data_25934 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25934 _Entry.PDB_ID 2NAB 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 25934 _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 5 5 VAL N N 5 122.612 122.612 121.013 1.599 25934 2 1 1 . 1 1 5 5 VAL HA H 5 4.134 4.134 4.356 -0.222 25934 3 1 1 . 1 1 5 5 VAL H H 5 8.326 8.326 7.507 0.819 25934 4 1 1 . 1 1 6 6 GLN N N 6 125.548 125.548 125.374 0.174 25934 5 1 1 . 1 1 6 6 GLN HA H 6 4.454 4.454 4.368 0.086 25934 6 1 1 . 1 1 6 6 GLN H H 6 8.635 8.635 8.504 0.131 25934 7 1 1 . 1 1 7 7 THR N N 7 116.430 116.430 118.862 -2.432 25934 8 1 1 . 1 1 7 7 THR HA H 7 4.394 4.394 4.473 -0.079 25934 9 1 1 . 1 1 7 7 THR H H 7 8.307 8.307 7.948 0.359 25934 10 1 1 . 1 1 8 8 SER N N 8 118.551 118.551 121.812 -3.261 25934 11 1 1 . 1 1 8 8 SER HA H 8 4.467 4.467 4.627 -0.160 25934 12 1 1 . 1 1 8 8 SER H H 8 8.345 8.345 8.859 -0.514 25934 13 1 1 . 1 1 9 9 GLN N N 9 123.019 123.019 119.130 3.889 25934 14 1 1 . 1 1 9 9 GLN HA H 9 4.280 4.280 4.100 0.180 25934 15 1 1 . 1 1 9 9 GLN H H 9 8.338 8.338 7.512 0.826 25934 16 1 1 . 1 1 10 10 LYS N N 10 123.679 123.679 119.421 4.258 25934 17 1 1 . 1 1 10 10 LYS HA H 10 4.199 4.199 4.526 -0.327 25934 18 1 1 . 1 1 10 10 LYS H H 10 8.258 8.258 7.259 0.999 25934 19 1 1 . 1 1 11 11 SER N N 11 115.557 115.557 116.518 -0.961 25934 20 1 1 . 1 1 11 11 SER HA H 11 4.534 4.534 4.446 0.088 25934 21 1 1 . 1 1 11 11 SER H H 11 7.659 7.659 7.967 -0.308 25934 22 1 1 . 1 1 12 12 TYR N N 12 122.532 122.532 121.995 0.537 25934 23 1 1 . 1 1 12 12 TYR HA H 12 4.220 4.220 4.326 -0.106 25934 24 1 1 . 1 1 12 12 TYR H H 12 8.585 8.585 7.374 1.211 25934 25 1 1 . 1 1 13 13 VAL N N 13 123.674 123.674 124.364 -0.690 25934 26 1 1 . 1 1 13 13 VAL HA H 13 4.801 4.801 5.226 -0.425 25934 27 1 1 . 1 1 13 13 VAL H H 13 8.253 8.253 8.280 -0.028 25934 28 1 1 . 1 1 14 14 CYS N N 14 131.181 131.181 128.664 2.517 25934 29 1 1 . 1 1 14 14 CYS HA H 14 5.078 5.078 5.128 -0.050 25934 30 1 1 . 1 1 14 14 CYS H H 14 9.362 9.362 8.985 0.377 25934 31 1 1 . 1 1 15 15 PRO HA H 15 2.458 2.458 4.342 -1.884 25934 32 1 1 . 1 1 16 16 ASN N N 16 119.946 119.946 114.712 5.234 25934 33 1 1 . 1 1 16 16 ASN HA H 16 4.889 4.889 4.700 0.189 25934 34 1 1 . 1 1 16 16 ASN H H 16 9.104 9.104 8.451 0.653 25934 35 1 1 . 1 1 17 17 CYS N N 17 117.298 117.298 116.265 1.033 25934 36 1 1 . 1 1 17 17 CYS HA H 17 5.136 5.136 4.797 0.339 25934 37 1 1 . 1 1 17 17 CYS H H 17 8.202 8.202 7.844 0.358 25934 38 1 1 . 1 1 18 18 GLY N N 18 113.723 113.723 109.523 4.200 25934 39 1 1 . 1 1 18 18 GLY H H 18 8.092 8.092 8.652 -0.560 25934 40 1 1 . 1 1 19 19 LYS N N 19 124.529 124.529 120.131 4.398 25934 41 1 1 . 1 1 19 19 LYS HA H 19 3.963 3.963 4.295 -0.332 25934 42 1 1 . 1 1 19 19 LYS H H 19 8.396 8.396 7.649 0.747 25934 43 1 1 . 1 1 20 20 ILE N N 20 122.902 122.902 125.166 -2.264 25934 44 1 1 . 1 1 20 20 ILE HA H 20 4.619 4.619 4.675 -0.056 25934 45 1 1 . 1 1 20 20 ILE H H 20 7.793 7.793 8.226 -0.433 25934 46 1 1 . 1 1 21 21 PHE N N 21 126.244 126.244 125.817 0.427 25934 47 1 1 . 1 1 21 21 PHE HA H 21 4.760 4.760 4.868 -0.108 25934 48 1 1 . 1 1 21 21 PHE H H 21 9.361 9.361 8.928 0.433 25934 49 1 1 . 1 1 22 22 ARG N N 22 125.051 125.051 121.599 3.452 25934 50 1 1 . 1 1 22 22 ARG HA H 22 4.407 4.407 4.320 0.087 25934 51 1 1 . 1 1 22 22 ARG H H 22 9.016 9.016 8.622 0.394 25934 52 1 1 . 1 1 23 23 TRP N N 23 118.871 118.871 117.245 1.626 25934 53 1 1 . 1 1 23 23 TRP HA H 23 5.328 5.328 4.785 0.543 25934 54 1 1 . 1 1 23 23 TRP H H 23 7.986 7.986 7.744 0.242 25934 55 1 1 . 1 1 24 24 ARG N N 24 130.190 130.190 121.442 8.748 25934 56 1 1 . 1 1 24 24 ARG HA H 24 3.041 3.041 3.636 -0.595 25934 57 1 1 . 1 1 24 24 ARG H H 24 9.358 9.358 8.790 0.568 25934 58 1 1 . 1 1 25 25 VAL N N 25 115.735 115.735 117.347 -1.612 25934 59 1 1 . 1 1 25 25 VAL HA H 25 3.802 3.802 3.752 0.050 25934 60 1 1 . 1 1 25 25 VAL H H 25 8.598 8.598 8.221 0.377 25934 61 1 1 . 1 1 26 26 ASN N N 26 119.272 119.272 117.246 2.026 25934 62 1 1 . 1 1 26 26 ASN HA H 26 4.613 4.613 4.494 0.119 25934 63 1 1 . 1 1 26 26 ASN H H 26 6.907 6.907 8.451 -1.544 25934 64 1 1 . 1 1 27 27 PHE N N 27 124.971 124.971 122.720 2.251 25934 65 1 1 . 1 1 27 27 PHE HA H 27 3.013 3.013 3.216 -0.203 25934 66 1 1 . 1 1 27 27 PHE H H 27 7.487 7.487 7.203 0.284 25934 67 1 1 . 1 1 28 28 ILE N N 28 119.280 119.280 118.478 0.802 25934 68 1 1 . 1 1 28 28 ILE HA H 28 3.277 3.277 3.476 -0.199 25934 69 1 1 . 1 1 28 28 ILE H H 28 8.458 8.458 8.566 -0.108 25934 70 1 1 . 1 1 29 29 ARG N N 29 119.668 119.668 120.275 -0.607 25934 71 1 1 . 1 1 29 29 ARG HA H 29 3.900 3.900 3.855 0.045 25934 72 1 1 . 1 1 29 29 ARG H H 29 7.577 7.577 7.628 -0.051 25934 73 1 1 . 1 1 30 30 HIS N N 30 120.050 120.050 118.970 1.080 25934 74 1 1 . 1 1 30 30 HIS HA H 30 4.258 4.258 4.244 0.014 25934 75 1 1 . 1 1 30 30 HIS H H 30 7.620 7.620 7.769 -0.149 25934 76 1 1 . 1 1 31 31 LEU N N 31 120.143 120.143 117.191 2.952 25934 77 1 1 . 1 1 31 31 LEU HA H 31 3.773 3.773 3.931 -0.158 25934 78 1 1 . 1 1 31 31 LEU H H 31 8.005 8.005 7.864 0.141 25934 79 1 1 . 1 1 32 32 ARG N N 32 118.157 118.157 120.006 -1.849 25934 80 1 1 . 1 1 32 32 ARG HA H 32 4.066 4.066 4.082 -0.016 25934 81 1 1 . 1 1 32 32 ARG H H 32 7.975 7.975 8.065 -0.089 25934 82 1 1 . 1 1 33 33 SER N N 33 115.082 115.082 114.146 0.936 25934 83 1 1 . 1 1 33 33 SER HA H 33 4.327 4.327 4.463 -0.136 25934 84 1 1 . 1 1 33 33 SER H H 33 7.754 7.754 7.674 0.080 25934 85 1 1 . 1 1 34 34 ARG N N 34 121.862 121.862 121.995 -0.133 25934 86 1 1 . 1 1 34 34 ARG HA H 34 4.190 4.190 3.960 0.230 25934 87 1 1 . 1 1 34 34 ARG H H 34 7.558 7.558 7.334 0.224 25934 88 1 1 . 1 1 35 35 ARG N N 35 121.550 121.550 118.479 3.071 25934 89 1 1 . 1 1 35 35 ARG HA H 35 4.284 4.284 4.106 0.178 25934 90 1 1 . 1 1 35 35 ARG H H 35 8.030 8.030 7.390 0.640 25934 91 1 1 . 1 1 36 36 GLU N N 36 122.012 122.012 117.921 4.091 25934 92 1 1 . 1 1 36 36 GLU HA H 36 4.318 4.318 4.360 -0.042 25934 93 1 1 . 1 1 36 36 GLU H H 36 8.274 8.274 7.650 0.624 25934 94 1 1 . 1 1 37 37 GLN N N 37 121.601 121.601 119.174 2.427 25934 95 1 1 . 1 1 37 37 GLN HA H 37 4.269 4.269 4.475 -0.206 25934 96 1 1 . 1 1 37 37 GLN H H 37 8.238 8.238 7.514 0.724 25934 97 1 1 . 1 1 38 38 LYS N N 38 124.607 124.607 119.239 5.368 25934 98 1 1 . 1 1 38 38 LYS HA H 38 4.595 4.595 4.767 -0.172 25934 99 1 1 . 1 1 38 38 LYS H H 38 8.348 8.348 8.303 0.045 25934 100 1 1 . 1 1 39 39 PRO HA H 39 4.416 4.416 4.235 0.181 25934 101 1 1 . 1 1 40 40 HIS N N 40 120.882 120.882 113.468 7.414 25934 102 1 1 . 1 1 40 40 HIS HA H 40 4.639 4.639 4.543 0.096 25934 103 1 1 . 1 1 40 40 HIS H H 40 8.565 8.565 7.813 0.752 25934 104 1 2 . 1 1 5 5 VAL N N 5 122.612 122.612 117.734 4.878 25934 105 1 2 . 1 1 5 5 VAL HA H 5 4.134 4.134 4.059 0.075 25934 106 1 2 . 1 1 5 5 VAL H H 5 8.326 8.326 7.677 0.649 25934 107 1 2 . 1 1 6 6 GLN N N 6 125.548 125.548 120.323 5.225 25934 108 1 2 . 1 1 6 6 GLN HA H 6 4.454 4.454 4.208 0.246 25934 109 1 2 . 1 1 6 6 GLN H H 6 8.635 8.635 8.095 0.540 25934 110 1 2 . 1 1 7 7 THR N N 7 116.430 116.430 120.165 -3.735 25934 111 1 2 . 1 1 7 7 THR HA H 7 4.394 4.394 4.404 -0.010 25934 112 1 2 . 1 1 7 7 THR H H 7 8.307 8.307 8.236 0.071 25934 113 1 2 . 1 1 8 8 SER N N 8 118.551 118.551 118.479 0.072 25934 114 1 2 . 1 1 8 8 SER HA H 8 4.467 4.467 4.531 -0.064 25934 115 1 2 . 1 1 8 8 SER H H 8 8.345 8.345 8.087 0.258 25934 116 1 2 . 1 1 9 9 GLN N N 9 123.019 123.019 116.699 6.320 25934 117 1 2 . 1 1 9 9 GLN HA H 9 4.280 4.280 3.883 0.397 25934 118 1 2 . 1 1 9 9 GLN H H 9 8.338 8.338 8.553 -0.215 25934 119 1 2 . 1 1 10 10 LYS N N 10 123.679 123.679 120.566 3.113 25934 120 1 2 . 1 1 10 10 LYS HA H 10 4.199 4.199 4.152 0.047 25934 121 1 2 . 1 1 10 10 LYS H H 10 8.258 8.258 8.161 0.097 25934 122 1 2 . 1 1 11 11 SER N N 11 115.557 115.557 117.271 -1.714 25934 123 1 2 . 1 1 11 11 SER HA H 11 4.534 4.534 4.305 0.229 25934 124 1 2 . 1 1 11 11 SER H H 11 7.659 7.659 7.539 0.120 25934 125 1 2 . 1 1 12 12 TYR N N 12 122.532 122.532 126.175 -3.643 25934 126 1 2 . 1 1 12 12 TYR HA H 12 4.220 4.220 4.267 -0.047 25934 127 1 2 . 1 1 12 12 TYR H H 12 8.585 8.585 8.846 -0.261 25934 128 1 2 . 1 1 13 13 VAL N N 13 123.674 123.674 124.982 -1.308 25934 129 1 2 . 1 1 13 13 VAL HA H 13 4.801 4.801 4.939 -0.138 25934 130 1 2 . 1 1 13 13 VAL H H 13 8.253 8.253 8.460 -0.207 25934 131 1 2 . 1 1 14 14 CYS N N 14 131.181 131.181 129.417 1.764 25934 132 1 2 . 1 1 14 14 CYS HA H 14 5.078 5.078 5.061 0.017 25934 133 1 2 . 1 1 14 14 CYS H H 14 9.362 9.362 9.224 0.138 25934 134 1 2 . 1 1 15 15 PRO HA H 15 2.458 2.458 4.410 -1.952 25934 135 1 2 . 1 1 16 16 ASN N N 16 119.946 119.946 116.410 3.536 25934 136 1 2 . 1 1 16 16 ASN HA H 16 4.889 4.889 4.756 0.133 25934 137 1 2 . 1 1 16 16 ASN H H 16 9.104 9.104 8.100 1.004 25934 138 1 2 . 1 1 17 17 CYS N N 17 117.298 117.298 116.295 1.003 25934 139 1 2 . 1 1 17 17 CYS HA H 17 5.136 5.136 4.768 0.368 25934 140 1 2 . 1 1 17 17 CYS H H 17 8.202 8.202 7.669 0.533 25934 141 1 2 . 1 1 18 18 GLY N N 18 113.723 113.723 109.315 4.408 25934 142 1 2 . 1 1 18 18 GLY H H 18 8.092 8.092 8.658 -0.566 25934 143 1 2 . 1 1 19 19 LYS N N 19 124.529 124.529 120.866 3.663 25934 144 1 2 . 1 1 19 19 LYS HA H 19 3.963 3.963 4.237 -0.274 25934 145 1 2 . 1 1 19 19 LYS H H 19 8.396 8.396 7.918 0.478 25934 146 1 2 . 1 1 20 20 ILE N N 20 122.902 122.902 125.294 -2.392 25934 147 1 2 . 1 1 20 20 ILE HA H 20 4.619 4.619 5.116 -0.497 25934 148 1 2 . 1 1 20 20 ILE H H 20 7.793 7.793 8.043 -0.250 25934 149 1 2 . 1 1 21 21 PHE N N 21 126.244 126.244 126.167 0.077 25934 150 1 2 . 