.032 0.033 A 114 VAL N N 15 119.769 0.022 A 115 ILE H H 1 7.611 1.892 A 115 ILE HA H 1 2.971 0.000 A 115 ILE HB H 1 1.542 0.123 A 115 ILE HD11 H 1 0.857 0.318 A 115 ILE HD12 H 1 0.857 0.318 A 115 ILE HD13 H 1 0.857 0.318 A 115 ILE HG21 H 1 1.434 0.215 A 115 ILE HG22 H 1 1.434 0.215 A 115 ILE HG23 H 1 1.434 0.215 A 115 ILE C C 13 175.536 0.000 A 115 ILE CA C 13 57.711 0.125 A 115 ILE CB C 13 41.556 1.928 A 115 ILE CD1 C 13 21.729 0.047 A 115 ILE CG1 C 13 28.293 0.038 A 115 ILE N N 15 121.230 0.000 A 116 ALA H H 1 7.534 1.623 A 116 ALA HA H 1 4.085 0.000 A 116 ALA HB1 H 1 1.427 0.000 A 116 ALA HB2 H 1 1.427 0.000 A 116 ALA HB3 H 1 1.427 0.000 A 116 ALA C C 13 176.743 0.000 A 116 ALA CA C 13 53.130 0.357 A 116 ALA CB C 13 18.704 0.192 A 116 ALA N N 15 125.433 0.016 A 117 GLY H H 1 7.985 0.996 A 117 GLY HA2 H 1 3.534 0.000 A 117 GLY HA3 H 1 3.471 0.000 A 117 GLY C C 13 172.994 0.000 A 117 GLY CA C 13 45.324 0.051 A 117 GLY N N 15 103.560 0.018 A 118 ARG H H 1 7.244 1.426 A 118 ARG CA C 13 52.390 0.001 A 118 ARG CB C 13 33.129 0.058 A 118 ARG N N 15 123.277 0.013 A 119 PRO HA H 1 4.632 0.000 A 119 PRO HB2 H 1 1.838 0.272 A 119 PRO HB3 H 1 1.803 0.250 A 119 PRO HD2 H 1 2.328 0.556 A 119 PRO HD3 H 1 2.298 0.503 A 119 PRO HG2 H 1 1.089 0.461 A 119 PRO HG3 H 1 1.701 0.000 A 119 PRO C C 13 179.411 0.000 A 119 PRO CA C 13 59.293 0.015 A 119 PRO CB C 13 29.754 0.055 A 119 PRO CD C 13 36.265 0.012 A 119 PRO CG C 13 24.006 0.017 A 120 VAL H H 1 7.237 2.171 A 120 VAL HA H 1 4.269 0.000 A 120 VAL HB H 1 1.609 0.018 A 120 VAL HG11 H 1 1.165 0.000 A 120 VAL HG12 H 1 1.165 0.000 A 120 VAL HG13 H 1 1.165 0.000 A 120 VAL HG21 H 1 1.126 0.000 A 120 VAL HG22 H 1 1.126 0.000 A 120 VAL HG23 H 1 1.126 0.000 A 120 VAL C C 13 178.363 0.000 A 120 VAL CA C 13 63.931 0.111 A 120 VAL CB C 13 29.861 0.605 A 120 VAL CG1 C 13 26.578 0.001 A 120 VAL CG2 C 13 26.788 0.074 A 120 VAL N N 15 116.869 0.015 A 121 ARG H H 1 6.894 1.137 A 121 ARG HB2 H 1 1.917 0.010 A 121 ARG HB3 H 1 1.859 0.004 A 121 ARG CA C 13 63.651 0.016 A 121 ARG CB C 13 31.479 0.001 A 121 ARG N N 15 112.335 0.000 A 123 ASN H H 1 3.119 0.000 A 123 ASN HA H 1 3.874 0.000 A 123 ASN HB2 H 1 2.310 0.000 A 123 ASN HB3 H 1 2.232 0.000 A 123 ASN C C 13 174.138 0.000 A 123 ASN CA C 13 55.439 0.013 A 123 ASN CB C 13 40.670 0.141 A 124 SER H H 1 7.290 0.804 A 124 SER HA H 1 4.198 0.000 A 124 SER HB2 H 1 3.932 0.000 A 124 SER HB3 H 1 3.893 0.000 A 124 SER C C 13 175.234 0.000 A 124 SER CA C 13 57.168 0.099 A 124 SER CB C 13 64.619 0.030 A 124 SER N N 15 116.418 0.007 A 125 TRP H H 1 8.096 1.156 A 125 TRP HA H 1 4.046 0.000 A 125 TRP HB2 H 1 2.951 0.000 A 125 TRP HB3 H 1 2.889 0.000 A 125 TRP C C 13 174.106 0.000 A 125 TRP CA C 13 57.629 0.242 A 125 TRP CB C 13 32.354 0.478 A 125 TRP CD1 C 13 128.184 0.000 A 125 TRP CD2 C 13 127.963 0.000 A 125 TRP CE2 C 13 137.571 0.000 A 125 TRP N N 15 118.874 0.016 A 126 GLU H H 1 7.465 2.148 A 126 GLU HA H 1 4.187 0.000 A 126 GLU HB2 H 1 2.044 0.076 A 126 GLU HB3 H 1 2.003 0.056 A 126 GLU HG2 H 1 2.145 0.008 A 126 GLU HG3 H 1 2.094 0.010 A 126 GLU C C 13 173.836 0.000 A 126 GLU CA C 13 55.394 0.542 A 126 GLU CB C 13 29.924 0.230 A 126 GLU CG C 13 36.001 0.010 A 126 GLU N N 15 124.548 0.044 A 127 ALA H H 1 6.010 0.939 A 127 ALA HA H 1 4.136 0.000 A 127 ALA HB1 H 1 0.626 0.000 A 127 ALA HB2 H 1 0.626 0.000 A 127 ALA HB3 H 1 0.626 0.000 A 127 ALA C C 13 175.377 0.000 A 127 ALA CA C 13 50.506 0.794 A 127 ALA CB C 13 23.179 0.383 A 127 ALA N N 15 120.493 0.002 A 128 ILE H H 1 7.350 2.421 A 128 ILE HA H 1 5.097 0.000 A 128 ILE HB H 1 2.169 0.408 A 128 ILE HD11 H 1 1.544 0.000 A 128 ILE HD12 H 1 1.544 0.000 A 128 ILE HD13 H 1 1.544 0.000 A 128 ILE HG12 H 1 3.034 0.000 A 128 ILE HG13 H 1 3.034 0.000 A 128 ILE HG21 H 1 2.479 0.000 A 128 ILE HG22 H 1 2.479 0.000 A 128 ILE HG23 H 1 2.479 0.000 A 128 ILE C C 13 176.139 0.000 A 128 ILE CA C 13 55.141 0.061 A 128 ILE CB C 13 32.705 1.290 A 128 ILE CD1 C 13 18.294 0.023 A 128 ILE CG1 C 13 26.483 0.062 A 128 ILE CG2 C 13 18.715 0.110 A 128 ILE N N 15 118.272 0.005 A 129 ILE H H 1 6.606 1.904 A 129 ILE HA H 1 4.265 0.000 A 129 ILE HB H 1 2.381 0.000 A 129 ILE HD11 H 1 2.201 0.000 A 129 ILE HD12 H 1 2.201 0.000 A 129 ILE HD13 H 1 2.201 0.000 A 129 ILE HG12 H 1 2.310 0.000 A 129 ILE HG13 H 1 2.310 0.000 A 129 ILE HG21 H 1 2.248 0.000 A 129 ILE HG22 H 1 2.248 0.000 A 129 ILE HG23 H 1 2.248 0.000 A 129 ILE C C 13 175.694 0.000 A 129 ILE CA C 13 60.381 0.048 A 129 ILE CB C 13 40.570 2.108 A 129 ILE CD1 C 13 11.523 0.227 A 129 ILE CG1 C 13 29.786 0.017 A 129 ILE CG2 C 13 23.340 0.066 A 129 ILE N N 15 120.071 0.000 A 130 TRP H H 1 7.999 1.064 A 130 TRP HA H 1 4.429 0.000 A 130 TRP HB2 H 1 2.138 0.061 A 130 TRP HB3 H 1 2.037 0.025 A 130 TRP C C 13 177.537 0.000 A 130 TRP CA C 13 54.125 0.020 A 130 TRP CB C 13 33.307 0.056 A 130 TRP CD1 C 13 127.283 0.000 A 130 TRP CD2 C 13 128.569 0.000 A 130 TRP CE2 C 13 138.002 0.000 A 130 TRP N N 15 115.528 0.014 A 131 ASP H H 1 7.347 1.250 A 131 ASP HA H 1 4.175 0.000 A 131 ASP HB2 H 1 2.471 0.000 A 131 ASP HB3 H 1 2.111 0.000 A 131 ASP C C 13 179.268 0.000 A 131 ASP CA C 13 62.254 0.093 A 131 ASP CB C 13 39.590 0.197 A 131 ASP N N 15 127.564 0.019 A 132 TYR H H 1 6.827 1.225 A 132 TYR HA H 1 4.230 0.000 A 132 TYR HB2 H 1 3.776 0.000 A 132 TYR HB3 H 1 3.729 0.000 A 132 TYR C C 13 173.979 0.000 A 132 TYR CA C 13 59.631 1.384 A 132 TYR CB C 13 42.265 0.708 A 132 TYR CD1 C 13 133.330 0.000 A 132 TYR CD2 C 13 133.065 0.000 A 132 TYR CE1 C 