data_nef_c25512_2n01 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 17257 PDB 2L4W PDB 2N01 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 23 ACE start . . 2 A 24 THR middle . . 3 A 25 LYS middle . . 4 A 26 PRO middle . false 5 A 27 ALA middle . . 6 A 28 PRO middle . false 7 A 29 ASP middle . . 8 A 30 PHE middle . . 9 A 31 GLY middle . false 10 A 32 GLY middle . false 11 A 33 ARG middle . . 12 A 34 TRP middle . . 13 A 35 LYS middle . . 14 A 36 HIS middle . . 15 A 37 VAL middle . . 16 A 38 ASN middle . . 17 A 39 HIS middle . . 18 A 40 PHE middle . . 19 A 41 ASP middle . . 20 A 42 GLU middle . . 21 A 43 ALA middle . . 22 A 44 PRO middle . false 23 A 45 THR middle . . 24 A 46 GLU middle . . 25 A 47 NH2 end . . 26 B 150 GLY start . false 27 B 151 SER middle . . 28 B 152 HIS middle . . 29 B 153 MET middle . . 30 B 154 ASN middle . . 31 B 155 ALA middle . . 32 B 156 LYS middle . . 33 B 157 ILE middle . . 34 B 158 LEU middle . . 35 B 159 LYS middle . . 36 B 160 ASP middle . . 37 B 161 ARG middle . . 38 B 162 ARG middle . . 39 B 163 TYR middle . . 40 B 164 TYR middle . . 41 B 165 TYR middle . . 42 B 166 ASP middle . . 43 B 167 TYR middle . . 44 B 168 ASP middle . . 45 B 169 TYR middle . . 46 B 170 ALA middle . . 47 B 171 THR middle . . 48 B 172 ARG middle . . 49 B 173 THR middle . . 50 B 174 LYS middle . . 51 B 175 LYS middle . . 52 B 176 SER middle . . 53 B 177 TRP middle . . 54 B 178 LEU middle . . 55 B 179 ILE middle . . 56 B 180 PRO middle . false 57 B 181 SER middle . . 58 B 182 ARG middle . . 59 B 183 VAL middle . . 60 B 184 TYR middle . . 61 B 185 ASP middle . . 62 B 186 ASP middle . . 63 B 187 GLY middle . false 64 B 188 LYS middle . . 65 B 189 PHE middle . . 66 B 190 THR middle . . 67 B 191 TYR middle . . 68 B 192 ILE middle . . 69 B 193 ASN middle . . 70 B 194 MET middle . . 71 B 195 ASP middle . . 72 B 196 LEU middle . . 73 B 197 THR middle . . 74 B 198 ARG middle . . 75 B 199 PHE middle . . 76 B 200 PRO middle . false 77 B 201 THR middle . . 78 B 202 GLY middle . false 79 B 203 ASN middle . . 80 B 204 PHE middle . . 81 B 205 PRO middle . false 82 B 206 ALA middle . . 83 B 207 VAL middle . . 84 B 208 PHE middle . . 85 B 209 ALA middle . . 86 B 210 ARG middle . . 87 B 211 GLU middle . . 88 B 212 LYS middle . . 89 B 213 GLU middle . . 90 B 214 HIS middle . . 91 B 215 ALA middle . . 92 B 216 GLU middle . . 93 B 217 ASP middle . . 94 B 218 PHE middle . . 95 B 219 LEU middle . . 96 B 220 VAL middle . . 97 B 221 ASN middle . . 98 B 222 THR middle . . 99 B 223 THR middle . . 100 B 224 VAL middle . . 101 B 225 GLU middle . . 102 B 226 GLY middle . false 103 B 227 ASN middle . . 104 B 228 THR middle . . 105 B 229 LEU middle . . 106 B 230 ILE middle . . 107 B 231 VAL middle . . 108 B 232 HIS middle . . 109 B 233 GLY middle . false 110 B 234 THR middle . . 111 B 235 TYR middle . . 112 B 236 PRO middle . false 113 B 237 PHE middle . . 114 B 238 LEU middle . . 115 B 239 VAL middle . . 116 B 240 VAL middle . . 117 B 241 ARG middle . . 118 B 242 HIS middle . . 119 B 243 GLY middle . false 120 B 244 ASP middle . . 121 B 245 ASN middle . . 122 B 246 VAL middle . . 123 B 247 VAL middle . . 124 B 248 GLY middle . false 125 B 249 LEU middle . . 126 B 250 ARG middle . . 127 B 251 ARG middle . . 128 B 252 ASN middle . . 129 B 253 LYS middle . . 130 B 254 GLN middle . . 131 B 255 LYS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 25 LYS H H 1 8.300 0.003 A 25 LYS HA H 1 4.644 0.002 A 25 LYS HB2 H 1 1.814 0.003 A 25 LYS HB3 H 1 1.814 0.003 A 25 LYS HGy H 1 1.483 0.003 A 25 LYS HGx H 1 1.450 0.004 A 25 LYS HDy H 1 1.714 0.003 A 25 LYS HDx H 1 1.695 0.004 A 25 LYS HE2 H 1 3.003 0.003 A 25 LYS HE3 H 1 3.003 0.003 A 26 PRO HA H 1 4.367 0.002 A 26 PRO HBx H 1 1.960 0.000 A 26 PRO HBy H 1 2.233 0.001 A 26 PRO HGx H 1 1.831 0.001 A 26 PRO HGy H 1 1.975 0.003 A 26 PRO HDx H 1 3.602 0.002 A 26 PRO HDy H 1 3.814 0.001 A 27 ALA H H 1 8.519 0.001 A 27 ALA HA H 1 4.497 0.006 A 27 ALA HB% H 1 1.224 0.002 A 28 PRO HA H 1 4.340 0.002 A 28 PRO HBy H 1 2.253 0.003 A 28 PRO HBx H 1 1.762 0.002 A 28 PRO HGx H 1 1.893 0.002 A 28 PRO HGy H 1 1.984 0.002 A 28 PRO HDy H 1 3.742 0.002 A 28 PRO HDx H 1 3.539 0.002 A 29 ASP H H 1 8.417 0.001 A 29 ASP HA H 1 4.803 0.004 A 29 ASP HBy H 1 2.626 0.000 A 29 ASP HBx H 1 2.543 0.003 A 30 PHE H H 1 8.198 0.004 A 30 PHE HA H 1 4.832 0.011 A 30 PHE HBy H 1 3.186 0.003 A 30 PHE HBx H 1 2.834 0.005 A 30 PHE HDx H 1 6.917 0.002 A 30 PHE HDy H 1 6.917 0.002 A 31 GLY H H 1 7.414 0.004 A 31 GLY HAy H 1 3.928 0.006 A 31 GLY HAx H 1 3.745 0.005 A 32 GLY H H 1 7.745 0.002 A 32 GLY HAy H 1 4.161 0.004 A 32 GLY HAx H 1 3.735 0.004 A 33 ARG H H 1 8.070 0.002 A 33 ARG HA H 1 4.337 0.002 A 33 ARG HBx H 1 1.691 0.003 A 33 ARG HBy H 1 1.767 0.002 A 33 ARG HGx H 1 1.627 0.000 A 33 ARG HGy H 1 1.641 0.003 A 33 ARG HD2 H 1 3.226 0.003 A 33 ARG HD3 H 1 3.226 0.003 A 33 ARG HE H 1 7.191 0.001 A 34 TRP H H 1 7.979 0.002 A 34 TRP HA H 1 4.671 0.003 A 34 TRP HBy H 1 3.037 0.000 A 34 TRP HBx H 1 3.032 0.003 A 34 TRP HD1 H 1 7.420 0.002 A 34 TRP HE1 H 1 10.252 0.002 A 34 TRP HZ2 H 1 7.626 0.002 A 34 TRP HZ3 H 1 7.079 0.004 A 34 TRP HH2 H 1 6.780 0.007 A 35 LYS H H 1 9.155 0.003 A 35 LYS HA H 1 4.519 0.002 A 35 LYS HBx H 1 1.684 0.004 A 35 LYS HBy H 1 1.685 0.003 A 35 LYS HGx H 1 0.936 0.004 A 35 LYS HGy H 1 0.939 0.002 A 35 LYS HDx H 1 1.254 0.001 A 35 LYS HDy H 1 1.255 0.001 A 35 LYS HE2 H 1 2.961 0.003 A 35 LYS HE3 H 1 2.961 0.003 A 36 HIS H H 1 8.615 0.001 A 36 HIS HA H 1 5.718 0.003 A 36 HIS HBx H 1 3.283 0.003 A 36 HIS HBy H 1 3.616 0.004 A 36 HIS HD1 H 1 8.514 0.002 A 36 HIS HD2 H 1 7.504 0.003 A 36 HIS HE1 H 1 8.760 0.003 A 37 VAL H H 1 8.813 0.003 A 37 VAL HA H 1 4.194 0.003 A 37 VAL HB H 1 2.106 0.004 A 37 VAL HGx% H 1 1.090 0.004 A 37 VAL HGy% H 1 0.925 0.003 A 38 ASN H H 1 8.911 0.002 A 38 ASN HA H 1 4.947 0.002 A 38 ASN HBx H 1 2.355 0.012 A 38 ASN HBy H 1 3.002 0.003 A 39 HIS H H 1 8.500 0.002 A 39 HIS HA H 1 4.742 0.001 A 39 HIS HBx H 1 3.155 0.003 A 39 HIS HBy H 1 3.281 0.002 A 39 HIS HD1 H 1 8.512 0.002 A 39 HIS HD2 H 1 7.352 0.001 A 39 HIS HE1 H 1 8.630 0.003 A 40 PHE H H 1 8.330 0.003 A 40 PHE HA H 1 4.715 0.005 A 40 PHE HBx H 1 2.861 0.002 A 40 PHE HBy H 1 3.194 0.004 A 40 PHE HDx H 1 7.146 0.002 A 40 PHE HDy H 1 7.146 0.002 A 40 PHE HEx H 1 7.048 0.005 A 40 PHE HEy H 1 7.048 0.005 A 40 PHE HZ H 1 6.809 0.001 A 41 ASP H H 1 8.482 0.001 A 41 ASP HA H 1 4.623 0.000 A 41 ASP HBx H 1 2.615 0.003 A 41 ASP HBy H 1 2.717 0.004 A 42 GLU H H 1 8.210 0.002 A 42 GLU HA H 1 4.335 0.002 A 42 GLU HBy H 1 2.083 0.003 A 42 GLU HBx H 1 1.932 0.004 A 42 GLU HGx H 1 2.290 0.004 A 42 GLU HGy H 1 2.292 0.000 A 43 ALA H H 1 8.241 0.000 A 43 ALA HA H 1 4.578 0.001 A 43 ALA HB% H 1 1.359 0.002 A 44 PRO HA H 1 4.500 0.001 A 44 PRO HBx H 1 2.013 0.000 A 44 PRO HBy H 1 2.287 0.001 A 44 PRO HGy H 1 2.009 0.004 A 44 PRO HGx H 1 1.963 0.003 A 44 PRO HDx H 1 3.636 0.001 A 44 PRO HDy H 1 3.733 0.001 A 46 GLU H H 1 8.290 0.001 A 46 GLU HA H 1 4.336 0.003 A 46 GLU HBy H 1 2.099 0.005 A 46 GLU HBx H 1 1.973 0.003 A 46 GLU HG2 H 1 2.307 0.003 A 46 GLU HG3 H 1 2.307 0.003 B 151 SER C C 13 174.342 0.000 B 151 SER CA C 13 58.334 0.005 B 151 SER CB C 13 64.091 0.000 B 152 HIS H H 1 8.656 0.002 B 152 HIS HA H 1 4.734 0.005 B 152 HIS HBx H 1 3.175 0.005 B 152 HIS HBy H 1 3.289 0.004 B 152 HIS CA C 13 55.615 0.028 B 152 HIS CB C 13 29.263 0.063 B 152 HIS N N 15 120.667 0.022 B 153 MET H H 1 8.392 0.014 B 153 MET HA H 1 4.443 0.002 B 153 MET HBy H 1 2.037 0.001 B 153 MET HBx H 1 1.973 0.001 B 153 MET HGy H 1 2.539 0.002 B 153 MET HGx H 1 2.490 0.002 B 153 MET C C 13 175.671 0.000 B 153 MET CA C 13 55.727 0.025 B 153 MET CB C 13 33.013 0.044 B 153 MET CG C 13 31.972 0.026 B 153 MET N N 15 121.587 0.094 B 154 ASN H H 1 8.439 0.005 B 154 ASN HA H 1 4.682 0.004 B 154 ASN HBy H 1 2.839 0.004 B 154 ASN HBx H 1 2.774 0.003 B 154 ASN HD2x H 1 6.898 0.000 B 154 ASN HD2y H 1 7.574 0.000 B 154 ASN C C 13 174.822 0.000 B 154 ASN CA C 13 53.309 0.018 B 154 ASN CB C 13 38.971 0.041 B 154 ASN N N 15 120.410 0.017 B 154 ASN ND2 N 15 112.585 0.014 B 155 ALA H H 1 8.205 0.009 B 155 ALA HA H 1 4.250 0.002 B 155 ALA HB% H 1 1.375 0.002 B 155 ALA C C 13 177.614 0.000 B 155 ALA CA C 13 52.897 0.018 B 155 ALA CB C 13 19.368 0.050 B 155 ALA N N 15 124.349 0.121 B 156 LYS H H 1 8.179 0.004 B 156 LYS HA H 1 4.245 0.003 B 156 LYS HBx H 1 1.757 0.005 B 156 LYS HBy H 1 1.784 0.005 B 156 LYS HGx H 1 1.396 0.014 B 156 LYS HGy H 1 1.453 0.008 B 156 LYS HE2 H 1 2.997 0.002 B 156 LYS HE3 H 1 2.997 0.002 B 156 LYS C C 13 176.563 0.000 B 156 LYS CA C 13 56.754 0.023 B 156 LYS CB C 13 32.943 0.054 B 156 LYS CG C 13 24.910 0.061 B 156 LYS CD C 13 29.204 0.035 B 156 LYS CE C 13 42.288 0.027 B 156 LYS N N 15 120.021 0.014 B 157 ILE H H 1 7.957 0.009 B 157 ILE HA H 1 4.095 0.002 B 157 ILE HB H 1 1.808 0.004 B 157 ILE HG1x H 1 1.116 0.006 B 157 ILE HG1y H 1 1.408 0.004 B 157 ILE HG2% H 1 0.801 0.002 B 157 ILE HD1% H 1 0.769 0.003 B 157 ILE C C 13 175.970 0.000 B 157 ILE CA C 13 61.200 0.017 B 157 ILE CB C 13 38.463 0.031 B 157 ILE CG1 C 13 27.326 0.025 B 157 ILE CG2 C 13 17.545 0.031 B 157 ILE CD1 C 13 12.786 0.032 B 157 ILE N N 15 121.197 0.076 B 158 LEU H H 1 8.058 0.002 B 158 LEU HA H 1 4.343 0.002 B 158 LEU HBx H 1 1.523 0.009 B 158 LEU HBy H 1 1.614 0.003 B 158 LEU HG H 1 1.549 0.011 B 158 LEU HDx% H 1 0.785 0.001 B 158 LEU HDy% H 1 0.850 0.005 B 158 LEU C C 13 177.089 0.000 B 158 LEU CA C 13 55.081 0.050 B 158 LEU CB C 13 42.434 0.042 B 158 LEU CG C 13 27.033 0.033 B 158 LEU CDx C 13 23.505 0.037 B 158 LEU CDy C 13 25.002 0.033 B 158 LEU N N 15 125.480 0.093 B 159 LYS H H 1 8.096 0.016 B 159 LYS HA H 1 4.146 0.002 B 159 LYS HBy H 1 1.727 0.006 B 159 LYS HBx H 1 1.566 0.006 B 159 LYS HGy H 1 1.202 0.001 B 159 LYS HGx H 1 1.154 0.000 B 159 LYS HE2 H 1 2.838 0.002 B 159 LYS HE3 H 1 2.838 0.002 B 159 LYS C C 13 175.892 0.000 B 159 LYS CA C 13 56.634 0.031 B 159 LYS CB C 13 32.957 0.056 B 159 LYS CG C 13 24.838 0.021 B 159 LYS CD C 13 29.190 0.030 B 159 LYS CE C 13 42.092 0.035 B 159 LYS N N 15 121.429 0.109 B 160 ASP H H 1 8.133 0.001 B 160 ASP HA H 1 4.577 0.004 B 160 ASP HBy H 1 2.770 0.003 B 160 ASP HBx H 1 2.579 0.004 B 160 ASP C C 13 176.517 0.000 B 160 ASP CA C 13 54.246 0.036 B 160 ASP CB C 13 41.969 0.034 B 160 ASP N N 15 121.934 0.024 B 161 ARG H H 1 8.230 0.003 B 161 ARG HA H 1 4.328 0.003 B 161 ARG HBy H 1 1.849 0.002 B 161 ARG HBx H 1 1.761 0.004 B 161 ARG HGy H 1 1.658 0.003 B 161 ARG HGx H 1 1.650 0.004 B 161 ARG HD2 H 1 3.216 0.003 B 161 ARG HD3 H 1 3.216 0.003 B 161 ARG C C 13 175.942 0.000 B 161 ARG CA C 13 56.657 0.015 B 161 ARG CB C 13 30.380 0.049 B 161 ARG CG C 13 27.112 0.022 B 161 ARG CD C 13 43.368 0.230 B 161 ARG N N 15 122.461 0.019 B 162 ARG H H 1 8.365 0.007 B 162 ARG HA H 1 4.189 0.002 B 162 ARG HBx H 1 1.499 0.015 B 162 ARG HBy H 1 1.588 0.003 B 162 ARG HGy H 1 1.459 0.006 B 162 ARG HGx H 1 1.457 0.002 B 162 ARG HDy H 1 3.165 0.013 B 162 ARG HDx H 1 3.095 0.003 B 162 ARG HE H 1 7.331 0.001 B 162 ARG C C 13 176.244 0.000 B 162 ARG CA C 13 56.777 0.028 B 162 ARG CB C 13 30.795 0.053 B 162 ARG CG C 13 26.822 0.029 B 162 ARG CD C 13 43.533 0.054 B 162 ARG CZ C 13 159.765 0.000 B 162 ARG N N 15 120.240 0.083 B 162 ARG NE N 15 84.883 0.003 B 163 TYR H H 1 7.819 0.002 B 163 TYR HA H 1 5.342 0.003 B 163 TYR HBy H 1 2.748 0.002 B 163 TYR HBx H 1 2.705 0.005 B 163 TYR HDx H 1 6.999 0.003 B 163 TYR HDy H 1 6.999 0.003 B 163 TYR HEx H 1 6.785 0.001 B 163 TYR HEy H 1 6.785 0.001 B 163 TYR C C 13 174.042 0.000 B 163 TYR CA C 13 55.847 0.021 B 163 TYR CB C 13 40.492 0.062 B 163 TYR CD1 C 13 132.502 0.027 B 163 TYR CD2 C 13 132.502 0.027 B 163 TYR CE1 C 13 118.656 0.024 B 163 TYR CE2 C 13 118.656 0.024 B 163 TYR N N 15 118.998 0.031 B 164 TYR H H 1 9.277 0.004 B 164 TYR HA H 1 4.816 0.003 B 164 TYR HBy H 1 3.433 0.004 B 164 TYR HBx H 1 2.927 0.002 B 164 TYR HDx H 1 7.243 0.002 B 164 TYR HDy H 1 7.243 0.002 B 164 TYR HEx H 1 6.736 0.001 B 164 TYR HEy H 1 6.736 0.001 B 164 TYR C C 13 176.074 0.000 B 164 TYR CA C 13 58.436 0.050 B 164 TYR CB C 13 40.889 0.034 B 164 TYR CD1 C 13 133.298 0.044 B 164 TYR CD2 C 13 133.298 0.044 B 164 TYR CE1 C 13 118.834 0.000 B 164 TYR CE2 C 13 118.834 0.000 B 164 TYR N N 15 123.279 0.012 B 165 TYR H H 1 8.608 0.010 B 165 TYR HA H 1 5.192 0.002 B 165 TYR HBx H 1 2.837 0.003 B 165 TYR HBy H 1 3.615 0.002 B 165 TYR HDx H 1 7.172 0.002 B 165 TYR HDy H 1 7.172 0.002 B 165 TYR HEx H 1 6.608 0.002 B 165 TYR HEy H 1 6.608 0.002 B 165 TYR C C 13 175.990 0.000 B 165 TYR CA C 13 57.854 0.029 B 165 TYR CB C 13 40.656 0.062 B 165 TYR CD1 C 13 133.690 0.092 B 165 TYR CD2 C 13 133.690 0.092 B 165 TYR CE1 C 13 118.235 0.030 B 165 TYR CE2 C 13 118.235 0.030 B 165 TYR N N 15 122.101 0.121 B 166 ASP H H 1 5.850 0.002 B 166 ASP HA H 1 4.759 0.012 B 166 ASP HBx H 1 1.926 0.005 B 166 ASP HBy H 1 3.044 0.002 B 166 ASP C C 13 172.080 0.000 B 166 ASP CA C 13 54.065 0.007 B 166 ASP CB C 13 39.044 0.037 B 166 ASP N N 15 121.826 0.017 B 167 TYR H H 1 8.030 0.002 B 167 TYR HA H 1 5.602 0.004 B 167 TYR HBy H 1 2.706 0.004 B 167 TYR HBx H 1 2.623 0.003 B 167 TYR HDx H 1 6.691 0.002 B 167 TYR HDy H 1 6.691 0.002 B 167 TYR C C 13 175.952 0.000 B 167 TYR CA C 13 56.831 0.014 B 167 TYR CB C 13 44.434 0.046 B 167 TYR CD1 C 13 132.454 0.000 B 167 TYR CD2 C 13 132.454 0.000 B 167 TYR N N 15 122.567 0.031 B 168 ASP H H 1 8.929 0.003 B 168 ASP HA H 1 6.138 0.002 B 168 ASP HBy H 1 3.094 0.004 B 168 ASP HBx H 1 2.540 0.003 B 168 ASP C C 13 175.024 0.000 B 168 ASP CA C 13 52.852 0.042 B 168 ASP CB C 13 46.378 0.034 B 168 ASP N N 15 121.901 0.018 B 169 TYR H H 1 10.345 0.002 B 169 TYR HA H 1 6.550 0.002 B 169 TYR HBx