1 1 21 21 PHE HA H 21 4.760 4.760 4.881 -0.121 25934 151 1 2 . 1 1 21 21 PHE H H 21 9.361 9.361 9.164 0.197 25934 152 1 2 . 1 1 22 22 ARG N N 22 125.051 125.051 121.991 3.060 25934 153 1 2 . 1 1 22 22 ARG HA H 22 4.407 4.407 4.615 -0.208 25934 154 1 2 . 1 1 22 22 ARG H H 22 9.016 9.016 8.798 0.218 25934 155 1 2 . 1 1 23 23 TRP N N 23 118.871 118.871 119.448 -0.577 25934 156 1 2 . 1 1 23 23 TRP HA H 23 5.328 5.328 4.939 0.389 25934 157 1 2 . 1 1 23 23 TRP H H 23 7.986 7.986 8.028 -0.042 25934 158 1 2 . 1 1 24 24 ARG N N 24 130.190 130.190 124.310 5.880 25934 159 1 2 . 1 1 24 24 ARG HA H 24 3.041 3.041 3.671 -0.630 25934 160 1 2 . 1 1 24 24 ARG H H 24 9.358 9.358 8.989 0.369 25934 161 1 2 . 1 1 25 25 VAL N N 25 115.735 115.735 118.002 -2.267 25934 162 1 2 . 1 1 25 25 VAL HA H 25 3.802 3.802 3.845 -0.043 25934 163 1 2 . 1 1 25 25 VAL H H 25 8.598 8.598 8.188 0.410 25934 164 1 2 . 1 1 26 26 ASN N N 26 119.272 119.272 117.219 2.053 25934 165 1 2 . 1 1 26 26 ASN HA H 26 4.613 4.613 4.472 0.141 25934 166 1 2 . 1 1 26 26 ASN H H 26 6.907 6.907 8.433 -1.526 25934 167 1 2 . 1 1 27 27 PHE N N 27 124.971 124.971 122.658 2.313 25934 168 1 2 . 1 1 27 27 PHE HA H 27 3.013 3.013 3.474 -0.461 25934 169 1 2 . 1 1 27 27 PHE H H 27 7.487 7.487 7.494 -0.007 25934 170 1 2 . 1 1 28 28 ILE N N 28 119.280 119.280 118.583 0.697 25934 171 1 2 . 1 1 28 28 ILE HA H 28 3.277 3.277 3.455 -0.178 25934 172 1 2 . 1 1 28 28 ILE H H 28 8.458 8.458 8.614 -0.156 25934 173 1 2 . 1 1 29 29 ARG N N 29 119.668 119.668 120.581 -0.913 25934 174 1 2 . 1 1 29 29 ARG HA H 29 3.900 3.900 3.896 0.004 25934 175 1 2 . 1 1 29 29 ARG H H 29 7.577 7.577 7.569 0.008 25934 176 1 2 . 1 1 30 30 HIS N N 30 120.050 120.050 118.520 1.530 25934 177 1 2 . 1 1 30 30 HIS HA H 30 4.258 4.258 4.286 -0.028 25934 178 1 2 . 1 1 30 30 HIS H H 30 7.620 7.620 7.677 -0.057 25934 179 1 2 . 1 1 31 31 LEU N N 31 120.143 120.143 117.812 2.331 25934 180 1 2 . 1 1 31 31 LEU HA H 31 3.773 3.773 3.865 -0.092 25934 181 1 2 . 1 1 31 31 LEU H H 31 8.005 8.005 8.042 -0.037 25934 182 1 2 . 1 1 32 32 ARG N N 32 118.157 118.157 121.000 -2.843 25934 183 1 2 . 1 1 32 32 ARG HA H 32 4.066 4.066 3.957 0.109 25934 184 1 2 . 1 1 32 32 ARG H H 32 7.975 7.975 8.243 -0.268 25934 185 1 2 . 1 1 33 33 SER N N 33 115.082 115.082 113.485 1.597 25934 186 1 2 . 1 1 33 33 SER HA H 33 4.327 4.327 4.538 -0.211 25934 187 1 2 . 1 1 33 33 SER H H 33 7.754 7.754 7.645 0.109 25934 188 1 2 . 1 1 34 34 ARG N N 34 121.862 121.862 120.372 1.490 25934 189 1 2 . 1 1 34 34 ARG HA H 34 4.190 4.190 4.011 0.179 25934 190 1 2 . 1 1 34 34 ARG H H 34 7.558 7.558 7.126 0.432 25934 191 1 2 . 1 1 35 35 ARG N N 35 121.550 121.550 116.761 4.789 25934 192 1 2 . 1 1 35 35 ARG HA H 35 4.284 4.284 3.879 0.405 25934 193 1 2 . 1 1 35 35 ARG H H 35 8.030 8.030 8.899 -0.869 25934 194 1 2 . 1 1 36 36 GLU N N 36 122.012 122.012 118.654 3.358 25934 195 1 2 . 1 1 36 36 GLU HA H 36 4.318 4.318 4.516 -0.198 25934 196 1 2 . 1 1 36 36 GLU H H 36 8.274 8.274 8.070 0.204 25934 197 1 2 . 1 1 37 37 GLN N N 37 121.601 121.601 122.176 -0.575 25934 198 1 2 . 1 1 37 37 GLN HA H 37 4.269 4.269 4.395 -0.126 25934 199 1 2 . 1 1 37 37 GLN H H 37 8.238 8.238 8.472 -0.234 25934 200 1 2 . 1 1 38 38 LYS N N 38 124.607 124.607 121.387 3.220 25934 201 1 2 . 1 1 38 38 LYS HA H 38 4.595 4.595 4.601 -0.006 25934 202 1 2 . 1 1 38 38 LYS H H 38 8.348 8.348 8.254 0.094 25934 203 1 2 . 1 1 39 39 PRO HA H 39 4.416 4.416 4.263 0.153 25934 204 1 2 . 1 1 40 40 HIS N N 40 120.882 120.882 121.608 -0.726 25934 205 1 2 . 1 1 40 40 HIS HA H 40 4.639 4.639 4.573 0.066 25934 206 1 2 . 1 1 40 40 HIS H H 40 8.565 8.565 8.865 -0.300 25934 207 1 3 . 1 1 5 5 VAL N N 5 122.612 122.612 121.893 0.719 25934 208 1 3 . 1 1 5 5 VAL HA H 5 4.134 4.134 4.137 -0.003 25934 209 1 3 . 1 1 5 5 VAL H H 5 8.326 8.326 7.918 0.408 25934 210 1 3 . 1 1 6 6 GLN N N 6 125.548 125.548 125.978 -0.430 25934 211 1 3 . 1 1 6 6 GLN HA H 6 4.454 4.454 4.254 0.200 25934 212 1 3 . 1 1 6 6 GLN H H 6 8.635 8.635 8.624 0.011 25934 213 1 3 . 1 1 7 7 THR N N 7 116.430 116.430 116.430 0.000 25934 214 1 3 . 1 1 7 7 THR HA H 7 4.394 4.394 4.467 -0.073 25934 215 1 3 . 1 1 7 7 THR H H 7 8.307 8.307 7.836 0.471 25934 216 1 3 . 1 1 8 8 SER N N 8 118.551 118.551 117.062 1.489 25934 217 1 3 . 1 1 8 8 SER HA H 8 4.467 4.467 4.496 -0.029 25934 218 1 3 . 1 1 8 8 SER H H 8 8.345 8.345 8.507 -0.162 25934 219 1 3 . 1 1 9 9 GLN N N 9 123.019 123.019 121.461 1.558 25934 220 1 3 . 1 1 9 9 GLN HA H 9 4.280 4.280 4.348 -0.068 25934 221 1 3 . 1 1 9 9 GLN H H 9 8.338 8.338 7.509 0.829 25934 222 1 3 . 1 1 10 10 LYS N N 10 123.679 123.679 116.509 7.170 25934 223 1 3 . 1 1 10 10 LYS HA H 10 4.199 4.199 4.948 -0.749 25934 224 1 3 . 1 1 10 10 LYS H H 10 8.258 8.258 7.188 1.070 25934 225 1 3 . 1 1 11 11 SER N N 11 115.557 115.557 115.390 0.167 25934 226 1 3 . 1 1 11 11 SER HA H 11 4.534 4.534 4.426 0.108 25934 227 1 3 . 1 1 11 11 SER H H 11 7.659 7.659 7.839 -0.180 25934 228 1 3 . 1 1 12 12 TYR N N 12 122.532 122.532 121.455 1.077 25934 229 1 3 . 1 1 12 12 TYR HA H 12 4.220 4.220 4.333 -0.113 25934 230 1 3 . 1 1 12 12 TYR H H 12 8.585 8.585 7.135 1.450 25934 231 1 3 . 1 1 13 13 VAL N N 13 123.674 123.674 124.025 -0.351 25934 232 1 3 . 1 1 13 13 VAL HA H 13 4.801 4.801 5.081 -0.280 25934 233 1 3 . 1 1 13 13 VAL H H 13 8.253 8.253 8.370 -0.117 25934 234 1 3 . 1 1 14 14 CYS N N 14 131.181 131.181 128.910 2.271 25934 235 1 3 . 1 1 14 14 CYS HA H 14 5.078 5.078 5.032 0.046 25934 236 1 3 . 1 1 14 14 CYS H H 14 9.362 9.362 8.982 0.380 25934 237 1 3 . 1 1 15 15 PRO HA H 15 2.458 2.458 4.356 -1.898 25934 238 1 3 . 1 1 16 16 ASN N N 16 119.946 119.946 114.709 5.237 25934 239 1 3 . 1 1 16 16 ASN HA H 16 4.889 4.889 4.688 0.201 25934 240 1 3 . 1 1 16 16 ASN H H 16 9.104 9.104 8.170 0.934 25934 241 1 3 . 1 1 17 17 CYS N N 17 117.298 117.298 115.687 1.611 25934 242 1 3 . 1 1 17 17 CYS HA H 17 5.136 5.136 4.891 0.245 25934 243 1 3 . 1 1 17 17 CYS H H 17 8.202 8.202 7.708 0.494 25934 244 1 3 . 1 1 18 18 GLY N N 18 113.723 113.723 109.450 4.273 25934 245 1 3 . 1 1 18 18 GLY H H 18 8.092 8.092 8.657 -0.565 25934 246 1 3 . 1 1 19 19 LYS N N 19 124.529 124.529 120.653 3.876 25934 247 1 3 . 1 1 19 19 LYS HA H 19 3.963 3.963 4.229 -0.266 25934 248 1 3 . 1 1 19 19 LYS H H 19 8.396 8.396 7.855 0.541 25934 249 1 3 . 1 1 20 20 ILE N N 20 122.902 122.902 124.553 -1.651 25934 250 1 3 . 1 1 20 20 ILE HA H 20 4.619 4.619 4.962 -0.343 25934 251 1 3 . 1 1 20 20 ILE H H 20 7.793 7.793 8.035 -0.242 25934 252 1 3 . 1 1 21 21 PHE N N 21 126.244 126.244 125.758 0.486 25934 253 1 3 . 1 1 21 21 PHE HA H 21 4.760 4.760 4.813 -0.053 25934 254 1 3 . 1 1 21 21 PHE H H 21 9.361 9.361 8.546 0.815 25934 255 1 3 . 1 1 22 22 ARG N N 22 125.051 125.051 122.029 3.022 25934 256 1 3 . 1 1 22 22 ARG HA H 22 4.407 4.407 4.528 -0.121 25934 257 1 3 . 1 1 22 22 ARG H H 22 9.016 9.016 8.641 0.375 25934 258 1 3 . 1 1 23 23 TRP N N 23 118.871 118.871 118.325 0.546 25934 259 1 3 . 1 1 23 23 TRP HA H 23 5.328 5.328 4.800 0.528 25934 260 1 3 . 1 1 23 23 TRP H H 23 7.986 7.986 7.819 0.167 25934 261 1 3 . 1 1 24 24 ARG N N 24 130.190 130.190 123.183 7.007 25934 262 1 3 . 1 1 24 24 ARG HA H 24 3.041 3.041 3.828 -0.787 25934 263 1 3 . 1 1 24 24 ARG H H 24 9.358 9.358 8.854 0.504 25934 264 1 3 . 1 1 25 25 VAL N N 25 115.735 115.735 119.372 -3.637 25934 265 1 3 . 1 1 25 25 VAL HA H 25 3.802 3.802 3.795 0.007 25934 266 1 3 . 1 1 25 25 VAL H H 25 8.598 8.598 8.292 0.306 25934 267 1 3 . 1 1 26 26 ASN N N 26 119.272 119.272 118.002 1.270 25934 268 1 3 . 1 1 26 26 ASN HA H 26 4.613 4.613 4.514 0.098 25934 269 1 3 . 1 1 26 26 ASN H H 26 6.907 6.907 8.363 -1.456 25934 270 1 3 . 1 1 27 27 PHE N N 27 124.971 124.971 122.887 2.084 25934 271 1 3 . 1 1 27 27 PHE HA H 27 3.013 3.013 3.168 -0.155 25934 272 1 3 . 1 1 27 27 PHE H H 27 7.487 7.487 7.577 -0.090 25934 273 1 3 . 1 1 28 28 ILE N N 28 119.280 119.280 117.912 1.368 25934 274 1 3 . 1 1 28 28 ILE HA H 28 3.277 3.277 3.475 -0.198 25934 275 1 3 . 1 1 28 28 ILE H H 28 8.458 8.458 8.692 -0.234 25934 276 1 3 . 1 1 29 29 ARG N N 29 119.668 119.668 120.109 -0.441 25934 277 1 3 . 1 1 29 29 ARG HA H 29 3.900 3.900 3.888 0.012 25934 278 1 3 . 1 1 29 29 ARG H H 29 7.577 7.577 7.485 0.092 25934 279 1 3 . 1 1 30 30 HIS N N 30 120.050 120.050 118.563 1.487 25934 280 1 3 . 1 1 30 30 HIS HA H 30 4.258 4.258 4.286 -0.028 25934 281 1 3 . 1 1 30 30 HIS H H 30 7.620 7.620 7.980 -0.360 25934 282 1 3 . 1 1 31 31 LEU N N 31 120.143 120.143 118.152 1.991 25934 283 1 3 . 1 1 31 31 LEU HA H 31 3.773 3.773 3.940 -0.167 25934 284 1 3 . 1 1 31 31 LEU H H 31 8.005 8.005 7.891 0.114 25934 285 1 3 . 1 1 32 32 ARG N N 32 118.157 118.157 119.216 -1.059 25934 286 1 3 . 1 1 32 32 ARG HA H 32 4.066 4.066 4.041 0.025 25934 287 1 3 . 1 1 32 32 ARG H H 32 7.975 7.975 7.667 0.308 25934 288 1 3 . 1 1 33 33 SER N N 33 115.082 115.082 112.014 3.068 25934 289 1 3 . 1 1 33 33 SER HA H 33 4.327 4.327 4.591 -0.264 25934 290 1 3 . 1 1 33 33 SER H H 33 7.754 7.754 7.249 0.505 25934 291 1 3 . 1 1 34 34 ARG N N 34 121.862 121.862 120.233 1.629 25934 292 1 3 . 1 1 34 34 ARG HA H 34 4.190 4.190 4.115 0.075 25934 293 1 3 . 1 1 34 34 ARG H H 34 7.558 7.558 7.461 0.097 25934 294 1 3 . 1 1 35 35 ARG N N 35 121.550 121.550 120.216 1.334 25934 295 1 3 . 1 1 35 35 ARG HA H 35 4.284 4.284 4.100 0.184 25934 296 1 3 . 1 1 35 35 ARG H H 35 8.030 8.030 7.674 0.356 25934 297 1 3 . 1 1 36 36 GLU N N 36 122.012 122.012 118.505 3.507 25934 298 1 3 . 1 1 36 36 GLU HA H 36 4.318 4.318 4.374 -0.056 25934 299 1 3 . 1 1 36 36 GLU H H 36 8.274 8.274 8.403 -0.129 25934 300 1 3 . 