13 114.029 0.041 A 132 TYR CE2 C 13 116.396 0.000 A 132 TYR CG C 13 124.435 0.000 A 132 TYR N N 15 118.241 0.089 A 133 PHE H H 1 7.450 0.984 A 133 PHE HA H 1 5.097 0.000 A 133 PHE HB2 H 1 3.149 0.102 A 133 PHE HB3 H 1 3.109 0.070 A 133 PHE C C 13 174.011 0.000 A 133 PHE CA C 13 52.361 0.278 A 133 PHE CB C 13 43.232 0.457 A 133 PHE CD1 C 13 133.192 0.007 A 133 PHE CD2 C 13 133.538 0.000 A 133 PHE CE1 C 13 130.474 0.000 A 133 PHE CE2 C 13 130.158 0.000 A 133 PHE CG C 13 130.800 0.000 A 133 PHE CZ C 13 121.580 0.000 A 133 PHE N N 15 123.214 0.000 A 134 TYR H H 1 7.503 1.024 A 134 TYR HA H 1 3.854 0.000 A 134 TYR HB2 H 1 2.681 0.012 A 134 TYR HB3 H 1 2.587 0.030 A 134 TYR C C 13 177.680 0.000 A 134 TYR CA C 13 61.277 0.101 A 134 TYR CB C 13 40.169 0.773 A 134 TYR CD1 C 13 133.159 0.000 A 134 TYR CD2 C 13 133.465 0.000 A 134 TYR CE1 C 13 114.294 0.000 A 134 TYR CE2 C 13 117.260 0.000 A 134 TYR CG C 13 124.660 0.000 A 134 TYR N N 15 118.628 0.006 A 135 TYR H H 1 7.314 0.988 A 135 TYR HA H 1 4.120 0.000 A 135 TYR HB2 H 1 3.362 0.000 A 135 TYR HB3 H 1 2.794 0.305 A 135 TYR C C 13 180.905 0.000 A 135 TYR CA C 13 54.667 0.450 A 135 TYR CB C 13 41.162 1.882 A 135 TYR CD1 C 13 133.324 0.000 A 135 TYR CD2 C 13 133.174 0.000 A 135 TYR CE1 C 13 115.839 0.025 A 135 TYR CE2 C 13 117.719 0.006 A 135 TYR CG C 13 124.988 0.006 A 135 TYR N N 15 119.629 0.000 A 136 ALA H H 1 7.536 1.452 A 136 ALA HA H 1 4.316 0.000 A 136 ALA HB1 H 1 1.892 0.000 A 136 ALA HB2 H 1 1.892 0.000 A 136 ALA HB3 H 1 1.892 0.000 A 136 ALA C C 13 180.428 0.000 A 136 ALA CA C 13 55.115 0.082 A 136 ALA CB C 13 17.772 0.058 A 136 ALA N N 15 122.808 0.002 A 137 ASP H H 1 8.500 1.489 A 137 ASP HA H 1 4.652 0.000 A 137 ASP HB2 H 1 2.901 0.000 A 137 ASP HB3 H 1 2.721 0.000 A 137 ASP C C 13 175.409 0.000 A 137 ASP CA C 13 54.963 0.235 A 137 ASP CB C 13 40.412 0.753 A 137 ASP N N 15 122.815 0.004 A 138 GLU H H 1 7.556 1.376 A 138 GLU CA C 13 54.640 0.171 A 138 GLU CB C 13 28.364 1.531 A 138 GLU CG C 13 30.319 0.038 A 138 GLU N N 15 118.863 0.006 A 139 VAL H H 1 8.059 0.004 A 139 VAL N N 15 118.076 0.000 A 141 PRO HA H 1 3.956 0.000 A 141 PRO HB2 H 1 2.385 0.000 A 141 PRO HB3 H 1 2.307 0.000 A 141 PRO HD2 H 1 2.940 0.000 A 141 PRO HD3 H 1 2.885 0.000 A 141 PRO HG2 H 1 2.064 0.000 A 141 PRO HG3 H 1 2.017 0.000 A 141 PRO C C 13 173.931 0.000 A 141 PRO CA C 13 59.934 0.031 A 141 PRO CB C 13 28.854 0.107 A 141 PRO CD C 13 52.468 0.000 A 141 PRO CG C 13 19.242 0.028 A 142 VAL H H 1 6.920 2.248 A 142 VAL HA H 1 4.155 0.000 A 142 VAL HB H 1 2.131 0.238 A 142 VAL HG11 H 1 0.360 0.000 A 142 VAL HG12 H 1 0.360 0.000 A 142 VAL HG13 H 1 0.360 0.000 A 142 VAL HG21 H 1 0.313 0.000 A 142 VAL HG22 H 1 0.313 0.000 A 142 VAL HG23 H 1 0.313 0.000 A 142 VAL C C 13 178.141 0.000 A 142 VAL CA C 13 58.394 0.345 A 142 VAL CB C 13 32.510 0.484 A 142 VAL CG1 C 13 18.649 0.017 A 142 VAL CG2 C 13 18.445 0.192 A 142 VAL N N 15 119.820 0.000 A 143 ASP H H 1 7.204 1.171 A 143 ASP HA H 1 5.078 0.000 A 143 ASP HB2 H 1 2.924 0.000 A 143 ASP HB3 H 1 2.627 0.000 A 143 ASP C C 13 176.838 0.000 A 143 ASP CA C 13 54.362 0.301 A 143 ASP CB C 13 42.007 0.230 A 143 ASP N N 15 118.613 0.000 A 144 TRP H H 1 7.504 0.610 A 144 TRP CA C 13 54.946 0.000 A 144 TRP CB C 13 29.552 0.024 A 144 TRP CD1 C 13 128.316 0.000 A 144 TRP CD2 C 13 128.808 0.000 A 144 TRP CE2 C 13 139.309 0.000 A 144 TRP N N 15 123.274 0.003 A 146 THR H H 1 2.709 1.470 A 146 THR HA H 1 4.847 0.000 A 146 THR HB H 1 4.179 0.000 A 146 THR HG21 H 1 0.169 0.000 A 146 THR HG22 H 1 0.169 0.000 A 146 THR HG23 H 1 0.169 0.000 A 146 THR C C 13 176.171 0.000 A 146 THR CA C 13 66.791 0.008 A 146 THR CB C 13 68.865 0.045 A 146 THR CG2 C 13 22.242 0.014 A 147 LYS H H 1 7.555 2.441 A 147 LYS HA H 1 4.628 0.000 A 147 LYS HB2 H 1 1.853 0.000 A 147 LYS HB3 H 1 1.798 0.000 A 147 LYS HD2 H 1 1.415 0.000 A 147 LYS HD3 H 1 1.353 0.000 A 147 LYS HE2 H 1 3.201 0.048 A 147 LYS HE3 H 1 3.108 0.099 A 147 LYS HG2 H 1 0.962 0.000 A 147 LYS HG3 H 1 0.907 0.000 A 147 LYS C C 13 173.407 0.000 A 147 LYS CA C 13 56.469 2.228 A 147 LYS CB C 13 32.181 0.797 A 147 LYS CD C 13 26.613 0.027 A 147 LYS CE C 13 43.543 0.000 A 147 LYS CG C 13 19.461 0.096 A 147 LYS N N 15 117.774 0.016 A 148 HIS H H 1 7.512 0.941 A 148 HIS HA H 1 3.835 0.000 A 148 HIS HB2 H 1 2.979 0.000 A 148 HIS HB3 H 1 2.541 0.000 A 148 HIS C C 13 176.076 0.000 A 148 HIS CA C 13 61.476 0.503 A 148 HIS CB C 13 31.803 0.627 A 148 HIS CD2 C 13 119.368 0.000 A 148 HIS CE1 C 13 137.628 0.000 A 148 HIS CG C 13 130.221 0.000 A 148 HIS N N 15 120.212 0.007 A 149 ILE H H 1 7.404 2.295 A 149 ILE HA H 1 3.807 0.000 A 149 ILE HB H 1 2.283 0.000 A 149 ILE HD11 H 1 0.954 0.000 A 149 ILE HD12 H 1 0.954 0.000 A 149 ILE HD13 H 1 0.954 0.000 A 149 ILE HG12 H 1 1.415 0.000 A 149 ILE HG13 H 1 1.415 0.000 A 149 ILE HG21 H 1 1.361 0.000 A 149 ILE HG22 H 1 1.361 0.000 A 149 ILE HG23 H 1 1.361 0.000 A 149 ILE C C 13 177.696 0.000 A 149 ILE CA C 13 54.027 0.209 A 149 ILE CB C 13 41.844 0.489 A 149 ILE CD1 C 13 13.987 0.073 A 149 ILE CG1 C 13 27.957 0.014 A 149 ILE CG2 C 13 14.447 0.133 A 149 ILE N N 15 119.860 0.007 A 150 GLU H H 1 7.627 1.528 A 150 GLU HA H 1 4.401 0.000 A 150 GLU HB2 H 1 1.586 0.096 A 150 GLU HB3 H 1 1.512 0.107 A 150 GLU HG2 H 1 2.549 0.000 A 150 GLU HG3 H 1 2.510 0.000 A 150 GLU C C 13 178.125 0.000 A 150 GLU CA C 13 55.164 0.032 A 150 GLU CB C 13 27.105 0.239 A 150 GLU CG C 13 28.011 0.038 A 150 GLU N N 15 121.315 0.000 A 151 SER H H 1 7.826 1.305 A 151 SER HA H 1 