data_17543 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17543 _Entry.PDB_ID 2LB1 save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 17543 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 GLY H H 280 8.122 8.122 8.539 -0.417 17543 2 1 1 . 1 1 3 3 PRO HA H 281 3.960 3.960 4.645 -0.685 17543 3 1 1 . 1 1 4 4 LEU HA H 282 4.301 4.301 4.385 -0.084 17543 4 1 1 . 1 1 4 4 LEU H H 282 7.607 7.607 8.032 -0.425 17543 5 1 1 . 1 1 5 5 PRO HA H 283 4.499 4.499 4.547 -0.048 17543 6 1 1 . 1 1 6 6 PRO HA H 284 4.249 4.249 4.376 -0.127 17543 7 1 1 . 1 1 7 7 GLY H H 285 8.834 8.834 8.662 0.172 17543 8 1 1 . 1 1 8 8 TRP HA H 286 5.823 5.823 4.654 1.169 17543 9 1 1 . 1 1 8 8 TRP H H 286 7.512 7.512 7.689 -0.177 17543 10 1 1 . 1 1 9 9 GLU HA H 287 4.565 4.565 4.585 -0.020 17543 11 1 1 . 1 1 9 9 GLU H H 287 9.279 9.279 7.994 1.285 17543 12 1 1 . 1 1 10 10 VAL HA H 288 4.342 4.342 3.712 0.630 17543 13 1 1 . 1 1 10 10 VAL H H 288 8.343 8.343 8.486 -0.143 17543 14 1 1 . 1 1 11 11 ARG HA H 289 4.246 4.246 4.351 -0.105 17543 15 1 1 . 1 1 11 11 ARG H H 289 8.146 8.146 7.447 0.699 17543 16 1 1 . 1 1 12 12 SER HA H 290 5.389 5.389 4.965 0.424 17543 17 1 1 . 1 1 12 12 SER H H 290 7.932 7.932 8.322 -0.390 17543 18 1 1 . 1 1 13 13 THR HA H 291 4.539 4.539 4.676 -0.137 17543 19 1 1 . 1 1 13 13 THR H H 291 9.241 9.241 8.609 0.632 17543 20 1 1 . 1 1 14 14 VAL HA H 292 3.754 3.754 3.895 -0.141 17543 21 1 1 . 1 1 14 14 VAL H H 292 8.922 8.922 8.603 0.319 17543 22 1 1 . 1 1 15 15 SER HA H 293 4.232 4.232 4.328 -0.096 17543 23 1 1 . 1 1 15 15 SER H H 293 8.371 8.371 7.996 0.375 17543 24 1 1 . 1 1 16 16 GLY H H 294 7.875 7.875 8.215 -0.340 17543 25 1 1 . 1 1 17 17 ARG HA H 295 4.220 4.220 4.867 -0.647 17543 26 1 1 . 1 1 17 17 ARG H H 295 7.416 7.416 7.586 -0.170 17543 27 1 1 . 1 1 18 18 ILE HA H 296 4.406 4.406 4.311 0.095 17543 28 1 1 . 1 1 18 18 ILE H H 296 8.385 8.385 8.949 -0.564 17543 29 1 1 . 1 1 19 19 TYR HA H 297 4.679 4.679 4.851 -0.172 17543 30 1 1 . 1 1 19 19 TYR H H 297 8.638 8.638 7.725 0.913 17543 31 1 1 . 1 1 20 20 PHE HA H 298 4.965 4.965 4.459 0.506 17543 32 1 1 . 1 1 20 20 PHE H H 298 8.897 8.897 8.756 0.141 17543 33 1 1 . 1 1 21 21 VAL HA H 299 4.105 4.105 4.598 -0.493 17543 34 1 1 . 1 1 21 21 VAL H H 299 9.228 9.228 8.167 1.061 17543 35 1 1 . 1 1 22 22 ASP HA H 300 3.312 3.312 4.871 -1.559 17543 36 1 1 . 1 1 22 22 ASP H H 300 7.999 7.999 8.207 -0.208 17543 37 1 1 . 1 1 23 23 HIS HA H 301 4.136 4.136 4.412 -0.276 17543 38 1 1 . 1 1 23 23 HIS H H 301 8.519 8.519 8.047 0.472 17543 39 1 1 . 1 1 24 24 ASN HA H 302 4.180 4.180 4.669 -0.489 17543 40 1 1 . 1 1 24 24 ASN H H 302 8.259 8.259 8.560 -0.301 17543 41 1 1 . 1 1 25 25 ASN HA H 303 4.411 4.411 4.675 -0.264 17543 42 1 1 . 1 1 25 25 ASN H H 303 6.616 6.616 8.693 -2.077 17543 43 1 1 . 1 1 26 26 ARG HA H 304 1.995 1.995 4.214 -2.219 17543 44 1 1 . 1 1 26 26 ARG H H 304 7.958 7.958 7.824 0.134 17543 45 1 1 . 1 1 27 27 THR HA H 305 4.531 4.531 4.580 -0.049 17543 46 1 1 . 1 1 27 27 THR H H 305 6.815 6.815 7.521 -0.706 17543 47 1 1 . 1 1 28 28 THR HA H 306 5.280 5.280 5.207 0.073 17543 48 1 1 . 1 1 28 28 THR H H 306 7.982 7.982 8.260 -0.278 17543 49 1 1 . 1 1 29 29 GLN HA H 307 4.654 4.654 4.616 0.038 17543 50 1 1 . 1 1 29 29 GLN H H 307 8.973 8.973 8.333 0.640 17543 51 1 1 . 1 1 30 30 PHE HA H 308 4.887 4.887 4.764 0.123 17543 52 1 1 . 1 1 30 30 PHE H H 308 9.263 9.263 9.084 0.179 17543 53 1 1 . 1 1 31 31 THR HA H 309 4.123 4.123 4.389 -0.266 17543 54 1 1 . 1 1 31 31 THR H H 309 7.231 7.231 8.086 -0.855 17543 55 1 1 . 1 1 32 32 ASP HA H 310 2.514 2.514 5.481 -2.967 17543 56 1 1 . 1 1 32 32 ASP H H 310 8.346 8.346 8.788 -0.442 17543 57 1 1 . 1 1 33 33 PRO HA H 311 3.696 3.696 4.460 -0.764 17543 58 1 1 . 1 1 34 34 ARG HA H 312 3.675 3.675 4.423 -0.748 17543 59 1 1 . 1 1 34 34 ARG H H 312 8.394 8.394 8.324 0.070 17543 60 1 2 . 1 1 2 2 GLY H H 280 8.122 8.122 8.383 -0.261 17543 61 1 2 . 1 1 3 3 PRO HA H 281 3.960 3.960 4.574 -0.614 17543 62 1 2 . 1 1 4 4 LEU HA H 282 4.301 4.301 4.439 -0.138 17543 63 1 2 . 1 1 4 4 LEU H H 282 7.607 7.607 8.140 -0.533 17543 64 1 2 . 1 1 5 5 PRO HA H 283 4.499 4.499 4.577 -0.078 17543 65 1 2 . 1 1 6 6 PRO HA H 284 4.249 4.249 4.270 -0.021 17543 66 1 2 . 1 1 7 7 GLY H H 285 8.834 8.834 8.619 0.215 17543 67 1 2 . 1 1 8 8 TRP HA H 286 5.823 5.823 4.654 1.169 17543 68 1 2 . 1 1 8 8 TRP H H 286 7.512 7.512 8.118 -0.606 17543 69 1 2 . 1 1 9 9 GLU HA H 287 4.565 4.565 4.468 0.097 17543 70 1 2 . 1 1 9 9 GLU H H 287 9.279 9.279 8.131 1.148 17543 71 1 2 . 1 1 10 10 VAL HA H 288 4.342 4.342 3.525 0.817 17543 72 1 2 . 1 1 10 10 VAL H H 288 8.343 8.343 8.474 -0.131 17543 73 1 2 . 1 1 11 11 ARG HA H 289 4.246 4.246 4.460 -0.214 17543 74 1 2 . 1 1 11 11 ARG H H 289 8.146 8.146 7.416 0.730 17543 75 1 2 . 1 1 12 12 SER HA H 290 5.389 5.389 4.713 0.676 17543 76 1 2 . 1 1 12 12 SER H H 290 7.932 7.932 8.507 -0.575 17543 77 1 2 . 1 1 13 13 THR HA H 291 4.539 4.539 4.825 -0.286 17543 78 1 2 . 1 1 13 13 THR H H 291 9.241 9.241 8.189 1.052 17543 79 1 2 . 1 1 14 14 VAL HA H 292 3.754 3.754 3.704 0.050 17543 80 1 2 . 1 1 14 14 VAL H H 292 8.922 8.922 8.689 0.233 17543 81 1 2 . 1 1 15 15 SER HA H 293 4.232 4.232 4.269 -0.037 17543 82 1 2 . 1 1 15 15 SER H H 293 8.371 8.371 7.763 0.608 17543 83 1 2 . 1 1 16 16 GLY H H 294 7.875 7.875 8.190 -0.315 17543 84 1 2 . 1 1 17 17 ARG HA H 295 4.220 4.220 4.805 -0.585 17543 85 1 2 . 1 1 17 17 ARG H H 295 7.416 7.416 7.525 -0.109 17543 86 1 2 . 1 1 18 18 ILE HA H 296 4.406 4.406 4.309 0.097 17543 87 1 2 . 1 1 18 18 ILE H H 296 8.385 8.385 8.673 -0.288 17543 88 1 2 . 1 1 19 19 TYR HA H 297 4.679 4.679 5.655 -0.976 17543 89 1 2 . 1 1 19 19 TYR H H 297 8.638 8.638 7.963 0.675 17543 90 1 2 . 1 1 20 20 PHE HA H 298 4.965 4.965 4.550 0.415 17543 91 1 2 . 1 1 20 20 PHE H H 298 8.897 8.897 8.929 -0.032 17543 92 1 2 . 1 1 21 21 VAL HA H 299 4.105 4.105 4.754 -0.649 17543 93 1 2 . 1 1 21 21 VAL H H 299 9.228 9.228 8.372 0.856 17543 94 1 2 . 1 1 22 22 ASP HA H 300 3.312 3.312 4.671 -1.359 17543 95 1 2 . 1 1 22 22 ASP H H 300 7.999 7.999 7.925 0.074 17543 96 1 2 . 1 1 23 23 HIS HA H 301 4.136 4.136 4.424 -0.288 17543 97 1 2 . 1 1 23 23 HIS H H 301 8.519 8.519 8.352 0.167 17543 98 1 2 . 1 1 24 24 ASN HA H 302 4.180 4.180 4.667 -0.487 17543 99 1 2 . 1 1 24 24 ASN H H 302 8.259 8.259 8.332 -0.073 17543 100 1 2 . 1 1 25 25 ASN HA H 303 4.411 4.411 4.713 -0.302 17543 101 1 2 . 1 1 25 25 ASN H H 303 6.616 6.616 8.548 -1.932 17543 102 1 2 . 1 1 26 26 ARG HA H 304 1.995 1.995 4.101 -2.106 17543 103 1 2 . 1 1 26 26 ARG H H 304 7.958 7.958 7.733 0.225 17543 104 1 2 . 1 1 27 27 THR HA H 305 4.531 4.531 4.583 -0.052 17543 105 1 2 . 1 1 27 27 THR H H 305 6.815 6.815 7.900 -1.085 17543 106 1 2 . 1 1 28 28 THR HA H 306 5.280 5.280 5.316 -0.036 17543 107 1 2 . 1 1 28 28 THR H H 306 7.982 7.982 8.351 -0.369 17543 108 1 2 . 1 1 29 29 GLN HA H 307 4.654 4.654 4.658 -0.004 17543 109 1 2 . 1 1 29 29 GLN H H 307 8.973 8.973 8.087 0.886 17543 110 1 2 . 1 1 30 30 PHE HA H 308 4.887 4.887 5.147 -0.260 17543 111 1 2 . 1 1 30 30 PHE H H 308 9.263 9.263 8.873 0.390 17543 112 1 2 . 1 1 31 31 THR HA H 309 4.123 4.123 4.530 -0.407 17543 113 1 2 . 1 1 31 31 THR H H 309 7.231 7.231 7.721 -0.490 17543 114 1 2 . 1 1 32 32 ASP HA H 310 2.514 2.514 5.279 -2.765 17543 115 1 2 . 1 1 32 32 ASP H H 310 8.346 8.346 8.332 0.014 17543 116 1 2 . 1 1 33 33 PRO HA H 311 3.696 3.696 4.514 -0.818 17543 117 1 2 . 1 1 34 34 ARG HA H 312 3.675 3.675 4.228 -0.553 17543 118 1 2 . 1 1 34 34 ARG H H 312 8.394 8.394 8.600 -0.206 17543 119 1 3 . 1 1 2 2 GLY H H 280 8.122 8.122 8.184 -0.062 17543 120 1 3 . 1 1 3 3 PRO HA H 281 3.960 3.960 4.574 -0.614 17543 121 1 3 . 1 1 4 4 LEU HA H 282 4.301 4.301 4.332 -0.031 17543 122 1 3 . 1 1 4 4 LEU H H 282 7.607 7.607 8.025 -0.418 17543 123 1 3 . 1 1 5 5 PRO HA H 283 4.499 4.499 4.588 -0.089 17543 124 1 3 . 1 1 6 6 PRO HA H 284 4.249 4.249 4.317 -0.068 17543 125 1 3 . 1 1 7 7 GLY H H 285 8.834 8.834 8.593 0.241 17543 126 1 3 . 1 1 8 8 TRP HA H 286 5.823 5.823 4.628 1.195 17543 127 1 3 . 1 1 8 8 TRP H H 286 7.512 7.512 7.859 -0.347 17543 128 1 3 . 1 1 9 9 GLU HA H 287 4.565 4.565 4.494 0.071 17543 129 1 3 . 1 1 9 9 GLU H H 287 9.279 9.279 7.931 1.348 17543 130 1 3 . 1 1 10 10 VAL HA H 288 4.342 4.342 3.711 0.631 17543 131 1 3 . 1 1 10 10 VAL H H 288 8.343 8.343 8.489 -0.146 17543 132 1 3 . 1 1 11 11 ARG HA H 289 4.246 4.246 4.457 -0.211 17543 133 1 3 . 1 1 11 11 ARG H H 289 8.146 8.146 7.602 0.544 17543 134 1 3 . 1 1 12 12 SER HA H 290 5.389 5.389 4.968 0.421 17543 135 1 3 . 1 1 12 12 SER H H 290 7.932 7.932 8.127 -0.195 17543 136 1 3 . 1 1 13 13 THR HA H 291 4.539 4.539 4.633 -0.094 17543 137 1 3 . 1 1 13 13 THR H H 291 9.241 9.241 8.461 0.780 17543 138 1 3 . 1 1 14 14 VAL HA H 292 3.754 3.754 3.847 -0.093 17543 139 1 3 . 1 1 14 14 VAL H H 292 8.922 8.922 8.686 0.236 17543 140 1 3 . 1 1 15 15 SER HA H 293 4.232 4.232 4.319 -0.087 17543 141 1 3 . 1 1 15 15 SER H H 293 8.371 8.371 8.130 0.241 17543 142 1 3 . 1 1 16 16 GLY H H 294 7.875 7.875 8.068 -0.193 17543 143 1 3 . 1 1 17 17 ARG HA H 295 4.220 4.220 4.746 -0.526 17543 144 1 3 . 1 1 17 17 ARG H H 295 7.416 7.416 7.649 -0.233 17543 145 1 3 . 1 1 18 18 ILE HA H 296 4.406 4.406 4.361 0.045 17543 146 1 3 . 1 1 18 18 ILE H H 296 8.385 8.385 8.692 -0.307 17543 147 1 3 . 1 1 19 19 TYR HA H 297 4.679 4.679 4.884 -0.205 17543 148 1 3 . 1 1 19 19 TYR H H 297 8.638 8.638 7.796 0.842 17543 149 1 3 . 1 1 20 20 PHE HA H 298 4.965 4.965 4.461 0.504 17543 150 1 3 . 1 1 20 20 PHE H H 298 8.897 8.897 8.796 0.101 17543 151 1 3 . 1 1 21 21 VAL HA H 299 4.105 4.105 4.656 -0.551 17543 152 1 3 . 1 1 21 21 VAL H H 299 9.228 9.228 8.189 1.039 17543 153 1 3 . 1 1 22 22 ASP HA H 300 3.312 3.312 4.825 -1.513 17543 154 1 3 . 1 1 22 22 ASP H H 300 7.999 7.999 8.050 -0.051 17543 155 1 3 . 1 1 23 23 HIS HA H 301 4.136 4.136 4.407 -0.271 17543 156 1 3 . 1 1 23 23 HIS H H 301 8.519 8.519 7.893 0.626 17543 157 1 3 . 1 1 24 24 ASN HA H 302 4.180 4.180 4.695 -0.515 17543 158 1 3 . 1 1 24 24 ASN H H 302 8.259 8.259 8.146 0.113 17543 159 1 3 . 1 1 25 25 ASN HA H 303 4.411 4.411 4.694 -0.283 17543 160 1 3 . 1 1 25 25 ASN H H 303 6.616 6.616 8.710 -2.094 17543 161 1 3 . 1 1 26 26 ARG HA H 304 1.995 1.995 4.139 -2.144 17543 162 1 3 . 1 1 26 26 ARG H H 304 7.958 7.958 7.819 0.139 17543 163 1 3 . 1 1 27 27 THR HA H 305 4.531 4.531 4.650 -0.119 17543 164 1 3 . 1 1 27 27 THR H H 305 6.815 6.815 7.809 -0.994 17543 165 1 3 . 1 1 28 28 THR HA H 306 5.280 5.280 5.311 -0.031 17543 166 1 3 . 1 1 28 28 THR H H 306 7.982 7.982 8.262 -0.280 17543 167 1 3 . 1 1 29 29 GLN HA H 307 4.654 4.654 4.695 -0.041 17543 168 1 3 . 1 1 29 29 GLN H H 307 8.973 8.973 8.127 0.846 17543 169 1 3 . 1 1 30 30 PHE HA H 308 4.887 4.887 4.747 0.140 17543 170 1 3 . 