H 1 2.746 0.002 B 169 TYR HBy H 1 3.009 0.004 B 169 TYR HDx H 1 6.824 0.012 B 169 TYR HDy H 1 6.824 0.012 B 169 TYR C C 13 172.807 0.000 B 169 TYR CA C 13 55.276 0.035 B 169 TYR CB C 13 42.728 0.057 B 169 TYR CD1 C 13 132.496 0.035 B 169 TYR CD2 C 13 132.496 0.035 B 169 TYR N N 15 117.698 0.016 B 170 ALA H H 1 8.575 0.002 B 170 ALA HA H 1 4.331 0.002 B 170 ALA HB% H 1 -0.337 0.002 B 170 ALA C C 13 175.907 0.000 B 170 ALA CA C 13 51.201 0.037 B 170 ALA CB C 13 19.567 0.025 B 170 ALA N N 15 123.260 0.024 B 171 THR H H 1 8.443 0.003 B 171 THR HA H 1 4.926 0.002 B 171 THR HB H 1 4.723 0.011 B 171 THR HG2% H 1 1.277 0.004 B 171 THR C C 13 172.088 0.000 B 171 THR CA C 13 61.878 0.036 B 171 THR CB C 13 69.407 0.018 B 171 THR CG2 C 13 18.653 0.038 B 171 THR N N 15 115.932 0.024 B 172 ARG H H 1 9.030 0.002 B 172 ARG HA H 1 4.591 0.004 B 172 ARG HBx H 1 1.710 0.004 B 172 ARG HBy H 1 2.052 0.006 B 172 ARG HGx H 1 1.565 0.006 B 172 ARG HGy H 1 1.568 0.006 B 172 ARG HDy H 1 3.179 0.003 B 172 ARG HDx H 1 3.178 0.003 B 172 ARG C C 13 177.120 0.000 B 172 ARG CA C 13 55.779 0.033 B 172 ARG CB C 13 31.132 0.049 B 172 ARG CG C 13 27.704 0.062 B 172 ARG CD C 13 43.544 0.026 B 172 ARG N N 15 123.374 0.034 B 173 THR H H 1 8.547 0.004 B 173 THR HA H 1 4.336 0.003 B 173 THR HB H 1 4.256 0.003 B 173 THR HG2% H 1 1.036 0.002 B 173 THR C C 13 173.523 0.000 B 173 THR CA C 13 62.851 0.041 B 173 THR CB C 13 69.347 0.023 B 173 THR CG2 C 13 20.614 0.042 B 173 THR N N 15 117.262 0.020 B 174 LYS H H 1 8.523 0.002 B 174 LYS HA H 1 4.584 0.001 B 174 LYS HBx H 1 1.588 0.003 B 174 LYS HBy H 1 2.052 0.007 B 174 LYS HGx H 1 1.492 0.013 B 174 LYS HGy H 1 1.571 0.007 B 174 LYS HDx H 1 1.736 0.002 B 174 LYS HDy H 1 1.820 0.003 B 174 LYS HEx H 1 3.066 0.006 B 174 LYS HEy H 1 3.067 0.005 B 174 LYS C C 13 175.478 0.000 B 174 LYS CA C 13 56.354 0.008 B 174 LYS CB C 13 36.695 0.034 B 174 LYS CG C 13 25.349 0.078 B 174 LYS CD C 13 29.435 0.054 B 174 LYS CE C 13 42.460 0.055 B 174 LYS N N 15 124.324 0.036 B 175 LYS H H 1 8.174 0.006 B 175 LYS HA H 1 4.028 0.003 B 175 LYS HBy H 1 1.374 0.004 B 175 LYS HBx H 1 0.547 0.009 B 175 LYS HGx H 1 1.182 0.009 B 175 LYS HGy H 1 1.190 0.008 B 175 LYS HDy H 1 1.597 0.006 B 175 LYS HDx H 1 1.518 0.005 B 175 LYS HEy H 1 3.066 0.005 B 175 LYS HEx H 1 3.065 0.006 B 175 LYS C C 13 175.519 0.000 B 175 LYS CA C 13 54.544 0.041 B 175 LYS CB C 13 30.227 0.073 B 175 LYS CG C 13 24.562 0.028 B 175 LYS CD C 13 29.106 0.060 B 175 LYS CE C 13 42.641 0.045 B 175 LYS N N 15 121.615 0.105 B 176 SER H H 1 7.898 0.003 B 176 SER HA H 1 3.905 0.004 B 176 SER HBy H 1 3.968 0.006 B 176 SER HBx H 1 3.817 0.007 B 176 SER C C 13 175.331 0.000 B 176 SER CA C 13 60.733 0.039 B 176 SER CB C 13 63.076 0.058 B 176 SER N N 15 118.508 0.035 B 177 TRP H H 1 7.233 0.008 B 177 TRP HA H 1 4.623 0.004 B 177 TRP HBx H 1 3.217 0.002 B 177 TRP HBy H 1 3.408 0.004 B 177 TRP HD1 H 1 7.131 0.002 B 177 TRP HE1 H 1 10.232 0.002 B 177 TRP HE3 H 1 7.271 0.003 B 177 TRP HZ2 H 1 7.403 0.001 B 177 TRP HZ3 H 1 6.713 0.004 B 177 TRP HH2 H 1 7.013 0.002 B 177 TRP C C 13 176.110 0.000 B 177 TRP CA C 13 56.546 0.056 B 177 TRP CB C 13 28.099 0.042 B 177 TRP CD1 C 13 127.455 0.074 B 177 TRP CE3 C 13 120.595 0.078 B 177 TRP CZ2 C 13 114.422 0.013 B 177 TRP CZ3 C 13 122.336 0.010 B 177 TRP CH2 C 13 124.550 0.024 B 177 TRP N N 15 119.224 0.061 B 177 TRP NE1 N 15 130.116 0.005 B 178 LEU H H 1 7.301 0.005 B 178 LEU HA H 1 4.165 0.002 B 178 LEU HBx H 1 1.073 0.004 B 178 LEU HBy H 1 1.404 0.002 B 178 LEU HG H 1 1.267 0.004 B 178 LEU HDx% H 1 0.769 0.004 B 178 LEU HDy% H 1 0.652 0.005 B 178 LEU C C 13 174.533 0.000 B 178 LEU CA C 13 54.372 0.019 B 178 LEU CB C 13 42.856 0.035 B 178 LEU CG C 13 26.841 0.101 B 178 LEU CDy C 13 25.699 0.069 B 178 LEU CDx C 13 25.034 0.052 B 178 LEU N N 15 121.024 0.027 B 179 ILE H H 1 6.937 0.002 B 179 ILE HA H 1 3.750 0.002 B 179 ILE HB H 1 1.703 0.004 B 179 ILE HG1x H 1 0.628 0.003 B 179 ILE HG1y H 1 1.437 0.003 B 179 ILE HG2% H 1 0.175 0.002 B 179 ILE HD1% H 1 0.814 0.005 B 179 ILE CA C 13 59.217 0.025 B 179 ILE CB C 13 38.273 0.019 B 179 ILE CG1 C 13 28.706 0.055 B 179 ILE CG2 C 13 15.406 0.020 B 179 ILE CD1 C 13 13.734 0.028 B 179 ILE N N 15 117.048 0.015 B 180 PRO HA H 1 4.509 0.002 B 180 PRO HBx H 1 1.607 0.006 B 180 PRO HBy H 1 2.272 0.003 B 180 PRO HGy H 1 1.746 0.005 B 180 PRO HGx H 1 1.743 0.004 B 180 PRO HDy H 1 4.238 0.004 B 180 PRO HDx H 1 3.106 0.003 B 180 PRO C C 13 174.862 0.000 B 180 PRO CA C 13 62.965 0.066 B 180 PRO CB C 13 33.379 0.058 B 180 PRO CG C 13 27.908 0.040 B 180 PRO CD C 13 50.311 0.053 B 181 SER H H 1 8.458 0.002 B 181 SER HA H 1 4.448 0.002 B 181 SER HBy H 1 3.924 0.003 B 181 SER HBx H 1 3.917 0.003 B 181 SER C C 13 174.861 0.000 B 181 SER CA C 13 59.049 0.055 B 181 SER CB C 13 63.874 0.025 B 181 SER N N 15 114.946 0.013 B 182 ARG H H 1 7.282 0.003 B 182 ARG HA H 1 4.981 0.002 B 182 ARG HBx H 1 1.903 0.009 B 182 ARG HBy H 1 2.096 0.005 B 182 ARG HGx H 1 1.764 0.004 B 182 ARG HGy H 1 1.947 0.011 B 182 ARG HDy H 1 3.323 0.005 B 182 ARG HDx H 1 3.244 0.003 B 182 ARG HE H 1 7.255 0.001 B 182 ARG C C 13 174.670 0.000 B 182 ARG CA C 13 56.040 0.031 B 182 ARG CB C 13 33.947 0.048 B 182 ARG CG C 13 27.144 0.075 B 182 ARG CD C 13 43.727 0.028 B 182 ARG CZ C 13 159.650 0.000 B 182 ARG N N 15 118.774 0.031 B 182 ARG NE N 15 84.054 0.005 B 183 VAL H H 1 8.499 0.003 B 183 VAL HA H 1 5.111 0.002 B 183 VAL HB H 1 1.459 0.001 B 183 VAL HGx% H 1 0.901 0.001 B 183 VAL HGy% H 1 -0.042 0.002 B 183 VAL C C 13 173.095 0.000 B 183 VAL CA C 13 61.254 0.038 B 183 VAL CB C 13 36.105 0.033 B 183 VAL CGy C 13 23.950 0.023 B 183 VAL CGx C 13 20.189 0.031 B 183 VAL N N 15 124.994 0.022 B 184 TYR H H 1 8.263 0.006 B 184 TYR HA H 1 5.444 0.002 B 184 TYR HBx H 1 2.336 0.003 B 184 TYR HBy H 1 2.996 0.002 B 184 TYR HDx H 1 6.415 0.002 B 184 TYR HDy H 1 6.415 0.002 B 184 TYR HEx H 1 5.960 0.002 B 184 TYR HEy H 1 5.960 0.002 B 184 TYR C C 13 172.618 0.000 B 184 TYR CA C 13 56.046 0.021 B 184 TYR CB C 13 40.446 0.035 B 184 TYR CD1 C 13 132.819 0.016 B 184 TYR CD2 C 13 132.819 0.016 B 184 TYR CE1 C 13 117.812 0.036 B 184 TYR CE2 C 13 117.812 0.036 B 184 TYR N N 15 120.708 0.028 B 185 ASP H H 1 9.264 0.004 B 185 ASP HA H 1 5.916 0.003 B 185 ASP HBy H 1 3.259 0.004 B 185 ASP HBx H 1 2.822 0.002 B 185 ASP C C 13 174.730 0.000 B 185 ASP CA C 13 53.569 0.016 B 185 ASP CB C 13 47.370 0.031 B 185 ASP N N 15 116.333 0.014 B 186 ASP H H 1 8.742 0.002 B 186 ASP HA H 1 5.376 0.001 B 186 ASP HBx H 1 2.633 0.006 B 186 ASP HBy H 1 3.433 0.002 B 186 ASP C C 13 178.187 0.000 B 186 ASP CA C 13 52.265 0.017 B 186 ASP CB C 13 43.220 0.022 B 186 ASP N N 15 119.934 0.029 B 187 GLY H H 1 9.602 0.004 B 187 GLY HAx H 1 3.461 0.005 B 187 GLY HAy H 1 4.375 0.004 B 187 GLY C C 13 173.308 0.000 B 187 GLY CA C 13 45.500 0.032 B 187 GLY N N 15 110.825 0.017 B 188 LYS H H 1 8.399 0.002 B 188 LYS HA H 1 4.277 0.002 B 188 LYS HBy H 1 1.583 0.003 B 188 LYS HBx H 1 1.441 0.004 B 188 LYS HGy H 1 1.173 0.005 B 188 LYS HGx H 1 0.941 0.004 B 188 LYS HD2 H 1 1.495 0.002 B 188 LYS HD3 H 1 1.495 0.002 B 188 LYS HEy H 1 2.804 0.007 B 188 LYS HEx H 1 2.799 0.004 B 188 LYS C C 13 174.702 0.000 B 188 LYS CA C 13 57.699 0.058 B 188 LYS CB C 13 35.006 0.031 B 188 LYS CG C 13 24.767 0.044 B 188 LYS CD C 13 28.894 0.042 B 188 LYS CE C 13 42.120 0.040 B 188 LYS N N 15 121.896 0.018 B 189 PHE H H 1 9.557 0.002 B 189 PHE HA H 1 5.113 0.002 B 189 PHE HBx H 1 2.446 0.003 B 189 PHE HBy H 1 2.672 0.003 B 189 PHE HDx H 1 7.174 0.001 B 189 PHE HDy H 1 7.174 0.001 B 189 PHE C C 13 174.563 0.000 B 189 PHE CA C 13 54.208 0.025 B 189 PHE CB C 13 41.036 0.034 B 189 PHE N N 15 119.809 0.021 B 190 THR H H 1 8.635 0.005 B 190 THR HA H 1 4.465 0.003 B 190 THR HB H 1 3.815 0.005 B 190 THR HG2% H 1 0.951 0.003 B 190 THR C C 13 171.381 0.000 B 190 THR CA C 13 62.361 0.071 B 190 THR CB C 13 69.993 0.043 B 190 THR CG2 C 13 20.172 0.086 B 190 THR N N 15 114.435 0.010 B 191 TYR H H 1 9.192 0.003 B 191 TYR HA H 1 4.586 0.003 B 191 TYR HBx H 1 1.464 0.002 B 191 TYR HBy H 1 2.113 0.002 B 191 TYR HDx H 1 6.576 0.003 B 191 TYR HDy H 1 6.576 0.003 B 191 TYR HEx H 1 6.531 0.002 B 191 TYR HEy H 1 6.531 0.002 B 191 TYR C C 13 174.236 0.000 B 191 TYR CA C 13 56.810 0.026 B 191 TYR CB C 13 38.662 0.038 B 191 TYR CD1 C 13 134.268 0.059 B 191 TYR CD2 C 13 134.268 0.059 B 191 TYR CE1 C 13 116.682 0.033 B 191 TYR CE2 C 13 116.682 0.033 B 191 TYR N N 15 126.395 0.019 B 192 ILE H H 1 8.967 0.002 B 192 ILE HA H 1 4.499 0.003 B 192 ILE HB H 1 1.993 0.002 B 192 ILE HG1x H 1 0.701 0.002 B 192 ILE HG1y H 1 1.458 0.004 B 192 ILE HG2% H 1 0.771 0.002 B 192 ILE HD1% H 1 0.632 0.003 B 192 ILE C C 13 174.734 0.000 B 192 ILE CA C 13 60.337 0.022 B 192 ILE CB C 13 40.211 0.025 B 192 ILE CG1 C 13 27.026 0.043 B 192 ILE CG2 C 13 18.105 0.035 B 192 ILE CD1 C 13 14.124 0.035 B 192 ILE N N 15 122.349 0.018 B 193 ASN H H 1 8.965 0.002 B 193 ASN HA H 1 5.505 0.002 B 193 ASN HBx H 1 2.850 0.004 B 193 ASN HBy H 1 2.897 0.005 B 193 ASN HD2x H 1 6.882 0.000 B 193 ASN HD2y H 1 7.101 0.000 B 193 ASN C C 13 173.998 0.000 B 193 ASN CA C 13 53.275 0.020 B 193 ASN CB C 13 40.446 0.045 B 193 ASN CG C 13 176.337 0.010 B 193 ASN N N 15 126.647 0.012 B 193 ASN ND2 N 15 109.923 0.000 B 194 MET H H 1 8.516 0.002 B 194 MET HA H 1 4.878 0.002 B 194 MET HBx H 1 1.888 0.004 B 194 MET HBy H 1 2.120 0.002 B 194 MET HG2 H 1 2.283 0.002 B 194 MET HG3 H 1 2.283 0.002 B 194 MET C C 13 173.741 0.000 B 194 MET CA C 13 54.422 0.013 B 194 MET CB C 13 36.859 0.036 B 194 MET CG C 13 31.635 0.028 B 194 MET N N 15 122.186 0.011 B 195 ASP H H 1 8.369 0.002 B 195 ASP HA H 1 4.756 0.011 B 195 ASP HBy H 1 2.994 0.005 B 195 ASP HBx H 1 2.624 0.011 B 195 ASP C C 13 177.061 0.000 B 195 ASP CA C 13 53.352 0.034 B 195 ASP CB C 13 39.606 0.051 B 195 ASP N N 15 118.293 0.054 B 196 LEU H H 1 8.213 0.011 B 196 LEU HA H 1 4.452 0.003 B 196 LEU HBy H 1 1.956 0.004 B 196 LEU HBx H 1 1.708 0.003 B 196 LEU HG H 1 1.713 0.002 B 196 LEU HDx% H 1 0.618 0.004 B 196 LEU HDy% H 1 0.788 0.003 B 196 LEU C C 13 178.855 0.000 B 196 LEU CA C 13 55.968 0.022 B 196 LEU CB C 13 40.284 0.035 B 196 LEU CG C 13 26.849 0.032 B 196 LEU CDx C 13 23.336 0.042 B 196 LEU CDy C 13 25.611 0.066 B 196 LEU N N 15 124.620 0.112 B 197 THR H H 1 8.264 0.002 B 197 THR HA H 1 4.232 0.010 B 197 THR HB H 1 4.249 0.012 B 197 THR HG2% H 1 1.369 0.003 B 197 THR C C 13 175.789 0.000 B 197 THR CA C 13 64.324 0.020 B 197 THR CB C 13 69.096 0.059 B 197 THR CG2 C 13 21.752 0.022 B 197 THR N N 15 111.428 0.115 B 198 ARG H H 1 6.913 0.002 B 198 ARG HA H 1 3.874 0.003 B 198 ARG HBx H 1 0.979 0.002 B 198 ARG HBy H 1 0.981 0.004 B 198 ARG HGx H 1 0.970 0.004 B 198 ARG HGy H 1 1.071 0.004 B 198 ARG HDy H 1 2.440 0.003 B 198 ARG HDx H 1 2.253 0.003 B 198 ARG HE H 1 6.541 0.007 B 198 ARG C C 13 174.823 0.000 B 198 ARG CA C 13 55.103 0.027 B 198 ARG CB C 13 29.516 0.032 B 198 ARG CG C 13 26.279 0.032 B 198 ARG CD C 13 42.316 0.034 B 198 ARG N N 15 117.071 0.011 B 198 ARG NE N 15 84.199 0.014 B 199 PHE H H 1 7.187 0.003 B 199 PHE HA H 1 4.639 0.002 B 199 PHE HBx H 1 2.822 0.003 B 199 PHE HBy H 1 2.964 0.004 B 199 PHE HDx H 1 7.070 0.002 B 199 PHE HDy H 1 7.070 0.002 B 199 PHE HEx H 1 6.885 0.010 B 199 PHE HEy H 1 6.885 0.010 B 199 PHE HZ H 1 6.955 0.002 B 199 PHE CA C 13 55.271 0.000 B 199 PHE CB C 13 38.965 0.008 B 199 PHE CD1 C 13 132.351 0.097 B 199 PHE CD2 C 13 132.351 0.097 B 199 PHE CE1 C 13 130.757 0.067 B 199 PHE CE2 C 13 130.757 0.067 B 199 PHE CZ C 13 129.028 0.036 B 199 PHE N N 15 118.573 0.028 B 200 PRO HA H 1 4.503 0.004 B 200 PRO HBy H 1 2.348 0.002 B 200 PRO HBx H 1 1.942 0.004 B 200 PRO HG2 H 1 2.040 0.005 B 200 PRO HG3 H 1 2.040 0.002 B 200 PRO HDy H 1 3.613 0.009 B 200 PRO HDx H 1 3.594 0.008 B 200 PRO C C 13 177.145 0.000 B 200 PRO CA C 13 63.112 0.062 B 200 PRO CB C 13 31.940 0.068 B 200 PRO CG C 13 27.505 0.046 B 200 PRO CD C 13 50.525 0.041 B 201 THR H H 1 8.125 0.002 B 201 THR HA H 1 4.064 0.005 B 201 THR HB H 1 4.182 0.001 B 201 THR HG2% H 1 1.243 0.001 B 201 THR C C 13 175.612 0.000 B 201 THR CA C 13 63.453 0.024 B 201 THR CB C 13 69.134 0.060 B 201 THR CG2 C 13 21.697 0.024 B 201 THR N N 15 113.979 0.014 B 202 GLY H H 1 8.273 0.002 B 202 GLY HAx H 1 3.540 0.004 B 202 GLY HAy H 1 4.073 0.006 B 202 GLY C C 13 173.707 0.000 B 202 GLY CA C 13 45.410 0.018 B 202 GLY N N 15 111.769 0.025 B 203 ASN H H 1 8.174 0.003 B 203 ASN HA H 1 4.949 0.002 B 203 ASN HBy H 1 2.820 0.003 B 203 ASN HBx H 1 2.670 0.002 B 203 ASN HD2x H 1 6.965 0.001 B 203 ASN HD2y H 1 7.362 0.005 B 203 ASN C C 13 173.576 0.000 B 203 ASN CA C 13 52.108 0.041 B 203 ASN CB C 13 38.862 0.031 B 203 ASN CG C 13 177.809 0.007 B 203 ASN N N 15 119.836 0.012 B 203 ASN ND2 N 15 110.892 0.024 B 204 PHE H H 1 7.846 0.002 B 204 PHE HA H 1 4.326 0.003 B 204 PHE HBx H 1 2.870 0.004 B 204 PHE HBy H 1 2.974 0.005 B 204 PHE HDx H 1 7.221 0.005 B 204 PHE HDy H 1 7.221 0.005 B 204 PHE HEx H 1 7.482 0.007 B 204 PHE HEy H 1 7.482 0.007 B 204 PHE CA C 13 55.720 0.036 B 204 PHE CB C 13 37.860 0.022 B 204 PHE CD1 C 13 130.515 0.003 B 204 PHE CD2 C 13 130.515 0.003 B 204 PHE CE1 C 13 131.335 0.000 B 204 PHE CE2 C 13 131.335 0.000 B 204 PHE N N 15 119.146 0.016 B 205 PRO HA H 1 4.623 0.003 B 205 PRO HBx H 1 1.546 0.004 B 205 PRO HBy H 1 1.926 0.002 B 205 PRO HGy H 1 1.618 0.003 B 205 PRO HGx H 1 1.254 0.004 B 205 PRO HDy H 1 2.919 0.005 B 205 PRO HDx H 1 2.427 0.005 B 205 PRO CA C 13 63.405 0.038 B 205 PRO CB C 13 32.318 0.052 B 205 PRO CG C 13 27.710 0.045 B 205 PRO CD C 13 49.789 0.051 B 206 ALA H H 1 8.536 0.004 B 206 ALA HA H 1 4.533 0.003 B 206 ALA HB% H 1 1.427 0.001 B 206 ALA C C 13 175.801 0.000 B 206 ALA CA C 13 50.825 0.019 B 206 