4.464 0.000 A 151 SER HB2 H 1 4.276 0.000 A 151 SER HB3 H 1 3.854 0.000 A 151 SER C C 13 174.074 0.000 A 151 SER CA C 13 64.553 0.917 A 151 SER CB C 13 66.715 2.431 A 151 SER N N 15 115.263 0.000 A 152 TYR H H 1 6.981 1.088 A 152 TYR HA H 1 4.269 0.000 A 152 TYR HB2 H 1 3.002 0.000 A 152 TYR HB3 H 1 2.948 0.000 A 152 TYR C C 13 178.776 0.000 A 152 TYR CA C 13 61.487 0.103 A 152 TYR CB C 13 40.390 1.114 A 152 TYR CD1 C 13 133.511 0.000 A 152 TYR CD2 C 13 133.202 0.000 A 152 TYR CE1 C 13 113.745 0.000 A 152 TYR CE2 C 13 118.303 0.000 A 152 TYR CG C 13 123.287 0.000 A 152 TYR N N 15 122.104 0.000 A 153 ARG H H 1 7.397 1.789 A 153 ARG HA H 1 4.992 0.000 A 153 ARG HB2 H 1 1.962 0.220 A 153 ARG HB3 H 1 1.228 0.000 A 153 ARG HD2 H 1 2.744 0.000 A 153 ARG HD3 H 1 2.690 0.000 A 153 ARG HG2 H 1 0.509 0.000 A 153 ARG HG3 H 1 0.454 0.000 A 153 ARG C C 13 177.156 0.000 A 153 ARG CA C 13 62.719 0.366 A 153 ARG CB C 13 32.813 0.413 A 153 ARG CD C 13 38.669 0.084 A 153 ARG CG C 13 27.640 0.096 A 153 ARG N N 15 121.744 0.012 A 154 LEU H H 1 7.571 2.265 A 154 LEU HB2 H 1 0.821 0.000 A 154 LEU HB3 H 1 0.774 0.000 A 154 LEU HD11 H 1 0.638 0.401 A 154 LEU HD12 H 1 0.638 0.401 A 154 LEU HD13 H 1 0.638 0.401 A 154 LEU HD21 H 1 0.659 0.362 A 154 LEU HD22 H 1 0.659 0.362 A 154 LEU HD23 H 1 0.659 0.362 A 154 LEU HG H 1 1.258 0.377 A 154 LEU C C 13 174.392 0.000 A 154 LEU CA C 13 58.208 0.285 A 154 LEU CB C 13 35.789 0.253 A 154 LEU CD1 C 13 20.976 0.006 A 154 LEU CD2 C 13 20.872 0.104 A 154 LEU CG C 13 21.380 0.007 A 154 LEU N N 15 116.096 0.002 A 155 ALA H H 1 8.105 1.313 A 155 ALA HA H 1 3.628 0.000 A 155 ALA HB1 H 1 1.603 0.000 A 155 ALA HB2 H 1 1.603 0.000 A 155 ALA HB3 H 1 1.603 0.000 A 155 ALA C C 13 178.585 0.000 A 155 ALA CA C 13 55.190 0.109 A 155 ALA CB C 13 17.925 0.098 A 155 ALA N N 15 123.573 0.000 A 156 CYS H H 1 7.932 1.367 A 156 CYS HA H 1 3.987 0.000 A 156 CYS HB2 H 1 2.222 0.244 A 156 CYS HB3 H 1 2.125 0.163 A 156 CYS C C 13 178.141 0.000 A 156 CYS CA C 13 63.754 0.038 A 156 CYS CB C 13 26.884 0.062 A 156 CYS N N 15 115.068 0.007 A 157 THR H H 1 7.630 1.738 A 157 THR HA H 1 4.132 0.000 A 157 THR HB H 1 3.811 0.000 A 157 THR HG21 H 1 1.061 0.047 A 157 THR HG22 H 1 1.061 0.047 A 157 THR HG23 H 1 1.061 0.047 A 157 THR C C 13 175.885 0.000 A 157 THR CA C 13 65.772 0.026 A 157 THR CB C 13 69.054 0.082 A 157 THR CG2 C 13 21.272 0.020 A 157 THR N N 15 115.602 0.001 A 158 SER H H 1 7.055 0.877 A 158 SER CA C 13 61.943 0.008 A 158 SER CB C 13 62.364 0.013 A 158 SER N N 15 117.572 0.016 A 159 LEU H H 1 1.710 1.477 A 159 LEU HA H 1 3.944 0.000 A 159 LEU HB2 H 1 1.107 0.133 A 159 LEU HB3 H 1 1.091 0.121 A 159 LEU HD11 H 1 0.534 0.186 A 159 LEU HD12 H 1 0.534 0.186 A 159 LEU HD13 H 1 0.534 0.186 A 159 LEU HD21 H 1 0.567 0.144 A 159 LEU HD22 H 1 0.567 0.144 A 159 LEU HD23 H 1 0.567 0.144 A 159 LEU HG H 1 1.465 0.116 A 159 LEU C C 13 177.537 0.000 A 159 LEU CA C 13 56.698 0.063 A 159 LEU CB C 13 42.871 0.038 A 159 LEU CD1 C 13 26.755 0.066 A 159 LEU CD2 C 13 26.704 0.235 A 159 LEU CG C 13 27.409 0.055 A 160 GLY H H 1 7.429 0.514 A 160 GLY HA2 H 1 3.585 0.000 A 160 GLY HA3 H 1 4.538 0.000 A 160 GLY C C 13 173.598 0.000 A 160 GLY CA C 13 43.999 0.040 A 160 GLY N N 15 107.140 0.007 A 161 ALA H H 1 7.832 1.796 A 161 ALA HA H 1 3.893 0.000 A 161 ALA HB1 H 1 1.423 0.000 A 161 ALA HB2 H 1 1.423 0.000 A 161 ALA HB3 H 1 1.423 0.000 A 161 ALA C C 13 180.110 0.000 A 161 ALA CA C 13 55.919 0.071 A 161 ALA CB C 13 18.935 0.094 A 161 ALA N N 15 125.075 0.007 A 162 GLU H H 1 8.110 2.033 A 162 GLU HA H 1 4.104 0.000 A 162 GLU HB2 H 1 1.314 0.000 A 162 GLU HB3 H 1 1.259 0.000 A 162 GLU HG2 H 1 2.412 0.025 A 162 GLU HG3 H 1 2.314 0.000 A 162 GLU C C 13 179.348 0.000 A 162 GLU CA C 13 60.178 0.052 A 162 GLU CB C 13 29.001 0.059 A 162 GLU CG C 13 36.786 0.008 A 162 GLU N N 15 117.667 0.022 A 163 LYS H H 1 7.114 2.086 A 163 LYS HA H 1 4.331 0.000 A 163 LYS HB2 H 1 1.869 0.000 A 163 LYS HB3 H 1 1.783 0.000 A 163 LYS HD2 H 1 1.144 0.213 A 163 LYS HD3 H 1 1.054 0.170 A 163 LYS HE2 H 1 3.120 0.000 A 163 LYS HE3 H 1 3.065 0.000 A 163 LYS HG2 H 1 0.878 0.003 A 163 LYS HG3 H 1 0.829 0.003 A 163 LYS C C 13 179.888 0.000 A 163 LYS CA C 13 59.218 0.024 A 163 LYS CB C 13 32.707 0.059 A 163 LYS CD C 13 26.666 0.017 A 163 LYS CE C 13 42.724 0.168 A 163 LYS CG C 13 23.638 0.004 A 163 LYS N N 15 119.727 0.000 A 164 VAL H H 1 7.539 1.914 A 164 VAL HA H 1 3.604 0.000 A 164 VAL HB H 1 2.029 0.346 A 164 VAL HG11 H 1 1.173 0.000 A 164 VAL HG12 H 1 1.173 0.000 A 164 VAL HG13 H 1 1.173 0.000 A 164 VAL HG21 H 1 1.148 0.019 A 164 VAL HG22 H 1 1.148 0.019 A 164 VAL HG23 H 1 1.148 0.019 A 164 VAL C C 13 177.537 0.000 A 164 VAL CA C 13 67.872 0.012 A 164 VAL CB C 13 31.914 0.098 A 164 VAL CG1 C 13 24.890 0.061 A 164 VAL CG2 C 13 21.702 0.007 A 164 VAL N N 15 120.464 0.000 A 165 GLU H H 1 7.465 1.435 A 165 GLU HA H 1 4.237 0.000 A 165 GLU HB2 H 1 2.228 0.000 A 165 GLU HB3 H 1 2.174 0.000 A 165 GLU HG2 H 1 2.504 0.007 A 165 GLU HG3 H 1 2.442 0.005 A 165 GLU C C 13 179.920 0.000 A 165 GLU CA C 13 59.100 0.039 A 165 GLU CB C 13 28.863 0.059 A 165 GLU CG C 13 35.673 0.001 A 165 GLU N N 15 117.925 0.000 A 166 VAL H H 1 7.042 1.776 A 166 VAL HA H 1 4.261 0.000 A 166 VAL HB H 1 2.213 0.000 A 166 VAL HG11 H 1 1.259 0.000 A 166 VAL HG12 H 1 1.259 0.000 A 166 VAL HG13 H 1 1.259 0.000 A 166 VAL HG21 H 1 1.212 0.000 A 166 VAL HG22 H 1 1.212 0.000 A 166 VAL HG23 H 1 1.212 0.000 A 166 VAL C C 13 175.885 0.000 A 166 VAL CA C 13 58.262 0.521 