1 1 37 37 GLN N N 37 121.601 121.601 118.719 2.882 25934 301 1 3 . 1 1 37 37 GLN HA H 37 4.269 4.269 4.539 -0.270 25934 302 1 3 . 1 1 37 37 GLN H H 37 8.238 8.238 7.311 0.927 25934 303 1 3 . 1 1 38 38 LYS N N 38 124.607 124.607 120.753 3.854 25934 304 1 3 . 1 1 38 38 LYS HA H 38 4.595 4.595 4.736 -0.141 25934 305 1 3 . 1 1 38 38 LYS H H 38 8.348 8.348 8.378 -0.030 25934 306 1 3 . 1 1 39 39 PRO HA H 39 4.416 4.416 4.227 0.189 25934 307 1 3 . 1 1 40 40 HIS N N 40 120.882 120.882 113.365 7.517 25934 308 1 3 . 1 1 40 40 HIS HA H 40 4.639 4.639 4.552 0.087 25934 309 1 3 . 1 1 40 40 HIS H H 40 8.565 8.565 7.998 0.567 25934 310 1 4 . 1 1 5 5 VAL N N 5 122.612 122.612 122.308 0.304 25934 311 1 4 . 1 1 5 5 VAL HA H 5 4.134 4.134 4.098 0.036 25934 312 1 4 . 1 1 5 5 VAL H H 5 8.326 8.326 8.142 0.184 25934 313 1 4 . 1 1 6 6 GLN N N 6 125.548 125.548 125.172 0.376 25934 314 1 4 . 1 1 6 6 GLN HA H 6 4.454 4.454 4.672 -0.218 25934 315 1 4 . 1 1 6 6 GLN H H 6 8.635 8.635 8.611 0.024 25934 316 1 4 . 1 1 7 7 THR N N 7 116.430 116.430 117.313 -0.883 25934 317 1 4 . 1 1 7 7 THR HA H 7 4.394 4.394 4.456 -0.062 25934 318 1 4 . 1 1 7 7 THR H H 7 8.307 8.307 8.769 -0.462 25934 319 1 4 . 1 1 8 8 SER N N 8 118.551 118.551 120.808 -2.257 25934 320 1 4 . 1 1 8 8 SER HA H 8 4.467 4.467 4.158 0.309 25934 321 1 4 . 1 1 8 8 SER H H 8 8.345 8.345 8.793 -0.449 25934 322 1 4 . 1 1 9 9 GLN N N 9 123.019 123.019 119.776 3.243 25934 323 1 4 . 1 1 9 9 GLN HA H 9 4.280 4.280 4.321 -0.041 25934 324 1 4 . 1 1 9 9 GLN H H 9 8.338 8.338 7.758 0.580 25934 325 1 4 . 1 1 10 10 LYS N N 10 123.679 123.679 123.471 0.208 25934 326 1 4 . 1 1 10 10 LYS HA H 10 4.199 4.199 4.106 0.093 25934 327 1 4 . 1 1 10 10 LYS H H 10 8.258 8.258 8.378 -0.120 25934 328 1 4 . 1 1 11 11 SER N N 11 115.557 115.557 117.776 -2.219 25934 329 1 4 . 1 1 11 11 SER HA H 11 4.534 4.534 4.723 -0.189 25934 330 1 4 . 1 1 11 11 SER H H 11 7.659 7.659 7.615 0.044 25934 331 1 4 . 1 1 12 12 TYR N N 12 122.532 122.532 125.855 -3.323 25934 332 1 4 . 1 1 12 12 TYR HA H 12 4.220 4.220 4.256 -0.036 25934 333 1 4 . 1 1 12 12 TYR H H 12 8.585 8.585 8.871 -0.286 25934 334 1 4 . 1 1 13 13 VAL N N 13 123.674 123.674 124.739 -1.065 25934 335 1 4 . 1 1 13 13 VAL HA H 13 4.801 4.801 4.909 -0.108 25934 336 1 4 . 1 1 13 13 VAL H H 13 8.253 8.253 8.271 -0.018 25934 337 1 4 . 1 1 14 14 CYS N N 14 131.181 131.181 129.357 1.824 25934 338 1 4 . 1 1 14 14 CYS HA H 14 5.078 5.078 4.961 0.117 25934 339 1 4 . 1 1 14 14 CYS H H 14 9.362 9.362 9.191 0.171 25934 340 1 4 . 1 1 15 15 PRO HA H 15 2.458 2.458 4.322 -1.864 25934 341 1 4 . 1 1 16 16 ASN N N 16 119.946 119.946 115.107 4.839 25934 342 1 4 . 1 1 16 16 ASN HA H 16 4.889 4.889 4.700 0.189 25934 343 1 4 . 1 1 16 16 ASN H H 16 9.104 9.104 8.217 0.887 25934 344 1 4 . 1 1 17 17 CYS N N 17 117.298 117.298 115.226 2.072 25934 345 1 4 . 1 1 17 17 CYS HA H 17 5.136 5.136 4.894 0.242 25934 346 1 4 . 1 1 17 17 CYS H H 17 8.202 8.202 7.668 0.534 25934 347 1 4 . 1 1 18 18 GLY N N 18 113.723 113.723 109.813 3.910 25934 348 1 4 . 1 1 18 18 GLY H H 18 8.092 8.092 8.737 -0.645 25934 349 1 4 . 1 1 19 19 LYS N N 19 124.529 124.529 121.066 3.463 25934 350 1 4 . 1 1 19 19 LYS HA H 19 3.963 3.963 4.355 -0.392 25934 351 1 4 . 1 1 19 19 LYS H H 19 8.396 8.396 7.721 0.675 25934 352 1 4 . 1 1 20 20 ILE N N 20 122.902 122.902 126.232 -3.330 25934 353 1 4 . 1 1 20 20 ILE HA H 20 4.619 4.619 4.934 -0.315 25934 354 1 4 . 1 1 20 20 ILE H H 20 7.793 7.793 8.277 -0.484 25934 355 1 4 . 1 1 21 21 PHE N N 21 126.244 126.244 127.418 -1.174 25934 356 1 4 . 1 1 21 21 PHE HA H 21 4.760 4.760 4.947 -0.187 25934 357 1 4 . 1 1 21 21 PHE H H 21 9.361 9.361 9.210 0.151 25934 358 1 4 . 1 1 22 22 ARG N N 22 125.051 125.051 120.854 4.197 25934 359 1 4 . 1 1 22 22 ARG HA H 22 4.407 4.407 4.515 -0.108 25934 360 1 4 . 1 1 22 22 ARG H H 22 9.016 9.016 8.699 0.317 25934 361 1 4 . 1 1 23 23 TRP N N 23 118.871 118.871 117.103 1.768 25934 362 1 4 . 1 1 23 23 TRP HA H 23 5.328 5.328 4.961 0.367 25934 363 1 4 . 1 1 23 23 TRP H H 23 7.986 7.986 7.737 0.249 25934 364 1 4 . 1 1 24 24 ARG N N 24 130.190 130.190 121.891 8.299 25934 365 1 4 . 1 1 24 24 ARG HA H 24 3.041 3.041 3.660 -0.619 25934 366 1 4 . 1 1 24 24 ARG H H 24 9.358 9.358 8.953 0.405 25934 367 1 4 . 1 1 25 25 VAL N N 25 115.735 115.735 118.028 -2.293 25934 368 1 4 . 1 1 25 25 VAL HA H 25 3.802 3.802 3.745 0.057 25934 369 1 4 . 1 1 25 25 VAL H H 25 8.598 8.598 8.299 0.299 25934 370 1 4 . 1 1 26 26 ASN N N 26 119.272 119.272 117.926 1.346 25934 371 1 4 . 1 1 26 26 ASN HA H 26 4.613 4.613 4.468 0.145 25934 372 1 4 . 1 1 26 26 ASN H H 26 6.907 6.907 8.487 -1.580 25934 373 1 4 . 1 1 27 27 PHE N N 27 124.971 124.971 122.854 2.117 25934 374 1 4 . 1 1 27 27 PHE HA H 27 3.013 3.013 3.144 -0.131 25934 375 1 4 . 1 1 27 27 PHE H H 27 7.487 7.487 7.269 0.218 25934 376 1 4 . 1 1 28 28 ILE N N 28 119.280 119.280 118.715 0.565 25934 377 1 4 . 1 1 28 28 ILE HA H 28 3.277 3.277 3.396 -0.119 25934 378 1 4 . 1 1 28 28 ILE H H 28 8.458 8.458 8.600 -0.142 25934 379 1 4 . 1 1 29 29 ARG N N 29 119.668 119.668 120.630 -0.962 25934 380 1 4 . 1 1 29 29 ARG HA H 29 3.900 3.900 3.811 0.089 25934 381 1 4 . 1 1 29 29 ARG H H 29 7.577 7.577 8.084 -0.507 25934 382 1 4 . 1 1 30 30 HIS N N 30 120.050 120.050 119.744 0.306 25934 383 1 4 . 1 1 30 30 HIS HA H 30 4.258 4.258 4.271 -0.013 25934 384 1 4 . 1 1 30 30 HIS H H 30 7.620 7.620 7.752 -0.132 25934 385 1 4 . 1 1 31 31 LEU N N 31 120.143 120.143 116.596 3.547 25934 386 1 4 . 1 1 31 31 LEU HA H 31 3.773 3.773 3.740 0.033 25934 387 1 4 . 1 1 31 31 LEU H H 31 8.005 8.005 7.869 0.136 25934 388 1 4 . 1 1 32 32 ARG N N 32 118.157 118.157 118.251 -0.094 25934 389 1 4 . 1 1 32 32 ARG HA H 32 4.066 4.066 3.952 0.114 25934 390 1 4 . 1 1 32 32 ARG H H 32 7.975 7.975 8.009 -0.034 25934 391 1 4 . 1 1 33 33 SER N N 33 115.082 115.082 112.729 2.353 25934 392 1 4 . 1 1 33 33 SER HA H 33 4.327 4.327 4.466 -0.139 25934 393 1 4 . 1 1 33 33 SER H H 33 7.754 7.754 7.860 -0.106 25934 394 1 4 . 1 1 34 34 ARG N N 34 121.862 121.862 122.901 -1.039 25934 395 1 4 . 1 1 34 34 ARG HA H 34 4.190 4.190 4.024 0.166 25934 396 1 4 . 1 1 34 34 ARG H H 34 7.558 7.558 7.343 0.215 25934 397 1 4 . 1 1 35 35 ARG N N 35 121.550 121.550 124.667 -3.117 25934 398 1 4 . 1 1 35 35 ARG HA H 35 4.284 4.284 4.514 -0.230 25934 399 1 4 . 1 1 35 35 ARG H H 35 8.030 8.030 8.467 -0.437 25934 400 1 4 . 1 1 36 36 GLU N N 36 122.012 122.012 122.644 -0.632 25934 401 1 4 . 1 1 36 36 GLU HA H 36 4.318 4.318 4.414 -0.096 25934 402 1 4 . 1 1 36 36 GLU H H 36 8.274 8.274 8.295 -0.021 25934 403 1 4 . 1 1 37 37 GLN N N 37 121.601 121.601 120.955 0.646 25934 404 1 4 . 1 1 37 37 GLN HA H 37 4.269 4.269 4.099 0.170 25934 405 1 4 . 1 1 37 37 GLN H H 37 8.238 8.238 8.084 0.154 25934 406 1 4 . 1 1 38 38 LYS N N 38 124.607 124.607 119.738 4.869 25934 407 1 4 . 1 1 38 38 LYS HA H 38 4.595 4.595 4.713 -0.118 25934 408 1 4 . 1 1 38 38 LYS H H 38 8.348 8.348 8.379 -0.031 25934 409 1 4 . 1 1 39 39 PRO HA H 39 4.416 4.416 4.720 -0.304 25934 410 1 4 . 1 1 40 40 HIS N N 40 120.882 120.882 117.371 3.511 25934 411 1 4 . 1 1 40 40 HIS HA H 40 4.639 4.639 4.072 0.567 25934 412 1 4 . 1 1 40 40 HIS H H 40 8.565 8.565 8.488 0.077 25934 413 1 5 . 1 1 5 5 VAL N N 5 122.612 122.612 121.371 1.241 25934 414 1 5 . 1 1 5 5 VAL HA H 5 4.134 4.134 3.971 0.163 25934 415 1 5 . 1 1 5 5 VAL H H 5 8.326 8.326 7.433 0.893 25934 416 1 5 . 1 1 6 6 GLN N N 6 125.548 125.548 127.140 -1.592 25934 417 1 5 . 1 1 6 6 GLN HA H 6 4.454 4.454 4.322 0.132 25934 418 1 5 . 1 1 6 6 GLN H H 6 8.635 8.635 8.542 0.093 25934 419 1 5 . 1 1 7 7 THR N N 7 116.430 116.430 119.801 -3.371 25934 420 1 5 . 1 1 7 7 THR HA H 7 4.394 4.394 4.362 0.032 25934 421 1 5 . 1 1 7 7 THR H H 7 8.307 8.307 7.934 0.373 25934 422 1 5 . 1 1 8 8 SER N N 8 118.551 118.551 120.869 -2.318 25934 423 1 5 . 1 1 8 8 SER HA H 8 4.467 4.467 4.348 0.119 25934 424 1 5 . 1 1 8 8 SER H H 8 8.345 8.345 8.883 -0.538 25934 425 1 5 . 1 1 9 9 GLN N N 9 123.019 123.019 119.969 3.050 25934 426 1 5 . 1 1 9 9 GLN HA H 9 4.280 4.280 4.044 0.236 25934 427 1 5 . 1 1 9 9 GLN H H 9 8.338 8.338 7.377 0.961 25934 428 1 5 . 1 1 10 10 LYS N N 10 123.679 123.679 118.323 5.356 25934 429 1 5 . 1 1 10 10 LYS HA H 10 4.199 4.199 4.111 0.088 25934 430 1 5 . 1 1 10 10 LYS H H 10 8.258 8.258 7.312 0.946 25934 431 1 5 . 1 1 11 11 SER N N 11 115.557 115.557 116.164 -0.607 25934 432 1 5 . 1 1 11 11 SER HA H 11 4.534 4.534 4.395 0.139 25934 433 1 5 . 1 1 11 11 SER H H 11 7.659 7.659 7.384 0.275 25934 434 1 5 . 1 1 12 12 TYR N N 12 122.532 122.532 121.358 1.174 25934 435 1 5 . 1 1 12 12 TYR HA H 12 4.220 4.220 4.338 -0.118 25934 436 1 5 . 1 1 12 12 TYR H H 12 8.585 8.585 6.956 1.629 25934 437 1 5 . 1 1 13 13 VAL N N 13 123.674 123.674 124.639 -0.965 25934 438 1 5 . 1 1 13 13 VAL HA H 13 4.801 4.801 5.054 -0.253 25934 439 1 5 . 1 1 13 13 VAL H H 13 8.253 8.253 8.377 -0.124 25934 440 1 5 . 1 1 14 14 CYS N N 14 131.181 131.181 129.097 2.084 25934 441 1 5 . 1 1 14 14 CYS HA H 14 5.078 5.078 4.982 0.096 25934 442 1 5 . 1 1 14 14 CYS H H 14 9.362 9.362 9.359 0.003 25934 443 1 5 . 1 1 15 15 PRO HA H 15 2.458 2.458 4.379 -1.921 25934 444 1 5 . 1 1 16 16 ASN N N 16 119.946 119.946 114.742 5.204 25934 445 1 5 . 1 1 16 16 ASN HA H 16 4.889 4.889 4.702 0.187 25934 446 1 5 . 1 1 16 16 ASN H H 16 9.104 9.104 8.314 0.790 25934 447 1 5 . 1 1 17 17 CYS N N 17 117.298 117.298 116.103 1.195 25934 448 1 5 . 1 1 17 17 CYS HA H 17 5.136 5.136 4.907 0.229 25934 449 1 5 . 1 1 17 17 CYS H H 17 8.202 8.202 7.786 0.416 25934 450 1 5 . 1 1 18 18 GLY N N 18 113.723 113.723 109.256 4.467 25934 451 1 5 . 