1 1 30 30 PHE H H 308 9.263 9.263 8.900 0.363 17543 171 1 3 . 1 1 31 31 THR HA H 309 4.123 4.123 4.433 -0.310 17543 172 1 3 . 1 1 31 31 THR H H 309 7.231 7.231 7.899 -0.668 17543 173 1 3 . 1 1 32 32 ASP HA H 310 2.514 2.514 5.448 -2.934 17543 174 1 3 . 1 1 32 32 ASP H H 310 8.346 8.346 8.722 -0.376 17543 175 1 3 . 1 1 33 33 PRO HA H 311 3.696 3.696 4.446 -0.750 17543 176 1 3 . 1 1 34 34 ARG HA H 312 3.675 3.675 4.356 -0.681 17543 177 1 3 . 1 1 34 34 ARG H H 312 8.394 8.394 8.727 -0.333 17543 178 1 4 . 1 1 2 2 GLY H H 280 8.122 8.122 8.482 -0.360 17543 179 1 4 . 1 1 3 3 PRO HA H 281 3.960 3.960 4.653 -0.693 17543 180 1 4 . 1 1 4 4 LEU HA H 282 4.301 4.301 4.489 -0.188 17543 181 1 4 . 1 1 4 4 LEU H H 282 7.607 7.607 8.065 -0.458 17543 182 1 4 . 1 1 5 5 PRO HA H 283 4.499 4.499 4.543 -0.044 17543 183 1 4 . 1 1 6 6 PRO HA H 284 4.249 4.249 4.270 -0.021 17543 184 1 4 . 1 1 7 7 GLY H H 285 8.834 8.834 8.651 0.183 17543 185 1 4 . 1 1 8 8 TRP HA H 286 5.823 5.823 4.651 1.172 17543 186 1 4 . 1 1 8 8 TRP H H 286 7.512 7.512 7.983 -0.471 17543 187 1 4 . 1 1 9 9 GLU HA H 287 4.565 4.565 4.413 0.151 17543 188 1 4 . 1 1 9 9 GLU H H 287 9.279 9.279 8.101 1.178 17543 189 1 4 . 1 1 10 10 VAL HA H 288 4.342 4.342 3.536 0.806 17543 190 1 4 . 1 1 10 10 VAL H H 288 8.343 8.343 8.594 -0.251 17543 191 1 4 . 1 1 11 11 ARG HA H 289 4.246 4.246 4.460 -0.214 17543 192 1 4 . 1 1 11 11 ARG H H 289 8.146 8.146 7.559 0.587 17543 193 1 4 . 1 1 12 12 SER HA H 290 5.389 5.389 4.794 0.595 17543 194 1 4 . 1 1 12 12 SER H H 290 7.932 7.932 8.091 -0.159 17543 195 1 4 . 1 1 13 13 THR HA H 291 4.539 4.539 4.784 -0.245 17543 196 1 4 . 1 1 13 13 THR H H 291 9.241 9.241 8.314 0.927 17543 197 1 4 . 1 1 14 14 VAL HA H 292 3.754 3.754 3.776 -0.022 17543 198 1 4 . 1 1 14 14 VAL H H 292 8.922 8.922 8.554 0.368 17543 199 1 4 . 1 1 15 15 SER HA H 293 4.232 4.232 4.247 -0.015 17543 200 1 4 . 1 1 15 15 SER H H 293 8.371 8.371 7.813 0.558 17543 201 1 4 . 1 1 16 16 GLY H H 294 7.875 7.875 7.834 0.041 17543 202 1 4 . 1 1 17 17 ARG HA H 295 4.220 4.220 4.646 -0.426 17543 203 1 4 . 1 1 17 17 ARG H H 295 7.416 7.416 7.695 -0.279 17543 204 1 4 . 1 1 18 18 ILE HA H 296 4.406 4.406 4.321 0.085 17543 205 1 4 . 1 1 18 18 ILE H H 296 8.385 8.385 8.472 -0.087 17543 206 1 4 . 1 1 19 19 TYR HA H 297 4.679 4.679 5.163 -0.484 17543 207 1 4 . 1 1 19 19 TYR H H 297 8.638 8.638 7.869 0.769 17543 208 1 4 . 1 1 20 20 PHE HA H 298 4.965 4.965 4.463 0.502 17543 209 1 4 . 1 1 20 20 PHE H H 298 8.897 8.897 8.921 -0.024 17543 210 1 4 . 1 1 21 21 VAL HA H 299 4.105 4.105 4.412 -0.307 17543 211 1 4 . 1 1 21 21 VAL H H 299 9.228 9.228 8.345 0.883 17543 212 1 4 . 1 1 22 22 ASP HA H 300 3.312 3.312 4.863 -1.551 17543 213 1 4 . 1 1 22 22 ASP H H 300 7.999 7.999 7.828 0.171 17543 214 1 4 . 1 1 23 23 HIS HA H 301 4.136 4.136 4.368 -0.232 17543 215 1 4 . 1 1 23 23 HIS H H 301 8.519 8.519 8.204 0.315 17543 216 1 4 . 1 1 24 24 ASN HA H 302 4.180 4.180 4.642 -0.462 17543 217 1 4 . 1 1 24 24 ASN H H 302 8.259 8.259 8.366 -0.107 17543 218 1 4 . 1 1 25 25 ASN HA H 303 4.411 4.411 4.664 -0.253 17543 219 1 4 . 1 1 25 25 ASN H H 303 6.616 6.616 8.612 -1.996 17543 220 1 4 . 1 1 26 26 ARG HA H 304 1.995 1.995 4.221 -2.226 17543 221 1 4 . 1 1 26 26 ARG H H 304 7.958 7.958 7.698 0.260 17543 222 1 4 . 1 1 27 27 THR HA H 305 4.531 4.531 4.556 -0.025 17543 223 1 4 . 1 1 27 27 THR H H 305 6.815 6.815 7.448 -0.633 17543 224 1 4 . 1 1 28 28 THR HA H 306 5.280 5.280 5.138 0.142 17543 225 1 4 . 1 1 28 28 THR H H 306 7.982 7.982 8.379 -0.397 17543 226 1 4 . 1 1 29 29 GLN HA H 307 4.654 4.654 4.593 0.061 17543 227 1 4 . 1 1 29 29 GLN H H 307 8.973 8.973 8.609 0.364 17543 228 1 4 . 1 1 30 30 PHE HA H 308 4.887 4.887 4.691 0.196 17543 229 1 4 . 1 1 30 30 PHE H H 308 9.263 9.263 8.990 0.273 17543 230 1 4 . 1 1 31 31 THR HA H 309 4.123 4.123 4.425 -0.302 17543 231 1 4 . 1 1 31 31 THR H H 309 7.231 7.231 7.826 -0.595 17543 232 1 4 . 1 1 32 32 ASP HA H 310 2.514 2.514 5.462 -2.948 17543 233 1 4 . 1 1 32 32 ASP H H 310 8.346 8.346 8.442 -0.096 17543 234 1 4 . 1 1 33 33 PRO HA H 311 3.696 3.696 4.591 -0.895 17543 235 1 4 . 1 1 34 34 ARG HA H 312 3.675 3.675 4.217 -0.542 17543 236 1 4 . 1 1 34 34 ARG H H 312 8.394 8.394 8.213 0.181 17543 237 1 5 . 1 1 2 2 GLY H H 280 8.122 8.122 8.366 -0.244 17543 238 1 5 . 1 1 3 3 PRO HA H 281 3.960 3.960 4.610 -0.650 17543 239 1 5 . 1 1 4 4 LEU HA H 282 4.301 4.301 4.570 -0.269 17543 240 1 5 . 1 1 4 4 LEU H H 282 7.607 7.607 8.118 -0.511 17543 241 1 5 . 1 1 5 5 PRO HA H 283 4.499 4.499 4.460 0.039 17543 242 1 5 . 1 1 6 6 PRO HA H 284 4.249 4.249 4.439 -0.190 17543 243 1 5 . 1 1 7 7 GLY H H 285 8.834 8.834 8.632 0.202 17543 244 1 5 . 1 1 8 8 TRP HA H 286 5.823 5.823 4.612 1.211 17543 245 1 5 . 1 1 8 8 TRP H H 286 7.512 7.512 7.675 -0.163 17543 246 1 5 . 1 1 9 9 GLU HA H 287 4.565 4.565 4.422 0.143 17543 247 1 5 . 1 1 9 9 GLU H H 287 9.279 9.279 7.988 1.291 17543 248 1 5 . 1 1 10 10 VAL HA H 288 4.342 4.342 3.635 0.707 17543 249 1 5 . 1 1 10 10 VAL H H 288 8.343 8.343 8.589 -0.246 17543 250 1 5 . 1 1 11 11 ARG HA H 289 4.246 4.246 4.466 -0.220 17543 251 1 5 . 1 1 11 11 ARG H H 289 8.146 8.146 7.477 0.669 17543 252 1 5 . 1 1 12 12 SER HA H 290 5.389 5.389 4.714 0.675 17543 253 1 5 . 1 1 12 12 SER H H 290 7.932 7.932 8.248 -0.316 17543 254 1 5 . 1 1 13 13 THR HA H 291 4.539 4.539 4.706 -0.167 17543 255 1 5 . 1 1 13 13 THR H H 291 9.241 9.241 8.231 1.010 17543 256 1 5 . 1 1 14 14 VAL HA H 292 3.754 3.754 3.890 -0.136 17543 257 1 5 . 1 1 14 14 VAL H H 292 8.922 8.922 8.545 0.377 17543 258 1 5 . 1 1 15 15 SER HA H 293 4.232 4.232 4.278 -0.046 17543 259 1 5 . 1 1 15 15 SER H H 293 8.371 8.371 7.983 0.388 17543 260 1 5 . 1 1 16 16 GLY H H 294 7.875 7.875 7.848 0.027 17543 261 1 5 . 1 1 17 17 ARG HA H 295 4.220 4.220 4.692 -0.472 17543 262 1 5 . 1 1 17 17 ARG H H 295 7.416 7.416 7.688 -0.272 17543 263 1 5 . 1 1 18 18 ILE HA H 296 4.406 4.406 4.312 0.094 17543 264 1 5 . 1 1 18 18 ILE H H 296 8.385 8.385 8.610 -0.225 17543 265 1 5 . 1 1 19 19 TYR HA H 297 4.679 4.679 5.024 -0.345 17543 266 1 5 . 1 1 19 19 TYR H H 297 8.638 8.638 7.942 0.696 17543 267 1 5 . 1 1 20 20 PHE HA H 298 4.965 4.965 4.397 0.568 17543 268 1 5 . 1 1 20 20 PHE H H 298 8.897 8.897 8.680 0.217 17543 269 1 5 . 1 1 21 21 VAL HA H 299 4.105 4.105 4.406 -0.301 17543 270 1 5 . 1 1 21 21 VAL H H 299 9.228 9.228 8.251 0.977 17543 271 1 5 . 1 1 22 22 ASP HA H 300 3.312 3.312 4.891 -1.579 17543 272 1 5 . 1 1 22 22 ASP H H 300 7.999 7.999 8.096 -0.097 17543 273 1 5 . 1 1 23 23 HIS HA H 301 4.136 4.136 4.455 -0.319 17543 274 1 5 . 1 1 23 23 HIS H H 301 8.519 8.519 8.004 0.515 17543 275 1 5 . 1 1 24 24 ASN HA H 302 4.180 4.180 4.667 -0.487 17543 276 1 5 . 1 1 24 24 ASN H H 302 8.259 8.259 8.569 -0.310 17543 277 1 5 . 1 1 25 25 ASN HA H 303 4.411 4.411 4.667 -0.256 17543 278 1 5 . 1 1 25 25 ASN H H 303 6.616 6.616 8.626 -2.010 17543 279 1 5 . 1 1 26 26 ARG HA H 304 1.995 1.995 4.190 -2.195 17543 280 1 5 . 1 1 26 26 ARG H H 304 7.958 7.958 7.723 0.235 17543 281 1 5 . 1 1 27 27 THR HA H 305 4.531 4.531 4.550 -0.019 17543 282 1 5 . 1 1 27 27 THR H H 305 6.815 6.815 7.790 -0.975 17543 283 1 5 . 1 1 28 28 THR HA H 306 5.280 5.280 5.245 0.035 17543 284 1 5 . 1 1 28 28 THR H H 306 7.982 7.982 8.350 -0.368 17543 285 1 5 . 1 1 29 29 GLN HA H 307 4.654 4.654 4.632 0.022 17543 286 1 5 . 1 1 29 29 GLN H H 307 8.973 8.973 8.017 0.956 17543 287 1 5 . 1 1 30 30 PHE HA H 308 4.887 4.887 4.850 0.037 17543 288 1 5 . 1 1 30 30 PHE H H 308 9.263 9.263 8.880 0.383 17543 289 1 5 . 1 1 31 31 THR HA H 309 4.123 4.123 4.447 -0.324 17543 290 1 5 . 1 1 31 31 THR H H 309 7.231 7.231 7.872 -0.641 17543 291 1 5 . 1 1 32 32 ASP HA H 310 2.514 2.514 5.360 -2.846 17543 292 1 5 . 1 1 32 32 ASP H H 310 8.346 8.346 8.648 -0.302 17543 293 1 5 . 1 1 33 33 PRO HA H 311 3.696 3.696 4.467 -0.771 17543 294 1 5 . 1 1 34 34 ARG HA H 312 3.675 3.675 4.266 -0.591 17543 295 1 5 . 1 1 34 34 ARG H H 312 8.394 8.394 7.843 0.551 17543 296 1 6 . 1 1 2 2 GLY H H 280 8.122 8.122 8.189 -0.067 17543 297 1 6 . 1 1 3 3 PRO HA H 281 3.960 3.960 4.617 -0.657 17543 298 1 6 . 1 1 4 4 LEU HA H 282 4.301 4.301 4.411 -0.110 17543 299 1 6 . 1 1 4 4 LEU H H 282 7.607 7.607 8.023 -0.416 17543 300 1 6 . 1 1 5 5 PRO HA H 283 4.499 4.499 4.447 0.052 17543 301 1 6 . 1 1 6 6 PRO HA H 284 4.249 4.249 4.377 -0.128 17543 302 1 6 . 1 1 7 7 GLY H H 285 8.834 8.834 8.590 0.244 17543 303 1 6 . 1 1 8 8 TRP HA H 286 5.823 5.823 4.616 1.207 17543 304 1 6 . 1 1 8 8 TRP H H 286 7.512 7.512 7.683 -0.171 17543 305 1 6 . 1 1 9 9 GLU HA H 287 4.565 4.565 4.494 0.071 17543 306 1 6 . 1 1 9 9 GLU H H 287 9.279 9.279 7.958 1.321 17543 307 1 6 . 1 1 10 10 VAL HA H 288 4.342 4.342 3.799 0.543 17543 308 1 6 . 1 1 10 10 VAL H H 288 8.343 8.343 8.482 -0.139 17543 309 1 6 . 1 1 11 11 ARG HA H 289 4.246 4.246 4.433 -0.187 17543 310 1 6 . 1 1 11 11 ARG H H 289 8.146 8.146 7.581 0.565 17543 311 1 6 . 1 1 12 12 SER HA H 290 5.389 5.389 5.093 0.296 17543 312 1 6 . 1 1 12 12 SER H H 290 7.932 7.932 8.129 -0.197 17543 313 1 6 . 1 1 13 13 THR HA H 291 4.539 4.539 4.734 -0.195 17543 314 1 6 . 1 1 13 13 THR H H 291 9.241 9.241 8.411 0.830 17543 315 1 6 . 1 1 14 14 VAL HA H 292 3.754 3.754 3.883 -0.129 17543 316 1 6 . 1 1 14 14 VAL H H 292 8.922 8.922 8.473 0.449 17543 317 1 6 . 1 1 15 15 SER HA H 293 4.232 4.232 4.291 -0.059 17543 318 1 6 . 1 1 15 15 SER H H 293 8.371 8.371 8.057 0.314 17543 319 1 6 . 1 1 16 16 GLY H H 294 7.875 7.875 8.036 -0.161 17543 320 1 6 . 1 1 17 17 ARG HA H 295 4.220 4.220 4.759 -0.539 17543 321 1 6 . 1 1 17 17 ARG H H 295 7.416 7.416 7.644 -0.228 17543 322 1 6 . 1 1 18 18 ILE HA H 296 4.406 4.406 4.344 0.062 17543 323 1 6 . 1 1 18 18 ILE H H 296 8.385 8.385 8.740 -0.355 17543 324 1 6 . 1 1 19 19 TYR HA H 297 4.679 4.679 4.989 -0.310 17543 325 1 6 . 1 1 19 19 TYR H H 297 8.638 8.638 7.827 0.811 17543 326 1 6 . 1 1 20 20 PHE HA H 298 4.965 4.965 4.419 0.546 17543 327 1 6 . 1 1 20 20 PHE H H 298 8.897 8.897 8.658 0.239 17543 328 1 6 . 1 1 21 21 VAL HA H 299 4.105 4.105 4.587 -0.482 17543 329 1 6 . 1 1 21 21 VAL H H 299 9.228 9.228 8.202 1.026 17543 330 1 6 . 1 1 22 22 ASP HA H 300 3.312 3.312 4.901 -1.589 17543 331 1 6 . 1 1 22 22 ASP H H 300 7.999 7.999 8.193 -0.194 17543 332 1 6 . 1 1 23 23 HIS HA H 301 4.136 4.136 4.441 -0.305 17543 333 1 6 . 1 1 23 23 HIS H H 301 8.519 8.519 7.991 0.528 17543 334 1 6 . 1 1 24 24 ASN HA H 302 4.180 4.180 4.675 -0.495 17543 335 1 6 . 1 1 24 24 ASN H H 302 8.259 8.259 8.595 -0.336 17543 336 1 6 . 1 1 25 25 ASN HA H 303 4.411 4.411 4.718 -0.307 17543 337 1 6 . 1 1 25 25 ASN H H 303 6.616 6.616 8.384 -1.768 17543 338 1 6 . 1 1 26 26 ARG HA H 304 1.995 1.995 4.147 -2.152 17543 339 1 6 . 1 1 26 26 ARG H H 304 7.958 7.958 7.763 0.195 17543 340 1 6 . 1 1 27 27 THR HA H 305 4.531 4.531 4.628 -0.097 17543 341 1 6 . 