ALA CB C 13 22.134 0.038 B 206 ALA N N 15 124.102 0.022 B 207 VAL H H 1 7.791 0.002 B 207 VAL HA H 1 5.102 0.003 B 207 VAL HB H 1 1.677 0.002 B 207 VAL HGy% H 1 0.738 0.002 B 207 VAL C C 13 173.651 0.000 B 207 VAL CA C 13 60.944 0.052 B 207 VAL CB C 13 33.322 0.023 B 207 VAL CG1 C 13 22.406 0.038 B 207 VAL CG2 C 13 22.406 0.038 B 207 VAL N N 15 119.525 0.016 B 208 PHE H H 1 9.091 0.002 B 208 PHE HA H 1 4.860 0.003 B 208 PHE HBx H 1 2.609 0.003 B 208 PHE HBy H 1 2.983 0.005 B 208 PHE HDx H 1 6.962 0.003 B 208 PHE HDy H 1 6.962 0.003 B 208 PHE HEx H 1 7.276 0.002 B 208 PHE HEy H 1 7.276 0.002 B 208 PHE C C 13 173.235 0.000 B 208 PHE CA C 13 55.266 0.051 B 208 PHE CB C 13 42.769 0.074 B 208 PHE CD1 C 13 131.630 0.039 B 208 PHE CD2 C 13 131.630 0.039 B 208 PHE N N 15 124.014 0.032 B 209 ALA H H 1 8.713 0.002 B 209 ALA HA H 1 5.053 0.003 B 209 ALA HB% H 1 0.271 0.002 B 209 ALA C C 13 175.071 0.000 B 209 ALA CA C 13 50.329 0.015 B 209 ALA CB C 13 24.302 0.027 B 209 ALA N N 15 121.817 0.026 B 210 ARG H H 1 7.704 0.002 B 210 ARG HA H 1 4.914 0.003 B 210 ARG HBy H 1 2.249 0.002 B 210 ARG HBx H 1 1.418 0.005 B 210 ARG HGx H 1 1.426 0.005 B 210 ARG HGy H 1 1.664 0.011 B 210 ARG HDy H 1 3.001 0.006 B 210 ARG HDx H 1 2.596 0.005 B 210 ARG HE H 1 7.781 0.002 B 210 ARG C C 13 176.598 0.000 B 210 ARG CA C 13 55.381 0.044 B 210 ARG CB C 13 37.140 0.052 B 210 ARG CG C 13 27.299 0.050 B 210 ARG CD C 13 44.372 0.066 B 210 ARG CZ C 13 159.560 0.000 B 210 ARG N N 15 111.357 0.012 B 210 ARG NE N 15 87.290 0.015 B 211 GLU H H 1 9.462 0.002 B 211 GLU HA H 1 4.598 0.004 B 211 GLU HBx H 1 2.130 0.005 B 211 GLU HBy H 1 2.331 0.006 B 211 GLU HGy H 1 2.599 0.004 B 211 GLU HGx H 1 2.540 0.004 B 211 GLU C C 13 176.271 0.000 B 211 GLU CA C 13 57.675 0.031 B 211 GLU CB C 13 31.123 0.044 B 211 GLU CG C 13 36.141 0.041 B 211 GLU N N 15 117.505 0.045 B 212 LYS H H 1 7.319 0.003 B 212 LYS HA H 1 4.592 0.000 B 212 LYS HGy H 1 1.578 0.011 B 212 LYS HGx H 1 1.472 0.005 B 212 LYS HE2 H 1 3.075 0.008 B 212 LYS HE3 H 1 3.075 0.008 B 212 LYS C C 13 176.983 0.000 B 212 LYS CA C 13 54.387 0.056 B 212 LYS CB C 13 32.469 0.047 B 212 LYS CG C 13 25.217 0.080 B 212 LYS CD C 13 29.206 0.000 B 212 LYS CE C 13 42.305 0.000 B 212 LYS N N 15 113.698 0.030 B 213 GLU H H 1 8.176 0.002 B 213 GLU HA H 1 2.044 0.006 B 213 GLU HBy H 1 1.749 0.002 B 213 GLU HBx H 1 1.536 0.002 B 213 GLU HGy H 1 1.626 0.003 B 213 GLU HGx H 1 1.615 0.003 B 213 GLU C C 13 175.561 0.000 B 213 GLU CA C 13 60.372 0.013 B 213 GLU CB C 13 30.735 0.050 B 213 GLU CG C 13 36.586 0.033 B 213 GLU N N 15 121.442 0.109 B 214 HIS H H 1 8.136 0.004 B 214 HIS HA H 1 4.676 0.005 B 214 HIS HBy H 1 3.375 0.003 B 214 HIS HBx H 1 2.853 0.006 B 214 HIS HD2 H 1 7.190 0.006 B 214 HIS HE1 H 1 7.961 0.004 B 214 HIS CA C 13 54.113 0.031 B 214 HIS CB C 13 28.052 0.067 B 214 HIS CD2 C 13 120.170 0.000 B 214 HIS CE1 C 13 136.432 0.020 B 214 HIS N N 15 110.694 0.010 B 215 ALA H H 1 6.944 0.001 B 215 ALA HA H 1 4.497 0.003 B 215 ALA HB% H 1 1.625 0.001 B 215 ALA C C 13 174.897 0.000 B 215 ALA CA C 13 51.314 0.018 B 215 ALA CB C 13 21.838 0.020 B 215 ALA N N 15 122.342 0.017 B 216 GLU H H 1 8.106 0.004 B 216 GLU HA H 1 4.132 0.002 B 216 GLU HBy H 1 2.034 0.002 B 216 GLU HBx H 1 2.027 0.004 B 216 GLU HGy H 1 2.397 0.000 B 216 GLU HGx H 1 2.392 0.004 B 216 GLU C C 13 175.970 0.000 B 216 GLU CA C 13 56.848 0.017 B 216 GLU CB C 13 30.390 0.048 B 216 GLU CG C 13 36.121 0.052 B 216 GLU N N 15 116.661 0.015 B 217 ASP H H 1 8.020 0.001 B 217 ASP HA H 1 4.816 0.003 B 217 ASP HBx H 1 2.265 0.006 B 217 ASP HBy H 1 2.267 0.005 B 217 ASP C C 13 177.754 0.000 B 217 ASP CA C 13 54.907 0.020 B 217 ASP CB C 13 42.249 0.059 B 217 ASP N N 15 122.379 0.036 B 218 PHE H H 1 9.369 0.005 B 218 PHE HA H 1 5.204 0.002 B 218 PHE HBy H 1 3.207 0.003 B 218 PHE HBx H 1 3.145 0.007 B 218 PHE HDx H 1 7.287 0.002 B 218 PHE HDy H 1 7.287 0.002 B 218 PHE C C 13 174.255 0.000 B 218 PHE CA C 13 56.025 0.023 B 218 PHE CB C 13 41.506 0.055 B 218 PHE CD1 C 13 133.595 0.083 B 218 PHE CD2 C 13 133.595 0.083 B 218 PHE N N 15 118.707 0.028 B 219 LEU H H 1 8.649 0.001 B 219 LEU HA H 1 4.146 0.002 B 219 LEU HB2 H 1 1.660 0.001 B 219 LEU HB3 H 1 1.660 0.001 B 219 LEU HG H 1 1.654 0.003 B 219 LEU HDx% H 1 0.794 0.000 B 219 LEU HDy% H 1 0.874 0.003 B 219 LEU C C 13 176.842 0.000 B 219 LEU CA C 13 56.700 0.020 B 219 LEU CB C 13 42.949 0.022 B 219 LEU CG C 13 27.007 0.062 B 219 LEU CDy C 13 25.035 0.000 B 219 LEU CDx C 13 24.815 0.012 B 219 LEU N N 15 124.262 0.010 B 220 VAL H H 1 7.412 0.002 B 220 VAL HA H 1 4.635 0.002 B 220 VAL HB H 1 1.993 0.003 B 220 VAL HGx% H 1 0.470 0.003 B 220 VAL HGy% H 1 0.404 0.003 B 220 VAL C C 13 174.874 0.000 B 220 VAL CA C 13 58.947 0.019 B 220 VAL CB C 13 34.473 0.025 B 220 VAL CGy C 13 23.702 0.024 B 220 VAL CGx C 13 18.713 0.010 B 220 VAL N N 15 115.137 0.013 B 221 ASN H H 1 8.762 0.005 B 221 ASN HA H 1 4.738 0.002 B 221 ASN HBy H 1 2.667 0.007 B 221 ASN HBx H 1 2.629 0.002 B 221 ASN HD2y H 1 7.347 0.001 B 221 ASN HD2x H 1 6.722 0.002 B 221 ASN C C 13 174.437 0.000 B 221 ASN CA C 13 53.767 0.064 B 221 ASN CB C 13 39.226 0.086 B 221 ASN CG C 13 176.171 0.010 B 221 ASN N N 15 121.468 0.013 B 221 ASN ND2 N 15 110.940 0.009 B 222 THR H H 1 8.214 0.004 B 222 THR HA H 1 5.404 0.005 B 222 THR HB H 1 3.820 0.003 B 222 THR HG2% H 1 0.986 0.002 B 222 THR C C 13 174.654 0.000 B 222 THR CA C 13 60.759 0.031 B 222 THR CB C 13 71.556 0.056 B 222 THR CG2 C 13 22.732 0.066 B 222 THR N N 15 119.913 0.075 B 223 THR H H 1 9.175 0.005 B 223 THR HA H 1 4.602 0.004 B 223 THR HB H 1 4.242 0.002 B 223 THR HG2% H 1 1.194 0.002 B 223 THR C C 13 172.257 0.000 B 223 THR CA C 13 60.494 0.026 B 223 THR CB C 13 71.615 0.033 B 223 THR CG2 C 13 22.486 0.063 B 223 THR N N 15 118.610 0.013 B 224 VAL H H 1 8.380 0.001 B 224 VAL HA H 1 4.691 0.004 B 224 VAL HB H 1 1.746 0.002 B 224 VAL HGx% H 1 0.641 0.002 B 224 VAL HGy% H 1 0.638 0.003 B 224 VAL C C 13 175.911 0.000 B 224 VAL CA C 13 61.709 0.025 B 224 VAL CB C 13 33.851 0.025 B 224 VAL CGy C 13 21.318 0.022 B 224 VAL CGx C 13 21.296 0.036 B 224 VAL N N 15 122.000 0.018 B 225 GLU H H 1 8.733 0.002 B 225 GLU HA H 1 4.558 0.001 B 225 GLU HBy H 1 2.007 0.003 B 225 GLU HBx H 1 1.816 0.005 B 225 GLU HG2 H 1 2.188 0.004 B 225 GLU HG3 H 1 2.188 0.004 B 225 GLU C C 13 175.970 0.000 B 225 GLU CA C 13 55.248 0.021 B 225 GLU CB C 13 31.835 0.051 B 225 GLU CG C 13 35.800 0.056 B 225 GLU N N 15 128.797 0.035 B 226 GLY H H 1 8.984 0.001 B 226 GLY HAx H 1 3.663 0.001 B 226 GLY HAy H 1 3.950 0.002 B 226 GLY C C 13 174.018 0.000 B 226 GLY CA C 13 47.623 0.017 B 226 GLY N N 15 117.100 0.012 B 227 ASN H H 1 8.518 0.003 B 227 ASN HA H 1 5.093 0.003 B 227 ASN HBx H 1 2.760 0.002 B 227 ASN HBy H 1 3.737 0.004 B 227 ASN HD2x H 1 6.742 0.006 B 227 ASN HD2y H 1 7.476 0.001 B 227 ASN C C 13 173.818 0.000 B 227 ASN CA C 13 53.324 0.025 B 227 ASN CB C 13 39.094 0.050 B 227 ASN N N 15 125.872 0.013 B 227 ASN ND2 N 15 112.453 0.032 B 228 THR H H 1 8.093 0.002 B 228 THR HA H 1 4.989 0.002 B 228 THR HB H 1 4.215 0.002 B 228 THR HG2% H 1 1.226 0.003 B 228 THR C C 13 172.578 0.000 B 228 THR CA C 13 62.322 0.026 B 228 THR CB C 13 71.208 0.061 B 228 THR CG2 C 13 22.661 0.033 B 228 THR N N 15 116.278 0.019 B 229 LEU H H 1 9.138 0.003 B 229 LEU HA H 1 4.670 0.002 B 229 LEU HBx H 1 1.243 0.003 B 229 LEU HBy H 1 1.761 0.002 B 229 LEU HG H 1 1.610 0.004 B 229 LEU HDx% H 1 0.715 0.005 B 229 LEU HDy% H 1 0.736 0.005 B 229 LEU C C 13 174.842 0.000 B 229 LEU CA C 13 54.215 0.029 B 229 LEU CB C 13 42.773 0.026 B 229 LEU CD1 C 13 25.383 0.026 B 229 LEU CD2 C 13 25.383 0.026 B 229 LEU N N 15 126.899 0.014 B 230 ILE H H 1 9.199 0.003 B 230 ILE HA H 1 4.364 0.003 B 230 ILE HB H 1 1.777 0.005 B 230 ILE HG1x H 1 0.865 0.003 B 230 ILE HG1y H 1 1.472 0.003 B 230 ILE HG2% H 1 0.157 0.002 B 230 ILE HD1% H 1 0.791 0.002 B 230 ILE C C 13 175.769 0.000 B 230 ILE CA C 13 60.947 0.042 B 230 ILE CB C 13 37.888 0.047 B 230 ILE CG1 C 13 27.938 0.053 B 230 ILE CG2 C 13 17.954 0.033 B 230 ILE CD1 C 13 14.332 0.046 B 230 ILE N N 15 124.563 0.025 B 231 VAL H H 1 9.551 0.002 B 231 VAL HA H 1 4.396 0.002 B 231 VAL HB H 1 2.082 0.003 B 231 VAL HGx% H 1 0.847 0.010 B 231 VAL HGy% H 1 0.947 0.003 B 231 VAL C C 13 177.601 0.000 B 231 VAL CA C 13 61.152 0.034 B 231 VAL CB C 13 33.474 0.077 B 231 VAL CGy C 13 21.484 0.089 B 231 VAL CGx C 13 20.552 0.040 B 231 VAL N N 15 129.379 0.029 B 232 HIS H H 1 8.940 0.004 B 232 HIS HA H 1 4.376 0.003 B 232 HIS HBy H 1 3.326 0.004 B 232 HIS HBx H 1 3.219 0.003 B 232 HIS HD2 H 1 7.058 0.006 B 232 HIS CA C 13 56.106 0.023 B 232 HIS CB C 13 26.999 0.088 B 232 HIS CD2 C 13 118.996 0.118 B 232 HIS N N 15 127.758 0.031 B 233 GLY H H 1 8.316 0.003 B 233 GLY HAy H 1 4.186 0.002 B 233 GLY HAx H 1 3.918 0.006 B 233 GLY C C 13 171.592 0.000 B 233 GLY CA C 13 45.390 0.024 B 233 GLY N N 15 114.950 0.026 B 234 THR H H 1 6.976 0.003 B 234 THR HA H 1 4.283 0.003 B 234 THR HB H 1 3.625 0.002 B 234 THR HG2% H 1 0.699 0.001 B 234 THR C C 13 172.557 0.000 B 234 THR CA C 13 59.311 0.029 B 234 THR CB C 13 71.311 0.039 B 234 THR CG2 C 13 20.932 0.012 B 234 THR N N 15 106.855 0.023 B 235 TYR H H 1 9.203 0.002 B 235 TYR HA H 1 4.903 0.002 B 235 TYR HBy H 1 3.183 0.002 B 235 TYR HBx H 1 2.299 0.002 B 235 TYR HDx H 1 6.964 0.003 B 235 TYR HDy H 1 6.964 0.003 B 235 TYR HEx H 1 6.658 0.003 B 235 TYR HEy H 1 6.658 0.003 B 235 TYR CA C 13 56.151 0.029 B 235 TYR CB C 13 42.851 0.043 B 235 TYR CD1 C 13 133.745 0.071 B 235 TYR CD2 C 13 133.745 0.071 B 235 TYR CE1 C 13 117.719 0.049 B 235 TYR CE2 C 13 117.719 0.049 B 235 TYR N N 15 121.084 0.012 B 236 PRO HA H 1 4.154 0.002 B 236 PRO HBx H 1 2.052 0.003 B 236 PRO HBy H 1 2.288 0.004 B 236 PRO HGy H 1 2.681 0.002 B 236 PRO HGx H 1 2.215 0.004 B 236 PRO HDy H 1 4.151 0.003 B 236 PRO HDx H 1 4.010 0.004 B 236 PRO C C 13 176.853 0.000 B 236 PRO CA C 13 64.915 0.034 B 236 PRO CB C 13 32.394 0.047 B 236 PRO CG C 13 28.138 0.034 B 236 PRO CD C 13 50.506 0.039 B 237 PHE H H 1 7.244 0.002 B 237 PHE HA H 1 5.516 0.002 B 237 PHE HBx H 1 2.942 0.002 B 237 PHE HBy H 1 2.943 0.002 B 237 PHE HDx H 1 7.076 0.004 B 237 PHE HDy H 1 7.076 0.004 B 237 PHE C C 13 174.539 0.000 B 237 PHE CA C 13 56.477 0.020 B 237 PHE CB C 13 43.486 0.044 B 237 PHE N N 15 111.647 0.014 B 238 LEU H H 1 9.103 0.002 B 238 LEU HA H 1 5.382 0.001 B 238 LEU HBx H 1 1.390 0.010 B 238 LEU HBy H 1 1.668 0.003 B 238 LEU HG H 1 1.868 0.002 B 238 LEU HDx% H 1 0.966 0.003 B 238 LEU HDy% H 1 0.886 0.006 B 238 LEU C C 13 175.038 0.000 B 238 LEU CA C 13 53.466 0.020 B 238 LEU CB C 13 47.542 0.055 B 238 LEU CG C 13 27.127 0.076 B 238 LEU CD1 C 13 25.138 0.014 B 238 LEU CD2 C 13 25.138 0.014 B 238 LEU N N 15 119.268 0.015 B 239 VAL H H 1 9.366 0.002 B 239 VAL HA H 1 4.849 0.003 B 239 VAL HB H 1 1.951 0.004 B 239 VAL HGx% H 1 0.969 0.000 B 239 VAL HGy% H 1 0.974 0.005 B 239 VAL C C 13 174.509 0.000 B 239 VAL CA C 13 61.171 0.051 B 239 VAL CB C 13 35.389 0.034 B 239 VAL CGy C 13 22.387 0.034 B 239 VAL CGx C 13 20.599 0.011 B 239 VAL N N 15 119.601 0.020 B 240 VAL H H 1 9.188 0.002 B 240 VAL HA H 1 4.855 0.002 B 240 VAL HB H 1 2.085 0.004 B 240 VAL HGx% H 1 0.868 0.003 B 240 VAL HGy% H 1 0.861 0.006 B 240 VAL C C 13 175.477 0.000 B 240 VAL CA C 13 61.261 0.036 B 240 VAL CB C 13 33.233 0.058 B 240 VAL CGy C 13 22.097 0.000 B 240 VAL CGx C 13 20.554 0.000 B 240 VAL N N 15 126.413 0.034 B 241 ARG H H 1 9.429 0.003 B 241 ARG HA H 1 5.355 0.002 B 241 ARG HBy H 1 1.975 0.003 B 241 ARG HBx H 1 1.830 0.001 B 241 ARG HGy H 1 1.671 0.009 B 241 ARG HGx H 1 1.574 0.000 B 241 ARG HD2 H 1 2.999 0.012 B 241 ARG HD3 H 1 2.999 0.012 B 241 ARG C C 13 175.893 0.000 B 241 ARG CA C 13 55.348 0.032 B 241 ARG CB C 13 34.709 0.025 B 241 ARG CG C 13 29.137 0.060 B 241 ARG CD C 13 43.393 0.018 B 241 ARG N N 15 124.884 0.025 B 242 HIS H H 1 8.244 0.002 B 242 HIS HA H 1 4.698 0.007 B 242 HIS HBx H 1 2.861 0.004 B 242 HIS HBy H 1 3.161 0.005 B 242 HIS HD2 H 1 6.755 0.020 B 242 HIS HE1 H 1 8.040 0.016 B 242 HIS CA C 13 58.223 0.053 B 242 HIS CB C 13 33.970 0.089 B 242 HIS CD2 C 13 118.087 0.000 B 242 HIS CE1 C 13 138.614 0.034 B 242 HIS N N 15 121.596 0.096 B 243 GLY H H 1 9.018 0.005 B 243 GLY HAy H 1 3.960 0.006 B 243 GLY HAx H 1 3.652 0.003 B 243 GLY C C 13 174.654 0.000 B 243 GLY CA C 13 47.348 0.090 B 243 GLY N N 15 119.646 0.030 B 244 ASP H H 1 8.852 0.001 B 244 ASP HA H 1 4.636 0.001 B 244 ASP HBx H 1 2.694 0.000 B 244 ASP HBy H 1 2.751 0.003 B 244 ASP C C 13 175.086 0.000 B 244 ASP CA C 13 54.138 0.023 B 244 ASP CB C 13 40.281 0.033 B 244 ASP N N 15 126.537 0.084 B 245 ASN H H 1 8.268 0.007 B 245 ASN HA H 1 5.014 0.002 B 245 ASN HBy H 1 3.145 0.003 B 245 ASN HBx H 1 2.388 0.005 B 245 ASN HD2x H 1 7.318 0.005 B 245 ASN HD2y H 1 7.622 0.004 B 245 ASN C C 13 174.557 0.000 B 245 ASN CA C 13 53.189 0.021 B 245 ASN CB C 13 41.954 0.034 B 245 ASN N N 15 117.350 0.012 B 245 ASN ND2 N 15 116.025 0.043 B 246 VAL H H 1 8.699 0.002 B 246 VAL HA H 1 5.338 0.004 B 246 VAL HB H 1 1.945 0.002 B 246 VAL HGx% H 1 0.914 0.001 B 246 VAL HGy% H 1 0.911 0.003 B 246 VAL C C 13 174.155 0.000 B 246 VAL CA C 13 60.295 0.022 B 246 VAL CB C 13 35.258 0.029 B 246 VAL CGy C 13 22.197 0.027 B 246 VAL CGx C 13 20.857 0.052 B 246 VAL N N 15 121.022 0.029 B 247 VAL H H 1 9.309 0.005 B 247 VAL HA H 1 4.461 0.003 B 247 VAL HB H 1 1.956 0.005 B 247 VAL HGx% H 1 0.973 0.002 B 247 VAL HGy% H 1 0.850 0.003 B 247 VAL C C 13 174.153 0.000 B 247 VAL CA C 13 61.138 0.029 B 247 VAL CB C 13 35.453 0.066 B 247 VAL CGy C 13 21.035 0.047 B 247 VAL CGx C 13 20.897 0.007 B 247 VAL N N 15 130.273 0.029 B 248 GLY H H 1 9.040 0.002 B 248 GLY HAx H 1 1.934 0.004 B 248 GLY HAy H 1 4.525 0.003 B 248 GLY C C 13 