1 1 18 18 GLY H H 18 8.092 8.092 8.719 -0.627 25934 452 1 5 . 1 1 19 19 LYS N N 19 124.529 124.529 121.009 3.520 25934 453 1 5 . 1 1 19 19 LYS HA H 19 3.963 3.963 4.346 -0.383 25934 454 1 5 . 1 1 19 19 LYS H H 19 8.396 8.396 7.784 0.613 25934 455 1 5 . 1 1 20 20 ILE N N 20 122.902 122.902 125.867 -2.965 25934 456 1 5 . 1 1 20 20 ILE HA H 20 4.619 4.619 5.074 -0.455 25934 457 1 5 . 1 1 20 20 ILE H H 20 7.793 7.793 8.209 -0.416 25934 458 1 5 . 1 1 21 21 PHE N N 21 126.244 126.244 127.263 -1.019 25934 459 1 5 . 1 1 21 21 PHE HA H 21 4.760 4.760 4.853 -0.093 25934 460 1 5 . 1 1 21 21 PHE H H 21 9.361 9.361 9.155 0.206 25934 461 1 5 . 1 1 22 22 ARG N N 22 125.051 125.051 121.992 3.059 25934 462 1 5 . 1 1 22 22 ARG HA H 22 4.407 4.407 4.160 0.247 25934 463 1 5 . 1 1 22 22 ARG H H 22 9.016 9.016 8.618 0.398 25934 464 1 5 . 1 1 23 23 TRP N N 23 118.871 118.871 117.387 1.484 25934 465 1 5 . 1 1 23 23 TRP HA H 23 5.328 5.328 4.942 0.386 25934 466 1 5 . 1 1 23 23 TRP H H 23 7.986 7.986 7.900 0.086 25934 467 1 5 . 1 1 24 24 ARG N N 24 130.190 130.190 122.647 7.543 25934 468 1 5 . 1 1 24 24 ARG HA H 24 3.041 3.041 3.842 -0.801 25934 469 1 5 . 1 1 24 24 ARG H H 24 9.358 9.358 8.976 0.382 25934 470 1 5 . 1 1 25 25 VAL N N 25 115.735 115.735 118.428 -2.693 25934 471 1 5 . 1 1 25 25 VAL HA H 25 3.802 3.802 3.860 -0.058 25934 472 1 5 . 1 1 25 25 VAL H H 25 8.598 8.598 8.312 0.286 25934 473 1 5 . 1 1 26 26 ASN N N 26 119.272 119.272 117.687 1.585 25934 474 1 5 . 1 1 26 26 ASN HA H 26 4.613 4.613 4.526 0.087 25934 475 1 5 . 1 1 26 26 ASN H H 26 6.907 6.907 8.460 -1.553 25934 476 1 5 . 1 1 27 27 PHE N N 27 124.971 124.971 122.661 2.310 25934 477 1 5 . 1 1 27 27 PHE HA H 27 3.013 3.013 3.324 -0.311 25934 478 1 5 . 1 1 27 27 PHE H H 27 7.487 7.487 7.469 0.018 25934 479 1 5 . 1 1 28 28 ILE N N 28 119.280 119.280 118.464 0.816 25934 480 1 5 . 1 1 28 28 ILE HA H 28 3.277 3.277 3.455 -0.178 25934 481 1 5 . 1 1 28 28 ILE H H 28 8.458 8.458 8.648 -0.190 25934 482 1 5 . 1 1 29 29 ARG N N 29 119.668 119.668 120.344 -0.676 25934 483 1 5 . 1 1 29 29 ARG HA H 29 3.900 3.900 3.856 0.044 25934 484 1 5 . 1 1 29 29 ARG H H 29 7.577 7.577 7.779 -0.202 25934 485 1 5 . 1 1 30 30 HIS N N 30 120.050 120.050 119.095 0.955 25934 486 1 5 . 1 1 30 30 HIS HA H 30 4.258 4.258 4.252 0.006 25934 487 1 5 . 1 1 30 30 HIS H H 30 7.620 7.620 7.637 -0.017 25934 488 1 5 . 1 1 31 31 LEU N N 31 120.143 120.143 117.757 2.386 25934 489 1 5 . 1 1 31 31 LEU HA H 31 3.773 3.773 3.821 -0.048 25934 490 1 5 . 1 1 31 31 LEU H H 31 8.005 8.005 7.899 0.106 25934 491 1 5 . 1 1 32 32 ARG N N 32 118.157 118.157 119.549 -1.392 25934 492 1 5 . 1 1 32 32 ARG HA H 32 4.066 4.066 3.997 0.070 25934 493 1 5 . 1 1 32 32 ARG H H 32 7.975 7.975 8.405 -0.430 25934 494 1 5 . 1 1 33 33 SER N N 33 115.082 115.082 113.219 1.863 25934 495 1 5 . 1 1 33 33 SER HA H 33 4.327 4.327 4.388 -0.061 25934 496 1 5 . 1 1 33 33 SER H H 33 7.754 7.754 7.505 0.249 25934 497 1 5 . 1 1 34 34 ARG N N 34 121.862 121.862 121.815 0.047 25934 498 1 5 . 1 1 34 34 ARG HA H 34 4.190 4.190 4.229 -0.039 25934 499 1 5 . 1 1 34 34 ARG H H 34 7.558 7.558 7.357 0.201 25934 500 1 5 . 1 1 35 35 ARG N N 35 121.550 121.550 120.668 0.882 25934 501 1 5 . 1 1 35 35 ARG HA H 35 4.284 4.284 4.116 0.168 25934 502 1 5 . 1 1 35 35 ARG H H 35 8.030 8.030 7.548 0.482 25934 503 1 5 . 1 1 36 36 GLU N N 36 122.012 122.012 117.720 4.292 25934 504 1 5 . 1 1 36 36 GLU HA H 36 4.318 4.318 4.469 -0.151 25934 505 1 5 . 1 1 36 36 GLU H H 36 8.274 8.274 7.840 0.434 25934 506 1 5 . 1 1 37 37 GLN N N 37 121.601 121.601 120.064 1.537 25934 507 1 5 . 1 1 37 37 GLN HA H 37 4.269 4.269 4.504 -0.235 25934 508 1 5 . 1 1 37 37 GLN H H 37 8.238 8.238 7.587 0.651 25934 509 1 5 . 1 1 38 38 LYS N N 38 124.607 124.607 119.786 4.821 25934 510 1 5 . 1 1 38 38 LYS HA H 38 4.595 4.595 4.736 -0.141 25934 511 1 5 . 1 1 38 38 LYS H H 38 8.348 8.348 8.290 0.058 25934 512 1 5 . 1 1 39 39 PRO HA H 39 4.416 4.416 4.238 0.178 25934 513 1 5 . 1 1 40 40 HIS N N 40 120.882 120.882 113.387 7.495 25934 514 1 5 . 1 1 40 40 HIS HA H 40 4.639 4.639 4.536 0.103 25934 515 1 5 . 1 1 40 40 HIS H H 40 8.565 8.565 7.875 0.690 25934 516 1 6 . 1 1 5 5 VAL N N 5 122.612 122.612 115.414 7.198 25934 517 1 6 . 1 1 5 5 VAL HA H 5 4.134 4.134 3.519 0.615 25934 518 1 6 . 1 1 5 5 VAL H H 5 8.326 8.326 8.535 -0.209 25934 519 1 6 . 1 1 6 6 GLN N N 6 125.548 125.548 119.693 5.855 25934 520 1 6 . 1 1 6 6 GLN HA H 6 4.454 4.454 4.151 0.303 25934 521 1 6 . 1 1 6 6 GLN H H 6 8.635 8.635 8.192 0.443 25934 522 1 6 . 1 1 7 7 THR N N 7 116.430 116.430 115.540 0.890 25934 523 1 6 . 1 1 7 7 THR HA H 7 4.394 4.394 4.084 0.310 25934 524 1 6 . 1 1 7 7 THR H H 7 8.307 8.307 8.268 0.039 25934 525 1 6 . 1 1 8 8 SER N N 8 118.551 118.551 112.358 6.193 25934 526 1 6 . 1 1 8 8 SER HA H 8 4.467 4.467 4.042 0.425 25934 527 1 6 . 1 1 8 8 SER H H 8 8.345 8.345 8.268 0.077 25934 528 1 6 . 1 1 9 9 GLN N N 9 123.019 123.019 119.545 3.474 25934 529 1 6 . 1 1 9 9 GLN HA H 9 4.280 4.280 4.139 0.141 25934 530 1 6 . 1 1 9 9 GLN H H 9 8.338 8.338 8.455 -0.117 25934 531 1 6 . 1 1 10 10 LYS N N 10 123.679 123.679 115.819 7.860 25934 532 1 6 . 1 1 10 10 LYS HA H 10 4.199 4.199 4.133 0.066 25934 533 1 6 . 1 1 10 10 LYS H H 10 8.258 8.258 7.627 0.631 25934 534 1 6 . 1 1 11 11 SER N N 11 115.557 115.557 117.565 -2.008 25934 535 1 6 . 1 1 11 11 SER HA H 11 4.534 4.534 4.448 0.086 25934 536 1 6 . 1 1 11 11 SER H H 11 7.659 7.659 7.902 -0.243 25934 537 1 6 . 1 1 12 12 TYR N N 12 122.532 122.532 126.664 -4.132 25934 538 1 6 . 1 1 12 12 TYR HA H 12 4.220 4.220 4.271 -0.051 25934 539 1 6 . 1 1 12 12 TYR H H 12 8.585 8.585 8.666 -0.081 25934 540 1 6 . 1 1 13 13 VAL N N 13 123.674 123.674 125.326 -1.652 25934 541 1 6 . 1 1 13 13 VAL HA H 13 4.801 4.801 4.908 -0.107 25934 542 1 6 . 1 1 13 13 VAL H H 13 8.253 8.253 8.378 -0.125 25934 543 1 6 . 1 1 14 14 CYS N N 14 131.181 131.181 129.430 1.751 25934 544 1 6 . 1 1 14 14 CYS HA H 14 5.078 5.078 5.118 -0.040 25934 545 1 6 . 1 1 14 14 CYS H H 14 9.362 9.362 9.287 0.075 25934 546 1 6 . 1 1 15 15 PRO HA H 15 2.458 2.458 4.335 -1.877 25934 547 1 6 . 1 1 16 16 ASN N N 16 119.946 119.946 115.582 4.364 25934 548 1 6 . 1 1 16 16 ASN HA H 16 4.889 4.889 4.704 0.185 25934 549 1 6 . 1 1 16 16 ASN H H 16 9.104 9.104 8.570 0.534 25934 550 1 6 . 1 1 17 17 CYS N N 17 117.298 117.298 116.492 0.806 25934 551 1 6 . 1 1 17 17 CYS HA H 17 5.136 5.136 4.690 0.446 25934 552 1 6 . 1 1 17 17 CYS H H 17 8.202 8.202 8.067 0.135 25934 553 1 6 . 1 1 18 18 GLY N N 18 113.723 113.723 109.710 4.013 25934 554 1 6 . 1 1 18 18 GLY H H 18 8.092 8.092 8.602 -0.510 25934 555 1 6 . 1 1 19 19 LYS N N 19 124.529 124.529 120.885 3.644 25934 556 1 6 . 1 1 19 19 LYS HA H 19 3.963 3.963 4.329 -0.366 25934 557 1 6 . 1 1 19 19 LYS H H 19 8.396 8.396 7.680 0.716 25934 558 1 6 . 1 1 20 20 ILE N N 20 122.902 122.902 126.232 -3.330 25934 559 1 6 . 1 1 20 20 ILE HA H 20 4.619 4.619 5.112 -0.493 25934 560 1 6 . 1 1 20 20 ILE H H 20 7.793 7.793 8.171 -0.378 25934 561 1 6 . 1 1 21 21 PHE N N 21 126.244 126.244 128.207 -1.963 25934 562 1 6 . 1 1 21 21 PHE HA H 21 4.760 4.760 4.940 -0.180 25934 563 1 6 . 1 1 21 21 PHE H H 21 9.361 9.361 9.361 -0.000 25934 564 1 6 . 1 1 22 22 ARG N N 22 125.051 125.051 120.645 4.406 25934 565 1 6 . 1 1 22 22 ARG HA H 22 4.407 4.407 4.439 -0.032 25934 566 1 6 . 1 1 22 22 ARG H H 22 9.016 9.016 8.587 0.429 25934 567 1 6 . 1 1 23 23 TRP N N 23 118.871 118.871 117.190 1.681 25934 568 1 6 . 1 1 23 23 TRP HA H 23 5.328 5.328 4.985 0.343 25934 569 1 6 . 1 1 23 23 TRP H H 23 7.986 7.986 7.577 0.409 25934 570 1 6 . 1 1 24 24 ARG N N 24 130.190 130.190 123.485 6.705 25934 571 1 6 . 1 1 24 24 ARG HA H 24 3.041 3.041 3.461 -0.420 25934 572 1 6 . 1 1 24 24 ARG H H 24 9.358 9.358 9.001 0.357 25934 573 1 6 . 1 1 25 25 VAL N N 25 115.735 115.735 118.426 -2.691 25934 574 1 6 . 1 1 25 25 VAL HA H 25 3.802 3.802 3.785 0.017 25934 575 1 6 . 1 1 25 25 VAL H H 25 8.598 8.598 8.223 0.375 25934 576 1 6 . 1 1 26 26 ASN N N 26 119.272 119.272 117.608 1.664 25934 577 1 6 . 1 1 26 26 ASN HA H 26 4.613 4.613 4.470 0.143 25934 578 1 6 . 1 1 26 26 ASN H H 26 6.907 6.907 8.387 -1.480 25934 579 1 6 . 1 1 27 27 PHE N N 27 124.971 124.971 122.881 2.090 25934 580 1 6 . 1 1 27 27 PHE HA H 27 3.013 3.013 3.129 -0.116 25934 581 1 6 . 1 1 27 27 PHE H H 27 7.487 7.487 7.451 0.036 25934 582 1 6 . 1 1 28 28 ILE N N 28 119.280 119.280 118.446 0.834 25934 583 1 6 . 1 1 28 28 ILE HA H 28 3.277 3.277 3.412 -0.135 25934 584 1 6 . 1 1 28 28 ILE H H 28 8.458 8.458 8.490 -0.032 25934 585 1 6 . 1 1 29 29 ARG N N 29 119.668 119.668 120.257 -0.589 25934 586 1 6 . 1 1 29 29 ARG HA H 29 3.900 3.900 3.814 0.086 25934 587 1 6 . 1 1 29 29 ARG H H 29 7.577 7.577 7.647 -0.070 25934 588 1 6 . 1 1 30 30 HIS N N 30 120.050 120.050 119.222 0.828 25934 589 1 6 . 1 1 30 30 HIS HA H 30 4.258 4.258 4.294 -0.036 25934 590 1 6 . 1 1 30 30 HIS H H 30 7.620 7.620 7.664 -0.044 25934 591 1 6 . 1 1 31 31 LEU N N 31 120.143 120.143 117.245 2.898 25934 592 1 6 . 1 1 31 31 LEU HA H 31 3.773 3.773 3.750 0.023 25934 593 1 6 . 1 1 31 31 LEU H H 31 8.005 8.005 7.861 0.144 25934 594 1 6 . 1 1 32 32 ARG N N 32 118.157 118.157 116.821 1.336 25934 595 1 6 . 1 1 32 32 ARG HA H 32 4.066 4.066 4.074 -0.008 25934 596 1 6 . 1 1 32 32 ARG H H 32 7.975 7.975 7.885 0.090 25934 597 1 6 . 1 1 33 33 SER N N 33 115.082 115.082 111.693 3.389 25934 598 1 6 . 1 1 33 33 SER HA H 33 4.327 4.327 4.463 -0.136 25934 599 1 6 . 1 1 33 33 SER H H 33 7.754 7.754 7.561 0.193 25934 600 1 6 . 1 1 34 34 ARG N N 34 121.862 121.862 117.695 4.167 25934 601 1 6 . 