1 1 27 27 THR H H 305 6.815 6.815 7.960 -1.145 17543 342 1 6 . 1 1 28 28 THR HA H 306 5.280 5.280 5.190 0.090 17543 343 1 6 . 1 1 28 28 THR H H 306 7.982 7.982 8.149 -0.167 17543 344 1 6 . 1 1 29 29 GLN HA H 307 4.654 4.654 4.649 0.005 17543 345 1 6 . 1 1 29 29 GLN H H 307 8.973 8.973 8.132 0.841 17543 346 1 6 . 1 1 30 30 PHE HA H 308 4.887 4.887 4.623 0.264 17543 347 1 6 . 1 1 30 30 PHE H H 308 9.263 9.263 8.973 0.290 17543 348 1 6 . 1 1 31 31 THR HA H 309 4.123 4.123 4.430 -0.307 17543 349 1 6 . 1 1 31 31 THR H H 309 7.231 7.231 7.878 -0.647 17543 350 1 6 . 1 1 32 32 ASP HA H 310 2.514 2.514 5.401 -2.887 17543 351 1 6 . 1 1 32 32 ASP H H 310 8.346 8.346 8.782 -0.436 17543 352 1 6 . 1 1 33 33 PRO HA H 311 3.696 3.696 4.613 -0.917 17543 353 1 6 . 1 1 34 34 ARG HA H 312 3.675 3.675 4.312 -0.637 17543 354 1 6 . 1 1 34 34 ARG H H 312 8.394 8.394 8.888 -0.494 17543 355 1 7 . 1 1 2 2 GLY H H 280 8.122 8.122 8.176 -0.054 17543 356 1 7 . 1 1 3 3 PRO HA H 281 3.960 3.960 4.644 -0.684 17543 357 1 7 . 1 1 4 4 LEU HA H 282 4.301 4.301 4.347 -0.046 17543 358 1 7 . 1 1 4 4 LEU H H 282 7.607 7.607 7.958 -0.351 17543 359 1 7 . 1 1 5 5 PRO HA H 283 4.499 4.499 4.716 -0.217 17543 360 1 7 . 1 1 6 6 PRO HA H 284 4.249 4.249 4.245 0.004 17543 361 1 7 . 1 1 7 7 GLY H H 285 8.834 8.834 8.575 0.259 17543 362 1 7 . 1 1 8 8 TRP HA H 286 5.823 5.823 4.638 1.185 17543 363 1 7 . 1 1 8 8 TRP H H 286 7.512 7.512 8.189 -0.677 17543 364 1 7 . 1 1 9 9 GLU HA H 287 4.565 4.565 4.480 0.085 17543 365 1 7 . 1 1 9 9 GLU H H 287 9.279 9.279 7.879 1.400 17543 366 1 7 . 1 1 10 10 VAL HA H 288 4.342 4.342 3.710 0.632 17543 367 1 7 . 1 1 10 10 VAL H H 288 8.343 8.343 8.481 -0.138 17543 368 1 7 . 1 1 11 11 ARG HA H 289 4.246 4.246 4.454 -0.208 17543 369 1 7 . 1 1 11 11 ARG H H 289 8.146 8.146 7.517 0.629 17543 370 1 7 . 1 1 12 12 SER HA H 290 5.389 5.389 4.824 0.565 17543 371 1 7 . 1 1 12 12 SER H H 290 7.932 7.932 8.136 -0.204 17543 372 1 7 . 1 1 13 13 THR HA H 291 4.539 4.539 4.732 -0.193 17543 373 1 7 . 1 1 13 13 THR H H 291 9.241 9.241 8.211 1.030 17543 374 1 7 . 1 1 14 14 VAL HA H 292 3.754 3.754 3.911 -0.157 17543 375 1 7 . 1 1 14 14 VAL H H 292 8.922 8.922 8.603 0.319 17543 376 1 7 . 1 1 15 15 SER HA H 293 4.232 4.232 4.347 -0.115 17543 377 1 7 . 1 1 15 15 SER H H 293 8.371 8.371 7.787 0.584 17543 378 1 7 . 1 1 16 16 GLY H H 294 7.875 7.875 8.221 -0.346 17543 379 1 7 . 1 1 17 17 ARG HA H 295 4.220 4.220 4.865 -0.645 17543 380 1 7 . 1 1 17 17 ARG H H 295 7.416 7.416 7.590 -0.174 17543 381 1 7 . 1 1 18 18 ILE HA H 296 4.406 4.406 4.385 0.021 17543 382 1 7 . 1 1 18 18 ILE H H 296 8.385 8.385 8.895 -0.510 17543 383 1 7 . 1 1 19 19 TYR HA H 297 4.679 4.679 4.911 -0.232 17543 384 1 7 . 1 1 19 19 TYR H H 297 8.638 8.638 7.827 0.811 17543 385 1 7 . 1 1 20 20 PHE HA H 298 4.965 4.965 4.416 0.549 17543 386 1 7 . 1 1 20 20 PHE H H 298 8.897 8.897 8.589 0.308 17543 387 1 7 . 1 1 21 21 VAL HA H 299 4.105 4.105 4.585 -0.480 17543 388 1 7 . 1 1 21 21 VAL H H 299 9.228 9.228 8.136 1.092 17543 389 1 7 . 1 1 22 22 ASP HA H 300 3.312 3.312 4.957 -1.645 17543 390 1 7 . 1 1 22 22 ASP H H 300 7.999 7.999 8.184 -0.185 17543 391 1 7 . 1 1 23 23 HIS HA H 301 4.136 4.136 4.299 -0.163 17543 392 1 7 . 1 1 23 23 HIS H H 301 8.519 8.519 8.237 0.282 17543 393 1 7 . 1 1 24 24 ASN HA H 302 4.180 4.180 4.680 -0.500 17543 394 1 7 . 1 1 24 24 ASN H H 302 8.259 8.259 8.504 -0.245 17543 395 1 7 . 1 1 25 25 ASN HA H 303 4.411 4.411 4.773 -0.362 17543 396 1 7 . 1 1 25 25 ASN H H 303 6.616 6.616 8.728 -2.112 17543 397 1 7 . 1 1 26 26 ARG HA H 304 1.995 1.995 4.109 -2.114 17543 398 1 7 . 1 1 26 26 ARG H H 304 7.958 7.958 7.838 0.120 17543 399 1 7 . 1 1 27 27 THR HA H 305 4.531 4.531 4.415 0.116 17543 400 1 7 . 1 1 27 27 THR H H 305 6.815 6.815 8.008 -1.193 17543 401 1 7 . 1 1 28 28 THR HA H 306 5.280 5.280 5.299 -0.019 17543 402 1 7 . 1 1 28 28 THR H H 306 7.982 7.982 8.374 -0.392 17543 403 1 7 . 1 1 29 29 GLN HA H 307 4.654 4.654 4.600 0.054 17543 404 1 7 . 1 1 29 29 GLN H H 307 8.973 8.973 8.003 0.970 17543 405 1 7 . 1 1 30 30 PHE HA H 308 4.887 4.887 4.763 0.124 17543 406 1 7 . 1 1 30 30 PHE H H 308 9.263 9.263 8.885 0.378 17543 407 1 7 . 1 1 31 31 THR HA H 309 4.123 4.123 4.362 -0.239 17543 408 1 7 . 1 1 31 31 THR H H 309 7.231 7.231 7.697 -0.466 17543 409 1 7 . 1 1 32 32 ASP HA H 310 2.514 2.514 5.464 -2.950 17543 410 1 7 . 1 1 32 32 ASP H H 310 8.346 8.346 8.571 -0.225 17543 411 1 7 . 1 1 33 33 PRO HA H 311 3.696 3.696 4.481 -0.785 17543 412 1 7 . 1 1 34 34 ARG HA H 312 3.675 3.675 4.183 -0.508 17543 413 1 7 . 1 1 34 34 ARG H H 312 8.394 8.394 8.313 0.081 17543 414 1 8 . 1 1 2 2 GLY H H 280 8.122 8.122 8.398 -0.276 17543 415 1 8 . 1 1 3 3 PRO HA H 281 3.960 3.960 4.669 -0.709 17543 416 1 8 . 1 1 4 4 LEU HA H 282 4.301 4.301 4.465 -0.164 17543 417 1 8 . 1 1 4 4 LEU H H 282 7.607 7.607 8.034 -0.427 17543 418 1 8 . 1 1 5 5 PRO HA H 283 4.499 4.499 4.635 -0.136 17543 419 1 8 . 1 1 6 6 PRO HA H 284 4.249 4.249 4.293 -0.044 17543 420 1 8 . 1 1 7 7 GLY H H 285 8.834 8.834 8.673 0.161 17543 421 1 8 . 1 1 8 8 TRP HA H 286 5.823 5.823 4.614 1.209 17543 422 1 8 . 1 1 8 8 TRP H H 286 7.512 7.512 7.816 -0.304 17543 423 1 8 . 1 1 9 9 GLU HA H 287 4.565 4.565 4.451 0.114 17543 424 1 8 . 1 1 9 9 GLU H H 287 9.279 9.279 8.057 1.222 17543 425 1 8 . 1 1 10 10 VAL HA H 288 4.342 4.342 3.629 0.713 17543 426 1 8 . 1 1 10 10 VAL H H 288 8.343 8.343 8.590 -0.247 17543 427 1 8 . 1 1 11 11 ARG HA H 289 4.246 4.246 4.500 -0.254 17543 428 1 8 . 1 1 11 11 ARG H H 289 8.146 8.146 7.627 0.519 17543 429 1 8 . 1 1 12 12 SER HA H 290 5.389 5.389 4.873 0.516 17543 430 1 8 . 1 1 12 12 SER H H 290 7.932 7.932 8.213 -0.281 17543 431 1 8 . 1 1 13 13 THR HA H 291 4.539 4.539 4.693 -0.154 17543 432 1 8 . 1 1 13 13 THR H H 291 9.241 9.241 8.405 0.836 17543 433 1 8 . 1 1 14 14 VAL HA H 292 3.754 3.754 3.860 -0.106 17543 434 1 8 . 1 1 14 14 VAL H H 292 8.922 8.922 8.669 0.253 17543 435 1 8 . 1 1 15 15 SER HA H 293 4.232 4.232 4.281 -0.049 17543 436 1 8 . 1 1 15 15 SER H H 293 8.371 8.371 8.061 0.310 17543 437 1 8 . 1 1 16 16 GLY H H 294 7.875 7.875 8.117 -0.242 17543 438 1 8 . 1 1 17 17 ARG HA H 295 4.220 4.220 4.764 -0.544 17543 439 1 8 . 1 1 17 17 ARG H H 295 7.416 7.416 7.618 -0.202 17543 440 1 8 . 1 1 18 18 ILE HA H 296 4.406 4.406 4.329 0.077 17543 441 1 8 . 1 1 18 18 ILE H H 296 8.385 8.385 8.860 -0.475 17543 442 1 8 . 1 1 19 19 TYR HA H 297 4.679 4.679 5.088 -0.409 17543 443 1 8 . 1 1 19 19 TYR H H 297 8.638 8.638 7.915 0.723 17543 444 1 8 . 1 1 20 20 PHE HA H 298 4.965 4.965 4.502 0.463 17543 445 1 8 . 1 1 20 20 PHE H H 298 8.897 8.897 8.548 0.349 17543 446 1 8 . 1 1 21 21 VAL HA H 299 4.105 4.105 4.653 -0.548 17543 447 1 8 . 1 1 21 21 VAL H H 299 9.228 9.228 8.301 0.927 17543 448 1 8 . 1 1 22 22 ASP HA H 300 3.312 3.312 4.809 -1.497 17543 449 1 8 . 1 1 22 22 ASP H H 300 7.999 7.999 7.849 0.150 17543 450 1 8 . 1 1 23 23 HIS HA H 301 4.136 4.136 4.440 -0.304 17543 451 1 8 . 1 1 23 23 HIS H H 301 8.519 8.519 8.114 0.405 17543 452 1 8 . 1 1 24 24 ASN HA H 302 4.180 4.180 4.687 -0.507 17543 453 1 8 . 1 1 24 24 ASN H H 302 8.259 8.259 8.107 0.152 17543 454 1 8 . 1 1 25 25 ASN HA H 303 4.411 4.411 4.721 -0.310 17543 455 1 8 . 1 1 25 25 ASN H H 303 6.616 6.616 8.842 -2.226 17543 456 1 8 . 1 1 26 26 ARG HA H 304 1.995 1.995 4.049 -2.054 17543 457 1 8 . 1 1 26 26 ARG H H 304 7.958 7.958 7.789 0.169 17543 458 1 8 . 1 1 27 27 THR HA H 305 4.531 4.531 4.564 -0.033 17543 459 1 8 . 1 1 27 27 THR H H 305 6.815 6.815 7.924 -1.109 17543 460 1 8 . 1 1 28 28 THR HA H 306 5.280 5.280 5.193 0.087 17543 461 1 8 . 1 1 28 28 THR H H 306 7.982 7.982 8.170 -0.188 17543 462 1 8 . 1 1 29 29 GLN HA H 307 4.654 4.654 4.620 0.034 17543 463 1 8 . 1 1 29 29 GLN H H 307 8.973 8.973 8.485 0.488 17543 464 1 8 . 1 1 30 30 PHE HA H 308 4.887 4.887 4.756 0.131 17543 465 1 8 . 1 1 30 30 PHE H H 308 9.263 9.263 9.018 0.245 17543 466 1 8 . 1 1 31 31 THR HA H 309 4.123 4.123 4.405 -0.282 17543 467 1 8 . 1 1 31 31 THR H H 309 7.231 7.231 7.888 -0.657 17543 468 1 8 . 1 1 32 32 ASP HA H 310 2.514 2.514 5.315 -2.801 17543 469 1 8 . 1 1 32 32 ASP H H 310 8.346 8.346 8.468 -0.122 17543 470 1 8 . 1 1 33 33 PRO HA H 311 3.696 3.696 4.534 -0.838 17543 471 1 8 . 1 1 34 34 ARG HA H 312 3.675 3.675 4.388 -0.713 17543 472 1 8 . 1 1 34 34 ARG H H 312 8.394 8.394 8.570 -0.176 17543 473 1 9 . 1 1 2 2 GLY H H 280 8.122 8.122 8.140 -0.018 17543 474 1 9 . 1 1 3 3 PRO HA H 281 3.960 3.960 4.679 -0.719 17543 475 1 9 . 1 1 4 4 LEU HA H 282 4.301 4.301 4.589 -0.288 17543 476 1 9 . 1 1 4 4 LEU H H 282 7.607 7.607 8.081 -0.474 17543 477 1 9 . 1 1 5 5 PRO HA H 283 4.499 4.499 4.589 -0.090 17543 478 1 9 . 1 1 6 6 PRO HA H 284 4.249 4.249 4.373 -0.124 17543 479 1 9 . 1 1 7 7 GLY H H 285 8.834 8.834 8.569 0.265 17543 480 1 9 . 1 1 8 8 TRP HA H 286 5.823 5.823 4.625 1.198 17543 481 1 9 . 1 1 8 8 TRP H H 286 7.512 7.512 8.007 -0.495 17543 482 1 9 . 1 1 9 9 GLU HA H 287 4.565 4.565 4.507 0.058 17543 483 1 9 . 1 1 9 9 GLU H H 287 9.279 9.279 8.022 1.257 17543 484 1 9 . 1 1 10 10 VAL HA H 288 4.342 4.342 3.447 0.895 17543 485 1 9 . 1 1 10 10 VAL H H 288 8.343 8.343 8.627 -0.284 17543 486 1 9 . 1 1 11 11 ARG HA H 289 4.246 4.246 4.509 -0.263 17543 487 1 9 . 1 1 11 11 ARG H H 289 8.146 8.146 7.536 0.610 17543 488 1 9 . 1 1 12 12 SER HA H 290 5.389 5.389 4.804 0.585 17543 489 1 9 . 1 1 12 12 SER H H 290 7.932 7.932 8.371 -0.439 17543 490 1 9 . 1 1 13 13 THR HA H 291 4.539 4.539 4.660 -0.121 17543 491 1 9 . 1 1 13 13 THR H H 291 9.241 9.241 8.282 0.959 17543 492 1 9 . 1 1 14 14 VAL HA H 292 3.754 3.754 3.877 -0.123 17543 493 1 9 . 1 1 14 14 VAL H H 292 8.922 8.922 8.708 0.214 17543 494 1 9 . 1 1 15 15 SER HA H 293 4.232 4.232 4.290 -0.058 17543 495 1 9 . 1 1 15 15 SER H H 293 8.371 8.371 7.914 0.457 17543 496 1 9 . 1 1 16 16 GLY H H 294 7.875 7.875 7.883 -0.008 17543 497 1 9 . 1 1 17 17 ARG HA H 295 4.220 4.220 4.736 -0.516 17543 498 1 9 . 1 1 17 17 ARG H H 295 7.416 7.416 7.623 -0.207 17543 499 1 9 . 1 1 18 18 ILE HA H 296 4.406 4.406 4.372 0.034 17543 500 1 9 . 1 1 18 18 ILE H H 296 8.385 8.385 8.701 -0.316 17543 501 1 9 . 1 1 19 19 TYR HA H 297 4.679 4.679 5.140 -0.461 17543 502 1 9 . 1 1 19 19 TYR H H 297 8.638 8.638 7.916 0.722 17543 503 1 9 . 1 1 20 20 PHE HA H 298 4.965 4.965 4.465 0.500 17543 504 1 9 . 1 1 20 20 PHE H H 298 8.897 8.897 8.574 0.323 17543 505 1 9 . 1 1 21 21 VAL HA H 299 4.105 4.105 4.729 -0.624 17543 506 1 9 . 1 1 21 21 VAL H H 299 9.228 9.228 8.199 1.029 17543 507 1 9 . 1 1 22 22 ASP HA H 300 3.312 3.312 4.869 -1.556 17543 508 1 9 . 1 1 22 22 ASP H H 300 7.999 7.999 7.874 0.125 17543 509 1 9 . 1 1 23 23 HIS HA H 301 4.136 4.136 4.431 -0.295 17543 510 1 9 . 1 1 23 23 HIS H H 301 8.519 8.519 8.119 0.400 17543 511 1 9 . 1 1 24 24 ASN HA H 302 4.180 4.180 4.705 -0.525 17543 512 1 9 . 