172.203 0.000 B 248 GLY CA C 13 43.921 0.030 B 248 GLY N N 15 115.143 0.019 B 249 LEU H H 1 9.614 0.002 B 249 LEU HA H 1 5.940 0.002 B 249 LEU HBy H 1 2.079 0.002 B 249 LEU HBx H 1 1.370 0.003 B 249 LEU HG H 1 1.676 0.003 B 249 LEU HDx% H 1 1.023 0.001 B 249 LEU HDy% H 1 0.828 0.005 B 249 LEU C C 13 175.093 0.000 B 249 LEU CA C 13 53.405 0.026 B 249 LEU CB C 13 46.170 0.034 B 249 LEU CDx C 13 25.144 0.018 B 249 LEU CDy C 13 26.235 0.025 B 249 LEU N N 15 121.935 0.020 B 250 ARG H H 1 9.253 0.002 B 250 ARG HA H 1 4.567 0.002 B 250 ARG HBx H 1 0.585 0.006 B 250 ARG HBy H 1 1.065 0.005 B 250 ARG HGx H 1 0.605 0.006 B 250 ARG HGy H 1 0.750 0.004 B 250 ARG HDx H 1 1.688 0.002 B 250 ARG HDy H 1 2.731 0.002 B 250 ARG HE H 1 6.367 0.001 B 250 ARG C C 13 173.578 0.000 B 250 ARG CA C 13 53.975 0.025 B 250 ARG CB C 13 35.185 0.038 B 250 ARG CG C 13 25.445 0.030 B 250 ARG CD C 13 43.975 0.045 B 250 ARG CZ C 13 159.242 0.000 B 250 ARG N N 15 122.035 0.018 B 250 ARG NE N 15 82.240 0.013 B 251 ARG H H 1 7.610 0.002 B 251 ARG HA H 1 3.341 0.003 B 251 ARG HBx H 1 1.440 0.006 B 251 ARG HBy H 1 1.685 0.002 B 251 ARG HGx H 1 0.786 0.003 B 251 ARG HGy H 1 1.142 0.004 B 251 ARG HDy H 1 2.936 0.009 B 251 ARG HDx H 1 2.875 0.006 B 251 ARG HE H 1 7.764 0.001 B 251 ARG C C 13 175.935 0.000 B 251 ARG CA C 13 54.847 0.043 B 251 ARG CB C 13 30.648 0.065 B 251 ARG CG C 13 28.987 0.048 B 251 ARG CD C 13 43.480 0.044 B 251 ARG CZ C 13 159.090 0.000 B 251 ARG N N 15 127.215 0.033 B 251 ARG NE N 15 87.121 0.011 B 252 ASN H H 1 8.412 0.003 B 252 ASN HA H 1 4.346 0.002 B 252 ASN HBy H 1 2.526 0.003 B 252 ASN HBx H 1 2.432 0.004 B 252 ASN HD2y H 1 7.476 0.005 B 252 ASN HD2x H 1 6.924 0.004 B 252 ASN C C 13 175.816 0.000 B 252 ASN CA C 13 54.534 0.027 B 252 ASN CB C 13 38.115 0.050 B 252 ASN CG C 13 175.154 0.011 B 252 ASN N N 15 128.475 0.023 B 252 ASN ND2 N 15 114.812 0.031 B 253 LYS H H 1 8.277 0.002 B 253 LYS HA H 1 4.195 0.003 B 253 LYS HBy H 1 1.701 0.004 B 253 LYS HBx H 1 1.668 0.002 B 253 LYS HGx H 1 1.342 0.002 B 253 LYS HGy H 1 1.344 0.003 B 253 LYS HD2 H 1 1.591 0.004 B 253 LYS HD3 H 1 1.591 0.004 B 253 LYS HEx H 1 2.885 0.001 B 253 LYS HEy H 1 2.919 0.005 B 253 LYS C C 13 175.879 0.000 B 253 LYS CA C 13 56.499 0.027 B 253 LYS CB C 13 33.390 0.026 B 253 LYS CG C 13 24.689 0.032 B 253 LYS CD C 13 29.250 0.043 B 253 LYS CE C 13 42.175 0.030 B 253 LYS N N 15 122.549 0.014 B 254 GLN H H 1 8.396 0.007 B 254 GLN HA H 1 4.319 0.002 B 254 GLN HBy H 1 2.103 0.004 B 254 GLN HBx H 1 1.984 0.005 B 254 GLN HG2 H 1 2.401 0.002 B 254 GLN HG3 H 1 2.401 0.002 B 254 GLN C C 13 175.160 0.000 B 254 GLN CA C 13 56.318 0.026 B 254 GLN CB C 13 29.654 0.044 B 254 GLN CG C 13 34.086 0.068 B 254 GLN N N 15 123.791 0.191 B 255 LYS H H 1 8.023 0.001 B 255 LYS CA C 13 57.983 0.000 B 255 LYS N N 15 128.254 0.013 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type . save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _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 B 247 VAL HB B 248 GLY H 1.0 0.0 4.07 2 2 B 247 VAL HA B 247 VAL HGy% 1.0 0.0 3.24 3 3 B 247 VAL HGy% B 254 GLN HA 1.0 0.0 3.98 4 4 B 239 VAL H B 238 LEU HBy 1.0 0.0 4.48 5 5 B 201 THR HA B 204 PHE HDx 1.0 0.0 3.45 6 6 B 222 THR HA B 222 THR HG2% 1.0 0.0 3.26 7 7 B 221 ASN HA B 221 ASN HD2y 1.0 0.0 3.02 8 7 B 221 ASN HA B 221 ASN HD2x 1.0 0.0 3.02 9 8 B 194 MET HA B 195 ASP HBy 1.0 0.0 4.55 10 8 B 194 MET HA B 195 ASP HBx 1.0 0.0 4.55 11 9 B 219 LEU HB3 B 221 ASN HD2y 1.0 0.0 4.47 12 9 B 221 ASN HD2x B 219 LEU HB3 1.0 0.0 4.47 13 10 B 221 ASN HBy B 221 ASN HD2y 1.0 0.0 3.68 14 10 B 221 ASN HD2x B 221 ASN HBy 1.0 0.0 3.68 15 11 B 219 LEU HB2 B 221 ASN HD2y 1.0 0.0 3.86 16 11 B 221 ASN HD2x B 219 LEU HB2 1.0 0.0 3.86 17 12 B 221 ASN HBx B 221 ASN HD2y 1.0 0.0 3.39 18 12 B 221 ASN HD2x B 221 ASN HBx 1.0 0.0 3.39 19 13 B 253 LYS HGx B 216 GLU HBx 1.0 0.0 3.68 20 14 B 203 ASN HA B 203 ASN HD2y 1.0 0.0 4.09 21 14 B 203 ASN HA B 203 ASN HD2x 1.0 0.0 4.09 22 15 B 200 PRO HA B 200 PRO HDy 1.0 0.0 4.50 23 16 B 200 PRO HA B 200 PRO HDx 1.0 0.0 4.50 24 17 B 200 PRO HA B 200 PRO HG2 1.0 0.0 3.58 25 18 B 237 PHE H B 236 PRO HBy 1.0 0.0 4.64 26 19 B 225 GLU HG3 B 226 GLY H 1.0 0.0 5.50 27 20 B 253 LYS HGx B 255 LYS HGx 1.0 0.0 5.50 28 21 B 253 LYS HGx B 255 LYS HDy 1.0 0.0 4.63 29 22 B 255 LYS HDy B 250 ARG HBx 1.0 0.0 3.41 30 23 B 255 LYS HDy B 250 ARG HBy 1.0 0.0 3.75 31 24 B 255 LYS HGx B 255 LYS HDy 1.0 0.0 2.98 32 25 B 249 LEU HA B 255 LYS HDy 1.0 0.0 4.51 33 26 B 254 GLN HA B 255 LYS HDy 1.0 0.0 4.96 34 27 B 255 LYS HDy B 250 ARG HA 1.0 0.0 5.27 35 28 B 255 LYS HDy B 255 LYS HA 1.0 0.0 4.21 36 29 B 204 PHE HDx B 204 PHE HA 1.0 0.0 4.17 37 30 B 253 LYS HGx B 218 PHE HA 1.0 0.0 4.18 38 31 B 221 ASN HBx B 252 ASN HA 1.0 0.0 4.10 39 32 B 210 ARG HA B 216 GLU HBy 1.0 0.0 4.88 40 33 A 37 VAL HB B 193 ASN HA 1.0 0.0 4.70 41 34 B 210 ARG HA B 215 ALA HA 1.0 0.0 3.38 42 35 B 193 ASN HA A 37 VAL H 1.0 0.0 3.59 43 36 B 193 ASN HA A 36 HIS HA 1.0 0.0 3.36 44 37 B 218 PHE HBx B 218 PHE H 1.0 0.0 3.70 45 38 B 218 PHE HBy B 219 LEU H 1.0 0.0 4.55 46 39 B 182 ARG HA B 182 ARG HGx 1.0 0.0 3.18 47 40 B 253 LYS HGx B 255 LYS HA 1.0 0.0 4.42 48 41 B 241 ARG HA B 241 ARG HGy 1.0 0.0 4.12 49 42 B 252 ASN HA B 221 ASN HD2y 1.0 0.0 4.96 50 42 B 221 ASN HD2x B 252 ASN HA 1.0 0.0 4.96 51 43 B 194 MET HA A 34 TRP HZ3 1.0 0.0 4.07 52 44 B 229 LEU HA B 221 ASN HD2y 1.0 0.0 4.42 53 44 B 229 LEU HA B 221 ASN HD2x 1.0 0.0 4.42 54 45 B 203 ASN HBx B 203 ASN HD2y 1.0 0.0 4.12 55 45 B 203 ASN HBx B 203 ASN HD2x 1.0 0.0 4.12 56 46 B 247 VAL HGy% B 254 GLN HBx 1.0 0.0 4.07 57 47 B 204 PHE HDx B 203 ASN HBy 1.0 0.0 4.84 58 48 B 244 ASP HBy B 245 ASN H 1.0 0.0 4.06 59 49 B 203 ASN HBx B 203 ASN H 1.0 0.0 4.19 60 50 B 253 LYS HGx B 216 GLU HBy 1.0 0.0 4.65 61 51 B 204 PHE HA B 205 PRO HDy 1.0 0.0 3.26 62 52 B 204 PHE HA B 205 PRO HDx 1.0 0.0 3.26 63 53 B 234 THR HB B 235 TYR HA 1.0 0.0 4.23 64 54 B 213 GLU H B 213 GLU HGy 1.0 0.0 5.10 65 55 B 203 ASN HBx B 204 PHE H 1.0 0.0 5.07 66 56 B 214 HIS HA B 214 HIS HD2 1.0 0.0 3.59 67 56 B 214 HIS HA B 214 HIS HD1 1.0 0.0 3.59 68 57 B 255 LYS HGx B 214 HIS HA 1.0 0.0 4.71 69 58 B 198 ARG HGx B 198 ARG HA 1.0 0.0 3.65 70 59 B 219 LEU HB3 B 205 PRO HA 1.0 0.0 3.77 71 60 B 235 TYR HBy B 234 THR HA 1.0 0.0 4.49 72 61 B 213 GLU HA B 213 GLU HGy 1.0 0.0 3.68 73 62 B 213 GLU HA B 213 GLU HGx 1.0 0.0 3.68 74 63 B 190 THR HA B 209 ALA HB% 1.0 0.0 3.97 75 64 B 184 TYR HA B 185 ASP H 1.0 0.0 2.78 76 65 B 244 ASP HA B 244 ASP HBy 1.0 0.0 2.94 77 66 B 235 TYR HA B 240 VAL HB 1.0 0.0 4.21 78 67 B 235 TYR HDy B 235 TYR HA 1.0 0.0 5.04 79 68 B 235 TYR HA B 235 TYR HDx 1.0 0.0 4.53 80 69 B 235 TYR HDx B 235 TYR HBx 1.0 0.0 4.17 81 70 B 235 TYR HDy B 235 TYR HBy 1.0 0.0 3.99 82 71 B 223 THR HA B 223 THR HG1 1.0 0.0 4.16 83 72 B 215 ALA HA B 210 ARG HBx 1.0 0.0 3.89 84 73 B 215 ALA HA B 210 ARG HBy 1.0 0.0 3.87 85 74 B 201 THR HA B 203 ASN H 1.0 0.0 3.86 86 75 B 222 THR HB B 223 THR H 1.0 0.0 4.32 87 76 B 201 THR HA B 198 ARG HGx 1.0 0.0 5.22 88 77 B 198 ARG HGx B 203 ASN H 1.0 0.0 4.83 89 78 B 209 ALA HA B 190 THR HA 1.0 0.0 3.65 90 79 B 190 THR HA B 209 ALA HB% 1.0 0.0 4.24 91 80 B 190 THR HA B 189 PHE HA 1.0 0.0 4.65 92 81 B 189 PHE HA B 191 TYR H 1.0 0.0 4.18 93 82 B 189 PHE HA B 189 PHE HD% 1.0 0.0 3.53 94 83 B 188 LYS HA B 188 LYS HEy 1.0 0.0 4.92 95 83 B 188 LYS HA B 188 LYS HEx 1.0 0.0 4.92 96 84 B 188 LYS HA B 189 PHE HBy 1.0 0.0 5.30 97 85 B 188 LYS HA B 189 PHE HBx 1.0 0.0 4.68 98 86 B 182 ARG HA B 182 ARG HDx 1.0 0.0 4.54 99 87 B 255 LYS HGx B 255 LYS HA 1.0 0.0 3.32 100 88 B 254 GLN HA B 255 LYS HGx 1.0 0.0 5.50 101 89 B 255 LYS HGx B 216 GLU HA 1.0 0.0 5.10 102 90 B 204 PHE HDx B 203 ASN H 1.0 0.0 5.08 103 91 B 253 LYS HGx B 253 LYS HA 1.0 0.0 3.29 104 92 B 193 ASN HA A 34 TRP HZ3 1.0 0.0 4.55 105 93 B 211 GLU HA B 188 LYS HD2 1.0 0.0 4.24 106 93 B 188 LYS HD3 B 211 GLU HA 1.0 0.0 4.24 107 94 B 211 GLU HA B 188 LYS HEy 1.0 0.0 5.09 108 94 B 188 LYS HEx B 211 GLU HA 1.0 0.0 5.09 109 95 B 218 PHE HA B 253 LYS HA 1.0 0.0 3.32 110 96 B 221 ASN HBy B 252 ASN HA 1.0 0.0 3.74 111 97 B 211 GLU HA B 189 PHE H 1.0 0.0 4.17 112 98 B 221 ASN HA B 223 THR H 1.0 0.0 3.72 113 99 B 241 ARG HA B 240 VAL HB 1.0 0.0 4.91 114 100 A 34 TRP HA B 195 ASP HBy 1.0 0.0 4.37 115 100 B 195 ASP HBx A 34 TRP HA 1.0 0.0 4.37 116 101 B 217 ASP HA B 208 PHE HA 1.0 0.0 3.46 117 102 B 247 VAL HGy% B 254 GLN HBy 1.0 0.0 4.07 118 103 B 241 ARG HGy B 240 VAL HB 1.0 0.0 4.60 119 104 B 240 VAL HB B 235 TYR HBx 1.0 0.0 3.85 120 105 B 240 VAL HB B 236 PRO HGy 1.0 0.0 4.78 121 106 B 240 VAL HB B 236 PRO HGx 1.0 0.0 4.78 122 107 B 240 VAL HB B 235 TYR HDx 1.0 0.0 4.47 123 108 B 196 LEU HA A 31 GLY H 1.0 0.0 4.48 124 109 B 207 VAL H B 206 ALA HB% 1.0 0.0 4.34 125 110 B 207 VAL H B 206 ALA HB% 1.0 0.0 4.34 126 111 B 205 PRO HA B 207 VAL H 1.0 0.0 3.83 127 112 B 204 PHE HDx B 204 PHE H 1.0 0.0 3.26 128 113 B 203 ASN HA B 204 PHE H 1.0 0.0 3.50 129 114 B 203 ASN H B 204 PHE H 1.0 0.0 2.86 130 115 B 223 THR H B 222 THR H 1.0 0.0 2.93 131 116 B 203 ASN H B 200 PRO HBy 1.0 0.0 3.60 132 117 B 203 ASN HBy B 203 ASN H 1.0 0.0 3.00 133 118 B 203 ASN H B 203 ASN HD2y 1.0 0.0 4.31 134 118 B 203 ASN H B 203 ASN HD2x 1.0 0.0 4.31 135 119 B 203 ASN H B 200 PRO HBx 1.0 0.0 4.34 136 120 B 204 PHE H B 205 PRO HDx 1.0 0.0 5.50 137 121 B 201 THR HA B 202 GLY H 1.0 0.0 3.24 138 122 B 204 PHE H B 202 GLY H 1.0 0.0 4.17 139 123 B 200 PRO HBy B 202 GLY H 1.0 0.0 4.51 140 124 B 203 ASN HBy B 202 GLY H 1.0 0.0 4.55 141 125 B 205 PRO HBy B 206 ALA H 1.0 0.0 4.08 142 126 B 205 PRO HA B 206 ALA H 1.0 0.0 2.76 143 127 B 206 ALA H B 219 LEU HA 1.0 0.0 3.54 144 128 B 218 PHE H B 206 ALA H 1.0 0.0 4.83 145 129 B 242 HIS H B 241 ARG HBy 1.0 0.0 3.10 146 130 B 242 HIS H B 241 ARG HGx 1.0 0.0 3.69 147 131 B 241 ARG HA B 242 HIS H 1.0 0.0 2.54 148 132 B 192 ILE H B 191 TYR HA 1.0 0.0 2.97 149 133 B 242 HIS H B 243 GLY H 1.0 0.0 4.69 150 134 B 235 TYR HA B 243 GLY H 1.0 0.0 4.20 151 135 B 243 GLY H B 242 HIS HA 1.0 0.0 3.03 152 136 B 244 ASP HA B 243 GLY H 1.0 0.0 5.33 153 137 B 235 TYR HBy B 243 GLY H 1.0 0.0 5.50 154 138 B 237 PHE H B 238 LEU H 1.0 0.0 4.77 155 139 B 237 PHE H B 235 TYR HA 1.0 0.0 3.94 156 140 B 237 PHE H B 236 PRO HBx 1.0 0.0 4.64 157 141 B 237 PHE H B 240 VAL HB 1.0 0.0 2.77 158 142 B 237 PHE H B 235 TYR HBy 1.0 0.0 4.33 159 143 B 224 VAL H B 222 THR H 1.0 0.0 4.35 160 144 B 221 ASN HA B 224 VAL H 1.0 0.0 4.22 161 145 B 229 LEU HA B 224 VAL H 1.0 0.0 5.46 162 146 B 222 THR HA B 224 VAL H 1.0 0.0 3.64 163 147 B 223 THR HA B 224 VAL H 1.0 0.0 3.42 164 148 B 221 ASN HBy B 224 VAL H 1.0 0.0 5.50 165 149 B 224 VAL H B 225 GLU HBx 1.0 0.0 5.50 166 150 B 225 GLU HG3 B 224 VAL H 1.0 0.0 5.50 167 151 B 222 THR HG2% B 224 VAL H 1.0 0.0 5.02 168 152 B 221 ASN HBx B 224 VAL H 1.0 0.0 5.24 169 153 B 224 VAL H B 221 ASN HD2y 1.0 0.0 5.50 170 153 B 221 ASN HD2x B 224 VAL H 1.0 0.0 5.50 171 154 B 205 PRO HBx B 208 PHE H 1.0 0.0 5.47 172 155 B 218 PHE HBy B 208 PHE H 1.0 0.0 5.45 173 156 B 209 ALA HB% B 208 PHE H 1.0 0.0 4.72 174 157 B 217 ASP HA B 208 PHE H 1.0 0.0 5.01 175 158 B 207 VAL HA B 208 PHE H 1.0 0.0 2.83 176 159 B 207 VAL H B 208 PHE H 1.0 0.0 4.36 177 160 B 209 ALA H B 208 PHE H 1.0 0.0 4.21 178 161 B 255 LYS HGx B 214 HIS H 1.0 0.0 5.13 179 162 B 214 HIS H B 213 GLU HBy 1.0 0.0 3.60 180 163 B 214 HIS H B 213 GLU HBx 1.0 0.0 3.60 181 164 B 214 HIS H B 213 GLU HGy 1.0 0.0 5.22 182 165 B 214 HIS H B 213 GLU HGx 1.0 0.0 5.22 183 166 B 214 HIS HBx B 214 HIS H 1.0 0.0 3.75 184 167 B 214 HIS HBy B 214 HIS H 1.0 0.0 3.41 185 168 B 210 ARG HBx B 214 HIS H 1.0 0.0 5.50 186 169 B 210 ARG HA B 214 HIS H 1.0 0.0 5.50 187 170 B 214 HIS H B 214 HIS HD2 1.0 0.0 4.17 188 170 B 214 HIS HD1 B 214 HIS H 1.0 0.0 4.17 189 171 B 214 HIS H B 211 GLU H 1.0 0.0 3.77 190 172 B 215 ALA H B 214 HIS H 1.0 0.0 4.69 191 173 B 204 PHE HDx B 201 THR H 1.0 0.0 4.65 192 174 B 198 ARG HGx B 201 THR H 1.0 0.0 5.50 193 175 B 200 PRO HA B 201 THR H 1.0 0.0 2.87 194 176 B 200 PRO HBx B 201 THR H 1.0 0.0 4.41 195 177 B 200 PRO HG2 B 201 THR H 1.0 0.0 5.50 196 178 B 201 THR H B 200 PRO HG3 1.0 0.0 5.50 197 179 B 200 PRO HBy B 201 THR H 1.0 0.0 4.52 198 180 B 221 ASN H B 220 VAL HA 1.0 0.0 2.86 199 181 B 221 ASN H B 220 VAL H 1.0 0.0 3.49 200 182 B 219 LEU H B 221 ASN H 1.0 0.0 4.22 201 183 B 194 MET HA B 195 ASP H 1.0 0.0 2.99 202 184 A 34 TRP HZ3 B 195 ASP H 1.0 0.0 4.18 203 185 B 195 ASP H B 194 MET HBy 1.0 0.0 4.38 204 186 B 194 MET HBx B 195 ASP H 1.0 0.0 3.42 205 187 A 31 GLY H B 197 THR H 1.0 0.0 4.91 206 188 B 196 LEU HA B 197 THR H 1.0 0.0 3.02 207 189 B 198 ARG HA B 197 THR H 1.0 0.0 4.89 208 190 B 197 THR H B 197 THR HG1 1.0 0.0 4.13 209 191 B 196 LEU HA B 198 ARG H 1.0 0.0 4.17 210 192 B 198 ARG HGx B 198 ARG H 1.0 0.0 3.05 211 193 B 197 THR H B 198 ARG H 1.0 0.0 3.06 212 194 B 227 ASN H B 229 LEU H 1.0 0.0 5.02 213 195 B 229 LEU H B 228 THR HA 1.0 0.0 2.83 214 196 B 229 LEU HBy B 229 LEU H 1.0 0.0 3.67 215 197 B 229 LEU HBx B 229 LEU H 1.0 0.0 2.73 216 198 B 188 LYS H B 188 LYS HBx 1.0 0.0 3.66 217 199 B 227 ASN H B 226 GLY H 1.0 0.0 3.17 218 200 B 226 GLY H B 225 GLU HA 1.0 0.0 2.79 219 201 B 226 GLY H B 225 GLU HG2 1.0 0.0 4.35 220 202 B 226 GLY H B 225 GLU HBx 1.0 0.0 3.71 221 203 B 230 ILE HA B 231 VAL H 1.0 0.0 2.80 222 204 B 231 VAL H B 232 HIS H 1.0 0.0 4.62 223 205 B 210 ARG HA B 216 GLU H 1.0 0.0 3.69 224 206 B 215 ALA HA B 216 GLU H 1.0 0.0 2.98 225 207 B 208 PHE HA B 216 GLU H 1.0 0.0 5.50 226 208 B 216 GLU H B 210 ARG HBy 1.0 0.0 5.22 227 209 B 216 GLU H B 210 ARG HBx 1.0 0.0 4.21 228 210 B 253 LYS HGx B 216 GLU H 1.0 0.0 4.90 229 211 B 202 GLY H B 201 THR H 1.0 0.0 3.71 230 212 B 204 PHE HDx B 202 GLY H 1.0 0.0 