1 1 34 34 ARG HA H 34 4.190 4.190 3.563 0.627 25934 602 1 6 . 1 1 34 34 ARG H H 34 7.558 7.558 8.168 -0.610 25934 603 1 6 . 1 1 35 35 ARG N N 35 121.550 121.550 121.383 0.167 25934 604 1 6 . 1 1 35 35 ARG HA H 35 4.284 4.284 4.445 -0.161 25934 605 1 6 . 1 1 35 35 ARG H H 35 8.030 8.030 7.951 0.079 25934 606 1 6 . 1 1 36 36 GLU N N 36 122.012 122.012 125.238 -3.226 25934 607 1 6 . 1 1 36 36 GLU HA H 36 4.318 4.318 4.339 -0.021 25934 608 1 6 . 1 1 36 36 GLU H H 36 8.274 8.274 8.894 -0.620 25934 609 1 6 . 1 1 37 37 GLN N N 37 121.601 121.601 118.451 3.150 25934 610 1 6 . 1 1 37 37 GLN HA H 37 4.269 4.269 4.560 -0.291 25934 611 1 6 . 1 1 37 37 GLN H H 37 8.238 8.238 8.043 0.195 25934 612 1 6 . 1 1 38 38 LYS N N 38 124.607 124.607 123.441 1.166 25934 613 1 6 . 1 1 38 38 LYS HA H 38 4.595 4.595 4.513 0.082 25934 614 1 6 . 1 1 38 38 LYS H H 38 8.348 8.348 8.641 -0.293 25934 615 1 6 . 1 1 39 39 PRO HA H 39 4.416 4.416 4.321 0.095 25934 616 1 6 . 1 1 40 40 HIS N N 40 120.882 120.882 118.529 2.353 25934 617 1 6 . 1 1 40 40 HIS HA H 40 4.639 4.639 4.642 -0.003 25934 618 1 6 . 1 1 40 40 HIS H H 40 8.565 8.565 8.094 0.471 25934 619 1 7 . 1 1 5 5 VAL N N 5 122.612 122.612 120.660 1.952 25934 620 1 7 . 1 1 5 5 VAL HA H 5 4.134 4.134 4.105 0.029 25934 621 1 7 . 1 1 5 5 VAL H H 5 8.326 8.326 7.885 0.441 25934 622 1 7 . 1 1 6 6 GLN N N 6 125.548 125.548 125.478 0.070 25934 623 1 7 . 1 1 6 6 GLN HA H 6 4.454 4.454 4.543 -0.089 25934 624 1 7 . 1 1 6 6 GLN H H 6 8.635 8.635 8.562 0.073 25934 625 1 7 . 1 1 7 7 THR N N 7 116.430 116.430 117.663 -1.233 25934 626 1 7 . 1 1 7 7 THR HA H 7 4.394 4.394 4.540 -0.146 25934 627 1 7 . 1 1 7 7 THR H H 7 8.307 8.307 8.524 -0.217 25934 628 1 7 . 1 1 8 8 SER N N 8 118.551 118.551 118.911 -0.360 25934 629 1 7 . 1 1 8 8 SER HA H 8 4.467 4.467 4.478 -0.011 25934 630 1 7 . 1 1 8 8 SER H H 8 8.345 8.345 8.089 0.256 25934 631 1 7 . 1 1 9 9 GLN N N 9 123.019 123.019 125.230 -2.211 25934 632 1 7 . 1 1 9 9 GLN HA H 9 4.280 4.280 4.085 0.195 25934 633 1 7 . 1 1 9 9 GLN H H 9 8.338 8.338 8.589 -0.251 25934 634 1 7 . 1 1 10 10 LYS N N 10 123.679 123.679 116.614 7.065 25934 635 1 7 . 1 1 10 10 LYS HA H 10 4.199 4.199 4.217 -0.018 25934 636 1 7 . 1 1 10 10 LYS H H 10 8.258 8.258 7.892 0.366 25934 637 1 7 . 1 1 11 11 SER N N 11 115.557 115.557 114.246 1.311 25934 638 1 7 . 1 1 11 11 SER HA H 11 4.534 4.534 4.753 -0.219 25934 639 1 7 . 1 1 11 11 SER H H 11 7.659 7.659 7.330 0.329 25934 640 1 7 . 1 1 12 12 TYR N N 12 122.532 122.532 124.289 -1.757 25934 641 1 7 . 1 1 12 12 TYR HA H 12 4.220 4.220 4.367 -0.147 25934 642 1 7 . 1 1 12 12 TYR H H 12 8.585 8.585 8.963 -0.378 25934 643 1 7 . 1 1 13 13 VAL N N 13 123.674 123.674 124.347 -0.673 25934 644 1 7 . 1 1 13 13 VAL HA H 13 4.801 4.801 5.224 -0.423 25934 645 1 7 . 1 1 13 13 VAL H H 13 8.253 8.253 8.331 -0.078 25934 646 1 7 . 1 1 14 14 CYS N N 14 131.181 131.181 129.160 2.021 25934 647 1 7 . 1 1 14 14 CYS HA H 14 5.078 5.078 5.067 0.011 25934 648 1 7 . 1 1 14 14 CYS H H 14 9.362 9.362 9.233 0.129 25934 649 1 7 . 1 1 15 15 PRO HA H 15 2.458 2.458 4.359 -1.901 25934 650 1 7 . 1 1 16 16 ASN N N 16 119.946 119.946 114.070 5.876 25934 651 1 7 . 1 1 16 16 ASN HA H 16 4.889 4.889 4.692 0.197 25934 652 1 7 . 1 1 16 16 ASN H H 16 9.104 9.104 8.200 0.904 25934 653 1 7 . 1 1 17 17 CYS N N 17 117.298 117.298 115.665 1.633 25934 654 1 7 . 1 1 17 17 CYS HA H 17 5.136 5.136 4.920 0.216 25934 655 1 7 . 1 1 17 17 CYS H H 17 8.202 8.202 7.805 0.397 25934 656 1 7 . 1 1 18 18 GLY N N 18 113.723 113.723 109.385 4.338 25934 657 1 7 . 1 1 18 18 GLY H H 18 8.092 8.092 8.703 -0.611 25934 658 1 7 . 1 1 19 19 LYS N N 19 124.529 124.529 120.999 3.530 25934 659 1 7 . 1 1 19 19 LYS HA H 19 3.963 3.963 4.341 -0.378 25934 660 1 7 . 1 1 19 19 LYS H H 19 8.396 8.396 7.850 0.546 25934 661 1 7 . 1 1 20 20 ILE N N 20 122.902 122.902 121.490 1.412 25934 662 1 7 . 1 1 20 20 ILE HA H 20 4.619 4.619 5.386 -0.767 25934 663 1 7 . 1 1 20 20 ILE H H 20 7.793 7.793 7.862 -0.069 25934 664 1 7 . 1 1 21 21 PHE N N 21 126.244 126.244 125.254 0.990 25934 665 1 7 . 1 1 21 21 PHE HA H 21 4.760 4.760 4.962 -0.202 25934 666 1 7 . 1 1 21 21 PHE H H 21 9.361 9.361 9.122 0.239 25934 667 1 7 . 1 1 22 22 ARG N N 22 125.051 125.051 121.944 3.107 25934 668 1 7 . 1 1 22 22 ARG HA H 22 4.407 4.407 4.569 -0.162 25934 669 1 7 . 1 1 22 22 ARG H H 22 9.016 9.016 8.746 0.270 25934 670 1 7 . 1 1 23 23 TRP N N 23 118.871 118.871 117.449 1.422 25934 671 1 7 . 1 1 23 23 TRP HA H 23 5.328 5.328 4.983 0.345 25934 672 1 7 . 1 1 23 23 TRP H H 23 7.986 7.986 7.931 0.055 25934 673 1 7 . 1 1 24 24 ARG N N 24 130.190 130.190 123.234 6.956 25934 674 1 7 . 1 1 24 24 ARG HA H 24 3.041 3.041 3.499 -0.458 25934 675 1 7 . 1 1 24 24 ARG H H 24 9.358 9.358 8.977 0.381 25934 676 1 7 . 1 1 25 25 VAL N N 25 115.735 115.735 117.320 -1.585 25934 677 1 7 . 1 1 25 25 VAL HA H 25 3.802 3.802 3.752 0.050 25934 678 1 7 . 1 1 25 25 VAL H H 25 8.598 8.598 8.247 0.351 25934 679 1 7 . 1 1 26 26 ASN N N 26 119.272 119.272 117.908 1.364 25934 680 1 7 . 1 1 26 26 ASN HA H 26 4.613 4.613 4.482 0.131 25934 681 1 7 . 1 1 26 26 ASN H H 26 6.907 6.907 8.431 -1.524 25934 682 1 7 . 1 1 27 27 PHE N N 27 124.971 124.971 122.857 2.114 25934 683 1 7 . 1 1 27 27 PHE HA H 27 3.013 3.013 3.188 -0.175 25934 684 1 7 . 1 1 27 27 PHE H H 27 7.487 7.487 7.432 0.055 25934 685 1 7 . 1 1 28 28 ILE N N 28 119.280 119.280 118.345 0.935 25934 686 1 7 . 1 1 28 28 ILE HA H 28 3.277 3.277 3.394 -0.117 25934 687 1 7 . 1 1 28 28 ILE H H 28 8.458 8.458 8.546 -0.088 25934 688 1 7 . 1 1 29 29 ARG N N 29 119.668 119.668 120.408 -0.740 25934 689 1 7 . 1 1 29 29 ARG HA H 29 3.900 3.900 3.830 0.070 25934 690 1 7 . 1 1 29 29 ARG H H 29 7.577 7.577 7.842 -0.265 25934 691 1 7 . 1 1 30 30 HIS N N 30 120.050 120.050 118.891 1.159 25934 692 1 7 . 1 1 30 30 HIS HA H 30 4.258 4.258 4.322 -0.064 25934 693 1 7 . 1 1 30 30 HIS H H 30 7.620 7.620 7.916 -0.296 25934 694 1 7 . 1 1 31 31 LEU N N 31 120.143 120.143 117.978 2.165 25934 695 1 7 . 1 1 31 31 LEU HA H 31 3.773 3.773 3.808 -0.035 25934 696 1 7 . 1 1 31 31 LEU H H 31 8.005 8.005 7.852 0.153 25934 697 1 7 . 1 1 32 32 ARG N N 32 118.157 118.157 117.776 0.381 25934 698 1 7 . 1 1 32 32 ARG HA H 32 4.066 4.066 4.021 0.045 25934 699 1 7 . 1 1 32 32 ARG H H 32 7.975 7.975 7.898 0.077 25934 700 1 7 . 1 1 33 33 SER N N 33 115.082 115.082 113.436 1.646 25934 701 1 7 . 1 1 33 33 SER HA H 33 4.327 4.327 4.271 0.056 25934 702 1 7 . 1 1 33 33 SER H H 33 7.754 7.754 7.414 0.340 25934 703 1 7 . 1 1 34 34 ARG N N 34 121.862 121.862 119.994 1.868 25934 704 1 7 . 1 1 34 34 ARG HA H 34 4.190 4.190 4.512 -0.322 25934 705 1 7 . 1 1 34 34 ARG H H 34 7.558 7.558 7.298 0.260 25934 706 1 7 . 1 1 35 35 ARG N N 35 121.550 121.550 124.664 -3.114 25934 707 1 7 . 1 1 35 35 ARG HA H 35 4.284 4.284 4.245 0.039 25934 708 1 7 . 1 1 35 35 ARG H H 35 8.030 8.030 8.462 -0.432 25934 709 1 7 . 1 1 36 36 GLU N N 36 122.012 122.012 118.080 3.932 25934 710 1 7 . 1 1 36 36 GLU HA H 36 4.318 4.318 4.230 0.088 25934 711 1 7 . 1 1 36 36 GLU H H 36 8.274 8.274 7.577 0.697 25934 712 1 7 . 1 1 37 37 GLN N N 37 121.601 121.601 119.673 1.928 25934 713 1 7 . 1 1 37 37 GLN HA H 37 4.269 4.269 4.285 -0.016 25934 714 1 7 . 1 1 37 37 GLN H H 37 8.238 8.238 7.713 0.525 25934 715 1 7 . 1 1 38 38 LYS N N 38 124.607 124.607 122.526 2.081 25934 716 1 7 . 1 1 38 38 LYS HA H 38 4.595 4.595 4.506 0.089 25934 717 1 7 . 1 1 38 38 LYS H H 38 8.348 8.348 8.571 -0.223 25934 718 1 7 . 1 1 39 39 PRO HA H 39 4.416 4.416 4.435 -0.019 25934 719 1 7 . 1 1 40 40 HIS N N 40 120.882 120.882 119.424 1.458 25934 720 1 7 . 1 1 40 40 HIS HA H 40 4.639 4.639 4.420 0.219 25934 721 1 7 . 1 1 40 40 HIS H H 40 8.565 8.565 8.637 -0.072 25934 722 1 8 . 1 1 5 5 VAL N N 5 122.612 122.612 121.470 1.142 25934 723 1 8 . 1 1 5 5 VAL HA H 5 4.134 4.134 3.968 0.166 25934 724 1 8 . 1 1 5 5 VAL H H 5 8.326 8.326 7.552 0.774 25934 725 1 8 . 1 1 6 6 GLN N N 6 125.548 125.548 128.176 -2.628 25934 726 1 8 . 1 1 6 6 GLN HA H 6 4.454 4.454 4.215 0.239 25934 727 1 8 . 1 1 6 6 GLN H H 6 8.635 8.635 8.704 -0.069 25934 728 1 8 . 1 1 7 7 THR N N 7 116.430 116.430 118.082 -1.652 25934 729 1 8 . 1 1 7 7 THR HA H 7 4.394 4.394 4.467 -0.073 25934 730 1 8 . 1 1 7 7 THR H H 7 8.307 8.307 7.833 0.474 25934 731 1 8 . 1 1 8 8 SER N N 8 118.551 118.551 119.544 -0.993 25934 732 1 8 . 1 1 8 8 SER HA H 8 4.467 4.467 4.568 -0.101 25934 733 1 8 . 1 1 8 8 SER H H 8 8.345 8.345 8.811 -0.466 25934 734 1 8 . 1 1 9 9 GLN N N 9 123.019 123.019 120.930 2.089 25934 735 1 8 . 1 1 9 9 GLN HA H 9 4.280 4.280 4.113 0.167 25934 736 1 8 . 1 1 9 9 GLN H H 9 8.338 8.338 7.345 0.993 25934 737 1 8 . 1 1 10 10 LYS N N 10 123.679 123.679 117.435 6.244 25934 738 1 8 . 1 1 10 10 LYS HA H 10 4.199 4.199 4.102 0.097 25934 739 1 8 . 1 1 10 10 LYS H H 10 8.258 8.258 7.668 0.590 25934 740 1 8 . 1 1 11 11 SER N N 11 115.557 115.557 115.668 -0.111 25934 741 1 8 . 1 1 11 11 SER HA H 11 4.534 4.534 4.420 0.114 25934 742 1 8 . 1 1 11 11 SER H H 11 7.659 7.659 7.474 0.185 25934 743 1 8 . 1 1 12 12 TYR N N 12 122.532 122.532 120.706 1.826 25934 744 1 8 . 1 1 12 12 TYR HA H 12 4.220 4.220 4.371 -0.151 25934 745 1 8 . 1 1 12 12 TYR H H 12 8.585 8.585 7.007 1.578 25934 746 1 8 . 1 1 13 13 VAL N N 13 123.674 123.674 124.191 -0.517 25934 747 1 8 . 1 1 13 13 VAL HA H 13 4.801 4.801 5.011 -0.210 25934 748 1 8 . 1 1 13 13 VAL H H 13 8.253 8.253 8.436 -0.183 25934 749 1 8 . 1 1 14 14 CYS N N 14 131.181 131.181 129.106 2.075 25934 750 1 8 . 1 1 14 14 CYS HA H 14 5.078 5.078 5.048 0.030 25934 751 1 8 . 1 1 14 14 CYS H H 14 9.362 9.362 9.258 0.104 25934 752 1 8 . 