A 166 VAL CB C 13 31.526 0.762 A 166 VAL CG1 C 13 22.793 0.003 A 166 VAL CG2 C 13 21.209 0.001 A 166 VAL N N 15 121.588 0.002 A 167 LEU H H 1 7.034 2.332 A 167 LEU HA H 1 4.499 0.000 A 167 LEU HB2 H 1 1.566 0.252 A 167 LEU HB3 H 1 1.469 0.189 A 167 LEU HD11 H 1 1.262 0.047 A 167 LEU HD12 H 1 1.262 0.047 A 167 LEU HD13 H 1 1.262 0.047 A 167 LEU HD21 H 1 1.194 0.026 A 167 LEU HD22 H 1 1.194 0.026 A 167 LEU HD23 H 1 1.194 0.026 A 167 LEU HG H 1 1.470 0.000 A 167 LEU C C 13 178.840 0.000 A 167 LEU CA C 13 58.088 0.090 A 167 LEU CB C 13 42.937 0.014 A 167 LEU CD1 C 13 26.765 0.129 A 167 LEU CD2 C 13 26.736 0.088 A 167 LEU CG C 13 36.284 0.050 A 167 LEU N N 15 122.435 0.008 A 168 ARG H H 1 8.575 1.919 A 168 ARG HA H 1 3.284 0.000 A 168 ARG HB2 H 1 2.090 0.109 A 168 ARG HB3 H 1 1.767 0.000 A 168 ARG HD2 H 1 3.135 0.083 A 168 ARG HD3 H 1 3.093 0.052 A 168 ARG HG2 H 1 1.259 0.000 A 168 ARG HG3 H 1 1.204 0.000 A 168 ARG C C 13 178.458 0.000 A 168 ARG CA C 13 59.433 0.021 A 168 ARG CB C 13 30.004 0.043 A 168 ARG CD C 13 43.029 0.008 A 168 ARG CG C 13 26.901 0.007 A 168 ARG N N 15 121.583 0.008 A 169 ALA H H 1 7.672 1.232 A 169 ALA HA H 1 4.081 0.000 A 169 ALA HB1 H 1 1.486 0.000 A 169 ALA HB2 H 1 1.486 0.000 A 169 ALA HB3 H 1 1.486 0.000 A 169 ALA C C 13 180.603 0.000 A 169 ALA CA C 13 55.961 1.898 A 169 ALA CB C 13 18.029 0.094 A 169 ALA N N 15 121.124 0.004 A 170 ALA H H 1 7.339 1.195 A 170 ALA HA H 1 4.144 0.000 A 170 ALA HB1 H 1 1.752 0.000 A 170 ALA HB2 H 1 1.752 0.000 A 170 ALA HB3 H 1 1.752 0.000 A 170 ALA C C 13 175.250 0.000 A 170 ALA CA C 13 59.724 0.440 A 170 ALA CB C 13 18.688 0.132 A 170 ALA N N 15 120.810 0.000 A 171 PHE H H 1 7.156 0.792 A 171 PHE HA H 1 4.456 0.000 A 171 PHE HB2 H 1 2.875 0.059 A 171 PHE HB3 H 1 2.851 0.037 A 171 PHE C C 13 175.043 0.000 A 171 PHE CA C 13 57.064 0.055 A 171 PHE CB C 13 40.724 0.037 A 171 PHE CD1 C 13 132.923 0.000 A 171 PHE CD2 C 13 131.680 0.000 A 171 PHE CE1 C 13 129.688 0.000 A 171 PHE CE2 C 13 130.801 0.000 A 171 PHE CG C 13 134.865 0.000 A 171 PHE CZ C 13 121.945 0.018 A 171 PHE N N 15 118.133 0.013 A 172 ARG H H 1 7.192 2.057 A 172 ARG HA H 1 4.038 0.000 A 172 ARG HB2 H 1 1.939 0.000 A 172 ARG HB3 H 1 1.896 0.000 A 172 ARG HD2 H 1 1.640 0.748 A 172 ARG HD3 H 1 1.504 0.680 A 172 ARG HG2 H 1 2.090 0.216 A 172 ARG HG3 H 1 2.038 0.239 A 172 ARG C C 13 178.141 0.000 A 172 ARG CA C 13 57.071 1.036 A 172 ARG CB C 13 30.647 0.097 A 172 ARG CD C 13 44.175 0.008 A 172 ARG CG C 13 30.235 0.014 A 172 ARG N N 15 115.045 0.014 A 173 SER H H 1 7.495 0.871 A 173 SER HA H 1 5.644 0.000 A 173 SER HB2 H 1 3.987 0.000 A 173 SER HB3 H 1 3.925 0.000 A 173 SER C C 13 175.027 0.000 A 173 SER CA C 13 59.908 0.048 A 173 SER CB C 13 63.572 0.072 A 173 SER N N 15 113.025 0.011 A 174 ARG H H 1 6.697 1.607 A 174 ARG HA H 1 5.113 0.000 A 174 ARG HB2 H 1 1.626 0.000 A 174 ARG HB3 H 1 1.576 0.000 A 174 ARG HD2 H 1 3.055 0.290 A 174 ARG HD3 H 1 2.946 0.252 A 174 ARG HG2 H 1 1.941 0.242 A 174 ARG HG3 H 1 1.925 0.224 A 174 ARG C C 13 176.362 0.000 A 174 ARG CA C 13 56.800 0.078 A 174 ARG CB C 13 30.218 0.070 A 174 ARG CD C 13 41.252 0.011 A 174 ARG CG C 13 28.848 0.005 A 174 ARG N N 15 121.117 0.006 A 175 TYR H H 1 7.336 0.979 A 175 TYR HA H 1 4.597 0.000 A 175 TYR HB2 H 1 2.961 0.117 A 175 TYR HB3 H 1 2.838 0.021 A 175 TYR C C 13 179.824 0.000 A 175 TYR CA C 13 57.716 0.080 A 175 TYR CB C 13 41.419 0.315 A 175 TYR CD1 C 13 133.317 0.000 A 175 TYR CD2 C 13 133.112 0.000 A 175 TYR CE1 C 13 116.204 0.004 A 175 TYR CE2 C 13 117.884 0.000 A 175 TYR CG C 13 124.003 0.000 A 175 TYR N N 15 119.862 0.007 A 176 ALA H H 1 8.587 1.750 A 176 ALA HA H 1 4.175 0.000 A 176 ALA HB1 H 1 1.455 0.000 A 176 ALA HB2 H 1 1.455 0.000 A 176 ALA HB3 H 1 1.455 0.000 A 176 ALA C C 13 180.364 0.000 A 176 ALA CA C 13 54.358 0.229 A 176 ALA CB C 13 18.980 0.212 A 176 ALA N N 15 123.106 0.007 A 177 ALA H H 1 8.130 1.485 A 177 ALA HA H 1 3.901 0.000 A 177 ALA HB1 H 1 1.658 0.000 A 177 ALA HB2 H 1 1.658 0.000 A 177 ALA HB3 H 1 1.658 0.000 A 177 ALA C C 13 180.269 0.000 A 177 ALA CA C 13 55.604 0.025 A 177 ALA CB C 13 17.744 0.055 A 177 ALA N N 15 122.834 0.006 A 178 LEU H H 1 7.895 2.517 A 178 LEU HA H 1 4.198 0.000 A 178 LEU HB2 H 1 1.891 0.437 A 178 LEU HB3 H 1 1.785 0.427 A 178 LEU HD11 H 1 2.651 0.000 A 178 LEU HD12 H 1 2.651 0.000 A 178 LEU HD13 H 1 2.651 0.000 A 178 LEU HD21 H 1 2.596 0.000 A 178 LEU HD22 H 1 2.596 0.000 A 178 LEU HD23 H 1 2.596 0.000 A 178 LEU HG H 1 2.697 0.000 A 178 LEU C C 13 180.650 0.000 A 178 LEU CA C 13 57.577 0.035 A 178 LEU CB C 13 40.097 0.076 A 178 LEU CD1 C 13 14.950 0.095 A 178 LEU CD2 C 13 14.626 0.069 A 178 LEU CG C 13 28.725 0.021 A 178 LEU N N 15 121.337 0.017 A 179 GLU H H 1 7.191 1.255 A 179 GLU HA H 1 3.940 0.000 A 179 GLU HB2 H 1 1.017 0.000 A 179 GLU HB3 H 1 0.970 0.000 A 179 GLU HG2 H 1 1.431 0.000 A 179 GLU HG3 H 1 1.361 0.000 A 179 GLU C C 13 174.249 0.000 A 179 GLU CA C 13 59.117 0.071 A 179 GLU CB C 13 30.855 0.670 A 179 GLU CG C 13 41.485 0.023 A 179 GLU N N 15 119.478 0.003 A 180 HIS H H 1 7.711 1.051 A 180 HIS HB2 H 1 3.056 0.008 A 180 HIS HB3 H 1 2.996 0.003 A 180 HIS CA C 13 60.242 0.056 A 180 HIS CB C 13 30.335 0.009 A 180 HIS CD2 C 13 119.114 0.033 A 180 HIS CE1 C 13 137.429 0.000 A 180 HIS CG C 13 131.384 0.000 A 180 HIS N N 15 120.736 0.000 A 181 HIS H H 1 7.151 0.910 A 181 HIS HA H 1 4.257 0.000 A 181 HIS HB2 H 1 2.381 0.000 A 181 HIS HB3 H 1 2.076 0.000 A 181 HIS C C 13 176.775 0.000 A 181 HIS CA C 13 54.994 0.013 A 