4.84 231 213 B 238 LEU H B 237 PHE HA 1.0 0.0 3.21 232 214 B 238 LEU HA B 238 LEU H 1.0 0.0 2.91 233 215 B 199 PHE H B 198 ARG HA 1.0 0.0 2.66 234 216 B 198 ARG HGx B 199 PHE H 1.0 0.0 3.88 235 217 B 200 PRO HG2 B 199 PHE H 1.0 0.0 4.46 236 218 B 188 LYS HBy B 188 LYS H 1.0 0.0 3.05 237 219 B 188 LYS H B 188 LYS HD2 1.0 0.0 3.77 238 219 B 188 LYS HD3 B 188 LYS H 1.0 0.0 3.77 239 220 B 187 GLY H B 188 LYS H 1.0 0.0 3.73 240 221 B 185 ASP H B 185 ASP HBy 1.0 0.0 3.78 241 222 B 185 ASP H B 185 ASP HBx 1.0 0.0 3.78 242 223 B 213 GLU H B 211 GLU H 1.0 0.0 3.51 243 224 B 248 GLY H B 249 LEU H 1.0 0.0 4.57 244 225 B 213 GLU H B 211 GLU HA 1.0 0.0 4.46 245 226 B 210 ARG HBy B 213 GLU H 1.0 0.0 4.63 246 227 B 213 GLU H B 214 HIS HBy 1.0 0.0 4.08 247 228 B 210 ARG HBx B 213 GLU H 1.0 0.0 5.50 248 229 B 213 GLU H B 213 GLU HBy 1.0 0.0 3.72 249 230 B 213 GLU H B 213 GLU HBx 1.0 0.0 3.72 250 231 B 255 LYS HDy B 249 LEU H 1.0 0.0 4.81 251 232 B 213 GLU H B 213 GLU HGx 1.0 0.0 5.10 252 233 B 181 SER H B 182 ARG H 1.0 0.0 4.30 253 234 B 181 SER H B 180 PRO HA 1.0 0.0 2.76 254 235 B 181 SER H B 180 PRO HBx 1.0 0.0 3.46 255 235 B 181 SER H B 180 PRO HBy 1.0 0.0 3.46 256 236 A 34 TRP HZ3 B 194 MET H 1.0 0.0 4.08 257 237 B 193 ASN HA B 194 MET H 1.0 0.0 3.15 258 238 A 36 HIS HA B 194 MET H 1.0 0.0 4.01 259 239 B 195 ASP H B 194 MET H 1.0 0.0 4.68 260 240 A 37 VAL H B 194 MET H 1.0 0.0 4.30 261 241 B 194 MET H A 35 LYS H 1.0 0.0 3.52 262 242 A 37 VAL HB B 194 MET H 1.0 0.0 5.27 263 243 B 194 MET HBy B 194 MET H 1.0 0.0 4.08 264 244 B 193 ASN HBx B 194 MET H 1.0 0.0 4.41 265 245 B 194 MET H B 193 ASN HBy 1.0 0.0 3.43 266 246 B 250 ARG HBy B 251 ARG H 1.0 0.0 4.14 267 247 B 250 ARG HBx B 251 ARG H 1.0 0.0 4.76 268 248 B 250 ARG HA B 251 ARG H 1.0 0.0 2.74 269 249 B 251 ARG H B 250 ARG H 1.0 0.0 4.28 270 250 B 240 VAL HB B 241 ARG H 1.0 0.0 2.65 271 251 B 241 ARG H B 241 ARG HBx 1.0 0.0 2.72 272 252 B 241 ARG HGy B 241 ARG H 1.0 0.0 3.25 273 253 B 241 ARG H B 240 VAL HA 1.0 0.0 2.86 274 254 B 241 ARG H B 240 VAL H 1.0 0.0 4.69 275 255 B 237 PHE H B 241 ARG H 1.0 0.0 5.36 276 256 B 253 LYS H B 252 ASN HBx 1.0 0.0 4.72 277 257 B 252 ASN HA B 253 LYS H 1.0 0.0 3.29 278 258 B 242 HIS HA B 241 ARG H 1.0 0.0 5.50 279 259 B 249 LEU HA B 253 LYS H 1.0 0.0 4.52 280 260 B 218 PHE HA B 253 LYS H 1.0 0.0 4.98 281 261 B 254 GLN H B 253 LYS H 1.0 0.0 4.62 282 262 B 251 ARG H B 253 LYS H 1.0 0.0 4.57 283 263 B 250 ARG H B 253 LYS H 1.0 0.0 3.54 284 264 B 253 LYS H B 252 ASN H 1.0 0.0 2.93 285 265 B 253 LYS H B 252 ASN HBy 1.0 0.0 4.72 286 266 B 195 ASP HA B 196 LEU H 1.0 0.0 2.62 287 267 B 197 THR HA B 196 LEU H 1.0 0.0 4.70 288 268 B 196 LEU H A 30 PHE HA 1.0 0.0 5.35 289 269 B 196 LEU H A 33 ARG H 1.0 0.0 4.83 290 270 B 197 THR H B 196 LEU H 1.0 0.0 4.64 291 271 A 35 LYS H B 196 LEU H 1.0 0.0 5.50 292 272 B 196 LEU H A 31 GLY HAx 1.0 0.0 5.50 293 273 B 196 LEU H A 31 GLY HAy 1.0 0.0 5.50 294 274 B 194 MET HBx B 196 LEU H 1.0 0.0 5.50 295 275 B 196 LEU H A 30 PHE HBy 1.0 0.0 5.48 296 276 B 204 PHE HDx B 196 LEU H 1.0 0.0 5.50 297 277 B 196 LEU H B 195 ASP HBy 1.0 0.0 3.31 298 277 B 195 ASP HBx B 196 LEU H 1.0 0.0 3.31 299 278 B 214 HIS HBx B 215 ALA H 1.0 0.0 3.33 300 279 B 255 LYS HA B 215 ALA H 1.0 0.0 3.86 301 280 B 214 HIS HA B 215 ALA H 1.0 0.0 2.93 302 281 B 210 ARG HA B 215 ALA H 1.0 0.0 4.92 303 282 B 215 ALA H B 214 HIS HD2 1.0 0.0 4.33 304 282 B 214 HIS HD1 B 215 ALA H 1.0 0.0 4.33 305 283 B 216 GLU H B 215 ALA H 1.0 0.0 4.57 306 284 B 255 LYS HGx B 215 ALA H 1.0 0.0 4.10 307 285 B 222 THR H B 221 ASN HD2y 1.0 0.0 4.94 308 285 B 221 ASN HD2x B 222 THR H 1.0 0.0 4.94 309 286 B 222 THR HG2% B 222 THR H 1.0 0.0 2.80 310 287 B 221 ASN HBx B 222 THR H 1.0 0.0 4.69 311 288 B 221 ASN HBy B 222 THR H 1.0 0.0 4.00 312 289 B 222 THR H B 220 VAL HA 1.0 0.0 3.82 313 290 B 213 GLU H B 212 LYS H 1.0 0.0 3.61 314 291 B 211 GLU H B 212 LYS H 1.0 0.0 3.98 315 292 B 239 VAL H B 238 LEU HBx 1.0 0.0 4.48 316 293 B 239 VAL H B 235 TYR HDx 1.0 0.0 4.74 317 294 B 239 VAL H B 237 PHE H 1.0 0.0 4.77 318 295 B 209 ALA HB% B 210 ARG H 1.0 0.0 4.13 319 296 B 210 ARG HBx B 210 ARG H 1.0 0.0 4.09 320 297 B 188 LYS HBx B 210 ARG H 1.0 0.0 5.44 321 298 B 189 PHE HBx B 210 ARG H 1.0 0.0 4.39 322 299 B 190 THR HA B 210 ARG H 1.0 0.0 4.51 323 300 B 188 LYS HA B 210 ARG H 1.0 0.0 5.39 324 301 B 211 GLU HA B 210 ARG H 1.0 0.0 5.50 325 302 B 209 ALA HA B 210 ARG H 1.0 0.0 3.20 326 303 B 209 ALA H B 210 ARG H 1.0 0.0 4.87 327 304 B 211 GLU H B 210 ARG H 1.0 0.0 4.93 328 305 B 219 LEU HA B 220 VAL H 1.0 0.0 2.79 329 306 B 220 VAL H B 221 ASN HD2y 1.0 0.0 4.42 330 306 B 221 ASN HD2x B 220 VAL H 1.0 0.0 4.42 331 307 B 219 LEU HB2 B 220 VAL H 1.0 0.0 3.30 332 308 B 219 LEU HB3 B 220 VAL H 1.0 0.0 3.17 333 309 B 203 ASN H B 220 VAL H 1.0 0.0 5.50 334 310 B 205 PRO HA B 220 VAL H 1.0 0.0 4.61 335 311 B 248 GLY H B 247 VAL HA 1.0 0.0 2.75 336 312 B 248 GLY H B 247 VAL HGy% 1.0 0.0 3.34 337 313 B 234 THR HB B 243 GLY H 1.0 0.0 4.24 338 314 B 208 PHE HA B 207 VAL H 1.0 0.0 5.02 339 315 B 207 VAL H B 219 LEU HA 1.0 0.0 4.63 340 316 B 218 PHE HBy B 207 VAL H 1.0 0.0 3.13 341 317 B 218 PHE HA B 207 VAL H 1.0 0.0 5.02 342 318 B 207 VAL H B 206 ALA H 1.0 0.0 2.78 343 319 B 218 PHE H B 207 VAL H 1.0 0.0 3.56 344 320 B 200 PRO HA B 202 GLY H 1.0 0.0 3.90 345 321 B 231 VAL HB B 232 HIS H 1.0 0.0 3.24 346 322 B 247 VAL HGy% B 232 HIS H 1.0 0.0 5.12 347 323 B 232 HIS H B 231 VAL HA 1.0 0.0 2.73 348 324 B 232 HIS H B 233 GLY H 1.0 0.0 4.51 349 325 B 229 LEU H B 228 THR H 1.0 0.0 3.45 350 326 B 247 VAL HGy% B 247 VAL H 1.0 0.0 4.13 351 327 B 247 VAL HB B 247 VAL H 1.0 0.0 3.19 352 328 B 246 VAL HA B 247 VAL H 1.0 0.0 2.69 353 329 B 247 VAL H B 246 VAL H 1.0 0.0 4.80 354 330 B 248 GLY H B 247 VAL H 1.0 0.0 4.52 355 331 B 179 ILE H B 178 LEU HA 1.0 0.0 3.32 356 332 B 182 ARG HGx B 182 ARG H 1.0 0.0 3.86 357 333 B 182 ARG H B 181 SER HA 1.0 0.0 2.81 358 334 B 182 ARG HGx B 183 VAL H 1.0 0.0 3.59 359 335 B 182 ARG HA B 183 VAL H 1.0 0.0 2.79 360 336 B 183 VAL HA B 184 TYR H 1.0 0.0 2.78 361 337 B 244 ASP H B 244 ASP HBy 1.0 0.0 2.60 362 338 B 244 ASP H B 243 GLY H 1.0 0.0 4.62 363 339 B 244 ASP H B 245 ASN H 1.0 0.0 4.03 364 340 B 186 ASP H B 186 ASP HBx 1.0 0.0 3.85 365 341 B 191 TYR H B 191 TYR HBy 1.0 0.0 3.86 366 342 B 191 TYR H B 189 PHE HE% 1.0 0.0 4.30 367 343 B 191 TYR H B 189 PHE HD% 1.0 0.0 3.76 368 344 B 191 TYR H B 192 ILE H 1.0 0.0 4.58 369 345 B 191 TYR H B 190 THR H 1.0 0.0 3.13 370 346 B 191 TYR H B 189 PHE HBy 1.0 0.0 4.35 371 347 B 190 THR HA B 192 ILE H 1.0 0.0 5.50 372 348 B 193 ASN H B 192 ILE HA 1.0 0.0 2.91 373 349 B 194 MET H A 37 VAL HA 1.0 0.0 5.50 374 350 B 195 ASP HA B 194 MET H 1.0 0.0 5.22 375 351 B 194 MET H A 35 LYS HA 1.0 0.0 5.04 376 352 B 195 ASP H B 195 ASP HBy 1.0 0.0 3.32 377 352 B 195 ASP HBx B 195 ASP H 1.0 0.0 3.32 378 353 B 194 MET H B 195 ASP HBy 1.0 0.0 5.31 379 353 B 195 ASP HBx B 194 MET H 1.0 0.0 5.31 380 354 B 234 THR HB B 234 THR H 1.0 0.0 3.07 381 355 B 244 ASP HA B 234 THR H 1.0 0.0 5.23 382 356 B 245 ASN H B 234 THR H 1.0 0.0 4.58 383 357 B 235 TYR H B 234 THR H 1.0 0.0 4.58 384 358 B 243 GLY H B 234 THR H 1.0 0.0 3.35 385 359 B 233 GLY H B 234 THR H 1.0 0.0 4.82 386 360 B 255 LYS HGx B 255 LYS H 1.0 0.0 3.88 387 361 B 247 VAL HGy% B 255 LYS H 1.0 0.0 3.64 388 362 B 254 GLN HBx B 255 LYS H 1.0 0.0 3.82 389 363 B 247 VAL HB B 255 LYS H 1.0 0.0 5.50 390 364 B 254 GLN HA B 255 LYS H 1.0 0.0 2.87 391 365 B 247 VAL HA B 255 LYS H 1.0 0.0 4.80 392 366 B 255 LYS H B 250 ARG H 1.0 0.0 4.61 393 367 B 215 ALA HA B 210 ARG H 1.0 0.0 5.05 394 368 B 253 LYS HA B 217 ASP H 1.0 0.0 4.58 395 369 B 255 LYS HA B 217 ASP H 1.0 0.0 4.20 396 370 B 216 GLU HBx B 217 ASP H 1.0 0.0 3.86 397 371 B 254 GLN HBy B 217 ASP H 1.0 0.0 3.86 398 372 B 253 LYS HGx B 217 ASP H 1.0 0.0 3.32 399 373 B 218 PHE H B 208 PHE HA 1.0 0.0 3.95 400 374 B 218 PHE H B 207 VAL HA 1.0 0.0 5.10 401 375 B 218 PHE H B 253 LYS HA 1.0 0.0 5.38 402 376 B 217 ASP HA B 218 PHE H 1.0 0.0 2.87 403 377 B 218 PHE HBy B 218 PHE H 1.0 0.0 3.06 404 378 B 216 GLU HBy B 218 PHE H 1.0 0.0 5.50 405 379 B 205 PRO HBy B 218 PHE H 1.0 0.0 5.00 406 380 B 253 LYS HGx B 218 PHE H 1.0 0.0 4.68 407 381 B 218 PHE H B 209 ALA H 1.0 0.0 5.12 408 382 B 231 VAL HB B 231 VAL H 1.0 0.0 2.79 409 383 B 189 PHE HBx B 190 THR H 1.0 0.0 4.73 410 384 B 219 LEU HB2 B 219 LEU H 1.0 0.0 3.49 411 385 B 219 LEU HB3 B 219 LEU H 1.0 0.0 4.05 412 386 B 218 PHE HBx B 219 LEU H 1.0 0.0 3.66 413 387 B 219 LEU H B 253 LYS HA 1.0 0.0 3.54 414 388 B 252 ASN HA B 219 LEU H 1.0 0.0 4.63 415 389 B 219 LEU H B 218 PHE HA 1.0 0.0 2.60 416 390 B 189 PHE HE% B 190 THR H 1.0 0.0 5.26 417 391 B 219 LEU H B 218 PHE H 1.0 0.0 4.49 418 392 B 189 PHE HA B 190 THR H 1.0 0.0 3.05 419 393 A 34 TRP HH2 B 193 ASN H 1.0 0.0 5.50 420 394 A 34 TRP HZ3 B 193 ASN H 1.0 0.0 4.62 421 395 B 193 ASN H B 194 MET H 1.0 0.0 4.85 422 396 B 213 GLU H B 214 HIS HBx 1.0 0.0 5.43 423 397 B 213 GLU H B 214 HIS H 1.0 0.0 2.66 424 398 B 187 GLY H B 186 ASP HA 1.0 0.0 3.39 425 399 B 187 GLY H B 186 ASP HBx 1.0 0.0 4.44 426 400 B 187 GLY H B 186 ASP HBy 1.0 0.0 4.44 427 401 B 189 PHE HBx B 189 PHE H 1.0 0.0 3.49 428 402 B 189 PHE H B 188 LYS HBx 1.0 0.0 3.68 429 403 B 189 PHE HBy B 189 PHE H 1.0 0.0 3.55 430 404 B 209 ALA HB% B 189 PHE H 1.0 0.0 4.77 431 405 B 188 LYS HA B 189 PHE H 1.0 0.0 2.96 432 406 B 189 PHE H B 188 LYS H 1.0 0.0 4.58 433 407 B 189 PHE H B 190 THR H 1.0 0.0 4.62 434 408 B 189 PHE HBy B 190 THR H 1.0 0.0 4.19 435 409 B 193 ASN H B 193 ASN HBx 1.0 0.0 3.56 436 410 B 193 ASN H B 193 ASN HBy 1.0 0.0 4.00 437 411 B 209 ALA H B 216 GLU H 1.0 0.0 3.83 438 412 B 209 ALA H B 217 ASP H 1.0 0.0 5.50 439 413 B 210 ARG HA B 209 ALA H 1.0 0.0 5.38 440 414 B 208 PHE HA B 209 ALA H 1.0 0.0 2.74 441 415 B 217 ASP HA B 209 ALA H 1.0 0.0 3.95 442 416 B 209 ALA H B 209 ALA HB% 1.0 0.0 4.16 443 417 B 216 GLU HBx B 209 ALA H 1.0 0.0 5.01 444 418 B 216 GLU HBy B 209 ALA H 1.0 0.0 3.80 445 419 B 210 ARG HA B 211 GLU H 1.0 0.0 3.04 446 420 B 210 ARG HBx B 211 GLU H 1.0 0.0 3.53 447 421 B 211 GLU H B 211 GLU HBx 1.0 0.0 3.96 448 422 B 211 GLU H B 211 GLU HBy 1.0 0.0 3.96 449 423 B 210 ARG HBy B 211 GLU H 1.0 0.0 3.18 450 424 B 215 ALA HA B 211 GLU H 1.0 0.0 3.98 451 425 B 213 GLU H B 214 HIS HD2 1.0 0.0 4.64 452 425 B 213 GLU H B 214 HIS HD1 1.0 0.0 4.64 453 426 B 210 ARG HA B 213 GLU H 1.0 0.0 5.50 454 427 B 253 LYS HGx B 219 LEU H 1.0 0.0 4.39 455 428 B 219 LEU H B 221 ASN HD2y 1.0 0.0 4.37 456 428 B 221 ASN HD2x B 219 LEU H 1.0 0.0 4.37 457 429 B 205 PRO HBy B 219 LEU H 1.0 0.0 5.50 458 430 B 219 LEU H B 220 VAL H 1.0 0.0 4.52 459 431 B 252 ASN HA B 221 ASN H 1.0 0.0 3.71 460 432 B 221 ASN HBy B 221 ASN H 1.0 0.0 3.14 461 433 B 219 LEU HB3 B 221 ASN H 1.0 0.0 4.47 462 434 B 221 ASN H B 221 ASN HD2y 1.0 0.0 3.61 463 434 B 221 ASN HD2x B 221 ASN H 1.0 0.0 3.61 464 435 B 222 THR HB B 222 THR H 1.0 0.0 3.47 465 436 B 235 TYR H B 234 THR HA 1.0 0.0 2.90 466 437 B 235 TYR H B 235 TYR HDy 1.0 0.0 5.01 467 438 B 235 TYR H B 235 TYR HBx 1.0 0.0 3.81 468 439 B 235 TYR H B 235 TYR HBy 1.0 0.0 3.39 469 440 B 235 TYR H B 234 THR HB 1.0 0.0 2.96 470 441 B 227 ASN H B 228 THR HA 1.0 0.0 5.28 471 442 B 232 HIS HA B 233 GLY H 1.0 0.0 2.84 472 443 B 231 VAL HB B 233 GLY H 1.0 0.0 5.50 473 444 B 235 TYR H B 243 GLY H 1.0 0.0 5.26 474 445 B 239 VAL H B 240 VAL H 1.0 0.0 3.03 475 446 B 237 PHE H B 240 VAL H 1.0 0.0 3.55 476 447 B 240 VAL H B 239 VAL HA 1.0 0.0 3.37 477 448 B 237 PHE HA B 240 VAL H 1.0 0.0 4.90 478 449 B 235 TYR HBx B 240 VAL H 1.0 0.0 4.04 479 450 B 238 LEU HA B 240 VAL H 1.0 0.0 4.18 480 451 B 235 TYR HDy B 240 VAL H 1.0 0.0 4.60 481 452 B 235 TYR HDx B 240 VAL H 1.0 0.0 3.43 482 453 B 240 VAL HB B 240 VAL H 1.0 0.0 2.74 483 454 B 245 ASN HA B 246 VAL H 1.0 0.0 2.93 484 455 B 245 ASN H B 246 VAL H 1.0 0.0 4.57 485 456 B 250 ARG HBy B 250 ARG H 1.0 0.0 3.67 486 457 B 250 ARG HBx B 250 ARG H 1.0 0.0 3.34 487 458 B 249 LEU HA B 250 ARG H 1.0 0.0 2.73 488 459 B 255 LYS HDy B 250 ARG H 1.0 0.0 3.63 489 460 B 249 LEU H B 250 ARG H 1.0 0.0 4.60 490 461 B 252 ASN H B 252 ASN HBy 1.0 0.0 3.98 491 462 B 252 ASN H B 252 ASN HBx 1.0 0.0 3.98 492 463 B 252 ASN H B 252 ASN HD2y 1.0 0.0 4.63 493 464 B 252 ASN H B 252 ASN HD2x 1.0 0.0 4.63 494 465 B 251 ARG H B 252 ASN H 1.0 0.0 4.12 495 466 B 254 GLN H B 253 LYS HA 1.0 0.0 2.80 496 467 B 253 LYS HGx B 254 GLN H 1.0 0.0 3.09 497 468 B 254 GLN HBy B 254 GLN H 1.0 0.0 3.37 498 469 B 254 GLN H B 221 ASN HD2y 1.0 0.0 5.50 499 469 B 221 ASN HD2x B 254 GLN H 1.0 0.0 5.50 500 470 B 219 LEU H B 254 GLN H 1.0 0.0 4.67 501 471 B 254 GLN H B 217 ASP H 1.0 0.0 3.61 502 472 B 255 LYS HDy B 255 LYS H 1.0 0.0 3.52 503 473 B 255 LYS HGx B 214 HIS HD2 1.0 0.0 3.58 504 473 B 255 LYS HGx B 214 HIS HD1 1.0 0.0 3.58 505 474 A 37 VAL H A 36 HIS HA 1.0 0.0 3.30 506 475 A 38 ASN H A 38 ASN HBx 1.0 0.0 4.07 507 476 B 214 HIS HBy B 215 ALA H 1.0 0.0 4.20 508 477 A 35 LYS HA A 36 HIS H 1.0 0.0 3.07 509 478 A 31 GLY H B 196 LEU H 1.0 0.0 3.92 510 479 A 30 PHE HD% A 30 PHE H 1.0 0.0 3.52 511 480 A 37 VAL H B 192 ILE H 1.0 0.0 4.06 512 481 A 30 PHE HD% B 195 ASP HBy 1.0 0.0 3.48 513 481 B 195 ASP HBx A 30 PHE HD% 1.0 0.0 3.48 514 482 A 34 TRP HZ3 B 195 ASP HBy 1.0 0.0 4.02 515 482 B 195 ASP HBx A 34 TRP HZ3 1.0 0.0 4.02 516 483 A 34 TRP HZ3 B 193 ASN HBx 1.0 0.0 3.66 517 484 A 31 GLY H A 30 PHE HBy 1.0 0.0 4.02 518 485 A 34 TRP HBy A 34 TRP HD1 1.0 0.0 3.37 519 486 A 32 GLY H A 31 GLY HAy 1.0 0.0 3.53 520 487 A 32 GLY H A 31 GLY HAx 1.0 0.0 3.53 521 488 A 31 GLY H A 30 PHE HA 1.0 0.0 3.41 522 489 A 36 HIS H A 36 HIS HD2 1.0 0.0 4.10 523 490 A 34 TRP HZ3 B 193 ASN HBy 1.0 0.0 3.36 524 491 A 38 ASN H A 38 ASN HBy 1.0 