1 1 24 24 ASN H H 302 8.259 8.259 8.231 0.028 17543 513 1 9 . 1 1 25 25 ASN HA H 303 4.411 4.411 4.687 -0.276 17543 514 1 9 . 1 1 25 25 ASN H H 303 6.616 6.616 8.736 -2.120 17543 515 1 9 . 1 1 26 26 ARG HA H 304 1.995 1.995 4.138 -2.143 17543 516 1 9 . 1 1 26 26 ARG H H 304 7.958 7.958 8.004 -0.046 17543 517 1 9 . 1 1 27 27 THR HA H 305 4.531 4.531 4.611 -0.080 17543 518 1 9 . 1 1 27 27 THR H H 305 6.815 6.815 7.856 -1.042 17543 519 1 9 . 1 1 28 28 THR HA H 306 5.280 5.280 5.166 0.114 17543 520 1 9 . 1 1 28 28 THR H H 306 7.982 7.982 8.170 -0.188 17543 521 1 9 . 1 1 29 29 GLN HA H 307 4.654 4.654 4.621 0.033 17543 522 1 9 . 1 1 29 29 GLN H H 307 8.973 8.973 8.494 0.479 17543 523 1 9 . 1 1 30 30 PHE HA H 308 4.887 4.887 4.761 0.126 17543 524 1 9 . 1 1 30 30 PHE H H 308 9.263 9.263 8.900 0.363 17543 525 1 9 . 1 1 31 31 THR HA H 309 4.123 4.123 4.400 -0.277 17543 526 1 9 . 1 1 31 31 THR H H 309 7.231 7.231 7.890 -0.659 17543 527 1 9 . 1 1 32 32 ASP HA H 310 2.514 2.514 5.403 -2.889 17543 528 1 9 . 1 1 32 32 ASP H H 310 8.346 8.346 8.495 -0.149 17543 529 1 9 . 1 1 33 33 PRO HA H 311 3.696 3.696 4.635 -0.939 17543 530 1 9 . 1 1 34 34 ARG HA H 312 3.675 3.675 4.326 -0.651 17543 531 1 9 . 1 1 34 34 ARG H H 312 8.394 8.394 8.506 -0.112 17543 532 1 10 . 1 1 2 2 GLY H H 280 8.122 8.122 8.292 -0.170 17543 533 1 10 . 1 1 3 3 PRO HA H 281 3.960 3.960 4.555 -0.595 17543 534 1 10 . 1 1 4 4 LEU HA H 282 4.301 4.301 4.381 -0.080 17543 535 1 10 . 1 1 4 4 LEU H H 282 7.607 7.607 8.024 -0.417 17543 536 1 10 . 1 1 5 5 PRO HA H 283 4.499 4.499 4.468 0.031 17543 537 1 10 . 1 1 6 6 PRO HA H 284 4.249 4.249 4.314 -0.065 17543 538 1 10 . 1 1 7 7 GLY H H 285 8.834 8.834 8.438 0.396 17543 539 1 10 . 1 1 8 8 TRP HA H 286 5.823 5.823 4.652 1.171 17543 540 1 10 . 1 1 8 8 TRP H H 286 7.512 7.512 7.687 -0.175 17543 541 1 10 . 1 1 9 9 GLU HA H 287 4.565 4.565 4.557 0.008 17543 542 1 10 . 1 1 9 9 GLU H H 287 9.279 9.279 7.973 1.306 17543 543 1 10 . 1 1 10 10 VAL HA H 288 4.342 4.342 3.800 0.542 17543 544 1 10 . 1 1 10 10 VAL H H 288 8.343 8.343 8.501 -0.158 17543 545 1 10 . 1 1 11 11 ARG HA H 289 4.246 4.246 4.480 -0.234 17543 546 1 10 . 1 1 11 11 ARG H H 289 8.146 8.146 7.544 0.602 17543 547 1 10 . 1 1 12 12 SER HA H 290 5.389 5.389 5.020 0.369 17543 548 1 10 . 1 1 12 12 SER H H 290 7.932 7.932 8.253 -0.321 17543 549 1 10 . 1 1 13 13 THR HA H 291 4.539 4.539 4.629 -0.090 17543 550 1 10 . 1 1 13 13 THR H H 291 9.241 9.241 8.424 0.817 17543 551 1 10 . 1 1 14 14 VAL HA H 292 3.754 3.754 3.868 -0.114 17543 552 1 10 . 1 1 14 14 VAL H H 292 8.922 8.922 8.654 0.268 17543 553 1 10 . 1 1 15 15 SER HA H 293 4.232 4.232 4.301 -0.069 17543 554 1 10 . 1 1 15 15 SER H H 293 8.371 8.371 8.042 0.329 17543 555 1 10 . 1 1 16 16 GLY H H 294 7.875 7.875 8.254 -0.379 17543 556 1 10 . 1 1 17 17 ARG HA H 295 4.220 4.220 4.739 -0.519 17543 557 1 10 . 1 1 17 17 ARG H H 295 7.416 7.416 7.669 -0.253 17543 558 1 10 . 1 1 18 18 ILE HA H 296 4.406 4.406 4.304 0.102 17543 559 1 10 . 1 1 18 18 ILE H H 296 8.385 8.385 8.744 -0.359 17543 560 1 10 . 1 1 19 19 TYR HA H 297 4.679 4.679 4.914 -0.235 17543 561 1 10 . 1 1 19 19 TYR H H 297 8.638 8.638 7.762 0.876 17543 562 1 10 . 1 1 20 20 PHE HA H 298 4.965 4.965 4.417 0.548 17543 563 1 10 . 1 1 20 20 PHE H H 298 8.897 8.897 8.742 0.155 17543 564 1 10 . 1 1 21 21 VAL HA H 299 4.105 4.105 4.712 -0.607 17543 565 1 10 . 1 1 21 21 VAL H H 299 9.228 9.228 8.043 1.185 17543 566 1 10 . 1 1 22 22 ASP HA H 300 3.312 3.312 4.853 -1.541 17543 567 1 10 . 1 1 22 22 ASP H H 300 7.999 7.999 8.067 -0.068 17543 568 1 10 . 1 1 23 23 HIS HA H 301 4.136 4.136 4.342 -0.206 17543 569 1 10 . 1 1 23 23 HIS H H 301 8.519 8.519 8.118 0.401 17543 570 1 10 . 1 1 24 24 ASN HA H 302 4.180 4.180 4.667 -0.487 17543 571 1 10 . 1 1 24 24 ASN H H 302 8.259 8.259 8.321 -0.062 17543 572 1 10 . 1 1 25 25 ASN HA H 303 4.411 4.411 4.770 -0.359 17543 573 1 10 . 1 1 25 25 ASN H H 303 6.616 6.616 8.050 -1.434 17543 574 1 10 . 1 1 26 26 ARG HA H 304 1.995 1.995 4.045 -2.050 17543 575 1 10 . 1 1 26 26 ARG H H 304 7.958 7.958 7.821 0.137 17543 576 1 10 . 1 1 27 27 THR HA H 305 4.531 4.531 4.622 -0.091 17543 577 1 10 . 1 1 27 27 THR H H 305 6.815 6.815 7.904 -1.089 17543 578 1 10 . 1 1 28 28 THR HA H 306 5.280 5.280 5.052 0.228 17543 579 1 10 . 1 1 28 28 THR H H 306 7.982 7.982 8.068 -0.086 17543 580 1 10 . 1 1 29 29 GLN HA H 307 4.654 4.654 4.596 0.058 17543 581 1 10 . 1 1 29 29 GLN H H 307 8.973 8.973 7.994 0.979 17543 582 1 10 . 1 1 30 30 PHE HA H 308 4.887 4.887 4.829 0.058 17543 583 1 10 . 1 1 30 30 PHE H H 308 9.263 9.263 8.819 0.444 17543 584 1 10 . 1 1 31 31 THR HA H 309 4.123 4.123 4.388 -0.265 17543 585 1 10 . 1 1 31 31 THR H H 309 7.231 7.231 7.969 -0.738 17543 586 1 10 . 1 1 32 32 ASP HA H 310 2.514 2.514 5.337 -2.823 17543 587 1 10 . 1 1 32 32 ASP H H 310 8.346 8.346 8.653 -0.307 17543 588 1 10 . 1 1 33 33 PRO HA H 311 3.696 3.696 4.488 -0.792 17543 589 1 10 . 1 1 34 34 ARG HA H 312 3.675 3.675 4.669 -0.994 17543 590 1 10 . 1 1 34 34 ARG H H 312 8.394 8.394 8.596 -0.202 17543 591 1 11 . 1 1 2 2 GLY H H 280 8.122 8.122 8.380 -0.258 17543 592 1 11 . 1 1 3 3 PRO HA H 281 3.960 3.960 4.640 -0.680 17543 593 1 11 . 1 1 4 4 LEU HA H 282 4.301 4.301 4.291 0.010 17543 594 1 11 . 1 1 4 4 LEU H H 282 7.607 7.607 8.046 -0.439 17543 595 1 11 . 1 1 5 5 PRO HA H 283 4.499 4.499 4.554 -0.055 17543 596 1 11 . 1 1 6 6 PRO HA H 284 4.249 4.249 4.343 -0.094 17543 597 1 11 . 1 1 7 7 GLY H H 285 8.834 8.834 8.645 0.189 17543 598 1 11 . 1 1 8 8 TRP HA H 286 5.823 5.823 4.627 1.196 17543 599 1 11 . 1 1 8 8 TRP H H 286 7.512 7.512 7.735 -0.223 17543 600 1 11 . 1 1 9 9 GLU HA H 287 4.565 4.565 4.516 0.049 17543 601 1 11 . 1 1 9 9 GLU H H 287 9.279 9.279 7.966 1.313 17543 602 1 11 . 1 1 10 10 VAL HA H 288 4.342 4.342 3.747 0.595 17543 603 1 11 . 1 1 10 10 VAL H H 288 8.343 8.343 8.511 -0.168 17543 604 1 11 . 1 1 11 11 ARG HA H 289 4.246 4.246 4.494 -0.248 17543 605 1 11 . 1 1 11 11 ARG H H 289 8.146 8.146 7.521 0.625 17543 606 1 11 . 1 1 12 12 SER HA H 290 5.389 5.389 4.740 0.649 17543 607 1 11 . 1 1 12 12 SER H H 290 7.932 7.932 8.515 -0.583 17543 608 1 11 . 1 1 13 13 THR HA H 291 4.539 4.539 4.781 -0.242 17543 609 1 11 . 1 1 13 13 THR H H 291 9.241 9.241 8.304 0.937 17543 610 1 11 . 1 1 14 14 VAL HA H 292 3.754 3.754 3.836 -0.082 17543 611 1 11 . 1 1 14 14 VAL H H 292 8.922 8.922 8.797 0.125 17543 612 1 11 . 1 1 15 15 SER HA H 293 4.232 4.232 4.280 -0.048 17543 613 1 11 . 1 1 15 15 SER H H 293 8.371 8.371 8.027 0.344 17543 614 1 11 . 1 1 16 16 GLY H H 294 7.875 7.875 8.064 -0.189 17543 615 1 11 . 1 1 17 17 ARG HA H 295 4.220 4.220 4.844 -0.624 17543 616 1 11 . 1 1 17 17 ARG H H 295 7.416 7.416 7.554 -0.138 17543 617 1 11 . 1 1 18 18 ILE HA H 296 4.406 4.406 4.364 0.042 17543 618 1 11 . 1 1 18 18 ILE H H 296 8.385 8.385 8.768 -0.383 17543 619 1 11 . 1 1 19 19 TYR HA H 297 4.679 4.679 5.080 -0.401 17543 620 1 11 . 1 1 19 19 TYR H H 297 8.638 8.638 7.866 0.772 17543 621 1 11 . 1 1 20 20 PHE HA H 298 4.965 4.965 4.382 0.583 17543 622 1 11 . 1 1 20 20 PHE H H 298 8.897 8.897 8.443 0.454 17543 623 1 11 . 1 1 21 21 VAL HA H 299 4.105 4.105 4.356 -0.251 17543 624 1 11 . 1 1 21 21 VAL H H 299 9.228 9.228 8.191 1.037 17543 625 1 11 . 1 1 22 22 ASP HA H 300 3.312 3.312 4.807 -1.495 17543 626 1 11 . 1 1 22 22 ASP H H 300 7.999 7.999 8.178 -0.179 17543 627 1 11 . 1 1 23 23 HIS HA H 301 4.136 4.136 4.466 -0.330 17543 628 1 11 . 1 1 23 23 HIS H H 301 8.519 8.519 7.955 0.564 17543 629 1 11 . 1 1 24 24 ASN HA H 302 4.180 4.180 4.633 -0.453 17543 630 1 11 . 1 1 24 24 ASN H H 302 8.259 8.259 8.761 -0.502 17543 631 1 11 . 1 1 25 25 ASN HA H 303 4.411 4.411 4.643 -0.232 17543 632 1 11 . 1 1 25 25 ASN H H 303 6.616 6.616 8.295 -1.679 17543 633 1 11 . 1 1 26 26 ARG HA H 304 1.995 1.995 4.241 -2.246 17543 634 1 11 . 1 1 26 26 ARG H H 304 7.958 7.958 7.578 0.380 17543 635 1 11 . 1 1 27 27 THR HA H 305 4.531 4.531 4.491 0.040 17543 636 1 11 . 1 1 27 27 THR H H 305 6.815 6.815 7.944 -1.129 17543 637 1 11 . 1 1 28 28 THR HA H 306 5.280 5.280 5.033 0.247 17543 638 1 11 . 1 1 28 28 THR H H 306 7.982 7.982 8.165 -0.183 17543 639 1 11 . 1 1 29 29 GLN HA H 307 4.654 4.654 4.546 0.108 17543 640 1 11 . 1 1 29 29 GLN H H 307 8.973 8.973 8.262 0.711 17543 641 1 11 . 1 1 30 30 PHE HA H 308 4.887 4.887 4.806 0.081 17543 642 1 11 . 1 1 30 30 PHE H H 308 9.263 9.263 8.834 0.429 17543 643 1 11 . 1 1 31 31 THR HA H 309 4.123 4.123 4.498 -0.375 17543 644 1 11 . 1 1 31 31 THR H H 309 7.231 7.231 7.766 -0.535 17543 645 1 11 . 1 1 32 32 ASP HA H 310 2.514 2.514 5.369 -2.855 17543 646 1 11 . 1 1 32 32 ASP H H 310 8.346 8.346 8.620 -0.274 17543 647 1 11 . 1 1 33 33 PRO HA H 311 3.696 3.696 4.519 -0.823 17543 648 1 11 . 1 1 34 34 ARG HA H 312 3.675 3.675 4.223 -0.548 17543 649 1 11 . 1 1 34 34 ARG H H 312 8.394 8.394 8.233 0.161 17543 650 1 12 . 1 1 2 2 GLY H H 280 8.122 8.122 8.022 0.100 17543 651 1 12 . 1 1 3 3 PRO HA H 281 3.960 3.960 4.518 -0.558 17543 652 1 12 . 1 1 4 4 LEU HA H 282 4.301 4.301 4.372 -0.071 17543 653 1 12 . 1 1 4 4 LEU H H 282 7.607 7.607 8.083 -0.476 17543 654 1 12 . 1 1 5 5 PRO HA H 283 4.499 4.499 4.612 -0.113 17543 655 1 12 . 1 1 6 6 PRO HA H 284 4.249 4.249 4.334 -0.085 17543 656 1 12 . 1 1 7 7 GLY H H 285 8.834 8.834 8.634 0.200 17543 657 1 12 . 1 1 8 8 TRP HA H 286 5.823 5.823 4.666 1.157 17543 658 1 12 . 1 1 8 8 TRP H H 286 7.512 7.512 7.882 -0.370 17543 659 1 12 . 1 1 9 9 GLU HA H 287 4.565 4.565 4.541 0.024 17543 660 1 12 . 1 1 9 9 GLU H H 287 9.279 9.279 7.978 1.301 17543 661 1 12 . 1 1 10 10 VAL HA H 288 4.342 4.342 3.454 0.888 17543 662 1 12 . 1 1 10 10 VAL H H 288 8.343 8.343 8.485 -0.142 17543 663 1 12 . 1 1 11 11 ARG HA H 289 4.246 4.246 4.440 -0.194 17543 664 1 12 . 1 1 11 11 ARG H H 289 8.146 8.146 7.431 0.715 17543 665 1 12 . 1 1 12 12 SER HA H 290 5.389 5.389 4.889 0.500 17543 666 1 12 . 1 1 12 12 SER H H 290 7.932 7.932 8.394 -0.462 17543 667 1 12 . 1 1 13 13 THR HA H 291 4.539 4.539 4.758 -0.219 17543 668 1 12 . 1 1 13 13 THR H H 291 9.241 9.241 8.279 0.962 17543 669 1 12 . 1 1 14 14 VAL HA H 292 3.754 3.754 3.880 -0.126 17543 670 1 12 . 1 1 14 14 VAL H H 292 8.922 8.922 8.603 0.319 17543 671 1 12 . 1 1 15 15 SER HA H 293 4.232 4.232 4.305 -0.073 17543 672 1 12 . 1 1 15 15 SER H H 293 8.371 8.371 7.830 0.541 17543 673 1 12 . 1 1 16 16 GLY H H 294 7.875 7.875 8.079 -0.204 17543 674 1 12 . 1 1 17 17 ARG HA H 295 4.220 4.220 4.803 -0.583 17543 675 1 12 . 1 1 17 17 ARG H H 295 7.416 7.416 7.539 -0.123 17543 676 1 12 . 1 1 18 18 ILE HA H 296 4.406 4.406 4.325 0.081 17543 677 1 12 . 1 1 18 18 ILE H H 296 8.385 8.385 8.664 -0.279 17543 678 1 12 . 1 1 19 19 TYR HA H 297 4.679 4.679 5.180 -0.501 17543 679 1 12 . 1 1 19 19 TYR H H 297 8.638 8.638 7.900 0.738 17543 680 1 12 . 1 1 20 20 PHE HA H 298 4.965 4.965 4.365 0.600 17543 681 1 12 . 