1 1 15 15 PRO HA H 15 2.458 2.458 4.390 -1.932 25934 753 1 8 . 1 1 16 16 ASN N N 16 119.946 119.946 115.921 4.025 25934 754 1 8 . 1 1 16 16 ASN HA H 16 4.889 4.889 4.690 0.199 25934 755 1 8 . 1 1 16 16 ASN H H 16 9.104 9.104 8.305 0.799 25934 756 1 8 . 1 1 17 17 CYS N N 17 117.298 117.298 116.657 0.641 25934 757 1 8 . 1 1 17 17 CYS HA H 17 5.136 5.136 4.825 0.311 25934 758 1 8 . 1 1 17 17 CYS H H 17 8.202 8.202 7.825 0.377 25934 759 1 8 . 1 1 18 18 GLY N N 18 113.723 113.723 109.650 4.073 25934 760 1 8 . 1 1 18 18 GLY H H 18 8.092 8.092 8.618 -0.526 25934 761 1 8 . 1 1 19 19 LYS N N 19 124.529 124.529 120.874 3.655 25934 762 1 8 . 1 1 19 19 LYS HA H 19 3.963 3.963 4.447 -0.484 25934 763 1 8 . 1 1 19 19 LYS H H 19 8.396 8.396 7.652 0.744 25934 764 1 8 . 1 1 20 20 ILE N N 20 122.902 122.902 125.945 -3.043 25934 765 1 8 . 1 1 20 20 ILE HA H 20 4.619 4.619 5.110 -0.491 25934 766 1 8 . 1 1 20 20 ILE H H 20 7.793 7.793 8.331 -0.538 25934 767 1 8 . 1 1 21 21 PHE N N 21 126.244 126.244 127.040 -0.796 25934 768 1 8 . 1 1 21 21 PHE HA H 21 4.760 4.760 4.873 -0.113 25934 769 1 8 . 1 1 21 21 PHE H H 21 9.361 9.361 9.198 0.163 25934 770 1 8 . 1 1 22 22 ARG N N 22 125.051 125.051 122.131 2.920 25934 771 1 8 . 1 1 22 22 ARG HA H 22 4.407 4.407 4.078 0.329 25934 772 1 8 . 1 1 22 22 ARG H H 22 9.016 9.016 8.648 0.368 25934 773 1 8 . 1 1 23 23 TRP N N 23 118.871 118.871 116.928 1.943 25934 774 1 8 . 1 1 23 23 TRP HA H 23 5.328 5.328 4.947 0.381 25934 775 1 8 . 1 1 23 23 TRP H H 23 7.986 7.986 7.779 0.207 25934 776 1 8 . 1 1 24 24 ARG N N 24 130.190 130.190 122.042 8.148 25934 777 1 8 . 1 1 24 24 ARG HA H 24 3.041 3.041 3.693 -0.652 25934 778 1 8 . 1 1 24 24 ARG H H 24 9.358 9.358 8.931 0.427 25934 779 1 8 . 1 1 25 25 VAL N N 25 115.735 115.735 118.149 -2.414 25934 780 1 8 . 1 1 25 25 VAL HA H 25 3.802 3.802 3.737 0.065 25934 781 1 8 . 1 1 25 25 VAL H H 25 8.598 8.598 8.301 0.297 25934 782 1 8 . 1 1 26 26 ASN N N 26 119.272 119.272 117.819 1.453 25934 783 1 8 . 1 1 26 26 ASN HA H 26 4.613 4.613 4.468 0.145 25934 784 1 8 . 1 1 26 26 ASN H H 26 6.907 6.907 8.427 -1.520 25934 785 1 8 . 1 1 27 27 PHE N N 27 124.971 124.971 122.799 2.172 25934 786 1 8 . 1 1 27 27 PHE HA H 27 3.013 3.013 3.362 -0.349 25934 787 1 8 . 1 1 27 27 PHE H H 27 7.487 7.487 7.425 0.062 25934 788 1 8 . 1 1 28 28 ILE N N 28 119.280 119.280 118.189 1.091 25934 789 1 8 . 1 1 28 28 ILE HA H 28 3.277 3.277 3.485 -0.208 25934 790 1 8 . 1 1 28 28 ILE H H 28 8.458 8.458 8.661 -0.203 25934 791 1 8 . 1 1 29 29 ARG N N 29 119.668 119.668 120.319 -0.651 25934 792 1 8 . 1 1 29 29 ARG HA H 29 3.900 3.900 3.864 0.036 25934 793 1 8 . 1 1 29 29 ARG H H 29 7.577 7.577 7.631 -0.054 25934 794 1 8 . 1 1 30 30 HIS N N 30 120.050 120.050 118.376 1.674 25934 795 1 8 . 1 1 30 30 HIS HA H 30 4.258 4.258 4.299 -0.041 25934 796 1 8 . 1 1 30 30 HIS H H 30 7.620 7.620 7.966 -0.346 25934 797 1 8 . 1 1 31 31 LEU N N 31 120.143 120.143 119.845 0.298 25934 798 1 8 . 1 1 31 31 LEU HA H 31 3.773 3.773 3.893 -0.120 25934 799 1 8 . 1 1 31 31 LEU H H 31 8.005 8.005 8.201 -0.196 25934 800 1 8 . 1 1 32 32 ARG N N 32 118.157 118.157 119.123 -0.966 25934 801 1 8 . 1 1 32 32 ARG HA H 32 4.066 4.066 3.999 0.067 25934 802 1 8 . 1 1 32 32 ARG H H 32 7.975 7.975 7.593 0.382 25934 803 1 8 . 1 1 33 33 SER N N 33 115.082 115.082 113.948 1.134 25934 804 1 8 . 1 1 33 33 SER HA H 33 4.327 4.327 4.490 -0.163 25934 805 1 8 . 1 1 33 33 SER H H 33 7.754 7.754 7.413 0.341 25934 806 1 8 . 1 1 34 34 ARG N N 34 121.862 121.862 121.774 0.088 25934 807 1 8 . 1 1 34 34 ARG HA H 34 4.190 4.190 4.160 0.030 25934 808 1 8 . 1 1 34 34 ARG H H 34 7.558 7.558 7.461 0.097 25934 809 1 8 . 1 1 35 35 ARG N N 35 121.550 121.550 119.141 2.409 25934 810 1 8 . 1 1 35 35 ARG HA H 35 4.284 4.284 4.137 0.147 25934 811 1 8 . 1 1 35 35 ARG H H 35 8.030 8.030 7.401 0.629 25934 812 1 8 . 1 1 36 36 GLU N N 36 122.012 122.012 118.667 3.345 25934 813 1 8 . 1 1 36 36 GLU HA H 36 4.318 4.318 4.449 -0.131 25934 814 1 8 . 1 1 36 36 GLU H H 36 8.274 8.274 7.613 0.661 25934 815 1 8 . 1 1 37 37 GLN N N 37 121.601 121.601 119.327 2.274 25934 816 1 8 . 1 1 37 37 GLN HA H 37 4.269 4.269 4.345 -0.076 25934 817 1 8 . 1 1 37 37 GLN H H 37 8.238 8.238 7.632 0.606 25934 818 1 8 . 1 1 38 38 LYS N N 38 124.607 124.607 120.292 4.315 25934 819 1 8 . 1 1 38 38 LYS HA H 38 4.595 4.595 4.770 -0.175 25934 820 1 8 . 1 1 38 38 LYS H H 38 8.348 8.348 8.248 0.100 25934 821 1 8 . 1 1 39 39 PRO HA H 39 4.416 4.416 4.282 0.134 25934 822 1 8 . 1 1 40 40 HIS N N 40 120.882 120.882 114.805 6.077 25934 823 1 8 . 1 1 40 40 HIS HA H 40 4.639 4.639 4.543 0.096 25934 824 1 8 . 1 1 40 40 HIS H H 40 8.565 8.565 7.843 0.722 25934 825 1 9 . 1 1 5 5 VAL N N 5 122.612 122.612 126.196 -3.584 25934 826 1 9 . 1 1 5 5 VAL HA H 5 4.134 4.134 4.024 0.110 25934 827 1 9 . 1 1 5 5 VAL H H 5 8.326 8.326 8.704 -0.378 25934 828 1 9 . 1 1 6 6 GLN N N 6 125.548 125.548 129.081 -3.533 25934 829 1 9 . 1 1 6 6 GLN HA H 6 4.454 4.454 4.338 0.116 25934 830 1 9 . 1 1 6 6 GLN H H 6 8.635 8.635 8.718 -0.083 25934 831 1 9 . 1 1 7 7 THR N N 7 116.430 116.430 115.572 0.858 25934 832 1 9 . 1 1 7 7 THR HA H 7 4.394 4.394 4.354 0.040 25934 833 1 9 . 1 1 7 7 THR H H 7 8.307 8.307 7.649 0.658 25934 834 1 9 . 1 1 8 8 SER N N 8 118.551 118.551 118.568 -0.017 25934 835 1 9 . 1 1 8 8 SER HA H 8 4.467 4.467 4.681 -0.214 25934 836 1 9 . 1 1 8 8 SER H H 8 8.345 8.345 8.560 -0.215 25934 837 1 9 . 1 1 9 9 GLN N N 9 123.019 123.019 119.019 4.000 25934 838 1 9 . 1 1 9 9 GLN HA H 9 4.280 4.280 4.367 -0.087 25934 839 1 9 . 1 1 9 9 GLN H H 9 8.338 8.338 7.913 0.425 25934 840 1 9 . 1 1 10 10 LYS N N 10 123.679 123.679 124.380 -0.701 25934 841 1 9 . 1 1 10 10 LYS HA H 10 4.199 4.199 3.889 0.310 25934 842 1 9 . 1 1 10 10 LYS H H 10 8.258 8.258 7.708 0.550 25934 843 1 9 . 1 1 11 11 SER N N 11 115.557 115.557 116.727 -1.170 25934 844 1 9 . 1 1 11 11 SER HA H 11 4.534 4.534 4.720 -0.186 25934 845 1 9 . 1 1 11 11 SER H H 11 7.659 7.659 7.582 0.077 25934 846 1 9 . 1 1 12 12 TYR N N 12 122.532 122.532 124.031 -1.499 25934 847 1 9 . 1 1 12 12 TYR HA H 12 4.220 4.220 4.201 0.019 25934 848 1 9 . 1 1 12 12 TYR H H 12 8.585 8.585 8.913 -0.328 25934 849 1 9 . 1 1 13 13 VAL N N 13 123.674 123.674 124.757 -1.083 25934 850 1 9 . 1 1 13 13 VAL HA H 13 4.801 4.801 5.210 -0.409 25934 851 1 9 . 1 1 13 13 VAL H H 13 8.253 8.253 8.400 -0.147 25934 852 1 9 . 1 1 14 14 CYS N N 14 131.181 131.181 129.430 1.751 25934 853 1 9 . 1 1 14 14 CYS HA H 14 5.078 5.078 5.011 0.067 25934 854 1 9 . 1 1 14 14 CYS H H 14 9.362 9.362 9.340 0.022 25934 855 1 9 . 1 1 15 15 PRO HA H 15 2.458 2.458 4.379 -1.921 25934 856 1 9 . 1 1 16 16 ASN N N 16 119.946 119.946 115.665 4.281 25934 857 1 9 . 1 1 16 16 ASN HA H 16 4.889 4.889 4.681 0.208 25934 858 1 9 . 1 1 16 16 ASN H H 16 9.104 9.104 8.512 0.592 25934 859 1 9 . 1 1 17 17 CYS N N 17 117.298 117.298 115.596 1.702 25934 860 1 9 . 1 1 17 17 CYS HA H 17 5.136 5.136 4.899 0.237 25934 861 1 9 . 1 1 17 17 CYS H H 17 8.202 8.202 7.806 0.396 25934 862 1 9 . 1 1 18 18 GLY N N 18 113.723 113.723 108.789 4.934 25934 863 1 9 . 1 1 18 18 GLY H H 18 8.092 8.092 8.642 -0.550 25934 864 1 9 . 1 1 19 19 LYS N N 19 124.529 124.529 120.809 3.720 25934 865 1 9 . 1 1 19 19 LYS HA H 19 3.963 3.963 4.353 -0.390 25934 866 1 9 . 1 1 19 19 LYS H H 19 8.396 8.396 7.645 0.751 25934 867 1 9 . 1 1 20 20 ILE N N 20 122.902 122.902 125.545 -2.643 25934 868 1 9 . 1 1 20 20 ILE HA H 20 4.619 4.619 5.000 -0.381 25934 869 1 9 . 1 1 20 20 ILE H H 20 7.793 7.793 8.197 -0.404 25934 870 1 9 . 1 1 21 21 PHE N N 21 126.244 126.244 127.360 -1.116 25934 871 1 9 . 1 1 21 21 PHE HA H 21 4.760 4.760 4.957 -0.197 25934 872 1 9 . 1 1 21 21 PHE H H 21 9.361 9.361 9.282 0.079 25934 873 1 9 . 1 1 22 22 ARG N N 22 125.051 125.051 120.809 4.242 25934 874 1 9 . 1 1 22 22 ARG HA H 22 4.407 4.407 4.496 -0.089 25934 875 1 9 . 1 1 22 22 ARG H H 22 9.016 9.016 8.589 0.427 25934 876 1 9 . 1 1 23 23 TRP N N 23 118.871 118.871 117.199 1.672 25934 877 1 9 . 1 1 23 23 TRP HA H 23 5.328 5.328 4.870 0.458 25934 878 1 9 . 1 1 23 23 TRP H H 23 7.986 7.986 7.543 0.443 25934 879 1 9 . 1 1 24 24 ARG N N 24 130.190 130.190 123.242 6.948 25934 880 1 9 . 1 1 24 24 ARG HA H 24 3.041 3.041 3.662 -0.621 25934 881 1 9 . 1 1 24 24 ARG H H 24 9.358 9.358 8.806 0.552 25934 882 1 9 . 1 1 25 25 VAL N N 25 115.735 115.735 118.205 -2.470 25934 883 1 9 . 1 1 25 25 VAL HA H 25 3.802 3.802 3.773 0.029 25934 884 1 9 . 1 1 25 25 VAL H H 25 8.598 8.598 8.232 0.366 25934 885 1 9 . 1 1 26 26 ASN N N 26 119.272 119.272 117.620 1.652 25934 886 1 9 . 1 1 26 26 ASN HA H 26 4.613 4.613 4.465 0.148 25934 887 1 9 . 1 1 26 26 ASN H H 26 6.907 6.907 8.435 -1.528 25934 888 1 9 . 1 1 27 27 PHE N N 27 124.971 124.971 122.912 2.059 25934 889 1 9 . 1 1 27 27 PHE HA H 27 3.013 3.013 3.112 -0.099 25934 890 1 9 . 1 1 27 27 PHE H H 27 7.487 7.487 7.352 0.135 25934 891 1 9 . 1 1 28 28 ILE N N 28 119.280 119.280 118.068 1.212 25934 892 1 9 . 1 1 28 28 ILE HA H 28 3.277 3.277 3.390 -0.113 25934 893 1 9 . 1 1 28 28 ILE H H 28 8.458 8.458 8.538 -0.080 25934 894 1 9 . 1 1 29 29 ARG N N 29 119.668 119.668 119.885 -0.217 25934 895 1 9 . 1 1 29 29 ARG HA H 29 3.900 3.900 3.877 0.023 25934 896 1 9 . 1 1 29 29 ARG H H 29 7.577 7.577 7.521 0.056 25934 897 1 9 . 1 1 30 30 HIS N N 30 120.050 120.050 118.434 1.616 25934 898 1 9 . 1 1 30 30 HIS HA H 30 4.258 4.258 4.360 -0.102 25934 899 1 9 . 1 1 30 30 HIS H H 30 7.620 7.620 7.865 -0.245 25934 900 1 9 . 1 1 31 31 LEU N N 31 120.143 120.143 119.029 1.114 25934 901 1 9 . 1 1 31 31 LEU HA H 31 3.773 3.773 3.767 0.006 25934 902 1 9 . 1 1 31 31 LEU H H 31 8.005 8.005 7.876 0.129 25934 903 1 9 . 