0.0 4.07 525 492 A 36 HIS H A 35 LYS HBx 1.0 0.0 4.73 526 493 A 36 HIS H A 35 LYS HBy 1.0 0.0 4.73 527 494 A 30 PHE HBx A 30 PHE H 1.0 0.0 4.13 528 495 A 33 ARG HA A 34 TRP H 1.0 0.0 2.81 529 496 A 34 TRP HBy A 34 TRP H 1.0 0.0 3.29 530 497 A 34 TRP HH2 B 195 ASP HBy 1.0 0.0 4.03 531 497 B 195 ASP HBx A 34 TRP HH2 1.0 0.0 4.03 532 498 A 30 PHE HBy B 195 ASP HBy 1.0 0.0 4.41 533 498 B 195 ASP HBx A 30 PHE HBy 1.0 0.0 4.41 534 499 A 34 TRP HBy B 195 ASP HBy 1.0 0.0 5.03 535 499 B 195 ASP HBx A 34 TRP HBy 1.0 0.0 5.03 536 500 A 34 TRP HBx B 195 ASP HBy 1.0 0.0 5.45 537 500 B 195 ASP HBx A 34 TRP HBx 1.0 0.0 5.45 538 501 A 30 PHE HBx B 195 ASP HBy 1.0 0.0 4.60 539 501 B 195 ASP HBx A 30 PHE HBx 1.0 0.0 4.60 540 502 B 188 LYS HBy B 189 PHE H 1.0 0.0 4.54 541 503 A 34 TRP H A 33 ARG HBy 1.0 0.0 4.71 542 504 B 248 GLY H B 255 LYS HGx 1.0 0.0 4.27 543 505 A 35 LYS H B 195 ASP HBy 1.0 0.0 4.69 544 505 B 195 ASP HBx A 35 LYS H 1.0 0.0 4.69 545 506 A 38 ASN H A 37 VAL HGx% 1.0 0.0 4.59 546 507 A 37 VAL H A 37 VAL HGx% 1.0 0.0 4.09 547 508 A 37 VAL HB A 37 VAL H 1.0 0.0 3.70 548 509 B 209 ALA HB% B 190 THR H 1.0 0.0 4.78 549 510 B 255 LYS HGx B 214 HIS HBy 1.0 0.0 4.07 550 511 B 255 LYS HGx B 214 HIS HBx 1.0 0.0 3.71 551 512 A 34 TRP HZ2 B 195 ASP HBy 1.0 0.0 4.71 552 512 B 195 ASP HBx A 34 TRP HZ2 1.0 0.0 4.71 553 513 A 31 GLY H B 195 ASP HBy 1.0 0.0 4.79 554 513 B 195 ASP HBx A 31 GLY H 1.0 0.0 4.79 555 514 A 33 ARG H B 195 ASP HBy 1.0 0.0 4.89 556 514 B 195 ASP HBx A 33 ARG H 1.0 0.0 4.89 557 515 A 34 TRP H B 195 ASP HBy 1.0 0.0 4.98 558 515 B 195 ASP HBx A 34 TRP H 1.0 0.0 4.98 559 516 B 253 LYS HGx B 250 ARG H 1.0 0.0 4.88 560 517 B 188 LYS HD3 B 211 GLU HBy 1.0 0.0 4.52 561 517 B 188 LYS HD2 B 211 GLU HBy 1.0 0.0 4.52 562 518 A 30 PHE HBy A 30 PHE H 1.0 0.0 3.97 563 519 A 37 VAL H A 36 HIS HBx 1.0 0.0 4.82 564 520 A 31 GLY H A 30 PHE HBx 1.0 0.0 4.39 565 521 B 182 ARG HDx B 182 ARG H 1.0 0.0 5.21 566 522 B 194 MET HA B 193 ASN H 1.0 0.0 5.45 567 523 B 189 PHE H B 188 LYS HD2 1.0 0.0 4.65 568 523 B 188 LYS HD3 B 189 PHE H 1.0 0.0 4.65 569 524 B 189 PHE HD% B 210 ARG H 1.0 0.0 5.18 570 525 B 192 ILE H A 38 ASN H 1.0 0.0 5.09 571 526 B 193 ASN H B 192 ILE H 1.0 0.0 5.50 572 527 B 189 PHE HBy B 210 ARG H 1.0 0.0 4.51 573 528 A 35 LYS H A 34 TRP HBx 1.0 0.0 4.16 574 529 B 205 PRO HBx B 218 PHE H 1.0 0.0 4.81 575 530 A 37 VAL HA A 37 VAL HGx% 1.0 0.0 3.49 576 531 B 189 PHE HD% B 190 THR H 1.0 0.0 4.26 577 532 B 188 LYS HA B 188 LYS HD2 1.0 0.0 3.42 578 532 B 188 LYS HA B 188 LYS HD3 1.0 0.0 3.42 579 533 B 189 PHE HD% B 189 PHE H 1.0 0.0 4.17 580 534 B 189 PHE HE% B 191 TYR HBx 1.0 0.0 4.10 581 535 B 188 LYS HD3 B 211 GLU HBx 1.0 0.0 4.52 582 535 B 211 GLU HBx B 188 LYS HD2 1.0 0.0 4.52 583 536 B 191 TYR HBy B 189 PHE HE% 1.0 0.0 4.13 584 537 A 35 LYS H A 35 LYS HGx 1.0 0.0 5.38 585 538 A 35 LYS H A 35 LYS HGy 1.0 0.0 5.38 586 539 A 38 ASN H A 37 VAL HGy% 1.0 0.0 4.59 587 540 A 36 HIS H A 35 LYS HGx 1.0 0.0 4.99 588 541 A 36 HIS H A 35 LYS HGy 1.0 0.0 4.99 589 542 A 36 HIS H A 35 LYS HDx 1.0 0.0 5.50 590 543 A 36 HIS H A 35 LYS HDy 1.0 0.0 5.50 591 544 B 209 ALA HB% B 190 THR H 1.0 0.0 5.11 592 545 A 37 VAL H A 36 HIS HBy 1.0 0.0 4.82 593 546 A 37 VAL H A 38 ASN H 1.0 0.0 4.04 594 547 B 195 ASP HA A 31 GLY H 1.0 0.0 4.15 595 548 A 31 GLY H A 30 PHE HD% 1.0 0.0 4.10 596 549 A 34 TRP HD1 A 34 TRP H 1.0 0.0 3.68 597 550 A 31 GLY H A 32 GLY H 1.0 0.0 4.44 598 551 A 31 GLY H A 30 PHE H 1.0 0.0 4.65 599 552 A 32 GLY H A 34 TRP H 1.0 0.0 5.02 600 553 A 33 ARG H A 33 ARG HBy 1.0 0.0 3.96 601 554 A 33 ARG H A 33 ARG HBx 1.0 0.0 3.96 602 555 A 34 TRP H A 33 ARG HBx 1.0 0.0 4.71 603 556 A 28 PRO HBx A 29 ASP H 1.0 0.0 4.31 604 557 A 43 ALA H A 43 ALA HB% 1.0 0.0 4.01 605 558 A 29 ASP H A 28 PRO HBy 1.0 0.0 4.31 606 559 A 41 ASP H A 40 PHE HBx 1.0 0.0 4.76 607 560 A 40 PHE HA A 40 PHE HD% 1.0 0.0 3.60 608 561 A 30 PHE HA A 30 PHE HD% 1.0 0.0 3.83 609 562 A 40 PHE HA A 40 PHE HE% 1.0 0.0 4.59 610 563 A 34 TRP HZ3 A 34 TRP HA 1.0 0.0 4.63 611 564 A 41 ASP H A 40 PHE HD% 1.0 0.0 4.73 612 565 A 40 PHE HD% A 40 PHE H 1.0 0.0 4.65 613 566 A 34 TRP HZ3 A 35 LYS H 1.0 0.0 5.30 614 567 A 36 HIS HA A 35 LYS HGx 1.0 0.0 5.50 615 568 A 36 HIS HA A 35 LYS HGy 1.0 0.0 5.50 616 569 A 37 VAL HB A 36 HIS HA 1.0 0.0 5.05 617 570 A 37 VAL H A 37 VAL HGy% 1.0 0.0 4.09 618 571 A 39 HIS H A 38 ASN HA 1.0 0.0 3.56 619 572 A 41 ASP H A 41 ASP HBy 1.0 0.0 4.07 620 573 A 41 ASP H A 41 ASP HBx 1.0 0.0 4.07 621 574 A 41 ASP H A 40 PHE HBy 1.0 0.0 4.76 622 575 A 37 VAL HA A 36 HIS H 1.0 0.0 5.43 623 576 A 42 GLU H A 42 GLU HGx 1.0 0.0 5.19 624 577 A 42 GLU H A 42 GLU HGy 1.0 0.0 5.19 625 578 A 42 GLU H A 41 ASP HA 1.0 0.0 3.44 626 579 A 41 ASP H A 42 GLU HA 1.0 0.0 4.68 627 580 A 37 VAL HB A 38 ASN H 1.0 0.0 4.37 628 581 A 25 LYS H A 26 PRO HBy 1.0 0.0 5.00 629 582 A 36 HIS HA A 38 ASN H 1.0 0.0 5.32 630 583 A 36 HIS HA B 193 ASN H 1.0 0.0 5.50 631 584 A 30 PHE H A 29 ASP HA 1.0 0.0 3.55 632 585 A 33 ARG H A 32 GLY H 1.0 0.0 4.16 633 586 A 33 ARG H A 34 TRP H 1.0 0.0 3.68 634 587 A 43 ALA HB% A 44 PRO HDy 1.0 0.0 4.51 635 588 A 34 TRP HA A 34 TRP HD1 1.0 0.0 4.79 636 589 A 25 LYS HA A 26 PRO HDy 1.0 0.0 3.65 637 590 A 25 LYS HA A 26 PRO HDx 1.0 0.0 3.65 638 591 A 27 ALA HA A 28 PRO HDx 1.0 0.0 3.27 639 592 A 43 ALA HA A 44 PRO HDy 1.0 0.0 3.40 640 593 A 27 ALA HA A 28 PRO HDy 1.0 0.0 3.27 641 594 A 41 ASP H A 40 PHE HA 1.0 0.0 3.12 642 595 A 39 HIS H A 40 PHE H 1.0 0.0 5.07 643 596 A 41 ASP H A 40 PHE H 1.0 0.0 5.37 644 597 A 41 ASP H A 42 GLU H 1.0 0.0 3.85 645 598 A 30 PHE H A 29 ASP H 1.0 0.0 4.76 646 599 B 177 TRP H B 178 LEU H 1.0 0.0 4.15 647 600 B 204 PHE HA B 205 PRO HGy 1.0 0.0 5.50 648 601 B 205 PRO HGx B 204 PHE HA 1.0 0.0 5.50 649 602 A 37 VAL HA A 37 VAL HGy% 1.0 0.0 3.49 650 603 A 43 ALA HA A 44 PRO HDx 1.0 0.0 3.40 651 604 B 219 LEU HA B 221 ASN H 1.0 0.0 4.73 652 605 B 227 ASN H B 225 GLU HA 1.0 0.0 3.60 653 606 A 29 ASP H A 28 PRO HA 1.0 0.0 3.38 654 607 A 40 PHE H A 39 HIS HA 1.0 0.0 3.30 655 608 B 224 VAL H B 223 THR H 1.0 0.0 2.78 656 609 A 30 PHE HD% A 34 TRP HZ2 1.0 0.0 4.05 657 610 A 43 ALA HB% A 44 PRO HDx 1.0 0.0 4.51 658 611 A 39 HIS HA A 39 HIS HD2 1.0 0.0 4.95 659 612 A 36 HIS HA A 36 HIS HD2 1.0 0.0 4.94 660 613 A 35 LYS H A 34 TRP H 1.0 0.0 4.93 661 614 A 35 LYS H A 36 HIS H 1.0 0.0 5.20 662 615 B 184 TYR HA B 183 VAL H 1.0 0.0 5.50 663 616 B 210 ARG HBy B 212 LYS H 1.0 0.0 4.63 664 617 B 190 THR H B 191 TYR HBx 1.0 0.0 4.38 665 618 B 191 TYR H B 191 TYR HBx 1.0 0.0 3.15 666 619 B 191 TYR HBy B 192 ILE H 1.0 0.0 3.87 667 620 B 198 ARG HGx B 197 THR H 1.0 0.0 4.24 668 621 B 197 THR HG1 B 198 ARG H 1.0 0.0 5.50 669 622 B 203 ASN HBy B 204 PHE H 1.0 0.0 3.74 670 623 B 204 PHE H B 205 PRO HDy 1.0 0.0 5.50 671 624 B 201 THR HA B 204 PHE H 1.0 0.0 4.33 672 625 B 222 THR HG2% B 223 THR H 1.0 0.0 4.09 673 626 B 223 THR H B 221 ASN HD2y 1.0 0.0 5.36 674 626 B 221 ASN HD2x B 223 THR H 1.0 0.0 5.36 675 627 B 206 ALA H B 206 ALA HB% 1.0 0.0 3.97 676 628 B 206 ALA H B 206 ALA HB% 1.0 0.0 3.97 677 629 B 205 PRO HBx B 206 ALA H 1.0 0.0 3.57 678 630 B 218 PHE HBy B 206 ALA H 1.0 0.0 4.57 679 631 B 218 PHE HBx B 206 ALA H 1.0 0.0 4.90 680 632 B 219 LEU HB3 B 206 ALA H 1.0 0.0 4.65 681 633 B 205 PRO HBx B 207 VAL H 1.0 0.0 3.33 682 634 B 209 ALA HB% B 210 ARG H 1.0 0.0 3.37 683 635 B 214 HIS HBy B 211 GLU H 1.0 0.0 4.91 684 636 B 213 GLU H B 214 HIS HA 1.0 0.0 4.55 685 637 B 210 ARG HBy B 214 HIS H 1.0 0.0 5.04 686 638 B 216 GLU HBy B 216 GLU H 1.0 0.0 3.38 687 639 B 216 GLU HA B 217 ASP H 1.0 0.0 2.96 688 640 B 216 GLU HBx B 218 PHE H 1.0 0.0 5.18 689 641 B 219 LEU HB2 B 221 ASN H 1.0 0.0 4.41 690 642 B 222 THR HG2% B 221 ASN H 1.0 0.0 4.20 691 643 B 223 THR HA B 222 THR H 1.0 0.0 5.36 692 644 B 222 THR H B 252 ASN HBy 1.0 0.0 4.71 693 645 B 222 THR H B 252 ASN HBx 1.0 0.0 4.71 694 646 B 227 ASN H B 225 GLU HBy 1.0 0.0 4.75 695 647 B 201 THR H B 200 PRO HDy 1.0 0.0 5.50 696 648 B 201 THR H B 200 PRO HDx 1.0 0.0 5.50 697 649 B 226 GLY H B 225 GLU HBy 1.0 0.0 3.61 698 650 B 225 GLU HA B 228 THR H 1.0 0.0 4.35 699 651 B 229 LEU HBx B 228 THR H 1.0 0.0 5.50 700 652 B 232 HIS HA B 231 VAL H 1.0 0.0 5.50 701 653 B 234 THR HA B 233 GLY H 1.0 0.0 4.85 702 654 B 237 PHE H B 235 TYR HBx 1.0 0.0 3.19 703 655 B 239 VAL H B 240 VAL HA 1.0 0.0 4.88 704 656 B 239 VAL H B 240 VAL HB 1.0 0.0 4.35 705 657 B 241 ARG HGx B 243 GLY H 1.0 0.0 4.91 706 658 B 234 THR HB B 245 ASN H 1.0 0.0 4.29 707 659 B 244 ASP HA B 245 ASN H 1.0 0.0 3.36 708 660 B 248 GLY H B 255 LYS HDy 1.0 0.0 5.09 709 661 B 254 GLN HA B 250 ARG H 1.0 0.0 4.48 710 662 B 253 LYS HGx B 253 LYS H 1.0 0.0 4.00 711 663 B 250 ARG HBx B 253 LYS H 1.0 0.0 4.56 712 664 B 218 PHE HA B 254 GLN H 1.0 0.0 4.02 713 665 B 249 LEU HA B 255 LYS H 1.0 0.0 4.08 714 666 B 200 PRO HBx B 202 GLY H 1.0 0.0 4.54 715 667 B 186 ASP H B 185 ASP HA 1.0 0.0 2.93 716 668 B 186 ASP H B 186 ASP HBy 1.0 0.0 3.85 717 669 A 25 LYS H A 25 LYS HB2 1.0 0.0 3.56 718 669 A 25 LYS H A 25 LYS HB3 1.0 0.0 3.56 719 670 A 25 LYS H A 25 LYS HGy 1.0 0.0 5.26 720 670 A 25 LYS H A 25 LYS HGx 1.0 0.0 5.26 721 671 A 25 LYS HA A 26 PRO HDy 1.0 0.0 2.97 722 671 A 25 LYS HA A 26 PRO HDx 1.0 0.0 2.97 723 672 A 27 ALA HA A 28 PRO HDx 1.0 0.0 2.85 724 672 A 27 ALA HA A 28 PRO HDy 1.0 0.0 2.85 725 673 A 29 ASP H A 29 ASP HBy 1.0 0.0 3.54 726 673 A 29 ASP H A 29 ASP HBx 1.0 0.0 3.54 727 674 A 30 PHE H A 29 ASP HBy 1.0 0.0 3.70 728 674 A 30 PHE H A 29 ASP HBx 1.0 0.0 3.70 729 675 A 30 PHE HD% A 31 GLY HAx 1.0 0.0 4.62 730 675 A 30 PHE HD% A 31 GLY HAy 1.0 0.0 4.62 731 676 A 32 GLY H A 31 GLY HAx 1.0 0.0 3.05 732 676 A 32 GLY H A 31 GLY HAy 1.0 0.0 3.05 733 677 B 196 LEU H A 31 GLY HAx 1.0 0.0 4.69 734 677 B 196 LEU H A 31 GLY HAy 1.0 0.0 4.69 735 678 B 196 LEU H A 32 GLY HAy 1.0 0.0 5.34 736 678 B 196 LEU H A 32 GLY HAx 1.0 0.0 5.34 737 679 A 33 ARG H A 33 ARG HBy 1.0 0.0 3.19 738 679 A 33 ARG H A 33 ARG HBx 1.0 0.0 3.19 739 680 A 33 ARG H A 33 ARG HD2 1.0 0.0 4.73 740 680 A 33 ARG H A 33 ARG HD3 1.0 0.0 4.73 741 681 B 196 LEU H A 33 ARG HBy 1.0 0.0 4.73 742 681 B 196 LEU H A 33 ARG HBx 1.0 0.0 4.73 743 682 A 34 TRP H A 33 ARG HD2 1.0 0.0 4.88 744 682 A 34 TRP H A 33 ARG HD3 1.0 0.0 4.88 745 683 A 35 LYS H A 35 LYS HGy 1.0 0.0 4.65 746 683 A 35 LYS H A 35 LYS HGx 1.0 0.0 4.65 747 684 A 36 HIS H A 35 LYS HBx 1.0 0.0 4.14 748 684 A 36 HIS H A 35 LYS HBy 1.0 0.0 4.14 749 685 B 194 MET H A 35 LYS HBx 1.0 0.0 4.43 750 685 B 194 MET H A 35 LYS HBy 1.0 0.0 4.43 751 686 A 36 HIS H A 35 LYS HGy 1.0 0.0 4.31 752 686 A 36 HIS H A 35 LYS HGx 1.0 0.0 4.31 753 687 A 36 HIS H A 35 LYS HDx 1.0 0.0 4.69 754 687 A 36 HIS H A 35 LYS HDy 1.0 0.0 4.69 755 688 A 36 HIS H A 36 HIS HBy 1.0 0.0 3.43 756 688 A 36 HIS H A 36 HIS HBx 1.0 0.0 3.43 757 689 A 36 HIS HA A 37 VAL HGy% 1.0 0.0 4.49 758 689 A 36 HIS HA A 37 VAL HGx% 1.0 0.0 4.49 759 690 A 36 HIS HD2 A 36 HIS HBy 1.0 0.0 3.44 760 690 A 36 HIS HD2 A 36 HIS HBx 1.0 0.0 3.44 761 691 A 38 ASN H A 36 HIS HBy 1.0 0.0 5.26 762 691 A 38 ASN H A 36 HIS HBx 1.0 0.0 5.26 763 692 A 37 VAL H A 37 VAL HGy% 1.0 0.0 3.38 764 692 A 37 VAL H A 37 VAL HGx% 1.0 0.0 3.38 765 693 A 37 VAL H A 38 ASN HBy 1.0 0.0 4.28 766 693 A 37 VAL H A 38 ASN HBx 1.0 0.0 4.28 767 694 A 38 ASN H A 37 VAL HGy% 1.0 0.0 3.92 768 694 A 38 ASN H A 37 VAL HGx% 1.0 0.0 3.92 769 695 A 38 ASN HA A 37 VAL HGy% 1.0 0.0 4.26 770 695 A 38 ASN HA A 37 VAL HGx% 1.0 0.0 4.26 771 696 B 193 ASN H A 37 VAL HGy% 1.0 0.0 4.57 772 696 B 193 ASN H A 37 VAL HGx% 1.0 0.0 4.57 773 697 B 193 ASN HA A 37 VAL HGy% 1.0 0.0 3.75 774 697 B 193 ASN HA A 37 VAL HGx% 1.0 0.0 3.75 775 698 B 194 MET H A 37 VAL HGy% 1.0 0.0 3.75 776 698 B 194 MET H A 37 VAL HGx% 1.0 0.0 3.75 777 699 B 194 MET HBy A 37 VAL HGy% 1.0 0.0 4.04 778 699 B 194 MET HBy A 37 VAL HGx% 1.0 0.0 4.04 779 700 A 37 VAL HGx% B 205 PRO HDx 1.0 0.0 5.19 780 700 A 37 VAL HGy% B 205 PRO HDx 1.0 0.0 5.19 781 700 B 205 PRO HDy A 37 VAL HGy% 1.0 0.0 5.19 782 700 A 37 VAL HGx% B 205 PRO HDy 1.0 0.0 5.19 783 701 B 206 ALA H A 37 VAL HGy% 1.0 0.0 4.37 784 701 B 206 ALA H A 37 VAL HGx% 1.0 0.0 4.37 785 702 B 207 VAL H A 37 VAL HGy% 1.0 0.0 3.83 786 702 B 207 VAL H A 37 VAL HGx% 1.0 0.0 3.83 787 703 B 207 VAL HA A 37 VAL HGy% 1.0 0.0 3.47 788 703 B 207 VAL HA A 37 VAL HGx% 1.0 0.0 3.47 789 704 B 208 PHE H A 37 VAL HGy% 1.0 0.0 3.40 790 704 B 208 PHE H A 37 VAL HGx% 1.0 0.0 3.40 791 705 A 38 ASN H A 38 ASN HBy 1.0 0.0 3.36 792 705 A 38 ASN H A 38 ASN HBx 1.0 0.0 3.36 793 706 B 192 ILE H A 38 ASN HBy 1.0 0.0 3.95 794 706 B 192 ILE H A 38 ASN HBx 1.0 0.0 3.95 795 707 A 40 PHE H A 39 HIS HBx 1.0 0.0 4.47 796 707 A 40 PHE H A 39 HIS HBy 1.0 0.0 4.47 797 708 A 40 PHE H A 40 PHE HBy 1.0 0.0 3.54 798 708 A 40 PHE H A 40 PHE HBx 1.0 0.0 3.54 799 709 A 41 ASP H A 40 PHE HBy 1.0 0.0 4.09 800 709 A 41 ASP H A 40 PHE HBx 1.0 0.0 4.09 801 710 A 41 ASP H A 41 ASP HBy 1.0 0.0 3.40 802 710 A 41 ASP H A 41 ASP HBx 1.0 0.0 3.40 803 711 A 42 GLU H A 41 ASP HBy 1.0 0.0 4.35 804 711 A 42 GLU H A 41 ASP HBx 1.0 0.0 4.35 805 712 A 42 GLU H A 42 GLU HGy 1.0 0.0 4.37 806 712 A 42 GLU H A 42 GLU HGx 1.0 0.0 4.37 807 713 A 43 ALA HB% A 44 PRO HDy 1.0 0.0 3.69 808 713 A 43 ALA HB% A 44 PRO HDx 1.0 0.0 3.69 809 714 A 46 GLU H A 46 GLU HG2 1.0 0.0 4.71 810 714 A 46 GLU H A 46 GLU HG3 1.0 0.0 4.71 811 715 B 177 TRP H B 177 TRP HBx 1.0 0.0 3.63 812 715 B 177 TRP H B 177 TRP HBy 1.0 0.0 3.63 813 716 B 179 ILE H B 178 LEU HBx 1.0 0.0 4.42 814 716 B 179 ILE H B 178 LEU HBy 1.0 0.0 4.42 815 717 B 179 ILE H B 179 ILE HB 1.0 0.0 3.61 816 718 B 181 SER H B 181 SER HBy 1.0 0.0 2.90 817 718 B 181 SER H B 181 SER HBx 1.0 0.0 2.90 818 719 B 181 SER H B 181 SER HG 1.0 0.0 3.55 819 720 B 181 SER HA B 181 SER HG 1.0 0.0 3.46 