181 HIS CB C 13 32.688 0.033 A 181 HIS CD2 C 13 119.953 0.000 A 181 HIS CE1 C 13 137.269 0.000 A 181 HIS CG C 13 130.734 0.000 A 182 HIS H H 1 8.665 1.555 A 182 HIS HB2 H 1 2.942 0.002 A 182 HIS HB3 H 1 2.892 0.006 A 182 HIS CA C 13 58.601 0.001 A 182 HIS CB C 13 29.649 0.016 A 182 HIS CD2 C 13 120.388 0.000 A 182 HIS CE1 C 13 136.548 0.000 A 182 HIS CG C 13 129.379 0.000 A 182 HIS N N 15 127.775 0.015 A 183 HIS H H 1 6.797 0.764 A 183 HIS HA H 1 4.226 0.000 A 183 HIS HB2 H 1 2.658 0.000 A 183 HIS HB3 H 1 2.619 0.000 A 183 HIS C C 13 174.900 0.000 A 183 HIS CA C 13 53.364 0.068 A 183 HIS CB C 13 33.634 0.019 A 183 HIS CD2 C 13 121.188 0.000 A 183 HIS CE1 C 13 136.388 0.000 A 183 HIS CG C 13 130.186 0.000 A 184 HIS H H 1 7.329 1.198 A 184 HIS HA H 1 3.893 0.000 A 184 HIS HB2 H 1 2.986 0.352 A 184 HIS HB3 H 1 2.338 0.000 A 184 HIS C C 13 175.980 0.000 A 184 HIS CA C 13 53.068 0.046 A 184 HIS CB C 13 30.261 0.211 A 184 HIS CD2 C 13 121.466 0.008 A 184 HIS CE1 C 13 136.249 0.000 A 184 HIS CG C 13 129.761 0.000 A 184 HIS N N 15 124.778 0.000 A 185 HIS H H 1 7.280 1.350 A 185 HIS HB2 H 1 2.905 0.009 A 185 HIS HB3 H 1 2.873 0.020 A 185 HIS CA C 13 57.385 0.150 A 185 HIS CB C 13 27.584 0.096 A 185 HIS CD2 C 13 119.826 0.000 A 185 HIS CE1 C 13 136.240 0.003 A 185 HIS CG C 13 130.980 0.000 A 185 HIS N N 15 124.988 0.005 stop_ save_ save_CNS/XPLOR_distance_constraints_10 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_10 _nef_distance_restraint_list.restraint_origin noe _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 1 MET H1 A 2 ASP H 1.0 1.8 5.41 2 2 A 2 ASP H A 1 MET HE1 1.0 1.8 4.57 3 3 A 2 ASP H A 1 MET HB2 1.0 1.8 5.13 4 4 A 1 MET HB3 A 2 ASP HA 1.0 1.8 5.00 5 5 A 1 MET HB2 A 3 THR HG1 1.0 1.8 5.17 6 6 A 1 MET H1 A 3 THR H 1.0 1.8 5.02 7 7 A 1 MET H1 A 153 ARG H 1.0 1.8 5.42 8 8 A 1 MET H1 A 158 SER H 1.0 1.8 5.43 9 9 A 1 MET H1 A 159 LEU HD21 1.0 1.8 5.24 10 10 A 1 MET H1 A 164 VAL HG21 1.0 1.8 5.23 11 11 A 1 MET H1 A 166 VAL HG11 1.0 1.8 5.25 12 12 A 1 MET H1 A 170 ALA H 1.0 1.8 5.34 13 13 A 1 MET H1 A 174 ARG H 1.0 1.8 4.94 14 14 A 1 MET H1 A 180 HIS H 1.0 1.8 4.73 15 15 A 2 ASP H A 3 THR HA 1.0 1.8 5.42 16 16 A 2 ASP HB2 A 158 SER HBx 1.0 1.8 4.56 17 17 A 5 GLN H A 6 VAL H 1.0 1.8 5.17 18 18 A 5 GLN H A 6 VAL HG21 1.0 1.8 4.60 19 18 A 5 GLN H A 6 VAL HG11 1.0 1.8 4.60 20 19 A 7 THR H A 6 VAL HG21 1.0 1.8 5.24 21 20 A 8 LEU H A 6 VAL HG21 1.0 1.8 5.02 22 20 A 6 VAL HG11 A 8 LEU H 1.0 1.8 5.02 23 21 A 7 THR H A 8 LEU H 1.0 1.8 5.25 24 22 A 8 LEU H A 7 THR HA 1.0 1.8 4.74 25 23 A 7 THR HB A 11 LYS HG2 1.0 1.8 5.30 26 24 A 8 LEU H A 9 ILE HA 1.0 1.8 5.00 27 25 A 9 ILE HA A 8 LEU HA 1.0 1.8 5.31 28 26 A 8 LEU H A 9 ILE H 1.0 1.8 5.06 29 27 A 8 LEU HD21 A 12 ILE HG13 1.0 1.8 6.39 30 28 A 11 LYS HG2 A 9 ILE HD11 1.0 1.8 5.38 31 29 A 9 ILE H A 11 LYS H 1.0 1.8 5.07 32 30 A 12 ILE HG13 A 11 LYS HB2 1.0 1.8 5.54 33 31 A 12 ILE HG13 A 11 LYS H 1.0 1.8 4.87 34 32 A 11 LYS HG3 A 12 ILE H 1.0 1.8 4.83 35 33 A 12 ILE H A 11 LYS HE2 1.0 1.8 5.23 36 34 A 11 LYS H A 13 LEU H 1.0 1.8 5.42 37 35 A 13 LEU HA A 14 ALA H 1.0 1.8 5.02 38 36 A 14 ALA HB1 A 15 ALA H 1.0 1.8 5.19 39 37 A 15 ALA H A 14 ALA HA 1.0 1.8 5.16 40 38 A 16 ALA H A 17 ASP H 1.0 1.8 4.99 41 39 A 18 GLU HB3 A 19 ARG H 1.0 1.8 5.05 42 40 A 19 ARG H A 18 GLU HB2 1.0 1.8 5.05 43 41 A 19 ARG H A 20 ASN HB3 1.0 1.8 5.22 44 42 A 19 ARG HD2 A 37 ARG HGx 1.0 1.8 5.09 45 43 A 20 ASN H A 20 ASN HB2 1.0 1.8 4.22 46 44 A 21 LEU H A 22 PRO HD3 1.0 1.8 5.16 47 45 A 22 PRO HD3 A 21 LEU HG 1.0 1.8 5.13 48 46 A 22 PRO HD3 A 23 LEU H 1.0 1.8 4.92 49 47 A 22 PRO HD2 A 23 LEU HA 1.0 1.8 5.24 50 48 A 22 PRO HD2 A 23 LEU HD11 1.0 1.8 5.22 51 48 A 22 PRO HD2 A 23 LEU HD21 1.0 1.8 5.22 52 49 A 23 LEU HG A 24 TRP H 1.0 1.8 5.34 53 50 A 24 TRP H A 23 LEU HB3 1.0 1.8 4.82 54 51 A 25 ILE HG13 A 26 GLY H 1.0 1.8 5.15 55 52 A 26 GLY H A 25 ILE H 1.0 1.8 5.38 56 53 A 27 GLY H A 29 TRP HA 1.0 1.8 5.49 57 54 A 27 GLY HA2 A 29 TRP H 1.0 1.8 5.11 58 55 A 29 TRP HA A 28 GLY HA3 1.0 1.8 5.16 59 56 A 29 TRP HA A 28 GLY HA2 1.0 1.8 5.13 60 57 A 29 TRP H A 28 GLY HA2 1.0 1.8 4.90 61 58 A 29 TRP H A 28 GLY HA3 1.0 1.8 4.90 62 59 A 29 TRP HB3 A 29 TRP HB2 1.0 1.8 3.64 63 60 A 29 TRP H A 30 ALA HA 1.0 1.8 5.11 64 61 A 31 ILE HA A 32 ASP HA 1.0 1.8 6.63 65 62 A 31 ILE H A 32 ASP H 1.0 1.8 4.96 66 63 A 31 ILE HA A 32 ASP H 1.0 1.8 4.95 67 64 A 32 ASP HA A 31 ILE HG13 1.0 1.8 6.30 68 65 A 31 ILE H A 32 ASP HB3 1.0 1.8 5.20 69 66 A 31 ILE HG13 A 33 ALA H 1.0 1.8 6.63 70 67 A 31 ILE HD11 A 37 ARG H 1.0 1.8 5.15 71 68 A 31 ILE HD11 A 38 VAL HB 1.0 1.8 5.31 72 69 A 33 ALA HB1 A 34 ARG HD3 1.0 1.8 5.08 73 70 A 33 ALA HB1 A 183 HIS H 1.0 1.8 5.40 74 71 A 33 ALA H A 183 HIS H 1.0 1.8 5.31 75 72 A 34 ARG HG3 A 36 GLY HA3 1.0 1.8 5.25 76 73 A 36 GLY HA3 A 35 LEU H 1.0 1.8 5.06 77 74 A 37 ARG H A 36 GLY HA2 1.0 1.8 5.09 78 75 A 37 ARG HBy A 38 VAL H 1.0 1.8 5.20 79 76 A 37 ARG H A 38 VAL HG21 1.0 1.8 5.15 80 77 A 37 ARG HGx A 38 VAL HA 1.0 1.8 5.34 81 78 A 38 VAL H A 37 ARG HDx 1.0 1.8 5.14 82 79 A 38 VAL HG11 A 39 THR H 1.0 1.8 5.24 83 80 A 38 VAL H A 39 THR H 1.0 1.8 4.91 84 81 A 39 THR H A 39 THR HB 1.0 1.8 4.80 85 82 A 39 THR H A 40 ARG HA 1.0 1.8 5.15 86 83 A 39 THR HB A 40 ARG HD3 1.0 1.8 5.25 87 84 A 39 THR HA A 40 ARG H 1.0 1.8 5.08 88 85 A 40 ARG HG3 A 41 LYS H 1.0 1.8 5.19 89 86 A 40 ARG HA A 41 LYS HEy 1.0 1.8 7.54 90 86 A 40 ARG HA A 41 LYS HEx 1.0 1.8 7.54 91 87 A 41 LYS H A 40 ARG HG2 1.0 1.8 5.21 92 88 A 40 ARG H A 168 ARG HD2 1.0 1.8 