1 1 20 20 PHE H H 298 8.897 8.897 8.443 0.454 17543 682 1 12 . 1 1 21 21 VAL HA H 299 4.105 4.105 4.326 -0.221 17543 683 1 12 . 1 1 21 21 VAL H H 299 9.228 9.228 8.243 0.985 17543 684 1 12 . 1 1 22 22 ASP HA H 300 3.312 3.312 4.901 -1.589 17543 685 1 12 . 1 1 22 22 ASP H H 300 7.999 7.999 8.272 -0.273 17543 686 1 12 . 1 1 23 23 HIS HA H 301 4.136 4.136 4.401 -0.265 17543 687 1 12 . 1 1 23 23 HIS H H 301 8.519 8.519 7.949 0.570 17543 688 1 12 . 1 1 24 24 ASN HA H 302 4.180 4.180 4.710 -0.530 17543 689 1 12 . 1 1 24 24 ASN H H 302 8.259 8.259 8.257 0.002 17543 690 1 12 . 1 1 25 25 ASN HA H 303 4.411 4.411 4.737 -0.326 17543 691 1 12 . 1 1 25 25 ASN H H 303 6.616 6.616 9.027 -2.411 17543 692 1 12 . 1 1 26 26 ARG HA H 304 1.995 1.995 4.113 -2.118 17543 693 1 12 . 1 1 26 26 ARG H H 304 7.958 7.958 7.903 0.055 17543 694 1 12 . 1 1 27 27 THR HA H 305 4.531 4.531 4.691 -0.160 17543 695 1 12 . 1 1 27 27 THR H H 305 6.815 6.815 8.072 -1.257 17543 696 1 12 . 1 1 28 28 THR HA H 306 5.280 5.280 4.906 0.374 17543 697 1 12 . 1 1 28 28 THR H H 306 7.982 7.982 8.367 -0.385 17543 698 1 12 . 1 1 29 29 GLN HA H 307 4.654 4.654 4.550 0.104 17543 699 1 12 . 1 1 29 29 GLN H H 307 8.973 8.973 8.052 0.921 17543 700 1 12 . 1 1 30 30 PHE HA H 308 4.887 4.887 4.825 0.062 17543 701 1 12 . 1 1 30 30 PHE H H 308 9.263 9.263 8.949 0.314 17543 702 1 12 . 1 1 31 31 THR HA H 309 4.123 4.123 4.504 -0.381 17543 703 1 12 . 1 1 31 31 THR H H 309 7.231 7.231 7.809 -0.578 17543 704 1 12 . 1 1 32 32 ASP HA H 310 2.514 2.514 5.390 -2.876 17543 705 1 12 . 1 1 32 32 ASP H H 310 8.346 8.346 8.867 -0.521 17543 706 1 12 . 1 1 33 33 PRO HA H 311 3.696 3.696 4.513 -0.817 17543 707 1 12 . 1 1 34 34 ARG HA H 312 3.675 3.675 4.393 -0.718 17543 708 1 12 . 1 1 34 34 ARG H H 312 8.394 8.394 8.481 -0.087 17543 709 1 13 . 1 1 2 2 GLY H H 280 8.122 8.122 8.333 -0.211 17543 710 1 13 . 1 1 3 3 PRO HA H 281 3.960 3.960 4.595 -0.635 17543 711 1 13 . 1 1 4 4 LEU HA H 282 4.301 4.301 4.462 -0.161 17543 712 1 13 . 1 1 4 4 LEU H H 282 7.607 7.607 8.042 -0.435 17543 713 1 13 . 1 1 5 5 PRO HA H 283 4.499 4.499 4.500 -0.001 17543 714 1 13 . 1 1 6 6 PRO HA H 284 4.249 4.249 4.315 -0.066 17543 715 1 13 . 1 1 7 7 GLY H H 285 8.834 8.834 8.686 0.148 17543 716 1 13 . 1 1 8 8 TRP HA H 286 5.823 5.823 4.618 1.205 17543 717 1 13 . 1 1 8 8 TRP H H 286 7.512 7.512 7.788 -0.276 17543 718 1 13 . 1 1 9 9 GLU HA H 287 4.565 4.565 4.433 0.132 17543 719 1 13 . 1 1 9 9 GLU H H 287 9.279 9.279 8.080 1.199 17543 720 1 13 . 1 1 10 10 VAL HA H 288 4.342 4.342 3.441 0.901 17543 721 1 13 . 1 1 10 10 VAL H H 288 8.343 8.343 8.580 -0.237 17543 722 1 13 . 1 1 11 11 ARG HA H 289 4.246 4.246 4.483 -0.237 17543 723 1 13 . 1 1 11 11 ARG H H 289 8.146 8.146 7.527 0.619 17543 724 1 13 . 1 1 12 12 SER HA H 290 5.389 5.389 4.557 0.832 17543 725 1 13 . 1 1 12 12 SER H H 290 7.932 7.932 8.389 -0.457 17543 726 1 13 . 1 1 13 13 THR HA H 291 4.539 4.539 4.735 -0.196 17543 727 1 13 . 1 1 13 13 THR H H 291 9.241 9.241 8.168 1.073 17543 728 1 13 . 1 1 14 14 VAL HA H 292 3.754 3.754 3.839 -0.085 17543 729 1 13 . 1 1 14 14 VAL H H 292 8.922 8.922 8.850 0.072 17543 730 1 13 . 1 1 15 15 SER HA H 293 4.232 4.232 4.302 -0.070 17543 731 1 13 . 1 1 15 15 SER H H 293 8.371 8.371 7.997 0.374 17543 732 1 13 . 1 1 16 16 GLY H H 294 7.875 7.875 8.177 -0.302 17543 733 1 13 . 1 1 17 17 ARG HA H 295 4.220 4.220 4.769 -0.549 17543 734 1 13 . 1 1 17 17 ARG H H 295 7.416 7.416 7.622 -0.206 17543 735 1 13 . 1 1 18 18 ILE HA H 296 4.406 4.406 4.405 0.001 17543 736 1 13 . 1 1 18 18 ILE H H 296 8.385 8.385 8.771 -0.386 17543 737 1 13 . 1 1 19 19 TYR HA H 297 4.679 4.679 5.281 -0.602 17543 738 1 13 . 1 1 19 19 TYR H H 297 8.638 8.638 7.980 0.658 17543 739 1 13 . 1 1 20 20 PHE HA H 298 4.965 4.965 4.495 0.470 17543 740 1 13 . 1 1 20 20 PHE H H 298 8.897 8.897 8.871 0.026 17543 741 1 13 . 1 1 21 21 VAL HA H 299 4.105 4.105 4.443 -0.338 17543 742 1 13 . 1 1 21 21 VAL H H 299 9.228 9.228 8.351 0.877 17543 743 1 13 . 1 1 22 22 ASP HA H 300 3.312 3.312 4.801 -1.489 17543 744 1 13 . 1 1 22 22 ASP H H 300 7.999 7.999 8.180 -0.181 17543 745 1 13 . 1 1 23 23 HIS HA H 301 4.136 4.136 4.497 -0.361 17543 746 1 13 . 1 1 23 23 HIS H H 301 8.519 8.519 7.993 0.526 17543 747 1 13 . 1 1 24 24 ASN HA H 302 4.180 4.180 4.743 -0.563 17543 748 1 13 . 1 1 24 24 ASN H H 302 8.259 8.259 8.199 0.060 17543 749 1 13 . 1 1 25 25 ASN HA H 303 4.411 4.411 4.706 -0.295 17543 750 1 13 . 1 1 25 25 ASN H H 303 6.616 6.616 8.783 -2.167 17543 751 1 13 . 1 1 26 26 ARG HA H 304 1.995 1.995 4.121 -2.126 17543 752 1 13 . 1 1 26 26 ARG H H 304 7.958 7.958 8.036 -0.078 17543 753 1 13 . 1 1 27 27 THR HA H 305 4.531 4.531 4.543 -0.012 17543 754 1 13 . 1 1 27 27 THR H H 305 6.815 6.815 7.857 -1.042 17543 755 1 13 . 1 1 28 28 THR HA H 306 5.280 5.280 5.216 0.064 17543 756 1 13 . 1 1 28 28 THR H H 306 7.982 7.982 8.324 -0.342 17543 757 1 13 . 1 1 29 29 GLN HA H 307 4.654 4.654 4.648 0.006 17543 758 1 13 . 1 1 29 29 GLN H H 307 8.973 8.973 8.122 0.851 17543 759 1 13 . 1 1 30 30 PHE HA H 308 4.887 4.887 4.936 -0.049 17543 760 1 13 . 1 1 30 30 PHE H H 308 9.263 9.263 8.936 0.327 17543 761 1 13 . 1 1 31 31 THR HA H 309 4.123 4.123 4.428 -0.305 17543 762 1 13 . 1 1 31 31 THR H H 309 7.231 7.231 7.982 -0.751 17543 763 1 13 . 1 1 32 32 ASP HA H 310 2.514 2.514 5.245 -2.731 17543 764 1 13 . 1 1 32 32 ASP H H 310 8.346 8.346 8.841 -0.495 17543 765 1 13 . 1 1 33 33 PRO HA H 311 3.696 3.696 4.605 -0.909 17543 766 1 13 . 1 1 34 34 ARG HA H 312 3.675 3.675 4.501 -0.826 17543 767 1 13 . 1 1 34 34 ARG H H 312 8.394 8.394 8.912 -0.518 17543 768 1 14 . 1 1 2 2 GLY H H 280 8.122 8.122 8.447 -0.325 17543 769 1 14 . 1 1 3 3 PRO HA H 281 3.960 3.960 4.610 -0.650 17543 770 1 14 . 1 1 4 4 LEU HA H 282 4.301 4.301 4.317 -0.017 17543 771 1 14 . 1 1 4 4 LEU H H 282 7.607 7.607 8.073 -0.466 17543 772 1 14 . 1 1 5 5 PRO HA H 283 4.499 4.499 4.579 -0.080 17543 773 1 14 . 1 1 6 6 PRO HA H 284 4.249 4.249 4.301 -0.052 17543 774 1 14 . 1 1 7 7 GLY H H 285 8.834 8.834 8.666 0.168 17543 775 1 14 . 1 1 8 8 TRP HA H 286 5.823 5.823 4.650 1.173 17543 776 1 14 . 1 1 8 8 TRP H H 286 7.512 7.512 7.779 -0.267 17543 777 1 14 . 1 1 9 9 GLU HA H 287 4.565 4.565 4.501 0.064 17543 778 1 14 . 1 1 9 9 GLU H H 287 9.279 9.279 8.027 1.252 17543 779 1 14 . 1 1 10 10 VAL HA H 288 4.342 4.342 3.780 0.562 17543 780 1 14 . 1 1 10 10 VAL H H 288 8.343 8.343 8.532 -0.189 17543 781 1 14 . 1 1 11 11 ARG HA H 289 4.246 4.246 4.436 -0.190 17543 782 1 14 . 1 1 11 11 ARG H H 289 8.146 8.146 7.534 0.612 17543 783 1 14 . 1 1 12 12 SER HA H 290 5.389 5.389 5.287 0.102 17543 784 1 14 . 1 1 12 12 SER H H 290 7.932 7.932 8.106 -0.174 17543 785 1 14 . 1 1 13 13 THR HA H 291 4.539 4.539 4.638 -0.099 17543 786 1 14 . 1 1 13 13 THR H H 291 9.241 9.241 8.398 0.843 17543 787 1 14 . 1 1 14 14 VAL HA H 292 3.754 3.754 3.795 -0.041 17543 788 1 14 . 1 1 14 14 VAL H H 292 8.922 8.922 8.615 0.307 17543 789 1 14 . 1 1 15 15 SER HA H 293 4.232 4.232 4.292 -0.060 17543 790 1 14 . 1 1 15 15 SER H H 293 8.371 8.371 7.892 0.479 17543 791 1 14 . 1 1 16 16 GLY H H 294 7.875 7.875 8.167 -0.292 17543 792 1 14 . 1 1 17 17 ARG HA H 295 4.220 4.220 4.776 -0.556 17543 793 1 14 . 1 1 17 17 ARG H H 295 7.416 7.416 7.641 -0.225 17543 794 1 14 . 1 1 18 18 ILE HA H 296 4.406 4.406 4.378 0.028 17543 795 1 14 . 1 1 18 18 ILE H H 296 8.385 8.385 8.732 -0.347 17543 796 1 14 . 1 1 19 19 TYR HA H 297 4.679 4.679 5.090 -0.411 17543 797 1 14 . 1 1 19 19 TYR H H 297 8.638 8.638 7.857 0.781 17543 798 1 14 . 1 1 20 20 PHE HA H 298 4.965 4.965 4.498 0.467 17543 799 1 14 . 1 1 20 20 PHE H H 298 8.897 8.897 8.795 0.102 17543 800 1 14 . 1 1 21 21 VAL HA H 299 4.105 4.105 4.809 -0.704 17543 801 1 14 . 1 1 21 21 VAL H H 299 9.228 9.228 8.140 1.088 17543 802 1 14 . 1 1 22 22 ASP HA H 300 3.312 3.312 4.808 -1.496 17543 803 1 14 . 1 1 22 22 ASP H H 300 7.999 7.999 7.854 0.145 17543 804 1 14 . 1 1 23 23 HIS HA H 301 4.136 4.136 4.464 -0.328 17543 805 1 14 . 1 1 23 23 HIS H H 301 8.519 8.519 8.263 0.256 17543 806 1 14 . 1 1 24 24 ASN HA H 302 4.180 4.180 4.698 -0.518 17543 807 1 14 . 1 1 24 24 ASN H H 302 8.259 8.259 8.467 -0.208 17543 808 1 14 . 1 1 25 25 ASN HA H 303 4.411 4.411 4.668 -0.257 17543 809 1 14 . 1 1 25 25 ASN H H 303 6.616 6.616 8.745 -2.129 17543 810 1 14 . 1 1 26 26 ARG HA H 304 1.995 1.995 4.173 -2.178 17543 811 1 14 . 1 1 26 26 ARG H H 304 7.958 7.958 7.931 0.027 17543 812 1 14 . 1 1 27 27 THR HA H 305 4.531 4.531 4.688 -0.157 17543 813 1 14 . 1 1 27 27 THR H H 305 6.815 6.815 7.865 -1.050 17543 814 1 14 . 1 1 28 28 THR HA H 306 5.280 5.280 5.483 -0.203 17543 815 1 14 . 1 1 28 28 THR H H 306 7.982 7.982 8.112 -0.130 17543 816 1 14 . 1 1 29 29 GLN HA H 307 4.654 4.654 4.645 0.009 17543 817 1 14 . 1 1 29 29 GLN H H 307 8.973 8.973 8.077 0.896 17543 818 1 14 . 1 1 30 30 PHE HA H 308 4.887 4.887 4.692 0.195 17543 819 1 14 . 1 1 30 30 PHE H H 308 9.263 9.263 8.938 0.325 17543 820 1 14 . 1 1 31 31 THR HA H 309 4.123 4.123 4.393 -0.270 17543 821 1 14 . 1 1 31 31 THR H H 309 7.231 7.231 7.829 -0.598 17543 822 1 14 . 1 1 32 32 ASP HA H 310 2.514 2.514 5.429 -2.915 17543 823 1 14 . 1 1 32 32 ASP H H 310 8.346 8.346 8.651 -0.305 17543 824 1 14 . 1 1 33 33 PRO HA H 311 3.696 3.696 4.416 -0.720 17543 825 1 14 . 1 1 34 34 ARG HA H 312 3.675 3.675 4.582 -0.907 17543 826 1 14 . 1 1 34 34 ARG H H 312 8.394 8.394 9.048 -0.654 17543 827 1 15 . 1 1 2 2 GLY H H 280 8.122 8.122 8.290 -0.168 17543 828 1 15 . 1 1 3 3 PRO HA H 281 3.960 3.960 4.558 -0.598 17543 829 1 15 . 1 1 4 4 LEU HA H 282 4.301 4.301 4.294 0.007 17543 830 1 15 . 1 1 4 4 LEU H H 282 7.607 7.607 8.065 -0.458 17543 831 1 15 . 1 1 5 5 PRO HA H 283 4.499 4.499 4.536 -0.037 17543 832 1 15 . 1 1 6 6 PRO HA H 284 4.249 4.249 4.356 -0.107 17543 833 1 15 . 1 1 7 7 GLY H H 285 8.834 8.834 8.623 0.211 17543 834 1 15 . 1 1 8 8 TRP HA H 286 5.823 5.823 4.621 1.202 17543 835 1 15 . 1 1 8 8 TRP H H 286 7.512 7.512 7.790 -0.278 17543 836 1 15 . 1 1 9 9 GLU HA H 287 4.565 4.565 4.509 0.056 17543 837 1 15 . 1 1 9 9 GLU H H 287 9.279 9.279 7.977 1.302 17543 838 1 15 . 1 1 10 10 VAL HA H 288 4.342 4.342 3.922 0.420 17543 839 1 15 . 1 1 10 10 VAL H H 288 8.343 8.343 8.522 -0.179 17543 840 1 15 . 1 1 11 11 ARG HA H 289 4.246 4.246 4.527 -0.281 17543 841 1 15 . 1 1 11 11 ARG H H 289 8.146 8.146 7.610 0.536 17543 842 1 15 . 1 1 12 12 SER HA H 290 5.389 5.389 4.793 0.596 17543 843 1 15 . 1 1 12 12 SER H H 290 7.932 7.932 8.374 -0.442 17543 844 1 15 . 1 1 13 13 THR HA H 291 4.539 4.539 4.809 -0.270 17543 845 1 15 . 1 1 13 13 THR H H 291 9.241 9.241 8.439 0.802 17543 846 1 15 . 1 1 14 14 VAL HA H 292 3.754 3.754 3.821 -0.067 17543 847 1 15 . 1 1 14 14 VAL H H 292 8.922 8.922 8.620 0.302 17543 848 1 15 . 1 1 15 15 SER HA H 293 4.232 4.232 4.287 -0.055 17543 849 1 15 . 