820 721 B 182 ARG H B 182 ARG HGy 1.0 0.0 3.26 821 722 B 182 ARG HA B 182 ARG HGy 1.0 0.0 3.45 822 723 B 182 ARG HGx B 182 ARG HGy 1.0 0.0 3.18 823 724 B 183 VAL H B 182 ARG HGy 1.0 0.0 4.61 824 725 B 183 VAL H B 183 VAL HB 1.0 0.0 2.97 825 726 B 184 TYR H B 184 TYR HBx 1.0 0.0 2.92 826 726 B 184 TYR H B 184 TYR HBy 1.0 0.0 2.92 827 727 B 185 ASP H B 185 ASP HBx 1.0 0.0 3.02 828 727 B 185 ASP H B 185 ASP HBy 1.0 0.0 3.02 829 728 B 186 ASP H B 185 ASP HBx 1.0 0.0 3.71 830 728 B 186 ASP H B 185 ASP HBy 1.0 0.0 3.71 831 729 B 186 ASP H B 186 ASP HBy 1.0 0.0 3.04 832 729 B 186 ASP H B 186 ASP HBx 1.0 0.0 3.04 833 730 B 187 GLY H B 186 ASP HBy 1.0 0.0 3.80 834 730 B 187 GLY H B 186 ASP HBx 1.0 0.0 3.80 835 731 B 188 LYS HA B 211 GLU HBy 1.0 0.0 4.98 836 731 B 188 LYS HA B 211 GLU HBx 1.0 0.0 4.98 837 732 B 188 LYS HD2 B 211 GLU HBy 1.0 0.0 3.68 838 732 B 188 LYS HD3 B 211 GLU HBy 1.0 0.0 3.68 839 732 B 211 GLU HBx B 188 LYS HD2 1.0 0.0 3.68 840 732 B 188 LYS HD3 B 211 GLU HBx 1.0 0.0 3.68 841 733 B 188 LYS HEy B 211 GLU HBy 1.0 0.0 4.14 842 733 B 188 LYS HEx B 211 GLU HBy 1.0 0.0 4.14 843 733 B 211 GLU HBx B 188 LYS HEy 1.0 0.0 4.14 844 733 B 188 LYS HEx B 211 GLU HBx 1.0 0.0 4.14 845 734 B 190 THR H B 190 THR HB 1.0 0.0 3.21 846 735 B 191 TYR H B 190 THR HB 1.0 0.0 3.91 847 736 B 197 THR HG1 B 196 LEU H 1.0 0.0 5.34 848 736 B 196 LEU H B 197 THR HG2% 1.0 0.0 5.34 849 737 B 197 THR H B 197 THR HB 1.0 0.0 3.24 850 738 B 197 THR H B 197 THR HG1 1.0 0.0 3.61 851 738 B 197 THR H B 197 THR HG2% 1.0 0.0 3.61 852 739 B 198 ARG H B 197 THR HB 1.0 0.0 3.92 853 740 B 198 ARG HA B 197 THR HB 1.0 0.0 4.84 854 741 B 199 PHE H B 199 PHE HBx 1.0 0.0 3.49 855 741 B 199 PHE H B 199 PHE HBy 1.0 0.0 3.49 856 742 B 200 PRO HA B 200 PRO HDx 1.0 0.0 3.84 857 742 B 200 PRO HA B 200 PRO HDy 1.0 0.0 3.84 858 743 B 200 PRO HBy B 203 ASN HD2x 1.0 0.0 4.71 859 743 B 200 PRO HBy B 203 ASN HD2y 1.0 0.0 4.71 860 744 B 201 THR H B 200 PRO HDx 1.0 0.0 4.74 861 744 B 201 THR H B 200 PRO HDy 1.0 0.0 4.74 862 745 B 202 GLY H B 201 THR HB 1.0 0.0 4.11 863 746 B 203 ASN H B 201 THR HB 1.0 0.0 4.81 864 747 B 204 PHE H B 201 THR HB 1.0 0.0 5.26 865 748 B 204 PHE HDx B 201 THR HB 1.0 0.0 4.60 866 749 B 202 GLY H B 203 ASN HD2x 1.0 0.0 4.99 867 749 B 202 GLY H B 203 ASN HD2y 1.0 0.0 4.99 868 750 B 203 ASN H B 203 ASN HD2x 1.0 0.0 3.62 869 750 B 203 ASN H B 203 ASN HD2y 1.0 0.0 3.62 870 751 B 203 ASN HA B 203 ASN HD2x 1.0 0.0 3.10 871 751 B 203 ASN HA B 203 ASN HD2y 1.0 0.0 3.10 872 752 B 204 PHE H B 203 ASN HD2x 1.0 0.0 5.44 873 752 B 204 PHE H B 203 ASN HD2y 1.0 0.0 5.44 874 753 B 204 PHE H B 205 PRO HDx 1.0 0.0 4.63 875 753 B 204 PHE H B 205 PRO HDy 1.0 0.0 4.63 876 754 B 204 PHE HA B 205 PRO HDx 1.0 0.0 2.82 877 754 B 204 PHE HA B 205 PRO HDy 1.0 0.0 2.82 878 755 B 206 ALA H B 205 PRO HDx 1.0 0.0 4.96 879 755 B 206 ALA H B 205 PRO HDy 1.0 0.0 4.96 880 756 B 206 ALA H B 206 ALA HB% 1.0 0.0 3.30 881 757 B 206 ALA H B 219 LEU HG 1.0 0.0 5.08 882 758 B 207 VAL H B 206 ALA HB% 1.0 0.0 3.75 883 759 B 207 VAL HA B 206 ALA HB% 1.0 0.0 4.74 884 760 B 211 GLU H B 211 GLU HBy 1.0 0.0 3.41 885 760 B 211 GLU H B 211 GLU HBx 1.0 0.0 3.41 886 761 B 213 GLU H B 211 GLU HBy 1.0 0.0 4.90 887 761 B 213 GLU H B 211 GLU HBx 1.0 0.0 4.90 888 762 B 214 HIS H B 211 GLU HBy 1.0 0.0 5.34 889 762 B 214 HIS H B 211 GLU HBx 1.0 0.0 5.34 890 763 B 213 GLU H B 213 GLU HBx 1.0 0.0 3.13 891 763 B 213 GLU H B 213 GLU HBy 1.0 0.0 3.13 892 764 B 213 GLU H B 213 GLU HGx 1.0 0.0 4.48 893 764 B 213 GLU H B 213 GLU HGy 1.0 0.0 4.48 894 765 B 213 GLU HA B 213 GLU HGx 1.0 0.0 3.23 895 765 B 213 GLU HA B 213 GLU HGy 1.0 0.0 3.23 896 766 B 214 HIS H B 213 GLU HBx 1.0 0.0 3.08 897 766 B 214 HIS H B 213 GLU HBy 1.0 0.0 3.08 898 767 B 214 HIS H B 213 GLU HGx 1.0 0.0 4.59 899 767 B 214 HIS H B 213 GLU HGy 1.0 0.0 4.59 900 768 B 218 PHE H B 219 LEU HG 1.0 0.0 4.75 901 769 B 218 PHE HA B 219 LEU HG 1.0 0.0 4.41 902 770 B 219 LEU H B 219 LEU HG 1.0 0.0 3.32 903 771 B 219 LEU H B 252 ASN HBx 1.0 0.0 3.82 904 771 B 219 LEU H B 252 ASN HBy 1.0 0.0 3.82 905 772 B 219 LEU HA B 219 LEU HG 1.0 0.0 3.43 906 773 B 220 VAL H B 219 LEU HG 1.0 0.0 4.63 907 774 B 219 LEU HG B 221 ASN HD2y 1.0 0.0 3.70 908 774 B 221 ASN HD2x B 219 LEU HG 1.0 0.0 3.70 909 775 B 221 ASN H B 252 ASN HBx 1.0 0.0 3.83 910 775 B 221 ASN H B 252 ASN HBy 1.0 0.0 3.83 911 776 B 222 THR H B 223 THR HB 1.0 0.0 4.99 912 777 B 223 THR HG1 B 222 THR H 1.0 0.0 4.43 913 777 B 222 THR H B 223 THR HG2% 1.0 0.0 4.43 914 778 B 222 THR H B 252 ASN HBx 1.0 0.0 4.07 915 778 B 222 THR H B 252 ASN HBy 1.0 0.0 4.07 916 779 B 222 THR H B 252 ASN HD2y 1.0 0.0 5.34 917 779 B 222 THR H B 252 ASN HD2x 1.0 0.0 5.34 918 780 B 222 THR HG2% B 252 ASN HBx 1.0 0.0 4.77 919 780 B 222 THR HG2% B 252 ASN HBy 1.0 0.0 4.77 920 781 B 222 THR HG2% B 252 ASN HD2y 1.0 0.0 4.28 921 781 B 222 THR HG2% B 252 ASN HD2x 1.0 0.0 4.28 922 782 B 223 THR H B 223 THR HB 1.0 0.0 2.67 923 783 B 223 THR HG1 B 223 THR H 1.0 0.0 2.90 924 783 B 223 THR H B 223 THR HG2% 1.0 0.0 2.90 925 784 B 223 THR HA B 223 THR HB 1.0 0.0 2.61 926 785 B 223 THR HA B 223 THR HG1 1.0 0.0 3.28 927 785 B 223 THR HA B 223 THR HG2% 1.0 0.0 3.28 928 786 B 224 VAL H B 223 THR HB 1.0 0.0 3.84 929 787 B 224 VAL H B 223 THR HG1 1.0 0.0 4.59 930 787 B 224 VAL H B 223 THR HG2% 1.0 0.0 4.59 931 788 B 234 THR H B 242 HIS HBy 1.0 0.0 4.64 932 788 B 234 THR H B 242 HIS HBx 1.0 0.0 4.64 933 789 B 235 TYR HA B 236 PRO HGy 1.0 0.0 5.25 934 789 B 235 TYR HA B 236 PRO HGx 1.0 0.0 5.25 935 790 B 237 PHE H B 236 PRO HBx 1.0 0.0 4.04 936 790 B 237 PHE H B 236 PRO HBy 1.0 0.0 4.04 937 791 B 240 VAL HB B 236 PRO HBx 1.0 0.0 3.83 938 791 B 240 VAL HB B 236 PRO HBy 1.0 0.0 3.83 939 792 B 237 PHE H B 236 PRO HGy 1.0 0.0 4.27 940 792 B 237 PHE H B 236 PRO HGx 1.0 0.0 4.27 941 793 B 240 VAL HB B 236 PRO HGy 1.0 0.0 4.17 942 793 B 240 VAL HB B 236 PRO HGx 1.0 0.0 4.17 943 794 B 237 PHE H B 237 PHE HE% 1.0 0.0 5.34 944 795 B 238 LEU H B 237 PHE HE% 1.0 0.0 4.68 945 796 B 239 VAL H B 237 PHE HE% 1.0 0.0 4.81 946 797 B 240 VAL H B 237 PHE HE% 1.0 0.0 4.71 947 798 B 240 VAL HB B 237 PHE HE% 1.0 0.0 4.51 948 799 B 238 LEU H B 238 LEU HBx 1.0 0.0 2.86 949 799 B 238 LEU H B 238 LEU HBy 1.0 0.0 2.86 950 800 B 238 LEU H B 238 LEU HG 1.0 0.0 3.03 951 801 B 238 LEU H B 239 VAL HB 1.0 0.0 4.81 952 802 B 238 LEU HA B 238 LEU HG 1.0 0.0 3.74 953 803 B 240 VAL H B 238 LEU HBx 1.0 0.0 5.34 954 803 B 240 VAL H B 238 LEU HBy 1.0 0.0 5.34 955 804 B 239 VAL H B 238 LEU HG 1.0 0.0 4.00 956 805 B 239 VAL H B 239 VAL HB 1.0 0.0 2.98 957 806 B 240 VAL H B 239 VAL HB 1.0 0.0 3.96 958 807 B 241 ARG HA B 242 HIS HBy 1.0 0.0 4.56 959 807 B 241 ARG HA B 242 HIS HBx 1.0 0.0 4.56 960 808 B 242 HIS H B 242 HIS HBy 1.0 0.0 2.81 961 808 B 242 HIS H B 242 HIS HBx 1.0 0.0 2.81 962 809 B 243 GLY H B 242 HIS HBy 1.0 0.0 3.42 963 809 B 243 GLY H B 242 HIS HBx 1.0 0.0 3.42 964 810 B 246 VAL H B 246 VAL HB 1.0 0.0 2.81 965 811 B 247 VAL H B 246 VAL HB 1.0 0.0 3.38 966 812 B 249 LEU H B 250 ARG HGx 1.0 0.0 5.12 967 812 B 249 LEU H B 250 ARG HGy 1.0 0.0 5.12 968 813 B 250 ARG H B 250 ARG HGx 1.0 0.0 3.98 969 813 B 250 ARG H B 250 ARG HGy 1.0 0.0 3.98 970 814 B 250 ARG HA B 250 ARG HGx 1.0 0.0 3.23 971 814 B 250 ARG HA B 250 ARG HGy 1.0 0.0 3.23 972 815 B 251 ARG H B 250 ARG HGx 1.0 0.0 4.52 973 815 B 251 ARG H B 250 ARG HGy 1.0 0.0 4.52 974 816 B 255 LYS HDy B 250 ARG HGx 1.0 0.0 3.61 975 816 B 255 LYS HDy B 250 ARG HGy 1.0 0.0 3.61 976 817 B 252 ASN H B 252 ASN HBx 1.0 0.0 3.34 977 817 B 252 ASN H B 252 ASN HBy 1.0 0.0 3.34 978 818 B 252 ASN H B 252 ASN HD2y 1.0 0.0 4.04 979 818 B 252 ASN H B 252 ASN HD2x 1.0 0.0 4.04 980 819 B 252 ASN HD2y B 252 ASN HBx 1.0 0.0 3.09 981 819 B 252 ASN HD2y B 252 ASN HBy 1.0 0.0 3.09 982 819 B 252 ASN HD2x B 252 ASN HBy 1.0 0.0 3.09 983 819 B 252 ASN HD2x B 252 ASN HBx 1.0 0.0 3.09 984 820 B 253 LYS HA B 252 ASN HBx 1.0 0.0 4.97 985 820 B 253 LYS HA B 252 ASN HBy 1.0 0.0 4.97 986 821 A 34 TRP HZ3 B 195 ASP H 1.0 0.0 4.02 987 822 A 36 HIS HA B 194 MET H 1.0 0.0 3.86 988 823 A 37 VAL H B 194 MET H 1.0 0.0 4.14 989 824 B 194 MET H A 35 LYS H 1.0 0.0 3.39 990 825 B 194 MET H A 37 VAL HGx% 1.0 0.0 3.67 991 826 B 194 MET H A 35 LYS HBy 1.0 0.0 4.35 992 827 B 193 ASN HA A 37 VAL HGx% 1.0 0.0 3.71 993 828 B 193 ASN HA A 37 VAL H 1.0 0.0 3.52 994 829 B 193 ASN HA A 36 HIS HA 1.0 0.0 3.30 995 830 B 194 MET HA A 34 TRP HZ3 1.0 0.0 4.00 996 831 B 193 ASN HA A 34 TRP HZ3 1.0 0.0 4.47 997 832 A 34 TRP HZ3 B 193 ASN HBy 1.0 0.0 4.13 998 833 A 34 TRP HZ3 B 193 ASN HBx 1.0 0.0 3.90 999 834 A 34 TRP HA B 195 ASP HBy 1.0 0.0 4.30 1000 834 B 195 ASP HBx A 34 TRP HA 1.0 0.0 4.30 1001 835 A 30 PHE HD% B 195 ASP HBy 1.0 0.0 3.60 1002 835 B 195 ASP HBx A 30 PHE HD% 1.0 0.0 3.60 1003 836 A 34 TRP HZ3 B 195 ASP HBy 1.0 0.0 4.27 1004 836 B 195 ASP HBx A 34 TRP HZ3 1.0 0.0 4.27 1005 837 B 193 ASN HA A 37 VAL H 1.0 0.0 3.18 1006 838 B 194 MET H A 35 LYS H 1.0 0.0 3.29 1007 839 B 193 ASN HA A 36 HIS HA 1.0 0.0 3.14 1008 840 B 193 ASN HA A 37 VAL HGx% 1.0 0.0 3.45 1009 841 A 34 TRP HZ2 B 195 ASP HBy 1.0 0.0 3.99 1010 841 B 195 ASP HBx A 34 TRP HZ2 1.0 0.0 3.99 1011 842 A 34 TRP HD1 B 195 ASP HBy 1.0 0.0 4.01 1012 842 B 195 ASP HBx A 34 TRP HD1 1.0 0.0 4.01 1013 843 A 36 HIS HA B 194 MET H 1.0 0.0 4.23 1014 844 A 37 VAL H B 194 MET H 1.0 0.0 4.12 1015 845 A 35 LYS H B 195 ASP HBy 1.0 0.0 4.00 1016 845 B 195 ASP HBx A 35 LYS H 1.0 0.0 4.00 1017 846 A 33 ARG H B 195 ASP HBy 1.0 0.0 4.13 1018 846 B 195 ASP HBx A 33 ARG H 1.0 0.0 4.13 1019 847 A 34 TRP H B 195 ASP HBy 1.0 0.0 4.21 1020 847 B 195 ASP HBx A 34 TRP H 1.0 0.0 4.21 1021 848 B 194 MET H A 37 VAL HGx% 1.0 0.0 3.65 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 B 192 ILE O A 37 VAL N 1.0 2.8 3.3 2 2 A 35 LYS O B 194 MET N 1.0 2.8 3.3 3 3 B 216 GLU O B 209 ALA N 1.0 2.8 3.3 4 4 B 214 HIS O B 211 GLU N 1.0 2.8 3.3 5 5 B 209 ALA O B 216 GLU N 1.0 2.8 3.3 6 6 B 254 GLN O B 217 ASP N 1.0 2.8 3.3 7 7 B 207 VAL O B 218 PHE N 1.0 2.8 3.3 8 8 B 252 ASN O B 219 LEU N 1.0 2.8 3.3 9 9 B 217 ASP O B 254 GLN N 1.0 2.8 3.3 10 10 B 194 MET O A 35 LYS N 1.0 2.8 3.3 11 11 B 218 PHE O B 206 ALA N 1.0 2.8 3.3 12 12 B 218 PHE O B 207 VAL N 1.0 2.8 3.3 13 13 B 220 VAL O B 223 THR N 1.0 2.8 3.3 14 14 B 221 ASN O B 224 VAL N 1.0 2.8 3.3 15 15 B 243 GLY O B 234 THR N 1.0 2.8 3.3 16 16 B 253 LYS O B 250 ARG N 1.0 2.8 3.3 17 17 B 234 THR O B 243 GLY N 1.0 2.8 3.3 stop_ save_ save_CNS/XPLOR_distance_constraints_7 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_7 _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 37 VAL H B 192 ILE O 1.0 1.8 2.3 2 2 B 192 ILE O A 37 VAL N 1.0 2.8 3.3 3 3 B 194 MET H A 35 LYS O 1.0 1.8 2.3 4 4 A 35 LYS O B 194 MET N 1.0 2.8 3.3 5 5 B 209 ALA H B 216 GLU O 1.0 1.8 2.3 6 6 B 216 GLU O B 209 ALA N 1.0 2.8 3.3 7 7 B 211 GLU H B 214 HIS O 1.0 1.8 2.3 8 8 B 214 HIS O B 211 GLU N 1.0 2.8 3.3 9 9 B 216 GLU H B 209 ALA O 1.0 1.8 2.3 10 10 B 209 ALA O B 216 GLU N 1.0 2.8 3.3 11 11 B 217 ASP H B 254 GLN O 1.0 1.8 2.3 12 12 B 254 GLN O B 217 ASP N 1.0 2.8 3.3 13 13 B 218 PHE H B 207 VAL O 1.0 1.8 2.3 14 14 B 207 VAL O B 218 PHE N 1.0 2.8 3.3 15 15 B 219 LEU H B 252 ASN O 1.0 1.8 2.3 16 16 B 252 ASN O B 219 LEU N 1.0 2.8 3.3 17 17 B 254 GLN H B 217 ASP O 1.0 1.8 2.3 18 18 B 217 ASP O B 254 GLN N 1.0 2.8 3.3 19 19 A 35 LYS H B 194 MET O 1.0 1.8 2.3 20 20 B 194 MET O A 35 LYS N 1.0 2.8 3.3 21 21 B 206 ALA H B 218 PHE O 1.0 1.8 2.3 22 22 B 218 PHE O B 206 ALA N 1.0 2.8 3.3 23 23 B 207 VAL H B 218 PHE O 1.0 1.8 2.3 24 24 B 218 PHE O B 207 VAL N 1.0 2.8 3.3 25 25 B 223 THR H B 220 VAL O 1.0 1.7 2.3 26 26 B 220 VAL O B 223 THR N 1.0 2.8 3.3 27 27 B 224 VAL H B 221 ASN O 1.0 1.8 2.3 28 28 B 221 ASN O B 224 VAL N 1.0 2.8 3.3 29 29 B 234 THR H B 243 GLY O 1.0 1.8 2.3 30 30 B 243 GLY O B 234 THR N 1.0 2.8 3.3 31 31 B 250 ARG H B 253 LYS O 1.0 1.8 2.3 32 32 B 253 LYS O B 250 ARG N 1.0 2.8 3.3 33 33 B 243 GLY H B 234 THR O 1.0 1.8 2.3 34 34 B 234 THR O B 243 GLY N 1.0 2.8 3.3 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 B 187 GLY C B 188 LYS N B 188 LYS CA B 188 LYS C 1.0 -189.956 -46.148 PHI 2 2 B 188 LYS N B 188 LYS CA B 188 LYS C B 189 PHE N 1.0 105.934 172.466 PSI 3 3 B 188 LYS C B 189 PHE N B 189 PHE CA B 189 PHE C 1.0 -125.250 -49.390 PHI 4 4 B 189 PHE N B 189 PHE CA B 189 PHE C B 190 THR N 1.0 113.209 158.629 PSI 5 5 B 190 THR C B 191 TYR N B 191 TYR CA B 191 TYR C 1.0 -157.937 -74.511 PHI 6 6 B 191 TYR N B 191 TYR CA B 191 TYR C B 192 ILE N 1.0 114.782 189.878 PSI 7 7 B 191 TYR C B 192 ILE N B 192 ILE CA B 192 ILE C 1.0 -153.115 -92.795 PHI 8 8 B 192 ILE N B 192 ILE CA B 192 ILE C B 193 ASN N 1.0 119.372 175.366 PSI 9 9 B 192 ILE C B 193 ASN N B 193 ASN CA B 193 ASN C 1.0 -159.089 -113.497 PHI 10 10 B 193 ASN N B 193 ASN CA B 193 ASN C B 194 MET N 1.0 122.183 168.419 PSI 11 11 B 193 ASN C B 194 MET N B 194 MET CA B 194 MET C 1.0 -153.916 -107.744 PHI 12 12 B 194 MET N B 194 MET CA B 194 MET C B 195 ASP N 1.0 121.400 164.724 PSI 13 13 B 194 MET C B 195 ASP N B 195 ASP CA B 195 ASP C 1.0 -138.047 -84.441 PHI 14 14 B 195 ASP N B 195 ASP CA B 195 ASP C B 196 LEU N 1.0 105.692 154.692 PSI 15 15 B 195 ASP C B 196 LEU N B 196 LEU CA B 196 LEU C 1.0 -177.615 -4.281 PHI 16 16 B 196 LEU N B 196 LEU CA B 196 LEU C B 197 THR N 1.0 74.819 175.469 PSI 17 17 B 200 PRO C B 201 THR N B 201 THR CA B 201 THR C 1.0 -85.613 -45.549 PHI 18 18 B 201 THR N B 201 THR CA B 201 THR C B 202 GLY N 1.0 -50.910 5.354 PSI 19 19 B 201 THR C B 202 GLY N B 202 GLY CA B 202 GLY C 1.0 -108.600 -56.520 PHI 20 20 B 202 GLY N B 202 GLY CA B 202 GLY C B 203 ASN N 1.0 -33.829 5.541 PSI 21 21 B 203 ASN C B 204 PHE N B 204 PHE CA B 204 PHE C 1.0 -163.018 -95.256 PHI 22 22 B 204 PHE N B 204 