5.27 93 89 A 41 LYS HB2 A 42 HIS HA 1.0 1.8 5.28 94 90 A 41 LYS HD3 A 42 HIS H 1.0 1.8 5.33 95 91 A 42 HIS H A 41 LYS HA 1.0 1.8 4.64 96 92 A 41 LYS HEx A 51 GLY H 1.0 1.8 5.02 97 93 A 41 LYS HEx A 51 GLY HA3 1.0 1.8 5.22 98 94 A 41 LYS HEx A 163 LYS HG2 1.0 1.8 6.56 99 95 A 41 LYS H A 168 ARG HG3 1.0 1.8 4.94 100 96 A 42 HIS HA A 42 HIS H 1.0 1.8 4.64 101 97 A 42 HIS HA A 43 ASP HB3 1.0 1.8 4.22 102 98 A 42 HIS H A 43 ASP H 1.0 1.8 4.57 103 99 A 42 HIS H A 44 ASP H 1.0 1.8 5.09 104 100 A 44 ASP H A 42 HIS HB2 1.0 1.8 5.39 105 101 A 168 ARG HD2 A 42 HIS H 1.0 1.8 4.74 106 102 A 42 HIS H A 168 ARG HB3 1.0 1.8 5.34 107 103 A 43 ASP HB3 A 44 ASP H 1.0 1.8 5.00 108 104 A 43 ASP HA A 47 LEU H 1.0 1.8 5.55 109 105 A 44 ASP HB2 A 47 LEU HD11 1.0 1.8 5.33 110 106 A 45 ILE H A 47 LEU HD21 1.0 1.8 5.51 111 107 A 47 LEU H A 45 ILE H 1.0 1.8 5.30 112 108 A 47 LEU H A 45 ILE HB 1.0 1.8 5.23 113 109 A 47 LEU H A 46 ASP H 1.0 1.8 5.23 114 110 A 46 ASP HA A 47 LEU HA 1.0 1.8 5.17 115 111 A 47 LEU H A 48 THR HB 1.0 1.8 5.49 116 112 A 47 LEU HB3 A 48 THR HA 1.0 1.8 4.92 117 113 A 48 THR H A 49 PHE H 1.0 1.8 5.32 118 114 A 51 GLY H A 50 PRO HG3 1.0 1.8 4.74 119 115 A 50 PRO HD2 A 52 GLU H 1.0 1.8 7.24 120 116 A 52 GLU H A 53 ARG H 1.0 1.8 5.28 121 117 A 53 ARG H A 52 GLU HB3 1.0 1.8 5.35 122 118 A 52 GLU HB3 A 57 LEU HD11 1.0 1.8 6.86 123 119 A 53 ARG HA A 55 GLY HA2 1.0 1.8 7.42 124 120 A 54 ARG H A 55 GLY HA3 1.0 1.8 5.30 125 121 A 55 GLY HA3 A 54 ARG HA 1.0 1.8 4.66 126 122 A 54 ARG H A 55 GLY H 1.0 1.8 5.43 127 123 A 55 GLY HA2 A 54 ARG HD3 1.0 1.8 5.32 128 124 A 54 ARG HG3 A 58 GLU H 1.0 1.8 7.42 129 125 A 55 GLY H A 56 GLU H 1.0 1.8 5.12 130 126 A 56 GLU HB2 A 57 LEU HA 1.0 1.8 7.13 131 127 A 56 GLU HB2 A 57 LEU H 1.0 1.8 4.76 132 128 A 56 GLU HB3 A 57 LEU HB2 1.0 1.8 7.35 133 128 A 56 GLU HB3 A 57 LEU HB3 1.0 1.8 7.35 134 129 A 57 LEU HA A 56 GLU HB3 1.0 1.8 5.42 135 130 A 57 LEU H A 56 GLU HB3 1.0 1.8 4.76 136 131 A 57 LEU HA A 56 GLU HA 1.0 1.8 5.20 137 132 A 56 GLU HB2 A 57 LEU HB2 1.0 1.8 7.35 138 132 A 56 GLU HB2 A 57 LEU HB3 1.0 1.8 7.35 139 133 A 57 LEU HG A 58 GLU HB3 1.0 1.8 5.31 140 134 A 57 LEU HD21 A 58 GLU HB2 1.0 1.8 5.31 141 135 A 57 LEU HD11 A 58 GLU H 1.0 1.8 5.30 142 136 A 58 GLU H A 58 GLU HG2 1.0 1.8 4.13 143 137 A 58 GLU HB2 A 59 ALA H 1.0 1.8 4.23 144 138 A 58 GLU HB2 A 60 ILE H 1.0 1.8 4.95 145 139 A 59 ALA H A 60 ILE HA 1.0 1.8 5.12 146 140 A 60 ILE H A 59 ALA HB1 1.0 1.8 4.92 147 141 A 60 ILE HB A 61 VAL H 1.0 1.8 5.09 148 142 A 60 ILE HG13 A 61 VAL HG21 1.0 1.8 4.12 149 143 A 61 VAL HG21 A 61 VAL HA 1.0 1.8 3.72 150 144 A 61 VAL HA A 62 GLU HB3 1.0 1.8 5.25 151 145 A 62 GLU H A 62 GLU HG3 1.0 1.8 4.60 152 146 A 62 GLU HB3 A 63 MET H 1.0 1.8 4.26 153 147 A 62 GLU HG3 A 63 MET H 1.0 1.8 4.26 154 148 A 63 MET HG3 A 64 LEU H 1.0 1.8 4.87 155 149 A 63 MET H A 64 LEU H 1.0 1.8 4.65 156 150 A 63 MET HA A 64 LEU HD21 1.0 1.8 6.63 157 151 A 64 LEU H A 65 GLY H 1.0 1.8 5.39 158 152 A 64 LEU HB2 A 75 GLY HA2 1.0 1.8 6.47 159 153 A 66 GLY HA2 A 67 ARG H 1.0 1.8 5.18 160 154 A 66 GLY HA2 A 67 ARG HB2 1.0 1.8 5.18 161 154 A 66 GLY HA2 A 67 ARG HB3 1.0 1.8 5.18 162 155 A 66 GLY H A 76 PHE H 1.0 1.8 5.30 163 156 A 67 ARG H A 68 VAL HG11 1.0 1.8 5.19 164 157 A 68 VAL HG21 A 69 MET H 1.0 1.8 4.08 165 158 A 69 MET HG2 A 70 GLU H 1.0 1.8 5.08 166 159 A 69 MET HB2 A 70 GLU HG3 1.0 1.8 5.30 167 160 A 69 MET HG3 A 70 GLU HB2 1.0 1.8 5.30 168 161 A 69 MET HG2 A 71 GLU H 1.0 1.8 5.35 169 162 A 69 MET HE1 A 128 ILE HD11 1.0 1.8 6.63 170 163 A 71 GLU H A 70 GLU HB3 1.0 1.8 6.55 171 164 A 70 GLU H A 71 GLU HA 1.0 1.8 4.88 172 165 A 70 GLU H A 72 LEU H 1.0 1.8 5.39 173 166 A 70 GLU H A 121 ARG HDy 1.0 1.8 5.28 174 167 A 71 GLU H A 72 LEU HB3 1.0 1.8 5.08 175 168 A 71 GLU HA A 72 LEU H 1.0 1.8 5.27 176 169 A 71 GLU HA A 72 LEU HD11 1.0 1.8 5.12 177 170 A 72 LEU H A 71 GLU HG2 1.0 1.8 5.42 178 171 A 71 GLU H A 72 LEU HD21 1.0 1.8 5.26 179 172 A 72 LEU HD11 A 72 LEU HD21 1.0 1.8 3.71 180 173 A 72 LEU HD11 A 72 LEU HB2 1.0 1.8 3.76 181 174 A 72 LEU HB3 A 73 ASP HA 1.0 1.8 4.82 182 175 A 72 LEU HB3 A 73 ASP HB2 1.0 1.8 5.33 183 176 A 74 TYR HB3 A 75 GLY H 1.0 1.8 4.87 184 177 A 75 GLY H A 74 TYR HA 1.0 1.8 5.21 185 178 A 75 GLY HA3 A 76 PHE HA 1.0 1.8 5.22 186 179 A 77 LEU HG A 117 GLY H 1.0 1.8 5.11 187 180 A 77 LEU HD21 A 118 ARG H 1.0 1.8 5.40 188 181 A 77 LEU HD21 A 121 ARG HGx 1.0 1.8 5.05 189 182 A 80 ILE H A 81 GLY HA3 1.0 1.8 5.21 190 183 A 82 ASP HB3 A 83 GLU HA 1.0 1.8 5.14 191 184 A 82 ASP H A 83 GLU HB3 1.0 1.8 5.51 192 185 A 82 ASP HA A 85 LEU HD21 1.0 1.8 5.72 193 186 A 83 GLU HB3 A 84 LEU H 1.0 1.8 4.74 194 187 A 84 LEU H A 83 GLU HG3 1.0 1.8 4.96 195 188 A 85 LEU HD21 A 84 LEU H 1.0 1.8 5.24 196 189 A 87 CYS HB3 A 87 CYS HA 1.0 1.8 4.62 197 190 A 87 CYS HA A 88 GLU H 1.0 1.8 5.27 198 191 A 87 CYS H A 88 GLU HA 1.0 1.8 5.24 199 192 A 88 GLU H A 89 PRO HD3 1.0 1.8 5.34 200 193 A 89 PRO HA A 90 ALA HA 1.0 1.8 5.30 201 194 A 92 TRP HB2 A 94 ASP H 1.0 1.8 5.19 202 195 A 93 ALA HA A 93 ALA HB1 1.0 1.8 4.51 203 196 A 93 ALA HA A 94 ASP HA 1.0 1.8 4.90 204 197 A 93 ALA HB1 A 97 TYR HB2 1.0 1.8 7.35 205 198 A 94 ASP HB3 A 95 GLU HB2 1.0 1.8 5.31 206 199 A 94 ASP HB3 A 95 GLU HB3 1.0 1.8 5.31 207 200 A 94 ASP HB2 A 95 GLU H 1.0 1.8 5.43 208 201 A 95 GLU H A 95 GLU HG3 1.0 1.8 4.59 209 202 A 95 GLU HG2 A 96 ALA HB1 1.0 1.8 5.06 210 203 A 96 ALA HB1 A 97 TYR H 1.0 1.8 5.32 211 204 A 97 TYR HA A 98 GLU H 1.0 1.8 7.35 212 205 A 97 TYR H A 98 GLU H 1.0 1.8 5.10 213 206 A 98 