1 1 15 15 SER H H 293 8.371 8.371 7.848 0.523 17543 850 1 15 . 1 1 16 16 GLY H H 294 7.875 7.875 8.017 -0.142 17543 851 1 15 . 1 1 17 17 ARG HA H 295 4.220 4.220 4.737 -0.517 17543 852 1 15 . 1 1 17 17 ARG H H 295 7.416 7.416 7.589 -0.173 17543 853 1 15 . 1 1 18 18 ILE HA H 296 4.406 4.406 4.315 0.091 17543 854 1 15 . 1 1 18 18 ILE H H 296 8.385 8.385 8.761 -0.376 17543 855 1 15 . 1 1 19 19 TYR HA H 297 4.679 4.679 5.100 -0.421 17543 856 1 15 . 1 1 19 19 TYR H H 297 8.638 8.638 7.845 0.793 17543 857 1 15 . 1 1 20 20 PHE HA H 298 4.965 4.965 4.446 0.519 17543 858 1 15 . 1 1 20 20 PHE H H 298 8.897 8.897 8.855 0.042 17543 859 1 15 . 1 1 21 21 VAL HA H 299 4.105 4.105 4.597 -0.492 17543 860 1 15 . 1 1 21 21 VAL H H 299 9.228 9.228 8.241 0.987 17543 861 1 15 . 1 1 22 22 ASP HA H 300 3.312 3.312 5.004 -1.692 17543 862 1 15 . 1 1 22 22 ASP H H 300 7.999 7.999 7.924 0.075 17543 863 1 15 . 1 1 23 23 HIS HA H 301 4.136 4.136 4.359 -0.223 17543 864 1 15 . 1 1 23 23 HIS H H 301 8.519 8.519 7.996 0.523 17543 865 1 15 . 1 1 24 24 ASN HA H 302 4.180 4.180 4.660 -0.480 17543 866 1 15 . 1 1 24 24 ASN H H 302 8.259 8.259 8.283 -0.024 17543 867 1 15 . 1 1 25 25 ASN HA H 303 4.411 4.411 4.633 -0.222 17543 868 1 15 . 1 1 25 25 ASN H H 303 6.616 6.616 8.640 -2.024 17543 869 1 15 . 1 1 26 26 ARG HA H 304 1.995 1.995 4.135 -2.140 17543 870 1 15 . 1 1 26 26 ARG H H 304 7.958 7.958 7.878 0.080 17543 871 1 15 . 1 1 27 27 THR HA H 305 4.531 4.531 4.520 0.011 17543 872 1 15 . 1 1 27 27 THR H H 305 6.815 6.815 7.921 -1.106 17543 873 1 15 . 1 1 28 28 THR HA H 306 5.280 5.280 5.146 0.134 17543 874 1 15 . 1 1 28 28 THR H H 306 7.982 7.982 8.198 -0.216 17543 875 1 15 . 1 1 29 29 GLN HA H 307 4.654 4.654 4.663 -0.009 17543 876 1 15 . 1 1 29 29 GLN H H 307 8.973 8.973 8.008 0.965 17543 877 1 15 . 1 1 30 30 PHE HA H 308 4.887 4.887 4.811 0.076 17543 878 1 15 . 1 1 30 30 PHE H H 308 9.263 9.263 9.030 0.233 17543 879 1 15 . 1 1 31 31 THR HA H 309 4.123 4.123 4.463 -0.340 17543 880 1 15 . 1 1 31 31 THR H H 309 7.231 7.231 7.855 -0.624 17543 881 1 15 . 1 1 32 32 ASP HA H 310 2.514 2.514 5.288 -2.774 17543 882 1 15 . 1 1 32 32 ASP H H 310 8.346 8.346 8.880 -0.534 17543 883 1 15 . 1 1 33 33 PRO HA H 311 3.696 3.696 4.657 -0.961 17543 884 1 15 . 1 1 34 34 ARG HA H 312 3.675 3.675 4.191 -0.516 17543 885 1 15 . 1 1 34 34 ARG H H 312 8.394 8.394 8.558 -0.164 17543 886 1 16 . 1 1 2 2 GLY H H 280 8.122 8.122 8.804 -0.682 17543 887 1 16 . 1 1 3 3 PRO HA H 281 3.960 3.960 4.642 -0.682 17543 888 1 16 . 1 1 4 4 LEU HA H 282 4.301 4.301 4.551 -0.250 17543 889 1 16 . 1 1 4 4 LEU H H 282 7.607 7.607 8.041 -0.434 17543 890 1 16 . 1 1 5 5 PRO HA H 283 4.499 4.499 4.625 -0.126 17543 891 1 16 . 1 1 6 6 PRO HA H 284 4.249 4.249 4.296 -0.047 17543 892 1 16 . 1 1 7 7 GLY H H 285 8.834 8.834 8.563 0.271 17543 893 1 16 . 1 1 8 8 TRP HA H 286 5.823 5.823 4.626 1.197 17543 894 1 16 . 1 1 8 8 TRP H H 286 7.512 7.512 8.235 -0.723 17543 895 1 16 . 1 1 9 9 GLU HA H 287 4.565 4.565 4.465 0.100 17543 896 1 16 . 1 1 9 9 GLU H H 287 9.279 9.279 7.998 1.281 17543 897 1 16 . 1 1 10 10 VAL HA H 288 4.342 4.342 3.587 0.755 17543 898 1 16 . 1 1 10 10 VAL H H 288 8.343 8.343 8.634 -0.291 17543 899 1 16 . 1 1 11 11 ARG HA H 289 4.246 4.246 4.473 -0.227 17543 900 1 16 . 1 1 11 11 ARG H H 289 8.146 8.146 7.531 0.615 17543 901 1 16 . 1 1 12 12 SER HA H 290 5.389 5.389 4.596 0.793 17543 902 1 16 . 1 1 12 12 SER H H 290 7.932 7.932 8.340 -0.408 17543 903 1 16 . 1 1 13 13 THR HA H 291 4.539 4.539 4.757 -0.218 17543 904 1 16 . 1 1 13 13 THR H H 291 9.241 9.241 8.183 1.058 17543 905 1 16 . 1 1 14 14 VAL HA H 292 3.754 3.754 3.801 -0.047 17543 906 1 16 . 1 1 14 14 VAL H H 292 8.922 8.922 8.711 0.211 17543 907 1 16 . 1 1 15 15 SER HA H 293 4.232 4.232 4.290 -0.058 17543 908 1 16 . 1 1 15 15 SER H H 293 8.371 8.371 8.034 0.337 17543 909 1 16 . 1 1 16 16 GLY H H 294 7.875 7.875 7.897 -0.022 17543 910 1 16 . 1 1 17 17 ARG HA H 295 4.220 4.220 4.665 -0.445 17543 911 1 16 . 1 1 17 17 ARG H H 295 7.416 7.416 7.700 -0.284 17543 912 1 16 . 1 1 18 18 ILE HA H 296 4.406 4.406 4.307 0.099 17543 913 1 16 . 1 1 18 18 ILE H H 296 8.385 8.385 8.549 -0.164 17543 914 1 16 . 1 1 19 19 TYR HA H 297 4.679 4.679 5.103 -0.424 17543 915 1 16 . 1 1 19 19 TYR H H 297 8.638 8.638 7.899 0.739 17543 916 1 16 . 1 1 20 20 PHE HA H 298 4.965 4.965 4.457 0.508 17543 917 1 16 . 1 1 20 20 PHE H H 298 8.897 8.897 9.001 -0.104 17543 918 1 16 . 1 1 21 21 VAL HA H 299 4.105 4.105 4.521 -0.416 17543 919 1 16 . 1 1 21 21 VAL H H 299 9.228 9.228 8.251 0.977 17543 920 1 16 . 1 1 22 22 ASP HA H 300 3.312 3.312 4.887 -1.575 17543 921 1 16 . 1 1 22 22 ASP H H 300 7.999 7.999 8.218 -0.219 17543 922 1 16 . 1 1 23 23 HIS HA H 301 4.136 4.136 4.365 -0.229 17543 923 1 16 . 1 1 23 23 HIS H H 301 8.519 8.519 7.971 0.548 17543 924 1 16 . 1 1 24 24 ASN HA H 302 4.180 4.180 4.666 -0.486 17543 925 1 16 . 1 1 24 24 ASN H H 302 8.259 8.259 8.202 0.057 17543 926 1 16 . 1 1 25 25 ASN HA H 303 4.411 4.411 4.652 -0.241 17543 927 1 16 . 1 1 25 25 ASN H H 303 6.616 6.616 8.921 -2.305 17543 928 1 16 . 1 1 26 26 ARG HA H 304 1.995 1.995 4.140 -2.145 17543 929 1 16 . 1 1 26 26 ARG H H 304 7.958 7.958 7.954 0.005 17543 930 1 16 . 1 1 27 27 THR HA H 305 4.531 4.531 4.539 -0.008 17543 931 1 16 . 1 1 27 27 THR H H 305 6.815 6.815 8.526 -1.711 17543 932 1 16 . 1 1 28 28 THR HA H 306 5.280 5.280 5.077 0.203 17543 933 1 16 . 1 1 28 28 THR H H 306 7.982 7.982 8.271 -0.289 17543 934 1 16 . 1 1 29 29 GLN HA H 307 4.654 4.654 4.662 -0.008 17543 935 1 16 . 1 1 29 29 GLN H H 307 8.973 8.973 7.876 1.097 17543 936 1 16 . 1 1 30 30 PHE HA H 308 4.887 4.887 4.883 0.004 17543 937 1 16 . 1 1 30 30 PHE H H 308 9.263 9.263 8.878 0.385 17543 938 1 16 . 1 1 31 31 THR HA H 309 4.123 4.123 4.404 -0.281 17543 939 1 16 . 1 1 31 31 THR H H 309 7.231 7.231 7.925 -0.694 17543 940 1 16 . 1 1 32 32 ASP HA H 310 2.514 2.514 5.352 -2.838 17543 941 1 16 . 1 1 32 32 ASP H H 310 8.346 8.346 8.600 -0.254 17543 942 1 16 . 1 1 33 33 PRO HA H 311 3.696 3.696 4.431 -0.735 17543 943 1 16 . 1 1 34 34 ARG HA H 312 3.675 3.675 4.386 -0.711 17543 944 1 16 . 1 1 34 34 ARG H H 312 8.394 8.394 8.865 -0.471 17543 945 1 17 . 1 1 2 2 GLY H H 280 8.122 8.122 8.476 -0.354 17543 946 1 17 . 1 1 3 3 PRO HA H 281 3.960 3.960 4.646 -0.686 17543 947 1 17 . 1 1 4 4 LEU HA H 282 4.301 4.301 4.542 -0.241 17543 948 1 17 . 1 1 4 4 LEU H H 282 7.607 7.607 8.075 -0.468 17543 949 1 17 . 1 1 5 5 PRO HA H 283 4.499 4.499 4.730 -0.231 17543 950 1 17 . 1 1 6 6 PRO HA H 284 4.249 4.249 4.278 -0.029 17543 951 1 17 . 1 1 7 7 GLY H H 285 8.834 8.834 8.609 0.225 17543 952 1 17 . 1 1 8 8 TRP HA H 286 5.823 5.823 4.636 1.187 17543 953 1 17 . 1 1 8 8 TRP H H 286 7.512 7.512 7.973 -0.461 17543 954 1 17 . 1 1 9 9 GLU HA H 287 4.565 4.565 4.436 0.129 17543 955 1 17 . 1 1 9 9 GLU H H 287 9.279 9.279 8.042 1.237 17543 956 1 17 . 1 1 10 10 VAL HA H 288 4.342 4.342 3.483 0.859 17543 957 1 17 . 1 1 10 10 VAL H H 288 8.343 8.343 8.594 -0.251 17543 958 1 17 . 1 1 11 11 ARG HA H 289 4.246 4.246 4.433 -0.187 17543 959 1 17 . 1 1 11 11 ARG H H 289 8.146 8.146 7.546 0.600 17543 960 1 17 . 1 1 12 12 SER HA H 290 5.389 5.389 4.806 0.583 17543 961 1 17 . 1 1 12 12 SER H H 290 7.932 7.932 8.113 -0.181 17543 962 1 17 . 1 1 13 13 THR HA H 291 4.539 4.539 4.750 -0.211 17543 963 1 17 . 1 1 13 13 THR H H 291 9.241 9.241 8.461 0.779 17543 964 1 17 . 1 1 14 14 VAL HA H 292 3.754 3.754 3.840 -0.086 17543 965 1 17 . 1 1 14 14 VAL H H 292 8.922 8.922 8.654 0.268 17543 966 1 17 . 1 1 15 15 SER HA H 293 4.232 4.232 4.302 -0.070 17543 967 1 17 . 1 1 15 15 SER H H 293 8.371 8.371 8.137 0.234 17543 968 1 17 . 1 1 16 16 GLY H H 294 7.875 7.875 8.031 -0.156 17543 969 1 17 . 1 1 17 17 ARG HA H 295 4.220 4.220 4.738 -0.518 17543 970 1 17 . 1 1 17 17 ARG H H 295 7.416 7.416 7.631 -0.215 17543 971 1 17 . 1 1 18 18 ILE HA H 296 4.406 4.406 4.395 0.011 17543 972 1 17 . 1 1 18 18 ILE H H 296 8.385 8.385 8.677 -0.292 17543 973 1 17 . 1 1 19 19 TYR HA H 297 4.679 4.679 5.319 -0.640 17543 974 1 17 . 1 1 19 19 TYR H H 297 8.638 8.638 7.888 0.750 17543 975 1 17 . 1 1 20 20 PHE HA H 298 4.965 4.965 4.494 0.471 17543 976 1 17 . 1 1 20 20 PHE H H 298 8.897 8.897 8.801 0.096 17543 977 1 17 . 1 1 21 21 VAL HA H 299 4.105 4.105 4.604 -0.499 17543 978 1 17 . 1 1 21 21 VAL H H 299 9.228 9.228 8.401 0.827 17543 979 1 17 . 1 1 22 22 ASP HA H 300 3.312 3.312 4.873 -1.561 17543 980 1 17 . 1 1 22 22 ASP H H 300 7.999 7.999 8.022 -0.023 17543 981 1 17 . 1 1 23 23 HIS HA H 301 4.136 4.136 4.526 -0.390 17543 982 1 17 . 1 1 23 23 HIS H H 301 8.519 8.519 8.062 0.457 17543 983 1 17 . 1 1 24 24 ASN HA H 302 4.180 4.180 4.633 -0.453 17543 984 1 17 . 1 1 24 24 ASN H H 302 8.259 8.259 8.559 -0.300 17543 985 1 17 . 1 1 25 25 ASN HA H 303 4.411 4.411 4.659 -0.248 17543 986 1 17 . 1 1 25 25 ASN H H 303 6.616 6.616 8.659 -2.043 17543 987 1 17 . 1 1 26 26 ARG HA H 304 1.995 1.995 4.215 -2.220 17543 988 1 17 . 1 1 26 26 ARG H H 304 7.958 7.958 7.948 0.010 17543 989 1 17 . 1 1 27 27 THR HA H 305 4.531 4.531 4.523 0.008 17543 990 1 17 . 1 1 27 27 THR H H 305 6.815 6.815 7.966 -1.151 17543 991 1 17 . 1 1 28 28 THR HA H 306 5.280 5.280 5.218 0.062 17543 992 1 17 . 1 1 28 28 THR H H 306 7.982 7.982 8.208 -0.226 17543 993 1 17 . 1 1 29 29 GLN HA H 307 4.654 4.654 4.663 -0.009 17543 994 1 17 . 1 1 29 29 GLN H H 307 8.973 8.973 8.017 0.956 17543 995 1 17 . 1 1 30 30 PHE HA H 308 4.887 4.887 4.819 0.068 17543 996 1 17 . 1 1 30 30 PHE H H 308 9.263 9.263 8.938 0.325 17543 997 1 17 . 1 1 31 31 THR HA H 309 4.123 4.123 4.462 -0.339 17543 998 1 17 . 1 1 31 31 THR H H 309 7.231 7.231 7.780 -0.549 17543 999 1 17 . 1 1 32 32 ASP HA H 310 2.514 2.514 5.310 -2.796 17543 1000 1 17 . 1 1 32 32 ASP H H 310 8.346 8.346 8.640 -0.294 17543 1001 1 17 . 1 1 33 33 PRO HA H 311 3.696 3.696 4.497 -0.801 17543 1002 1 17 . 1 1 34 34 ARG HA H 312 3.675 3.675 4.332 -0.657 17543 1003 1 17 . 1 1 34 34 ARG H H 312 8.394 8.394 8.385 0.009 17543 1004 1 18 . 1 1 2 2 GLY H H 280 8.122 8.122 7.737 0.385 17543 1005 1 18 . 1 1 3 3 PRO HA H 281 3.960 3.960 4.466 -0.506 17543 1006 1 18 . 1 1 4 4 LEU HA H 282 4.301 4.301 4.492 -0.191 17543 1007 1 18 . 1 1 4 4 LEU H H 282 7.607 7.607 8.097 -0.490 17543 1008 1 18 . 1 1 5 5 PRO HA H 283 4.499 4.499 4.540 -0.041 17543 1009 1 18 . 1 1 6 6 PRO HA H 284 4.249 4.249 4.379 -0.130 17543 1010 1 18 . 1 1 7 7 GLY H H 285 8.834 8.834 8.593 0.241 17543 1011 1 18 . 1 1 8 8 TRP HA H 286 5.823 5.823 4.663 1.160 17543 1012 1 18 . 1 1 8 8 TRP H H 286 7.512 7.512 7.702 -0.190 17543 1013 1 18 . 1 1 9 9 GLU HA H 287 4.565 4.565 4.505 0.060 17543 1014 1 18 . 1 1 9 9 GLU H H 287 9.279 9.279 7.987 1.292 17543 1015 1 18 . 1 1 10 10 VAL HA H 288 4.342 4.342 3.784 0.558 17543 1016 1 18 . 1 1 10 10 VAL H H 288 8.343 8.343 8.485 -0.142 17543 1017 1 18 . 