PHE CA B 204 PHE C B 205 PRO N 1.0 74.203 180.853 PSI 23 23 B 205 PRO N B 205 PRO CA B 205 PRO C B 206 ALA N 1.0 126.553 170.413 PSI 24 24 B 205 PRO C B 206 ALA N B 206 ALA CA B 206 ALA C 1.0 -115.399 -67.827 PHI 25 25 B 206 ALA N B 206 ALA CA B 206 ALA C B 207 VAL N 1.0 -49.773 6.127 PSI 26 26 B 206 ALA C B 207 VAL N B 207 VAL CA B 207 VAL C 1.0 -166.883 -128.015 PHI 27 27 B 207 VAL N B 207 VAL CA B 207 VAL C B 208 PHE N 1.0 124.125 162.437 PSI 28 28 B 207 VAL C B 208 PHE N B 208 PHE CA B 208 PHE C 1.0 -144.452 -102.650 PHI 29 29 B 208 PHE N B 208 PHE CA B 208 PHE C B 209 ALA N 1.0 126.069 174.447 PSI 30 30 B 208 PHE C B 209 ALA N B 209 ALA CA B 209 ALA C 1.0 -159.830 -98.004 PHI 31 31 B 209 ALA N B 209 ALA CA B 209 ALA C B 210 ARG N 1.0 130.310 171.898 PSI 32 32 B 209 ALA C B 210 ARG N B 210 ARG CA B 210 ARG C 1.0 -158.196 -110.090 PHI 33 33 B 210 ARG N B 210 ARG CA B 210 ARG C B 211 GLU N 1.0 131.413 167.013 PSI 34 34 B 210 ARG C B 211 GLU N B 211 GLU CA B 211 GLU C 1.0 -151.033 -91.387 PHI 35 35 B 211 GLU N B 211 GLU CA B 211 GLU C B 212 LYS N 1.0 114.192 163.226 PSI 36 36 B 214 HIS C B 215 ALA N B 215 ALA CA B 215 ALA C 1.0 -132.342 -86.762 PHI 37 37 B 215 ALA N B 215 ALA CA B 215 ALA C B 216 GLU N 1.0 107.159 146.225 PSI 38 38 B 215 ALA C B 216 GLU N B 216 GLU CA B 216 GLU C 1.0 -132.770 -79.070 PHI 39 39 B 216 GLU N B 216 GLU CA B 216 GLU C B 217 ASP N 1.0 109.094 159.966 PSI 40 40 B 216 GLU C B 217 ASP N B 217 ASP CA B 217 ASP C 1.0 -131.584 -85.252 PHI 41 41 B 217 ASP N B 217 ASP CA B 217 ASP C B 218 PHE N 1.0 100.352 149.124 PSI 42 42 B 217 ASP C B 218 PHE N B 218 PHE CA B 218 PHE C 1.0 -132.658 -75.934 PHI 43 43 B 218 PHE N B 218 PHE CA B 218 PHE C B 219 LEU N 1.0 107.080 152.176 PSI 44 44 B 218 PHE C B 219 LEU N B 219 LEU CA B 219 LEU C 1.0 -164.025 -111.007 PHI 45 45 B 219 LEU N B 219 LEU CA B 219 LEU C B 220 VAL N 1.0 137.917 185.829 PSI 46 46 B 220 VAL C B 221 ASN N B 221 ASN CA B 221 ASN C 1.0 -76.022 -41.224 PHI 47 47 B 221 ASN N B 221 ASN CA B 221 ASN C B 222 THR N 1.0 -53.128 -11.498 PSI 48 48 B 221 ASN C B 222 THR N B 222 THR CA B 222 THR C 1.0 -86.820 -43.358 PHI 49 49 B 222 THR N B 222 THR CA B 222 THR C B 223 THR N 1.0 -46.192 -8.698 PSI 50 50 B 222 THR C B 223 THR N B 223 THR CA B 223 THR C 1.0 -111.674 -72.932 PHI 51 51 B 223 THR N B 223 THR CA B 223 THR C B 224 VAL N 1.0 -32.639 16.965 PSI 52 52 B 223 THR C B 224 VAL N B 224 VAL CA B 224 VAL C 1.0 -148.995 -60.855 PHI 53 53 B 224 VAL N B 224 VAL CA B 224 VAL C B 225 GLU N 1.0 58.546 144.630 PSI 54 54 B 225 GLU N B 225 GLU CA B 225 GLU C B 226 GLY N 1.0 132.167 174.515 PSI 55 55 B 226 GLY C B 227 ASN N B 227 ASN CA B 227 ASN C 1.0 69.320 105.028 PHI 56 56 B 227 ASN N B 227 ASN CA B 227 ASN C B 228 THR N 1.0 -25.943 25.377 PSI 57 57 B 228 THR C B 229 LEU N B 229 LEU CA B 229 LEU C 1.0 -129.604 -59.200 PHI 58 58 B 229 LEU N B 229 LEU CA B 229 LEU C B 230 ILE N 1.0 97.017 172.719 PSI 59 59 B 230 ILE N B 230 ILE CA B 230 ILE C B 231 VAL N 1.0 126.874 168.436 PSI 60 60 B 230 ILE C B 231 VAL N B 231 VAL CA B 231 VAL C 1.0 -141.515 -86.279 PHI 61 61 B 231 VAL N B 231 VAL CA B 231 VAL C B 232 HIS N 1.0 108.243 173.083 PSI 62 62 B 231 VAL C B 232 HIS N B 232 HIS CA B 232 HIS C 1.0 -151.359 -91.763 PHI 63 63 B 232 HIS N B 232 HIS CA B 232 HIS C B 233 GLY N 1.0 106.223 156.353 PSI 64 64 B 232 HIS C B 233 GLY N B 233 GLY CA B 233 GLY C 1.0 -156.454 -116.062 PHI 65 65 B 233 GLY N B 233 GLY CA B 233 GLY C B 234 THR N 1.0 134.231 175.449 PSI 66 66 B 233 GLY C B 234 THR N B 234 THR CA B 234 THR C 1.0 -158.623 -113.365 PHI 67 67 B 234 THR N B 234 THR CA B 234 THR C B 235 TYR N 1.0 132.434 176.234 PSI 68 68 B 234 THR C B 235 TYR N B 235 TYR CA B 235 TYR C 1.0 -179.355 -91.497 PHI 69 69 B 235 TYR N B 235 TYR CA B 235 TYR C B 236 PRO N 1.0 144.460 179.186 PSI 70 70 B 235 TYR C B 236 PRO N B 236 PRO CA B 236 PRO C 1.0 -126.955 -49.063 PHI 71 71 B 236 PRO N B 236 PRO CA B 236 PRO C B 237 PHE N 1.0 -49.721 12.973 PSI 72 72 B 237 PHE C B 238 LEU N B 238 LEU CA B 238 LEU C 1.0 -72.303 -47.899 PHI 73 73 B 238 LEU N B 238 LEU CA B 238 LEU C B 239 VAL N 1.0 -49.609 -12.927 PSI 74 74 B 238 LEU C B 239 VAL N B 239 VAL CA B 239 VAL C 1.0 -125.665 -76.189 PHI 75 75 B 239 VAL N B 239 VAL CA B 239 VAL C B 240 VAL N 1.0 -11.369 29.855 PSI 76 76 B 239 VAL C B 240 VAL N B 240 VAL CA B 240 VAL C 1.0 -142.688 -71.482 PHI 77 77 B 240 VAL N B 240 VAL CA B 240 VAL C B 241 ARG N 1.0 106.243 187.831 PSI 78 78 B 242 HIS C B 243 GLY N B 243 GLY CA B 243 GLY C 1.0 -160.145 -91.379 PHI 79 79 B 243 GLY N B 243 GLY CA B 243 GLY C B 244 ASP N 1.0 105.299 168.247 PSI 80 80 B 243 GLY C B 244 ASP N B 244 ASP CA B 244 ASP C 1.0 -91.502 -54.442 PHI 81 81 B 244 ASP N B 244 ASP CA B 244 ASP C B 245 ASN N 1.0 -53.189 -16.705 PSI 82 82 B 245 ASN C B 246 VAL N B 246 VAL CA B 246 VAL C 1.0 -137.402 -76.388 PHI 83 83 B 246 VAL N B 246 VAL CA B 246 VAL C B 247 VAL N 1.0 101.132 151.714 PSI 84 84 B 246 VAL C B 247 VAL N B 247 VAL CA B 247 VAL C 1.0 -140.874 -86.096 PHI 85 85 B 247 VAL N B 247 VAL CA B 247 VAL C B 248 GLY N 1.0 113.460 164.964 PSI 86 86 B 247 VAL C B 248 GLY N B 248 GLY CA B 248 GLY C 1.0 -158.633 -111.327 PHI 87 87 B 248 GLY N B 248 GLY CA B 248 GLY C B 249 LEU N 1.0 125.823 172.657 PSI 88 88 B 248 GLY C B 249 LEU N B 249 LEU CA B 249 LEU C 1.0 -139.187 -85.305 PHI 89 89 B 249 LEU N B 249 LEU CA B 249 LEU C B 250 ARG N 1.0 89.622 144.454 PSI 90 90 B 249 LEU C B 250 ARG N B 250 ARG CA B 250 ARG C 1.0 -150.550 -94.330 PHI 91 91 B 250 ARG N B 250 ARG CA B 250 ARG C B 251 ARG N 1.0 85.174 143.922 PSI 92 92 B 250 ARG C B 251 ARG N B 251 ARG CA B 251 ARG C 1.0 7.048 132.846 PHI 93 93 B 251 ARG N B 251 ARG CA B 251 ARG C B 252 ASN N 1.0 -175.539 -83.453 PSI 94 94 B 252 ASN C B 253 LYS N B 253 LYS CA B 253 LYS C 1.0 -142.505 -73.957 PHI 95 95 B 253 LYS N B 253 LYS CA B 253 LYS C B 254 GLN N 1.0 105.041 155.451 PSI 96 96 B 253 LYS C B 254 GLN N B 254 GLN CA B 254 GLN C 1.0 -140.456 -79.568 PHI 97 97 B 254 GLN N B 254 GLN CA B 254 GLN C B 255 LYS N 1.0 102.361 146.867 PSI 98 98 B 254 GLN C B 255 LYS N B 255 LYS CA B 255 LYS C 1.0 -123.856 -83.172 PHI stop_ save_ save_CNS/XPLOR_dihedral_6 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_6 _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 B 187 GLY C B 188 LYS N B 188 LYS CA B 188 LYS C 1.0 -190.0 -46.2 PHI 2 2 B 188 LYS N B 188 LYS CA B 188 LYS C B 189 PHE N 1.0 105.9 172.5 PSI 3 3 B 188 LYS C B 189 PHE N B 189 PHE CA B 189 PHE C 1.0 -125.2 -49.4 PHI 4 4 B 189 PHE N B 189 PHE CA B 189 PHE C B 190 THR N 1.0 113.2 158.6 PSI 5 5 B 190 THR C B 191 TYR N B 191 TYR CA B 191 TYR C 1.0 -157.9 -74.5 PHI 6 6 B 191 TYR N B 191 TYR CA B 191 TYR C B 192 ILE N 1.0 114.8 189.8 PSI 7 7 B 191 TYR C B 192 ILE N B 192 ILE CA B 192 ILE C 1.0 -153.2 -92.8 PHI 8 8 B 192 ILE N B 192 ILE CA B 192 ILE C B 193 ASN N 1.0 119.4 175.4 PSI 9 9 B 192 ILE C B 193 ASN N B 193 ASN CA B 193 ASN C 1.0 -159.1 -113.5 PHI 10 10 B 193 ASN N B 193 ASN CA B 193 ASN C B 194 MET N 1.0 122.2 168.4 PSI 11 11 B 193 ASN C B 194 MET N B 194 MET CA B 194 MET C 1.0 -153.9 -107.7 PHI 12 12 B 194 MET N B 194 MET CA B 194 MET C B 195 ASP N 1.0 121.4 164.8 PSI 13 13 B 194 MET C B 195 ASP N B 195 ASP CA B 195 ASP C 1.0 -138.0 -84.4 PHI 14 14 B 195 ASP N B 195 ASP CA B 195 ASP C B 196 LEU N 1.0 105.7 154.7 PSI 15 15 B 195 ASP C B 196 LEU N B 196 LEU CA B 196 LEU C 1.0 -177.6 -4.2 PHI 16 16 B 196 LEU N B 196 LEU CA B 196 LEU C B 197 THR N 1.0 74.8 175.4 PSI 17 17 B 200 PRO C B 201 THR N B 201 THR CA B 201 THR C 1.0 -85.6 -45.6 PHI 18 18 B 201 THR N B 201 THR CA B 201 THR C B 202 GLY N 1.0 -50.9 5.3 PSI 19 19 B 201 THR C B 202 GLY N B 202 GLY CA B 202 GLY C 1.0 -108.6 -56.6 PHI 20 20 B 202 GLY N B 202 GLY CA B 202 GLY C B 203 ASN N 1.0 -33.8 5.6 PSI 21 21 B 203 ASN C B 204 PHE N B 204 PHE CA B 204 PHE C 1.0 -163.0 -95.2 PHI 22 22 B 204 PHE N B 204 PHE CA B 204 PHE C B 205 PRO N 1.0 74.2 180.8 PSI 23 23 B 205 PRO N B 205 PRO CA B 205 PRO C B 206 ALA N 1.0 126.6 170.4 PSI 24 24 B 205 PRO C B 206 ALA N B 206 ALA CA B 206 ALA C 1.0 -115.4 -67.8 PHI 25 25 B 206 ALA N B 206 ALA CA B 206 ALA C B 207 VAL N 1.0 -49.8 6.2 PSI 26 26 B 206 ALA C B 207 VAL N B 207 VAL CA B 207 VAL C 1.0 -166.8 -128.0 PHI 27 27 B 207 VAL N B 207 VAL CA B 207 VAL C B 208 PHE N 1.0 124.1 162.5 PSI 28 28 B 207 VAL C B 208 PHE N B 208 PHE CA B 208 PHE C 1.0 -144.5 -102.7 PHI 29 29 B 208 PHE N B 208 PHE CA B 208 PHE C B 209 ALA N 1.0 126.1 174.5 PSI 30 30 B 208 PHE C B 209 ALA N B 209 ALA CA B 209 ALA C 1.0 -159.8 -98.0 PHI 31 31 B 209 ALA N B 209 ALA CA B 209 ALA C B 210 ARG N 1.0 130.3 171.9 PSI 32 32 B 209 ALA C B 210 ARG N B 210 ARG CA B 210 ARG C 1.0 -158.2 -110.0 PHI 33 33 B 210 ARG N B 210 ARG CA B 210 ARG C B 211 GLU N 1.0 131.4 167.0 PSI 34 34 B 210 ARG C B 211 GLU N B 211 GLU CA B 211 GLU C 1.0 -151.0 -91.4 PHI 35 35 B 211 GLU N B 211 GLU CA B 211 GLU C B 212 LYS N 1.0 114.2 163.2 PSI 36 36 B 214 HIS C B 215 ALA N B 215 ALA CA B 215 ALA C 1.0 -132.4 -86.8 PHI 37 37 B 215 ALA N B 215 ALA CA B 215 ALA C B 216 GLU N 1.0 107.2 146.2 PSI 38 38 B 215 ALA C B 216 GLU N B 216 GLU CA B 216 GLU C 1.0 -132.7 -79.1 PHI 39 39 B 216 GLU N B 216 GLU CA B 216 GLU C B 217 ASP N 1.0 109.1 159.9 PSI 40 40 B 216 GLU C B 217 ASP N B 217 ASP CA B 217 ASP C 1.0 -131.6 -85.2 PHI 41 41 B 217 ASP N B 217 ASP CA B 217 ASP C B 218 PHE N 1.0 100.3 149.1 PSI 42 42 B 217 ASP C B 218 PHE N B 218 PHE CA B 218 PHE C 1.0 -132.7 -75.9 PHI 43 43 B 218 PHE N B 218 PHE CA B 218 PHE C B 219 LEU N 1.0 107.1 152.1 PSI 44 44 B 218 PHE C B 219 LEU N B 219 LEU CA B 219 LEU C 1.0 -164.0 -111.0 PHI 45 45 B 219 LEU N B 219 LEU CA B 219 LEU C B 220 VAL N 1.0 137.9 185.9 PSI 46 46 B 220 VAL C B 221 ASN N B 221 ASN CA B 221 ASN C 1.0 -76.0 -41.2 PHI 47 47 B 221 ASN N B 221 ASN CA B 221 ASN C B 222 THR N 1.0 -53.1 -11.5 PSI 48 48 B 221 ASN C B 222 THR N B 222 THR CA B 222 THR C 1.0 -86.8 -43.4 PHI 49 49 B 222 THR N B 222 THR CA B 222 THR C B 223 THR N 1.0 -46.1 -8.7 PSI 50 50 B 222 THR C B 223 THR N B 223 THR CA B 223 THR C 1.0 -111.7 -72.9 PHI 51 51 B 223 THR N B 223 THR CA B 223 THR C B 224 VAL N 1.0 -32.6 17.0 PSI 52 52 B 223 THR C B 224 VAL N B 224 VAL CA B 224 VAL C 1.0 -149.0 -60.8 PHI 53 53 B 224 VAL N B 224 VAL CA B 224 VAL C B 225 GLU N 1.0 58.6 144.6 PSI 54 54 B 225 GLU N B 225 GLU CA B 225 GLU C B 226 GLY N 1.0 132.1 174.5 PSI 55 55 B 226 GLY C B 227 ASN N B 227 ASN CA B 227 ASN C 1.0 69.3 105.1 PHI 56 56 B 227 ASN N B 227 ASN CA B 227 ASN C B 228 THR N 1.0 -26.0 25.4 PSI 57 57 B 228 THR C B 229 LEU N B 229 LEU CA B 229 LEU C 1.0 -129.6 -59.2 PHI 58 58 B 229 LEU N B 229 LEU CA B 229 LEU C B 230 ILE N 1.0 97.0 172.8 PSI 59 59 B 230 ILE N B 230 ILE CA B 230 ILE C B 231 VAL N 1.0 126.9 168.5 PSI 60 60 B 230 ILE C B 231 VAL N B 231 VAL CA B 231 VAL C 1.0 -141.5 -86.3 PHI 61 61 B 231 VAL N B 231 VAL CA B 231 VAL C B 232 HIS N 1.0 108.3 173.1 PSI 62 62 B 231 VAL C B 232 HIS N B 232 HIS CA B 232 HIS C 1.0 -151.4 -91.8 PHI 63 63 B 232 HIS N B 232 HIS CA B 232 HIS C B 233 GLY N 1.0 106.2 156.4 PSI 64 64 B 232 HIS C B 233 GLY N B 233 GLY CA B 233 GLY C 1.0 -156.5 -116.1 PHI 65 65 B 233 GLY N B 233 GLY CA B 233 GLY C B 234 THR N 1.0 134.2 175.4 PSI 66 66 B 233 GLY C B 234 THR N B 234 THR CA B 234 THR C 1.0 -158.6 -113.4 PHI 67 67 B 234 THR N B 234 THR CA B 234 THR C B 235 TYR N 1.0 132.4 176.2 PSI 68 68 B 234 THR C B 235 TYR N B 235 TYR CA B 235 TYR C 1.0 -179.3 -91.5 PHI 69 69 B 235 TYR N B 235 TYR CA B 235 TYR C B 236 PRO N 1.0 144.4 179.2 PSI 70 70 B 235 TYR C B 236 PRO N B 236 PRO CA B 236 PRO C 1.0 -126.9 -49.1 PHI 71 71 B 236 PRO N B 236 PRO CA B 236 PRO C B 237 PHE N 1.0 -49.7 12.9 PSI 72 72 B 237 PHE C B 238 LEU N B 238 LEU CA B 238 LEU C 1.0 -72.3 -47.9 PHI 73 73 B 238 LEU N B 238 LEU CA B 238 LEU C B 239 VAL N 1.0 -49.6 -13.0 PSI 74 74 B 238 LEU C B 239 VAL N B 239 VAL CA B 239 VAL C 1.0 -125.6 -76.2 PHI 75 75 B 239 VAL N B 239 VAL CA B 239 VAL C B 240 VAL N 1.0 -11.4 29.8 PSI 76 76 B 239 VAL C B 240 VAL N B 240 VAL CA B 240 VAL C 1.0 -142.7 -71.5 PHI 77 77 B 240 VAL N B 240 VAL CA B 240 VAL C B 241 ARG N 1.0 106.2 187.8 PSI 78 78 B 242 HIS C B 243 GLY N B 243 GLY CA B 243 GLY C 1.0 -160.2 -91.4 PHI 79 79 B 243 GLY N B 243 GLY CA B 243 GLY C B 244 ASP N 1.0 105.3 168.3 PSI 80 80 B 243 GLY C B 244 ASP N B 244 ASP CA B 244 ASP C 1.0 -91.5 -54.5 PHI 81 81 B 244 ASP N B 244 ASP CA B 244 ASP C B 245 ASN N 1.0 -53.1 -16.7 PSI 82 82 B 245 ASN C B 246 VAL N B 246 VAL CA B 246 VAL C 1.0 -137.4 -76.4 PHI 83 83 B 246 VAL N B 246 VAL CA B 246 VAL C B 247 VAL N 1.0 101.1 151.7 PSI 84 84 B 246 VAL C B 247 VAL N B 247 VAL CA B 247 VAL C 1.0 -140.9 -86.1 PHI 85 85 B 247 VAL N B 247 VAL CA B 247 VAL C B 248 GLY N 1.0 113.4 165.0 PSI 86 86 B 247 VAL C B 248 GLY N B 248 GLY CA B 248 GLY C 1.0 -158.7 -111.3 PHI 87 87 B 248 GLY N B 248 GLY CA B 248 GLY C B 249 LEU N 1.0 125.8 172.6 PSI 88 88 B 248 GLY C B 249 LEU N B 249 LEU CA B 249 LEU C 1.0 -139.1 -85.3 PHI 89 89 B 249 LEU N B 249 LEU CA B 249 LEU C B 250 ARG N 1.0 89.6 144.4 PSI 90 90 B 249 LEU C B 250 ARG N B 250 ARG CA B 250 ARG C 1.0 -150.5 -94.3 PHI 91 91 B 250 ARG N B 250 ARG CA B 250 ARG C B 251 ARG N 1.0 85.1 143.9 PSI 92 92 B 250 ARG C B 251 ARG N B 251 ARG CA B 251 ARG C 1.0 7.0 132.8 PHI 93 93 B 251 ARG N B 251 ARG CA B 251 ARG C B 252 ASN N 1.0 -175.5 -83.5 PSI 94 94 B 252 ASN C B 253 LYS N B 253 LYS CA B 253 LYS C 1.0 -142.5 -73.9 PHI 95 95 B 253 LYS N B 253 LYS CA B 253 LYS C B 254 GLN N 1.0 105.0 155.4 PSI 96 96 B 253 LYS C B 254 GLN N B 254 GLN CA B 254 GLN C 1.0 -140.4 -79.6 PHI 97 97 B 254 GLN N B 254 GLN CA B 254 GLN C B 255 LYS N 1.0 102.3 146.9 PSI 98 98 B 254 GLN C B 255 LYS N B 255 LYS CA B 255 LYS C 1.0 -123.8 -83.2 PHI stop_ save_