1 1 32 32 ARG N N 32 118.157 118.157 116.466 1.691 25934 904 1 9 . 1 1 32 32 ARG HA H 32 4.066 4.066 4.049 0.017 25934 905 1 9 . 1 1 32 32 ARG H H 32 7.975 7.975 7.235 0.740 25934 906 1 9 . 1 1 33 33 SER N N 33 115.082 115.082 114.727 0.355 25934 907 1 9 . 1 1 33 33 SER HA H 33 4.327 4.327 5.012 -0.685 25934 908 1 9 . 1 1 33 33 SER H H 33 7.754 7.754 7.772 -0.018 25934 909 1 9 . 1 1 34 34 ARG N N 34 121.862 121.862 122.332 -0.470 25934 910 1 9 . 1 1 34 34 ARG HA H 34 4.190 4.190 4.441 -0.251 25934 911 1 9 . 1 1 34 34 ARG H H 34 7.558 7.558 7.508 0.050 25934 912 1 9 . 1 1 35 35 ARG N N 35 121.550 121.550 117.925 3.625 25934 913 1 9 . 1 1 35 35 ARG HA H 35 4.284 4.284 4.519 -0.235 25934 914 1 9 . 1 1 35 35 ARG H H 35 8.030 8.030 8.392 -0.362 25934 915 1 9 . 1 1 36 36 GLU N N 36 122.012 122.012 120.818 1.194 25934 916 1 9 . 1 1 36 36 GLU HA H 36 4.318 4.318 4.240 0.078 25934 917 1 9 . 1 1 36 36 GLU H H 36 8.274 8.274 8.711 -0.437 25934 918 1 9 . 1 1 37 37 GLN N N 37 121.601 121.601 118.167 3.434 25934 919 1 9 . 1 1 37 37 GLN HA H 37 4.269 4.269 4.529 -0.260 25934 920 1 9 . 1 1 37 37 GLN H H 37 8.238 8.238 8.144 0.094 25934 921 1 9 . 1 1 38 38 LYS N N 38 124.607 124.607 121.658 2.949 25934 922 1 9 . 1 1 38 38 LYS HA H 38 4.595 4.595 4.723 -0.128 25934 923 1 9 . 1 1 38 38 LYS H H 38 8.348 8.348 7.935 0.413 25934 924 1 9 . 1 1 39 39 PRO HA H 39 4.416 4.416 4.330 0.086 25934 925 1 9 . 1 1 40 40 HIS N N 40 120.882 120.882 124.257 -3.375 25934 926 1 9 . 1 1 40 40 HIS HA H 40 4.639 4.639 4.759 -0.120 25934 927 1 9 . 1 1 40 40 HIS H H 40 8.565 8.565 8.702 -0.137 25934 928 1 10 . 1 1 5 5 VAL N N 5 122.612 122.612 121.874 0.738 25934 929 1 10 . 1 1 5 5 VAL HA H 5 4.134 4.134 4.028 0.106 25934 930 1 10 . 1 1 5 5 VAL H H 5 8.326 8.326 7.944 0.382 25934 931 1 10 . 1 1 6 6 GLN N N 6 125.548 125.548 128.359 -2.811 25934 932 1 10 . 1 1 6 6 GLN HA H 6 4.454 4.454 4.272 0.182 25934 933 1 10 . 1 1 6 6 GLN H H 6 8.635 8.635 8.696 -0.061 25934 934 1 10 . 1 1 7 7 THR N N 7 116.430 116.430 118.451 -2.021 25934 935 1 10 . 1 1 7 7 THR HA H 7 4.394 4.394 4.400 -0.006 25934 936 1 10 . 1 1 7 7 THR H H 7 8.307 8.307 7.946 0.361 25934 937 1 10 . 1 1 8 8 SER N N 8 118.551 118.551 120.356 -1.805 25934 938 1 10 . 1 1 8 8 SER HA H 8 4.467 4.467 4.598 -0.131 25934 939 1 10 . 1 1 8 8 SER H H 8 8.345 8.345 8.886 -0.541 25934 940 1 10 . 1 1 9 9 GLN N N 9 123.019 123.019 125.389 -2.370 25934 941 1 10 . 1 1 9 9 GLN HA H 9 4.280 4.280 4.404 -0.124 25934 942 1 10 . 1 1 9 9 GLN H H 9 8.338 8.338 7.938 0.400 25934 943 1 10 . 1 1 10 10 LYS N N 10 123.679 123.679 121.364 2.315 25934 944 1 10 . 1 1 10 10 LYS HA H 10 4.199 4.199 4.392 -0.193 25934 945 1 10 . 1 1 10 10 LYS H H 10 8.258 8.258 8.125 0.133 25934 946 1 10 . 1 1 11 11 SER N N 11 115.557 115.557 116.292 -0.735 25934 947 1 10 . 1 1 11 11 SER HA H 11 4.534 4.534 4.374 0.160 25934 948 1 10 . 1 1 11 11 SER H H 11 7.659 7.659 7.659 -0.000 25934 949 1 10 . 1 1 12 12 TYR N N 12 122.532 122.532 121.575 0.957 25934 950 1 10 . 1 1 12 12 TYR HA H 12 4.220 4.220 4.309 -0.089 25934 951 1 10 . 1 1 12 12 TYR H H 12 8.585 8.585 7.084 1.501 25934 952 1 10 . 1 1 13 13 VAL N N 13 123.674 123.674 124.700 -1.026 25934 953 1 10 . 1 1 13 13 VAL HA H 13 4.801 4.801 5.094 -0.293 25934 954 1 10 . 1 1 13 13 VAL H H 13 8.253 8.253 8.339 -0.086 25934 955 1 10 . 1 1 14 14 CYS N N 14 131.181 131.181 128.854 2.327 25934 956 1 10 . 1 1 14 14 CYS HA H 14 5.078 5.078 5.043 0.035 25934 957 1 10 . 1 1 14 14 CYS H H 14 9.362 9.362 9.281 0.081 25934 958 1 10 . 1 1 15 15 PRO HA H 15 2.458 2.458 4.365 -1.907 25934 959 1 10 . 1 1 16 16 ASN N N 16 119.946 119.946 115.115 4.831 25934 960 1 10 . 1 1 16 16 ASN HA H 16 4.889 4.889 4.700 0.189 25934 961 1 10 . 1 1 16 16 ASN H H 16 9.104 9.104 8.261 0.844 25934 962 1 10 . 1 1 17 17 CYS N N 17 117.298 117.298 116.665 0.633 25934 963 1 10 . 1 1 17 17 CYS HA H 17 5.136 5.136 4.827 0.309 25934 964 1 10 . 1 1 17 17 CYS H H 17 8.202 8.202 7.833 0.369 25934 965 1 10 . 1 1 18 18 GLY N N 18 113.723 113.723 109.535 4.188 25934 966 1 10 . 1 1 18 18 GLY H H 18 8.092 8.092 8.686 -0.594 25934 967 1 10 . 1 1 19 19 LYS N N 19 124.529 124.529 120.594 3.935 25934 968 1 10 . 1 1 19 19 LYS HA H 19 3.963 3.963 4.396 -0.433 25934 969 1 10 . 1 1 19 19 LYS H H 19 8.396 8.396 7.712 0.684 25934 970 1 10 . 1 1 20 20 ILE N N 20 122.902 122.902 125.968 -3.066 25934 971 1 10 . 1 1 20 20 ILE HA H 20 4.619 4.619 5.151 -0.532 25934 972 1 10 . 1 1 20 20 ILE H H 20 7.793 7.793 8.228 -0.435 25934 973 1 10 . 1 1 21 21 PHE N N 21 126.244 126.244 127.458 -1.214 25934 974 1 10 . 1 1 21 21 PHE HA H 21 4.760 4.760 4.887 -0.127 25934 975 1 10 . 1 1 21 21 PHE H H 21 9.361 9.361 9.257 0.104 25934 976 1 10 . 1 1 22 22 ARG N N 22 125.051 125.051 122.632 2.419 25934 977 1 10 . 1 1 22 22 ARG HA H 22 4.407 4.407 4.207 0.200 25934 978 1 10 . 1 1 22 22 ARG H H 22 9.016 9.016 8.677 0.339 25934 979 1 10 . 1 1 23 23 TRP N N 23 118.871 118.871 118.130 0.741 25934 980 1 10 . 1 1 23 23 TRP HA H 23 5.328 5.328 4.807 0.521 25934 981 1 10 . 1 1 23 23 TRP H H 23 7.986 7.986 7.853 0.133 25934 982 1 10 . 1 1 24 24 ARG N N 24 130.190 130.190 122.451 7.739 25934 983 1 10 . 1 1 24 24 ARG HA H 24 3.041 3.041 3.714 -0.673 25934 984 1 10 . 1 1 24 24 ARG H H 24 9.358 9.358 8.880 0.478 25934 985 1 10 . 1 1 25 25 VAL N N 25 115.735 115.735 119.085 -3.350 25934 986 1 10 . 1 1 25 25 VAL HA H 25 3.802 3.802 3.800 0.002 25934 987 1 10 . 1 1 25 25 VAL H H 25 8.598 8.598 8.296 0.302 25934 988 1 10 . 1 1 26 26 ASN N N 26 119.272 119.272 117.936 1.336 25934 989 1 10 . 1 1 26 26 ASN HA H 26 4.613 4.613 4.510 0.103 25934 990 1 10 . 1 1 26 26 ASN H H 26 6.907 6.907 8.417 -1.510 25934 991 1 10 . 1 1 27 27 PHE N N 27 124.971 124.971 123.091 1.880 25934 992 1 10 . 1 1 27 27 PHE HA H 27 3.013 3.013 3.275 -0.262 25934 993 1 10 . 1 1 27 27 PHE H H 27 7.487 7.487 7.421 0.066 25934 994 1 10 . 1 1 28 28 ILE N N 28 119.280 119.280 118.076 1.204 25934 995 1 10 . 1 1 28 28 ILE HA H 28 3.277 3.277 3.451 -0.174 25934 996 1 10 . 1 1 28 28 ILE H H 28 8.458 8.458 8.583 -0.125 25934 997 1 10 . 1 1 29 29 ARG N N 29 119.668 119.668 120.026 -0.358 25934 998 1 10 . 1 1 29 29 ARG HA H 29 3.900 3.900 3.884 0.016 25934 999 1 10 . 1 1 29 29 ARG H H 29 7.577 7.577 7.477 0.100 25934 1000 1 10 . 1 1 30 30 HIS N N 30 120.050 120.050 118.886 1.164 25934 1001 1 10 . 1 1 30 30 HIS HA H 30 4.258 4.258 4.249 0.009 25934 1002 1 10 . 1 1 30 30 HIS H H 30 7.620 7.620 7.987 -0.367 25934 1003 1 10 . 1 1 31 31 LEU N N 31 120.143 120.143 119.659 0.484 25934 1004 1 10 . 1 1 31 31 LEU HA H 31 3.773 3.773 3.856 -0.083 25934 1005 1 10 . 1 1 31 31 LEU H H 31 8.005 8.005 8.149 -0.144 25934 1006 1 10 . 1 1 32 32 ARG N N 32 118.157 118.157 119.552 -1.395 25934 1007 1 10 . 1 1 32 32 ARG HA H 32 4.066 4.066 3.978 0.088 25934 1008 1 10 . 1 1 32 32 ARG H H 32 7.975 7.975 7.772 0.203 25934 1009 1 10 . 1 1 33 33 SER N N 33 115.082 115.082 113.379 1.703 25934 1010 1 10 . 1 1 33 33 SER HA H 33 4.327 4.327 4.474 -0.147 25934 1011 1 10 . 1 1 33 33 SER H H 33 7.754 7.754 7.560 0.194 25934 1012 1 10 . 1 1 34 34 ARG N N 34 121.862 121.862 121.754 0.108 25934 1013 1 10 . 1 1 34 34 ARG HA H 34 4.190 4.190 4.014 0.176 25934 1014 1 10 . 1 1 34 34 ARG H H 34 7.558 7.558 7.393 0.165 25934 1015 1 10 . 1 1 35 35 ARG N N 35 121.550 121.550 117.921 3.629 25934 1016 1 10 . 1 1 35 35 ARG HA H 35 4.284 4.284 4.183 0.101 25934 1017 1 10 . 1 1 35 35 ARG H H 35 8.030 8.030 7.422 0.608 25934 1018 1 10 . 1 1 36 36 GLU N N 36 122.012 122.012 118.709 3.303 25934 1019 1 10 . 1 1 36 36 GLU HA H 36 4.318 4.318 4.417 -0.099 25934 1020 1 10 . 1 1 36 36 GLU H H 36 8.274 8.274 7.621 0.653 25934 1021 1 10 . 1 1 37 37 GLN N N 37 121.601 121.601 118.811 2.790 25934 1022 1 10 . 1 1 37 37 GLN HA H 37 4.269 4.269 4.462 -0.193 25934 1023 1 10 . 1 1 37 37 GLN H H 37 8.238 8.238 7.466 0.772 25934 1024 1 10 . 1 1 38 38 LYS N N 38 124.607 124.607 120.794 3.813 25934 1025 1 10 . 1 1 38 38 LYS HA H 38 4.595 4.595 4.701 -0.106 25934 1026 1 10 . 1 1 38 38 LYS H H 38 8.348 8.348 8.348 -0.000 25934 1027 1 10 . 1 1 39 39 PRO HA H 39 4.416 4.416 4.259 0.157 25934 1028 1 10 . 1 1 40 40 HIS N N 40 120.882 120.882 113.353 7.529 25934 1029 1 10 . 1 1 40 40 HIS HA H 40 4.639 4.639 4.535 0.104 25934 1030 1 10 . 1 1 40 40 HIS H H 40 8.565 8.565 7.982 0.583 25934 1031 1 11 . 1 1 5 5 VAL N N 5 122.612 122.612 118.809 3.803 25934 1032 1 11 . 1 1 5 5 VAL HA H 5 4.134 4.134 4.405 -0.271 25934 1033 1 11 . 1 1 5 5 VAL H H 5 8.326 8.326 8.289 0.037 25934 1034 1 11 . 1 1 6 6 GLN N N 6 125.548 125.548 123.188 2.360 25934 1035 1 11 . 1 1 6 6 GLN HA H 6 4.454 4.454 4.573 -0.119 25934 1036 1 11 . 1 1 6 6 GLN H H 6 8.635 8.635 8.701 -0.066 25934 1037 1 11 . 1 1 7 7 THR N N 7 116.430 116.430 112.188 4.242 25934 1038 1 11 . 1 1 7 7 THR HA H 7 4.394 4.394 4.447 -0.053 25934 1039 1 11 . 1 1 7 7 THR H H 7 8.307 8.307 7.455 0.852 25934 1040 1 11 . 1 1 8 8 SER N N 8 118.551 118.551 121.742 -3.191 25934 1041 1 11 . 1 1 8 8 SER HA H 8 4.467 4.467 4.269 0.198 25934 1042 1 11 . 1 1 8 8 SER H H 8 8.345 8.345 8.791 -0.446 25934 1043 1 11 . 1 1 9 9 GLN N N 9 123.019 123.019 117.440 5.579 25934 1044 1 11 . 1 1 9 9 GLN HA H 9 4.280 4.280 4.335 -0.055 25934 1045 1 11 . 1 1 9 9 GLN H H 9 8.338 8.338 8.524 -0.186 25934 1046 1 11 . 1 1 10 10 LYS N N 10 123.679 123.679 121.674 2.005 25934 1047 1 11 . 1 1 10 10 LYS HA H 10 4.199 4.199 4.445 -0.246 25934 1048 1 11 . 1 1 10 10 LYS H H 10 8.258 8.258 7.976 0.282 25934 1049 1 11 . 1 1 11 11 SER N N 11 115.557 115.557 117.831 -2.274 25934 1050 1 11 . 1 1 11 11 SER HA H 11 4.534 4.534 4.904 -0.370 25934 1051 1 11 . 