1 1 11 11 ARG HA H 289 4.246 4.246 4.469 -0.223 17543 1018 1 18 . 1 1 11 11 ARG H H 289 8.146 8.146 7.568 0.578 17543 1019 1 18 . 1 1 12 12 SER HA H 290 5.389 5.389 4.864 0.525 17543 1020 1 18 . 1 1 12 12 SER H H 290 7.932 7.932 8.278 -0.346 17543 1021 1 18 . 1 1 13 13 THR HA H 291 4.539 4.539 4.751 -0.212 17543 1022 1 18 . 1 1 13 13 THR H H 291 9.241 9.241 8.354 0.887 17543 1023 1 18 . 1 1 14 14 VAL HA H 292 3.754 3.754 3.814 -0.060 17543 1024 1 18 . 1 1 14 14 VAL H H 292 8.922 8.922 8.534 0.388 17543 1025 1 18 . 1 1 15 15 SER HA H 293 4.232 4.232 4.273 -0.041 17543 1026 1 18 . 1 1 15 15 SER H H 293 8.371 8.371 7.782 0.589 17543 1027 1 18 . 1 1 16 16 GLY H H 294 7.875 7.875 8.066 -0.191 17543 1028 1 18 . 1 1 17 17 ARG HA H 295 4.220 4.220 4.769 -0.549 17543 1029 1 18 . 1 1 17 17 ARG H H 295 7.416 7.416 7.645 -0.229 17543 1030 1 18 . 1 1 18 18 ILE HA H 296 4.406 4.406 4.313 0.093 17543 1031 1 18 . 1 1 18 18 ILE H H 296 8.385 8.385 8.702 -0.317 17543 1032 1 18 . 1 1 19 19 TYR HA H 297 4.679 4.679 4.992 -0.313 17543 1033 1 18 . 1 1 19 19 TYR H H 297 8.638 8.638 7.763 0.875 17543 1034 1 18 . 1 1 20 20 PHE HA H 298 4.965 4.965 4.402 0.563 17543 1035 1 18 . 1 1 20 20 PHE H H 298 8.897 8.897 8.894 0.003 17543 1036 1 18 . 1 1 21 21 VAL HA H 299 4.105 4.105 4.711 -0.606 17543 1037 1 18 . 1 1 21 21 VAL H H 299 9.228 9.228 8.052 1.176 17543 1038 1 18 . 1 1 22 22 ASP HA H 300 3.312 3.312 4.843 -1.531 17543 1039 1 18 . 1 1 22 22 ASP H H 300 7.999 7.999 7.660 0.339 17543 1040 1 18 . 1 1 23 23 HIS HA H 301 4.136 4.136 4.427 -0.291 17543 1041 1 18 . 1 1 23 23 HIS H H 301 8.519 8.519 8.144 0.375 17543 1042 1 18 . 1 1 24 24 ASN HA H 302 4.180 4.180 4.674 -0.494 17543 1043 1 18 . 1 1 24 24 ASN H H 302 8.259 8.259 8.471 -0.212 17543 1044 1 18 . 1 1 25 25 ASN HA H 303 4.411 4.411 4.794 -0.383 17543 1045 1 18 . 1 1 25 25 ASN H H 303 6.616 6.616 8.795 -2.179 17543 1046 1 18 . 1 1 26 26 ARG HA H 304 1.995 1.995 4.179 -2.184 17543 1047 1 18 . 1 1 26 26 ARG H H 304 7.958 7.958 7.723 0.234 17543 1048 1 18 . 1 1 27 27 THR HA H 305 4.531 4.531 4.609 -0.078 17543 1049 1 18 . 1 1 27 27 THR H H 305 6.815 6.815 7.316 -0.501 17543 1050 1 18 . 1 1 28 28 THR HA H 306 5.280 5.280 5.306 -0.026 17543 1051 1 18 . 1 1 28 28 THR H H 306 7.982 7.982 8.298 -0.316 17543 1052 1 18 . 1 1 29 29 GLN HA H 307 4.654 4.654 4.677 -0.023 17543 1053 1 18 . 1 1 29 29 GLN H H 307 8.973 8.973 8.065 0.908 17543 1054 1 18 . 1 1 30 30 PHE HA H 308 4.887 4.887 4.822 0.065 17543 1055 1 18 . 1 1 30 30 PHE H H 308 9.263 9.263 8.868 0.395 17543 1056 1 18 . 1 1 31 31 THR HA H 309 4.123 4.123 4.357 -0.234 17543 1057 1 18 . 1 1 31 31 THR H H 309 7.231 7.231 7.748 -0.517 17543 1058 1 18 . 1 1 32 32 ASP HA H 310 2.514 2.514 5.327 -2.813 17543 1059 1 18 . 1 1 32 32 ASP H H 310 8.346 8.346 8.803 -0.457 17543 1060 1 18 . 1 1 33 33 PRO HA H 311 3.696 3.696 4.413 -0.717 17543 1061 1 18 . 1 1 34 34 ARG HA H 312 3.675 3.675 4.286 -0.611 17543 1062 1 18 . 1 1 34 34 ARG H H 312 8.394 8.394 8.965 -0.571 17543 1063 1 19 . 1 1 2 2 GLY H H 280 8.122 8.122 8.419 -0.297 17543 1064 1 19 . 1 1 3 3 PRO HA H 281 3.960 3.960 4.659 -0.699 17543 1065 1 19 . 1 1 4 4 LEU HA H 282 4.301 4.301 4.455 -0.154 17543 1066 1 19 . 1 1 4 4 LEU H H 282 7.607 7.607 8.130 -0.523 17543 1067 1 19 . 1 1 5 5 PRO HA H 283 4.499 4.499 4.447 0.052 17543 1068 1 19 . 1 1 6 6 PRO HA H 284 4.249 4.249 4.343 -0.094 17543 1069 1 19 . 1 1 7 7 GLY H H 285 8.834 8.834 8.513 0.321 17543 1070 1 19 . 1 1 8 8 TRP HA H 286 5.823 5.823 4.645 1.178 17543 1071 1 19 . 1 1 8 8 TRP H H 286 7.512 7.512 7.694 -0.182 17543 1072 1 19 . 1 1 9 9 GLU HA H 287 4.565 4.565 4.542 0.023 17543 1073 1 19 . 1 1 9 9 GLU H H 287 9.279 9.279 7.921 1.358 17543 1074 1 19 . 1 1 10 10 VAL HA H 288 4.342 4.342 3.776 0.566 17543 1075 1 19 . 1 1 10 10 VAL H H 288 8.343 8.343 8.501 -0.158 17543 1076 1 19 . 1 1 11 11 ARG HA H 289 4.246 4.246 4.387 -0.141 17543 1077 1 19 . 1 1 11 11 ARG H H 289 8.146 8.146 7.590 0.556 17543 1078 1 19 . 1 1 12 12 SER HA H 290 5.389 5.389 4.645 0.744 17543 1079 1 19 . 1 1 12 12 SER H H 290 7.932 7.932 8.017 -0.085 17543 1080 1 19 . 1 1 13 13 THR HA H 291 4.539 4.539 4.757 -0.218 17543 1081 1 19 . 1 1 13 13 THR H H 291 9.241 9.241 8.164 1.077 17543 1082 1 19 . 1 1 14 14 VAL HA H 292 3.754 3.754 3.815 -0.061 17543 1083 1 19 . 1 1 14 14 VAL H H 292 8.922 8.922 8.578 0.344 17543 1084 1 19 . 1 1 15 15 SER HA H 293 4.232 4.232 4.260 -0.028 17543 1085 1 19 . 1 1 15 15 SER H H 293 8.371 8.371 7.836 0.535 17543 1086 1 19 . 1 1 16 16 GLY H H 294 7.875 7.875 8.021 -0.145 17543 1087 1 19 . 1 1 17 17 ARG HA H 295 4.220 4.220 4.829 -0.609 17543 1088 1 19 . 1 1 17 17 ARG H H 295 7.416 7.416 7.596 -0.180 17543 1089 1 19 . 1 1 18 18 ILE HA H 296 4.406 4.406 4.312 0.094 17543 1090 1 19 . 1 1 18 18 ILE H H 296 8.385 8.385 8.687 -0.302 17543 1091 1 19 . 1 1 19 19 TYR HA H 297 4.679 4.679 4.959 -0.280 17543 1092 1 19 . 1 1 19 19 TYR H H 297 8.638 8.638 7.777 0.861 17543 1093 1 19 . 1 1 20 20 PHE HA H 298 4.965 4.965 4.399 0.566 17543 1094 1 19 . 1 1 20 20 PHE H H 298 8.897 8.897 8.727 0.170 17543 1095 1 19 . 1 1 21 21 VAL HA H 299 4.105 4.105 4.494 -0.389 17543 1096 1 19 . 1 1 21 21 VAL H H 299 9.228 9.228 8.098 1.130 17543 1097 1 19 . 1 1 22 22 ASP HA H 300 3.312 3.312 4.837 -1.525 17543 1098 1 19 . 1 1 22 22 ASP H H 300 7.999 7.999 7.897 0.102 17543 1099 1 19 . 1 1 23 23 HIS HA H 301 4.136 4.136 4.437 -0.301 17543 1100 1 19 . 1 1 23 23 HIS H H 301 8.519 8.519 8.025 0.494 17543 1101 1 19 . 1 1 24 24 ASN HA H 302 4.180 4.180 4.649 -0.469 17543 1102 1 19 . 1 1 24 24 ASN H H 302 8.259 8.259 8.951 -0.692 17543 1103 1 19 . 1 1 25 25 ASN HA H 303 4.411 4.411 4.684 -0.273 17543 1104 1 19 . 1 1 25 25 ASN H H 303 6.616 6.616 8.036 -1.420 17543 1105 1 19 . 1 1 26 26 ARG HA H 304 1.995 1.995 4.210 -2.215 17543 1106 1 19 . 1 1 26 26 ARG H H 304 7.958 7.958 7.666 0.292 17543 1107 1 19 . 1 1 27 27 THR HA H 305 4.531 4.531 4.479 0.052 17543 1108 1 19 . 1 1 27 27 THR H H 305 6.815 6.815 7.921 -1.106 17543 1109 1 19 . 1 1 28 28 THR HA H 306 5.280 5.280 5.191 0.089 17543 1110 1 19 . 1 1 28 28 THR H H 306 7.982 7.982 8.410 -0.428 17543 1111 1 19 . 1 1 29 29 GLN HA H 307 4.654 4.654 4.539 0.115 17543 1112 1 19 . 1 1 29 29 GLN H H 307 8.973 8.973 8.417 0.556 17543 1113 1 19 . 1 1 30 30 PHE HA H 308 4.887 4.887 4.751 0.136 17543 1114 1 19 . 1 1 30 30 PHE H H 308 9.263 9.263 8.938 0.325 17543 1115 1 19 . 1 1 31 31 THR HA H 309 4.123 4.123 4.493 -0.370 17543 1116 1 19 . 1 1 31 31 THR H H 309 7.231 7.231 7.630 -0.399 17543 1117 1 19 . 1 1 32 32 ASP HA H 310 2.514 2.514 5.426 -2.912 17543 1118 1 19 . 1 1 32 32 ASP H H 310 8.346 8.346 8.605 -0.259 17543 1119 1 19 . 1 1 33 33 PRO HA H 311 3.696 3.696 4.411 -0.715 17543 1120 1 19 . 1 1 34 34 ARG HA H 312 3.675 3.675 4.321 -0.646 17543 1121 1 19 . 1 1 34 34 ARG H H 312 8.394 8.394 8.942 -0.548 17543 1122 1 20 . 1 1 2 2 GLY H H 280 8.122 8.122 8.264 -0.142 17543 1123 1 20 . 1 1 3 3 PRO HA H 281 3.960 3.960 4.618 -0.658 17543 1124 1 20 . 1 1 4 4 LEU HA H 282 4.301 4.301 4.419 -0.118 17543 1125 1 20 . 1 1 4 4 LEU H H 282 7.607 7.607 8.150 -0.543 17543 1126 1 20 . 1 1 5 5 PRO HA H 283 4.499 4.499 4.516 -0.017 17543 1127 1 20 . 1 1 6 6 PRO HA H 284 4.249 4.249 4.312 -0.063 17543 1128 1 20 . 1 1 7 7 GLY H H 285 8.834 8.834 8.611 0.223 17543 1129 1 20 . 1 1 8 8 TRP HA H 286 5.823 5.823 4.625 1.198 17543 1130 1 20 . 1 1 8 8 TRP H H 286 7.512 7.512 7.951 -0.439 17543 1131 1 20 . 1 1 9 9 GLU HA H 287 4.565 4.565 4.432 0.133 17543 1132 1 20 . 1 1 9 9 GLU H H 287 9.279 9.279 8.033 1.246 17543 1133 1 20 . 1 1 10 10 VAL HA H 288 4.342 4.342 3.481 0.861 17543 1134 1 20 . 1 1 10 10 VAL H H 288 8.343 8.343 8.614 -0.271 17543 1135 1 20 . 1 1 11 11 ARG HA H 289 4.246 4.246 4.440 -0.194 17543 1136 1 20 . 1 1 11 11 ARG H H 289 8.146 8.146 7.552 0.594 17543 1137 1 20 . 1 1 12 12 SER HA H 290 5.389 5.389 4.786 0.603 17543 1138 1 20 . 1 1 12 12 SER H H 290 7.932 7.932 8.044 -0.112 17543 1139 1 20 . 1 1 13 13 THR HA H 291 4.539 4.539 4.666 -0.127 17543 1140 1 20 . 1 1 13 13 THR H H 291 9.241 9.241 8.382 0.859 17543 1141 1 20 . 1 1 14 14 VAL HA H 292 3.754 3.754 3.867 -0.113 17543 1142 1 20 . 1 1 14 14 VAL H H 292 8.922 8.922 8.615 0.307 17543 1143 1 20 . 1 1 15 15 SER HA H 293 4.232 4.232 4.315 -0.083 17543 1144 1 20 . 1 1 15 15 SER H H 293 8.371 8.371 8.002 0.369 17543 1145 1 20 . 1 1 16 16 GLY H H 294 7.875 7.875 8.061 -0.186 17543 1146 1 20 . 1 1 17 17 ARG HA H 295 4.220 4.220 4.755 -0.535 17543 1147 1 20 . 1 1 17 17 ARG H H 295 7.416 7.416 7.661 -0.245 17543 1148 1 20 . 1 1 18 18 ILE HA H 296 4.406 4.406 4.325 0.081 17543 1149 1 20 . 1 1 18 18 ILE H H 296 8.385 8.385 8.757 -0.372 17543 1150 1 20 . 1 1 19 19 TYR HA H 297 4.679 4.679 5.048 -0.369 17543 1151 1 20 . 1 1 19 19 TYR H H 297 8.638 8.638 7.888 0.750 17543 1152 1 20 . 1 1 20 20 PHE HA H 298 4.965 4.965 4.399 0.566 17543 1153 1 20 . 1 1 20 20 PHE H H 298 8.897 8.897 8.580 0.317 17543 1154 1 20 . 1 1 21 21 VAL HA H 299 4.105 4.105 4.389 -0.284 17543 1155 1 20 . 1 1 21 21 VAL H H 299 9.228 9.228 8.293 0.935 17543 1156 1 20 . 1 1 22 22 ASP HA H 300 3.312 3.312 4.886 -1.574 17543 1157 1 20 . 1 1 22 22 ASP H H 300 7.999 7.999 8.092 -0.093 17543 1158 1 20 . 1 1 23 23 HIS HA H 301 4.136 4.136 4.387 -0.251 17543 1159 1 20 . 1 1 23 23 HIS H H 301 8.519 8.519 8.025 0.494 17543 1160 1 20 . 1 1 24 24 ASN HA H 302 4.180 4.180 4.704 -0.524 17543 1161 1 20 . 1 1 24 24 ASN H H 302 8.259 8.259 8.274 -0.015 17543 1162 1 20 . 1 1 25 25 ASN HA H 303 4.411 4.411 4.679 -0.268 17543 1163 1 20 . 1 1 25 25 ASN H H 303 6.616 6.616 9.044 -2.428 17543 1164 1 20 . 1 1 26 26 ARG HA H 304 1.995 1.995 4.091 -2.096 17543 1165 1 20 . 1 1 26 26 ARG H H 304 7.958 7.958 7.926 0.032 17543 1166 1 20 . 1 1 27 27 THR HA H 305 4.531 4.531 4.620 -0.089 17543 1167 1 20 . 1 1 27 27 THR H H 305 6.815 6.815 8.112 -1.297 17543 1168 1 20 . 1 1 28 28 THR HA H 306 5.280 5.280 4.995 0.285 17543 1169 1 20 . 1 1 28 28 THR H H 306 7.982 7.982 8.324 -0.342 17543 1170 1 20 . 1 1 29 29 GLN HA H 307 4.654 4.654 4.594 0.060 17543 1171 1 20 . 1 1 29 29 GLN H H 307 8.973 8.973 7.863 1.110 17543 1172 1 20 . 1 1 30 30 PHE HA H 308 4.887 4.887 4.740 0.147 17543 1173 1 20 . 1 1 30 30 PHE H H 308 9.263 9.263 8.944 0.319 17543 1174 1 20 . 1 1 31 31 THR HA H 309 4.123 4.123 4.497 -0.374 17543 1175 1 20 . 1 1 31 31 THR H H 309 7.231 7.231 7.670 -0.439 17543 1176 1 20 . 1 1 32 32 ASP HA H 310 2.514 2.514 5.299 -2.785 17543 1177 1 20 . 1 1 32 32 ASP H H 310 8.346 8.346 8.706 -0.360 17543 1178 1 20 . 1 1 33 33 PRO HA H 311 3.696 3.696 4.481 -0.785 17543 1179 1 20 . 1 1 34 34 ARG HA H 312 3.675 3.675 4.343 -0.668 17543 1180 1 20 . 