GLU H A 99 ILE HA 1.0 1.8 5.18 214 207 A 99 ILE HD11 A 101 GLU H 1.0 1.8 5.22 215 208 A 101 GLU H A 99 ILE HG13 1.0 1.8 5.16 216 209 A 99 ILE H A 101 GLU HA 1.0 1.8 5.55 217 210 A 101 GLU H A 100 ALA H 1.0 1.8 5.00 218 211 A 101 GLU HA A 102 ALA H 1.0 1.8 4.98 219 212 A 102 ALA H A 103 PRO HD3 1.0 1.8 5.01 220 213 A 104 GLN H A 105 GLY HA3 1.0 1.8 4.82 221 214 A 104 GLN H A 106 SER H 1.0 1.8 5.14 222 215 A 105 GLY H A 107 CYS H 1.0 1.8 5.26 223 216 A 107 CYS H A 108 PRO HD3 1.0 1.8 5.28 224 217 A 108 PRO HB2 A 110 ALA H 1.0 1.8 6.14 225 218 A 109 GLU H A 109 GLU HA 1.0 1.8 4.49 226 219 A 109 GLU HA A 110 ALA HA 1.0 1.8 5.03 227 220 A 110 ALA HA A 111 ALA H 1.0 1.8 5.13 228 221 A 110 ALA H A 112 GLU H 1.0 1.8 4.95 229 222 A 112 GLU H A 110 ALA HB1 1.0 1.8 4.70 230 223 A 111 ALA H A 112 GLU HG2 1.0 1.8 5.10 231 224 A 111 ALA H A 112 GLU H 1.0 1.8 5.07 232 225 A 111 ALA HA A 112 GLU HA 1.0 1.8 5.14 233 226 A 112 GLU H A 111 ALA HA 1.0 1.8 5.18 234 227 A 112 GLU H A 112 GLU HB3 1.0 1.8 4.15 235 228 A 113 GLY HA2 A 114 VAL HA 1.0 1.8 5.02 236 229 A 114 VAL H A 115 ILE HA 1.0 1.8 5.39 237 230 A 114 VAL H A 115 ILE HG1y 1.0 1.8 4.36 238 231 A 115 ILE HG1y A 114 VAL HG11 1.0 1.8 4.53 239 232 A 114 VAL HG11 A 115 ILE HB 1.0 1.8 5.16 240 233 A 116 ALA H A 116 ALA HA 1.0 1.8 4.52 241 234 A 117 GLY HA2 A 118 ARG HA 1.0 1.8 5.26 242 235 A 118 ARG H A 117 GLY HA2 1.0 1.8 5.16 243 236 A 118 ARG H A 117 GLY HA3 1.0 1.8 5.27 244 237 A 118 ARG HDx A 119 PRO HG3 1.0 1.8 6.66 245 238 A 118 ARG HDy A 119 PRO HA 1.0 1.8 6.74 246 239 A 119 PRO HG3 A 120 VAL H 1.0 1.8 5.21 247 240 A 119 PRO HA A 120 VAL H 1.0 1.8 5.42 248 241 A 120 VAL H A 119 PRO HG2 1.0 1.8 5.21 249 242 A 121 ARG HA A 122 CYS HBx 1.0 1.8 6.72 250 243 A 121 ARG HB3 A 122 CYS H 1.0 1.8 5.21 251 244 A 121 ARG HA A 122 CYS H 1.0 1.8 4.85 252 245 A 122 CYS H A 121 ARG H 1.0 1.8 5.08 253 246 A 122 CYS H A 123 ASN HA 1.0 1.8 5.11 254 247 A 123 ASN HB3 A 124 SER H 1.0 1.8 4.50 255 248 A 126 GLU HG2 A 127 ALA H 1.0 1.8 4.55 256 249 A 131 ASP H A 131 ASP HB3 1.0 1.8 4.72 257 250 A 131 ASP HA A 132 TYR HB3 1.0 1.8 5.27 258 251 A 132 TYR H A 133 PHE HA 1.0 1.8 5.13 259 252 A 132 TYR HA A 133 PHE H 1.0 1.8 4.74 260 253 A 134 TYR HA A 135 TYR H 1.0 1.8 4.84 261 254 A 136 ALA HB1 A 137 ASP H 1.0 1.8 5.30 262 255 A 136 ALA HB1 A 137 ASP HA 1.0 1.8 5.28 263 256 A 141 PRO HB3 A 142 VAL HG11 1.0 1.8 5.11 264 257 A 144 TRP HBx A 145 PRO HDx 1.0 1.8 4.57 265 258 A 144 TRP HBy A 146 THR H 1.0 1.8 5.17 266 259 A 146 THR H A 145 PRO HGy 1.0 1.8 6.78 267 260 A 146 THR H A 145 PRO HA 1.0 1.8 5.33 268 261 A 146 THR H A 147 LYS H 1.0 1.8 4.86 269 262 A 146 THR HB A 147 LYS HA 1.0 1.8 5.30 270 263 A 147 LYS HA A 148 HIS H 1.0 1.8 5.42 271 264 A 148 HIS H A 147 LYS HD3 1.0 1.8 5.19 272 265 A 149 ILE HD11 A 150 GLU HA 1.0 1.8 6.38 273 266 A 150 GLU HA A 149 ILE HG12 1.0 1.8 5.28 274 267 A 150 GLU HB2 A 151 SER H 1.0 1.8 5.37 275 268 A 151 SER HA A 152 TYR HB3 1.0 1.8 5.64 276 269 A 152 TYR HA A 152 TYR H 1.0 1.8 4.69 277 270 A 152 TYR H A 154 LEU H 1.0 1.8 4.96 278 271 A 153 ARG H A 154 LEU HD21 1.0 1.8 5.03 279 272 A 154 LEU H A 153 ARG HG3 1.0 1.8 5.16 280 273 A 154 LEU H A 154 LEU HG 1.0 1.8 4.80 281 274 A 154 LEU HB3 A 155 ALA H 1.0 1.8 5.24 282 275 A 154 LEU HB2 A 155 ALA HB1 1.0 1.8 5.30 283 276 A 154 LEU H A 155 ALA H 1.0 1.8 5.23 284 277 A 157 THR HG1 A 158 SER HBy 1.0 1.8 6.11 285 278 A 159 LEU H A 160 GLY HA3 1.0 1.8 5.02 286 279 A 160 GLY H A 161 ALA HB1 1.0 1.8 5.35 287 280 A 160 GLY HA2 A 162 GLU H 1.0 1.8 5.02 288 281 A 162 GLU H A 161 ALA HA 1.0 1.8 5.19 289 282 A 162 GLU HG2 A 163 LYS H 1.0 1.8 5.26 290 283 A 163 LYS HD3 A 164 VAL H 1.0 1.8 5.14 291 284 A 163 LYS H A 164 VAL HA 1.0 1.8 5.39 292 285 A 164 VAL H A 163 LYS HB3 1.0 1.8 4.74 293 286 A 164 VAL HB A 165 GLU H 1.0 1.8 5.23 294 287 A 165 GLU HA A 165 GLU HB2 1.0 1.8 4.33 295 288 A 166 VAL H A 167 LEU H 1.0 1.8 5.39 296 289 A 167 LEU HA A 168 ARG H 1.0 1.8 4.96 297 290 A 167 LEU H A 169 ALA H 1.0 1.8 5.22 298 291 A 170 ALA H A 168 ARG H 1.0 1.8 4.96 299 292 A 171 PHE H A 171 PHE HA 1.0 1.8 4.50 300 293 A 172 ARG H A 172 ARG HG2 1.0 1.8 4.45 301 294 A 172 ARG HB3 A 173 SER H 1.0 1.8 5.23 302 295 A 173 SER H A 175 TYR H 1.0 1.8 4.75 303 296 A 176 ALA HB1 A 177 ALA H 1.0 1.8 5.24 304 297 A 179 GLU H A 178 LEU HD11 1.0 1.8 5.29 305 297 A 178 LEU HD21 A 179 GLU H 1.0 1.8 5.29 306 298 A 179 GLU H A 178 LEU HB2 1.0 1.8 5.27 307 299 A 180 HIS H A 179 GLU H 1.0 1.8 5.32 308 300 A 180 HIS HA A 181 HIS H 1.0 1.8 5.23 309 301 A 181 HIS H A 181 HIS HB3 1.0 1.8 4.75 310 302 A 183 HIS H A 182 HIS H 1.0 1.8 4.68 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _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 3 THR O A 7 THR N 1.0 0.0 0.0 2 2 A 4 THR O A 8 LEU N 1.0 0.0 0.0 3 3 A 5 GLN O A 9 ILE N 1.0 0.0 0.0 4 4 A 6 VAL O A 10 HIS N 1.0 0.0 0.0 5 5 A 7 THR O A 11 LYS N 1.0 0.0 0.0 6 6 A 8 LEU O A 12 ILE N 1.0 0.0 0.0 7 7 A 9 ILE O A 13 LEU N 1.0 0.0 0.0 8 8 A 10 HIS O A 14 ALA N 1.0 0.0 0.0 9 9 A 11 LYS O A 15 ALA N 1.0 0.0 0.0 10 10 A 12 ILE O A 16 ALA N 1.0 0.0 0.0 11 11 A 13 LEU O A 17 ASP N 1.0 0.0 0.0 12 12 A 14 ALA O A 18 GLU N 1.0 0.0 0.0 13 13 A 16 ALA O A 20 ASN N 1.0 0.0 0.0 14 14 A 16 ALA O A 21 LEU N 1.0 0.0 0.0 15 15 A 24 TRP O A 48 THR N 1.0 0.0 0.0 16 16 A 25 ILE O A 123 ASN N 1.0 0.0 0.0 17 17 A 27 GLY O A 31 ILE N 1.0 0.0 0.0 18 18 A 28 GLY O A 32 ASP N 1.0 0.0 0.0 19 19 A 29 TRP O A 33 ALA N 1.0 0.0 0.0 20 20 A 30 ALA O A 34 ARG N 1.0 0.0 0.0 21 21 A 31 