1 1 34 34 ARG H H 312 8.394 8.394 8.529 -0.135 17543 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 0 0.000 0.000 0.000 17543 2 1 1 "Average Difference" HA 33 0.806 0.304 0.758 17543 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17543 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 17543 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 17543 6 1 1 "Average Difference" HN 29 0.655 0.014 0.667 17543 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 17543 8 1 2 "Average Difference" HA 33 0.796 0.324 0.738 17543 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17543 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 17543 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 17543 12 1 2 "Average Difference" HN 29 0.649 -0.009 0.661 17543 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 17543 14 1 3 "Average Difference" HA 33 0.789 0.296 0.743 17543 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17543 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 17543 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 17543 18 1 3 "Average Difference" HN 29 0.661 -0.026 0.672 17543 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 17543 20 1 4 "Average Difference" HA 33 0.808 0.268 0.774 17543 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17543 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 17543 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 17543 24 1 4 "Average Difference" HN 29 0.603 -0.039 0.612 17543 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 17543 26 1 5 "Average Difference" HA 33 0.794 0.277 0.755 17543 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17543 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 17543 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 17543 30 1 5 "Average Difference" HN 29 0.670 -0.063 0.679 17543 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 17543 32 1 6 "Average Difference" HA 33 0.794 0.300 0.746 17543 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17543 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 17543 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 17543 36 1 6 "Average Difference" HN 29 0.641 -0.025 0.652 17543 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 17543 38 1 7 "Average Difference" HA 33 0.807 0.303 0.760 17543 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17543 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 17543 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 17543 42 1 7 "Average Difference" HN 29 0.707 -0.034 0.719 17543 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 17543 44 1 8 "Average Difference" HA 33 0.779 0.288 0.736 17543 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17543 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 17543 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 17543 48 1 8 "Average Difference" HN 29 0.649 0.001 0.660 17543 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 17543 50 1 9 "Average Difference" HA 33 0.818 0.318 0.765 17543 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17543 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 17543 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 17543 54 1 9 "Average Difference" HN 29 0.654 -0.023 0.665 17543 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 17543 56 1 10 "Average Difference" HA 33 0.782 0.298 0.734 17543 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17543 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 17543 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 17543 60 1 10 "Average Difference" HN 29 0.623 -0.058 0.631 17543 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 17543 62 1 11 "Average Difference" HA 33 0.795 0.270 0.759 17543 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17543 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 17543 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 17543 66 1 11 "Average Difference" HN 29 0.640 -0.041 0.650 17543 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 17543 68 1 12 "Average Difference" HA 33 0.808 0.295 0.764 17543 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17543 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 17543 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 17543 72 1 12 "Average Difference" HN 29 0.732 -0.021 0.744 17543 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 17543 74 1 13 "Average Difference" HA 33 0.796 0.283 0.756 17543 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17543 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 17543 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 17543 78 1 13 "Average Difference" HN 29 0.678 0.044 0.688 17543 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 17543 80 1 14 "Average Difference" HA 33 0.799 0.333 0.737 17543 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17543 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 17543 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 17543 84 1 14 "Average Difference" HN 29 0.672 0.003 0.684 17543 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 17543 86 1 15 "Average Difference" HA 33 0.792 0.305 0.742 17543 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17543 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 17543 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 17543 90 1 15 "Average Difference" HN 29 0.662 -0.016 0.674 17543 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 17543 92 1 16 "Average Difference" HA 33 0.796 0.277 0.758 17543 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17543 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 17543 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 17543 96 1 16 "Average Difference" HN 29 0.770 0.051 0.782 17543 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 17543 98 1 17 "Average Difference" HA 33 0.802 0.299 0.756 17543 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17543 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 17543 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 17543 102 1 17 "Average Difference" HN 29 0.643 0.007 0.655 17543 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 17543 104 1 18 "Average Difference" HA 33 0.793 0.322 0.735 17543 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17543 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 17543 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 17543 108 1 18 "Average Difference" HN 29 0.682 -0.069 0.690 17543 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 17543 110 1 19 "Average Difference" HA 33 0.799 0.270 0.764 17543 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17543 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 17543 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 17543 114 1 19 "Average Difference" HN 29 0.633 -0.048 0.642 17543 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 17543 116 1 20 "Average Difference" HA 33 0.798 0.279 0.759 17543 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17543 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 17543 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 17543 120 1 20 "Average Difference" HN 29 0.717 -0.005 0.730 17543 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 17543 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 GLY H H 280 8.122 8.122 8.316 -0.194 17543 2 1 . 1 1 3 3 PRO HA H 281 3.960 3.960 4.609 -0.649 17543 3 1 . 1 1 4 4 LEU HA H 282 4.301 4.301 4.430 -0.129 17543 4 1 . 1 1 4 4 LEU H H 282 7.607 7.607 8.065 -0.458 17543 5 1 . 1 1 5 5 PRO HA H 283 4.499 4.499 4.560 -0.061 17543 6 1 . 1 1 6 6 PRO HA H 284 4.249 4.249 4.327 -0.078 17543 7 1 . 1 1 7 7 GLY H H 285 8.834 8.834 8.607 0.227 17543 8 1 . 1 1 8 8 TRP HA H 286 5.823 5.823 4.636 1.187 17543 9 1 . 1 1 8 8 TRP H H 286 7.512 7.512 7.862 -0.350 17543 10 1 . 1 1 9 9 GLU HA H 287 4.565 4.565 4.488 0.077 17543 11 1 . 1 1 9 9 GLU H H 287 9.279 9.279 8.002 1.277 17543 12 1 . 1 1 10 10 VAL HA H 288 4.342 4.342 3.648 0.694 17543 13 1 . 1 1 10 10 VAL H H 288 8.343 8.343 8.539 -0.196 17543 14 1 . 1 1 11 11 ARG HA H 289 4.246 4.246 4.458 -0.212 17543 15 1 . 1 1 11 11 ARG H H 289 8.146 8.146 7.536 0.610 17543 16 1 . 1 1 12 12 SER HA H 290 5.389 5.389 4.837 0.552 17543 17 1 . 1 1 12 12 SER H H 290 7.932 7.932 8.248 -0.316 17543 18 1 . 1 1 13 13 THR HA H 291 4.539 4.539 4.724 -0.185 17543 19 1 . 1 1 13 13 THR H H 291 9.241 9.241 8.333 0.907 17543 20 1 . 1 1 14 14 VAL HA H 292 3.754 3.754 3.841 -0.087 17543 21 1 . 1 1 14 14 VAL H H 292 8.922 8.922 8.638 0.284 17543 22 1 . 1 1 15 15 SER HA H 293 4.232 4.232 4.293 -0.061 17543 23 1 . 1 1 15 15 SER H H 293 8.371 8.371 7.947 0.424 17543 24 1 . 1 1 16 16 GLY H H 294 7.875 7.875 8.062 -0.187 17543 25 1 . 1 1 17 17 ARG HA H 295 4.220 4.220 4.765 -0.545 17543 26 1 . 1 1 17 17 ARG H H 295 7.416 7.416 7.623 -0.207 17543 27 1 . 1 1 18 18 ILE HA H 296 4.406 4.406 4.339 0.067 17543 28 1 . 1 1 18 18 ILE H H 296 8.385 8.385 8.720 -0.335 17543 29 1 . 1 1 19 19 TYR HA H 297 4.679 4.679 5.089 -0.410 17543 30 1 . 1 1 19 19 TYR H H 297 8.638 8.638 7.860 0.778 17543 31 1 . 1 1 20 20 PHE HA H 298 4.965 4.965 4.444 0.521 17543 32 1 . 1 1 20 20 PHE H H 298 8.897 8.897 8.730 0.167 17543 33 1 . 1 1 21 21 VAL HA H 299 4.105 4.105 4.567 -0.462 17543 34 1 . 1 1 21 21 VAL H H 299 9.228 9.228 8.223 1.005 17543 35 1 . 1 1 22 22 ASP HA H 300 3.312 3.312 4.858 -1.546 17543 36 1 . 1 1 22 22 ASP H H 300 7.999 7.999 8.028 -0.029 17543 37 1 . 1 1 23 23 HIS HA H 301 4.136 4.136 4.417 -0.281 17543 38 1 . 1 1 23 23 HIS H H 301 8.519 8.519 8.073 0.446 17543 39 1 . 1 1 24 24 ASN HA H 302 4.180 4.180 4.676 -0.496 17543 40 1 . 1 1 24 24 ASN H H 302 8.259 8.259 8.408 -0.149 17543 41 1 . 1 1 25 25 ASN HA H 303 4.411 4.411 4.697 -0.286 17543 42 1 . 1 1 25 25 ASN H H 303 6.616 6.616 8.644 -2.028 17543 43 1 . 1 1 26 26 ARG HA H 304 1.995 1.995 4.149 -2.154 17543 44 1 . 1 1 26 26 ARG H H 304 7.958 7.958 7.828 0.130 17543 45 1 . 1 1 27 27 THR HA H 305 4.531 4.531 4.573 -0.042 17543 46 1 . 1 1 27 27 THR H H 305 6.815 6.815 7.881 -1.066 17543 47 1 . 1 1 28 28 THR HA H 306 5.280 5.280 5.184 0.096 17543 48 1 . 1 1 28 28 THR H H 306 7.982 7.982 8.261 -0.279 17543 49 1 . 1 1 29 29 GLN HA H 307 4.654 4.654 4.623 0.031 17543 50 1 . 1 1 29 29 GLN H H 307 8.973 8.973 8.152 0.821 17543 51 1 . 1 1 30 30 PHE HA H 308 4.887 4.887 4.801 0.086 17543 52 1 . 1 1 30 30 PHE H H 308 9.263 9.263 8.929 0.334 17543 53 1 . 1 1 31 31 THR HA H 309 4.123 4.123 4.435 -0.312 17543 54 1 . 1 1 31 31 THR H H 309 7.231 7.231 7.836 -0.605 17543 55 1 . 1 1 32 32 ASP HA H 310 2.514 2.514 5.369 -2.855 17543 56 1 . 1 1 32 32 ASP H H 310 8.346 8.346 8.656 -0.310 17543 57 1 . 1 1 33 33 PRO HA H 311 3.696 3.696 4.509 -0.813 17543 58 1 . 1 1 34 34 ARG HA H 312 3.675 3.675 4.346 -0.671 17543 59 1 . 1 1 34 34 ARG H H 312 8.394 8.394 8.575 -0.181 17543 stop_ save_