ILE O A 35 LEU N 1.0 0.0 0.0 22 22 A 36 GLY N A 32 ASP O 1.0 0.0 0.0 23 23 A 37 ARG N A 32 ASP O 1.0 0.0 0.0 24 24 A 33 ALA O A 114 VAL N 1.0 0.0 0.0 25 25 A 45 ILE O A 86 ASP N 1.0 0.0 0.0 26 26 A 46 ASP O A 26 GLY N 1.0 0.0 0.0 27 27 A 47 LEU O A 88 GLU N 1.0 0.0 0.0 28 28 A 48 THR O A 24 TRP N 1.0 0.0 0.0 29 29 A 49 PHE O A 90 ALA N 1.0 0.0 0.0 30 30 A 50 PRO O A 53 ARG N 1.0 0.0 0.0 31 31 A 53 ARG O A 56 GLU N 1.0 0.0 0.0 32 32 A 54 ARG O A 58 GLU N 1.0 0.0 0.0 33 33 A 55 GLY O A 59 ALA N 1.0 0.0 0.0 34 34 A 56 GLU O A 60 ILE N 1.0 0.0 0.0 35 35 A 57 LEU O A 61 VAL N 1.0 0.0 0.0 36 36 A 62 GLU N A 58 GLU O 1.0 0.0 0.0 37 37 A 59 ALA O A 63 MET N 1.0 0.0 0.0 38 38 A 60 ILE O A 64 LEU N 1.0 0.0 0.0 39 39 A 61 VAL O A 66 GLY N 1.0 0.0 0.0 40 40 A 79 GLU N A 67 ARG O 1.0 0.0 0.0 41 41 A 70 GLU O A 77 LEU N 1.0 0.0 0.0 42 42 A 75 GLY O A 72 LEU N 1.0 0.0 0.0 43 43 A 76 PHE O A 87 CYS N 1.0 0.0 0.0 44 44 A 77 LEU O A 69 MET N 1.0 0.0 0.0 45 45 A 78 ALA O A 85 LEU N 1.0 0.0 0.0 46 46 A 79 GLU O A 67 ARG N 1.0 0.0 0.0 47 47 A 80 ILE O A 83 GLU N 1.0 0.0 0.0 48 48 A 83 GLU O A 80 ILE N 1.0 0.0 0.0 49 49 A 84 LEU O A 45 ILE N 1.0 0.0 0.0 50 50 A 85 LEU O A 78 ALA N 1.0 0.0 0.0 51 51 A 86 ASP O A 47 LEU N 1.0 0.0 0.0 52 52 A 87 CYS O A 76 PHE N 1.0 0.0 0.0 53 53 A 88 GLU O A 49 PHE N 1.0 0.0 0.0 54 54 A 90 ALA O A 51 GLY N 1.0 0.0 0.0 55 55 A 91 TRP O A 98 GLU N 1.0 0.0 0.0 56 56 A 96 ALA O A 93 ALA N 1.0 0.0 0.0 57 57 A 98 GLU O A 91 TRP N 1.0 0.0 0.0 58 58 A 99 ILE O A 102 ALA N 1.0 0.0 0.0 59 59 A 106 SER O A 124 SER N 1.0 0.0 0.0 60 60 A 113 GLY O A 120 VAL N 1.0 0.0 0.0 61 61 A 118 ARG O A 115 ILE N 1.0 0.0 0.0 62 62 A 120 VAL O A 113 GLY N 1.0 0.0 0.0 63 63 A 121 ARG O A 25 ILE N 1.0 0.0 0.0 64 64 A 124 SER O A 128 ILE N 1.0 0.0 0.0 65 65 A 125 TRP O A 129 ILE N 1.0 0.0 0.0 66 66 A 126 GLU O A 130 TRP N 1.0 0.0 0.0 67 67 A 131 ASP O A 135 TYR N 1.0 0.0 0.0 68 68 A 132 TYR O A 136 ALA N 1.0 0.0 0.0 69 69 A 135 TYR O A 139 VAL N 1.0 0.0 0.0 70 70 A 140 PRO O A 143 ASP N 1.0 0.0 0.0 71 71 A 145 PRO O A 148 HIS N 1.0 0.0 0.0 72 72 A 146 THR O A 150 GLU N 1.0 0.0 0.0 73 73 A 147 LYS O A 151 SER N 1.0 0.0 0.0 74 74 A 148 HIS O A 152 TYR N 1.0 0.0 0.0 75 75 A 149 ILE O A 153 ARG N 1.0 0.0 0.0 76 76 A 150 GLU O A 154 LEU N 1.0 0.0 0.0 77 77 A 151 SER O A 155 ALA N 1.0 0.0 0.0 78 78 A 152 TYR O A 156 CYS N 1.0 0.0 0.0 79 79 A 153 ARG O A 157 THR N 1.0 0.0 0.0 80 80 A 154 LEU O A 158 SER N 1.0 0.0 0.0 81 81 A 155 ALA O A 159 LEU N 1.0 0.0 0.0 82 82 A 156 CYS O A 160 GLY N 1.0 0.0 0.0 83 83 A 164 VAL N A 160 GLY O 1.0 0.0 0.0 84 84 A 161 ALA O A 165 GLU N 1.0 0.0 0.0 85 85 A 162 GLU O A 166 VAL N 1.0 0.0 0.0 86 86 A 163 LYS O A 167 LEU N 1.0 0.0 0.0 87 87 A 164 VAL O A 168 ARG N 1.0 0.0 0.0 88 88 A 165 GLU O A 169 ALA N 1.0 0.0 0.0 89 89 A 166 VAL O A 170 ALA N 1.0 0.0 0.0 90 90 A 167 LEU O A 171 PHE N 1.0 0.0 0.0 91 91 A 168 ARG O A 172 ARG N 1.0 0.0 0.0 92 92 A 169 ALA O A 173 SER N 1.0 0.0 0.0 93 93 A 170 ALA O A 174 ARG N 1.0 0.0 0.0 94 94 A 171 PHE O A 175 TYR N 1.0 0.0 0.0 95 95 A 172 ARG O A 176 ALA N 1.0 0.0 0.0 stop_ save_ save_DYANA/DIANA_distance_constraints_8 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_8 _nef_distance_restraint_list.restraint_origin hbond _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 32 ASP O A 13 LEU N 1.0 . 3.3 2 2 A 19 ARG O A 23 LEU N 1.0 . 3.3 3 3 A 20 ASN O A 24 TRP N 1.0 . 3.3 4 4 A 22 PRO O A 26 GLY N 1.0 . 3.3 5 5 A 141 PRO O A 62 GLU N 1.0 . 3.3 6 6 A 58 GLU O A 75 GLY N 1.0 . 3.3 7 7 A 65 GLY O A 76 PHE N 1.0 . 3.3 8 8 A 138 GLU O A 82 ASP N 1.0 . 3.3 9 9 A 81 GLY O A 85 LEU N 1.0 . 3.3 10 10 A 67 ARG O A 90 ALA N 1.0 . 3.3 11 11 A 127 ALA O A 131 ASP N 1.0 . 3.3 12 12 A 160 GLY O A 142 VAL N 1.0 . 3.3 13 13 A 152 TYR O A 156 CYS N 1.0 . 3.3 14 14 A 166 VAL O A 170 ALA N 1.0 . 3.3 15 15 A 167 LEU O A 171 PHE N 1.0 . 3.3 16 16 A 170 ALA O A 174 ARG N 1.0 . 3.3 17 17 A 171 PHE O A 175 TYR N 1.0 . 3.3 stop_ save_ save_CNS/XPLOR_distance_constraints_9 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_9 _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 13 LEU H A 32 ASP O 1.0 1.8 2.2 2 2 A 32 ASP O A 13 LEU N 1.0 2.7 3.3 3 3 A 23 LEU H A 19 ARG O 1.0 1.8 2.2 4 4 A 19 ARG O A 23 LEU N 1.0 2.7 3.3 5 5 A 24 TRP H A 20 ASN O 1.0 1.8 2.2 6 6 A 20 ASN O A 24 TRP N 1.0 2.7 3.3 7 7 A 26 GLY H A 22 PRO O 1.0 1.8 2.2 8 8 A 22 PRO O A 26 GLY N 1.0 2.7 3.3 9 9 A 62 GLU H A 141 PRO O 1.0 1.8 2.2 10 10 A 141 PRO O A 62 GLU N 1.0 2.7 3.3 11 11 A 75 GLY H A 58 GLU O 1.0 1.8 2.2 12 12 A 58 GLU O A 75 GLY N 1.0 2.7 3.3 13 13 A 76 PHE H A 65 GLY O 1.0 1.8 2.2 14 14 A 65 GLY O A 76 PHE N 1.0 2.7 3.3 15 15 A 82 ASP H A 138 GLU O 1.0 1.8 2.2 16 16 A 138 GLU O A 82 ASP N 1.0 2.7 3.3 17 17 A 81 GLY O A 85 LEU H 1.0 1.8 2.2 18 18 A 81 GLY O A 85 LEU N 1.0 2.7 3.3 19 19 A 67 ARG O A 90 ALA H 1.0 1.8 2.2 20 20 A 67 ARG O A 90 ALA N 1.0 2.7 3.3 21 21 A 131 ASP H A 127 ALA O 1.0 1.8 2.2 22 22 A 127 ALA O A 131 ASP N 1.0 2.7 3.3 23 23 A 160 GLY O A 142 VAL H 1.0 1.8 2.2 24 24 A 160 GLY O A 142 VAL N 1.0 2.7 3.3 25 25 A 152 TYR O A 156 CYS H 1.0 1.8 2.2 26 26 A 152 TYR O A 156 CYS N 1.0 2.7 3.3 27 27 A 170 ALA H A 166 VAL O 1.0 1.8 2.2 28 28 A 166 VAL O A 170 ALA N 1.0 2.7 3.3 29 29 A 171 PHE H A 167 LEU O 1.0 1.8 2.2 30 30 A 167 LEU O A 171 PHE N 1.0 2.7 3.3 31 31 A 174 ARG H A 170 ALA O 1.0 1.8 2.2 32 32 A 170 ALA O A 174 ARG N 1.0 2.7 3.3 33 33 A 175 TYR H A 171 PHE O 1.0 1.8 2.2 34 34 A 171 PHE O A 175 TYR N 1.0 2.7 3.3 stop_ save_