1 1 11 11 SER H H 11 7.659 7.659 8.267 -0.608 25934 1052 1 11 . 1 1 12 12 TYR N N 12 122.532 122.532 124.360 -1.828 25934 1053 1 11 . 1 1 12 12 TYR HA H 12 4.220 4.220 4.281 -0.061 25934 1054 1 11 . 1 1 12 12 TYR H H 12 8.585 8.585 9.206 -0.621 25934 1055 1 11 . 1 1 13 13 VAL N N 13 123.674 123.674 125.339 -1.665 25934 1056 1 11 . 1 1 13 13 VAL HA H 13 4.801 4.801 4.756 0.045 25934 1057 1 11 . 1 1 13 13 VAL H H 13 8.253 8.253 8.325 -0.072 25934 1058 1 11 . 1 1 14 14 CYS N N 14 131.181 131.181 129.345 1.836 25934 1059 1 11 . 1 1 14 14 CYS HA H 14 5.078 5.078 5.117 -0.039 25934 1060 1 11 . 1 1 14 14 CYS H H 14 9.362 9.362 9.368 -0.006 25934 1061 1 11 . 1 1 15 15 PRO HA H 15 2.458 2.458 4.399 -1.941 25934 1062 1 11 . 1 1 16 16 ASN N N 16 119.946 119.946 115.988 3.958 25934 1063 1 11 . 1 1 16 16 ASN HA H 16 4.889 4.889 4.797 0.092 25934 1064 1 11 . 1 1 16 16 ASN H H 16 9.104 9.104 8.031 1.073 25934 1065 1 11 . 1 1 17 17 CYS N N 17 117.298 117.298 116.091 1.207 25934 1066 1 11 . 1 1 17 17 CYS HA H 17 5.136 5.136 4.776 0.360 25934 1067 1 11 . 1 1 17 17 CYS H H 17 8.202 8.202 7.726 0.476 25934 1068 1 11 . 1 1 18 18 GLY N N 18 113.723 113.723 109.790 3.933 25934 1069 1 11 . 1 1 18 18 GLY H H 18 8.092 8.092 8.670 -0.578 25934 1070 1 11 . 1 1 19 19 LYS N N 19 124.529 124.529 121.481 3.048 25934 1071 1 11 . 1 1 19 19 LYS HA H 19 3.963 3.963 4.370 -0.407 25934 1072 1 11 . 1 1 19 19 LYS H H 19 8.396 8.396 7.804 0.592 25934 1073 1 11 . 1 1 20 20 ILE N N 20 122.902 122.902 122.421 0.481 25934 1074 1 11 . 1 1 20 20 ILE HA H 20 4.619 4.619 5.533 -0.914 25934 1075 1 11 . 1 1 20 20 ILE H H 20 7.793 7.793 7.985 -0.192 25934 1076 1 11 . 1 1 21 21 PHE N N 21 126.244 126.244 125.149 1.095 25934 1077 1 11 . 1 1 21 21 PHE HA H 21 4.760 4.760 5.004 -0.244 25934 1078 1 11 . 1 1 21 21 PHE H H 21 9.361 9.361 9.096 0.265 25934 1079 1 11 . 1 1 22 22 ARG N N 22 125.051 125.051 122.310 2.741 25934 1080 1 11 . 1 1 22 22 ARG HA H 22 4.407 4.407 4.402 0.005 25934 1081 1 11 . 1 1 22 22 ARG H H 22 9.016 9.016 8.826 0.190 25934 1082 1 11 . 1 1 23 23 TRP N N 23 118.871 118.871 117.464 1.407 25934 1083 1 11 . 1 1 23 23 TRP HA H 23 5.328 5.328 4.851 0.477 25934 1084 1 11 . 1 1 23 23 TRP H H 23 7.986 7.986 7.849 0.137 25934 1085 1 11 . 1 1 24 24 ARG N N 24 130.190 130.190 123.244 6.946 25934 1086 1 11 . 1 1 24 24 ARG HA H 24 3.041 3.041 3.455 -0.414 25934 1087 1 11 . 1 1 24 24 ARG H H 24 9.358 9.358 8.766 0.592 25934 1088 1 11 . 1 1 25 25 VAL N N 25 115.735 115.735 118.045 -2.310 25934 1089 1 11 . 1 1 25 25 VAL HA H 25 3.802 3.802 3.827 -0.025 25934 1090 1 11 . 1 1 25 25 VAL H H 25 8.598 8.598 8.252 0.346 25934 1091 1 11 . 1 1 26 26 ASN N N 26 119.272 119.272 117.632 1.640 25934 1092 1 11 . 1 1 26 26 ASN HA H 26 4.613 4.613 4.440 0.173 25934 1093 1 11 . 1 1 26 26 ASN H H 26 6.907 6.907 8.429 -1.522 25934 1094 1 11 . 1 1 27 27 PHE N N 27 124.971 124.971 122.350 2.621 25934 1095 1 11 . 1 1 27 27 PHE HA H 27 3.013 3.013 3.420 -0.407 25934 1096 1 11 . 1 1 27 27 PHE H H 27 7.487 7.487 7.185 0.302 25934 1097 1 11 . 1 1 28 28 ILE N N 28 119.280 119.280 118.604 0.676 25934 1098 1 11 . 1 1 28 28 ILE HA H 28 3.277 3.277 3.438 -0.161 25934 1099 1 11 . 1 1 28 28 ILE H H 28 8.458 8.458 8.245 0.213 25934 1100 1 11 . 1 1 29 29 ARG N N 29 119.668 119.668 120.354 -0.686 25934 1101 1 11 . 1 1 29 29 ARG HA H 29 3.900 3.900 3.753 0.147 25934 1102 1 11 . 1 1 29 29 ARG H H 29 7.577 7.577 7.586 -0.009 25934 1103 1 11 . 1 1 30 30 HIS N N 30 120.050 120.050 119.018 1.032 25934 1104 1 11 . 1 1 30 30 HIS HA H 30 4.258 4.258 4.246 0.012 25934 1105 1 11 . 1 1 30 30 HIS H H 30 7.620 7.620 7.533 0.087 25934 1106 1 11 . 1 1 31 31 LEU N N 31 120.143 120.143 117.100 3.043 25934 1107 1 11 . 1 1 31 31 LEU HA H 31 3.773 3.773 3.910 -0.137 25934 1108 1 11 . 1 1 31 31 LEU H H 31 8.005 8.005 7.720 0.285 25934 1109 1 11 . 1 1 32 32 ARG N N 32 118.157 118.157 120.734 -2.577 25934 1110 1 11 . 1 1 32 32 ARG HA H 32 4.066 4.066 4.000 0.066 25934 1111 1 11 . 1 1 32 32 ARG H H 32 7.975 7.975 7.916 0.059 25934 1112 1 11 . 1 1 33 33 SER N N 33 115.082 115.082 116.013 -0.931 25934 1113 1 11 . 1 1 33 33 SER HA H 33 4.327 4.327 4.374 -0.047 25934 1114 1 11 . 1 1 33 33 SER H H 33 7.754 7.754 7.649 0.105 25934 1115 1 11 . 1 1 34 34 ARG N N 34 121.862 121.862 120.538 1.324 25934 1116 1 11 . 1 1 34 34 ARG HA H 34 4.190 4.190 3.989 0.201 25934 1117 1 11 . 1 1 34 34 ARG H H 34 7.558 7.558 7.390 0.168 25934 1118 1 11 . 1 1 35 35 ARG N N 35 121.550 121.550 122.084 -0.534 25934 1119 1 11 . 1 1 35 35 ARG HA H 35 4.284 4.284 3.970 0.314 25934 1120 1 11 . 1 1 35 35 ARG H H 35 8.030 8.030 8.897 -0.867 25934 1121 1 11 . 1 1 36 36 GLU N N 36 122.012 122.012 119.122 2.890 25934 1122 1 11 . 1 1 36 36 GLU HA H 36 4.318 4.318 4.111 0.207 25934 1123 1 11 . 1 1 36 36 GLU H H 36 8.274 8.274 8.559 -0.285 25934 1124 1 11 . 1 1 37 37 GLN N N 37 121.601 121.601 114.082 7.519 25934 1125 1 11 . 1 1 37 37 GLN HA H 37 4.269 4.269 4.022 0.247 25934 1126 1 11 . 1 1 37 37 GLN H H 37 8.238 8.238 8.330 -0.092 25934 1127 1 11 . 1 1 38 38 LYS N N 38 124.607 124.607 120.152 4.455 25934 1128 1 11 . 1 1 38 38 LYS HA H 38 4.595 4.595 4.560 0.035 25934 1129 1 11 . 1 1 38 38 LYS H H 38 8.348 8.348 8.560 -0.212 25934 1130 1 11 . 1 1 39 39 PRO HA H 39 4.416 4.416 4.404 0.012 25934 1131 1 11 . 1 1 40 40 HIS N N 40 120.882 120.882 118.835 2.047 25934 1132 1 11 . 1 1 40 40 HIS HA H 40 4.639 4.639 4.759 -0.120 25934 1133 1 11 . 1 1 40 40 HIS H H 40 8.565 8.565 8.071 0.494 25934 1134 1 12 . 1 1 5 5 VAL N N 5 122.612 122.612 124.885 -2.273 25934 1135 1 12 . 1 1 5 5 VAL HA H 5 4.134 4.134 3.809 0.325 25934 1136 1 12 . 1 1 5 5 VAL H H 5 8.326 8.326 8.573 -0.247 25934 1137 1 12 . 1 1 6 6 GLN N N 6 125.548 125.548 124.610 0.938 25934 1138 1 12 . 1 1 6 6 GLN HA H 6 4.454 4.454 3.956 0.498 25934 1139 1 12 . 1 1 6 6 GLN H H 6 8.635 8.635 8.608 0.027 25934 1140 1 12 . 1 1 7 7 THR N N 7 116.430 116.430 118.497 -2.067 25934 1141 1 12 . 1 1 7 7 THR HA H 7 4.394 4.394 4.169 0.225 25934 1142 1 12 . 1 1 7 7 THR H H 7 8.307 8.307 8.490 -0.183 25934 1143 1 12 . 1 1 8 8 SER N N 8 118.551 118.551 118.462 0.089 25934 1144 1 12 . 1 1 8 8 SER HA H 8 4.467 4.467 3.970 0.497 25934 1145 1 12 . 1 1 8 8 SER H H 8 8.345 8.345 8.593 -0.248 25934 1146 1 12 . 1 1 9 9 GLN N N 9 123.019 123.019 119.993 3.026 25934 1147 1 12 . 1 1 9 9 GLN HA H 9 4.280 4.280 4.209 0.071 25934 1148 1 12 . 1 1 9 9 GLN H H 9 8.338 8.338 8.223 0.115 25934 1149 1 12 . 1 1 10 10 LYS N N 10 123.679 123.679 120.603 3.076 25934 1150 1 12 . 1 1 10 10 LYS HA H 10 4.199 4.199 4.345 -0.146 25934 1151 1 12 . 1 1 10 10 LYS H H 10 8.258 8.258 7.825 0.433 25934 1152 1 12 . 1 1 11 11 SER N N 11 115.557 115.557 115.123 0.434 25934 1153 1 12 . 1 1 11 11 SER HA H 11 4.534 4.534 4.940 -0.406 25934 1154 1 12 . 1 1 11 11 SER H H 11 7.659 7.659 7.899 -0.240 25934 1155 1 12 . 1 1 12 12 TYR N N 12 122.532 122.532 124.706 -2.174 25934 1156 1 12 . 1 1 12 12 TYR HA H 12 4.220 4.220 4.421 -0.201 25934 1157 1 12 . 1 1 12 12 TYR H H 12 8.585 8.585 9.148 -0.563 25934 1158 1 12 . 1 1 13 13 VAL N N 13 123.674 123.674 125.135 -1.461 25934 1159 1 12 . 1 1 13 13 VAL HA H 13 4.801 4.801 5.109 -0.308 25934 1160 1 12 . 1 1 13 13 VAL H H 13 8.253 8.253 8.348 -0.095 25934 1161 1 12 . 1 1 14 14 CYS N N 14 131.181 131.181 129.590 1.591 25934 1162 1 12 . 1 1 14 14 CYS HA H 14 5.078 5.078 5.094 -0.016 25934 1163 1 12 . 1 1 14 14 CYS H H 14 9.362 9.362 9.302 0.060 25934 1164 1 12 . 1 1 15 15 PRO HA H 15 2.458 2.458 4.399 -1.941 25934 1165 1 12 . 1 1 16 16 ASN N N 16 119.946 119.946 115.386 4.560 25934 1166 1 12 . 1 1 16 16 ASN HA H 16 4.889 4.889 4.691 0.198 25934 1167 1 12 . 1 1 16 16 ASN H H 16 9.104 9.104 8.240 0.864 25934 1168 1 12 . 1 1 17 17 CYS N N 17 117.298 117.298 115.683 1.615 25934 1169 1 12 . 1 1 17 17 CYS HA H 17 5.136 5.136 4.899 0.237 25934 1170 1 12 . 1 1 17 17 CYS H H 17 8.202 8.202 7.736 0.466 25934 1171 1 12 . 1 1 18 18 GLY N N 18 113.723 113.723 109.498 4.225 25934 1172 1 12 . 1 1 18 18 GLY H H 18 8.092 8.092 8.679 -0.587 25934 1173 1 12 . 1 1 19 19 LYS N N 19 124.529 124.529 120.365 4.164 25934 1174 1 12 . 1 1 19 19 LYS HA H 19 3.963 3.963 4.412 -0.450 25934 1175 1 12 . 1 1 19 19 LYS H H 19 8.396 8.396 7.654 0.742 25934 1176 1 12 . 1 1 20 20 ILE N N 20 122.902 122.902 125.693 -2.791 25934 1177 1 12 . 1 1 20 20 ILE HA H 20 4.619 4.619 4.879 -0.260 25934 1178 1 12 . 1 1 20 20 ILE H H 20 7.793 7.793 8.185 -0.392 25934 1179 1 12 . 1 1 21 21 PHE N N 21 126.244 126.244 127.831 -1.587 25934 1180 1 12 . 1 1 21 21 PHE HA H 21 4.760 4.760 4.828 -0.068 25934 1181 1 12 . 1 1 21 21 PHE H H 21 9.361 9.361 9.319 0.042 25934 1182 1 12 . 1 1 22 22 ARG N N 22 125.051 125.051 122.325 2.726 25934 1183 1 12 . 1 1 22 22 ARG HA H 22 4.407 4.407 4.324 0.083 25934 1184 1 12 . 1 1 22 22 ARG H H 22 9.016 9.016 8.781 0.235 25934 1185 1 12 . 1 1 23 23 TRP N N 23 118.871 118.871 118.175 0.696 25934 1186 1 12 . 1 1 23 23 TRP HA H 23 5.328 5.328 4.944 0.384 25934 1187 1 12 . 1 1 23 23 TRP H H 23 7.986 7.986 7.990 -0.004 25934 1188 1 12 . 1 1 24 24 ARG N N 24 130.190 130.190 123.533 6.657 25934 1189 1 12 . 1 1 24 24 ARG HA H 24 3.041 3.041 3.542 -0.501 25934 1190 1 12 . 1 1 24 24 ARG H H 24 9.358 9.358 8.963 0.395 25934 1191 1 12 . 1 1 25 25 VAL N N 25 115.735 115.735 117.860 -2.125 25934 1192 1 12 . 1 1 25 25 VAL HA H 25 3.802 3.802 3.832 -0.030 25934 1193 1 12 . 1 1 25 25 VAL H H 25 8.598 8.598 8.325 0.273 25934 1194 1 12 . 1 1 26 26 ASN N N 26 119.272 119.272 117.837 1.435 25934 1195 1 12 . 1 1 26 26 ASN HA H 26 4.613 4.613 4.478 0.135 25934 1196 1 12 . 1 1 26 26 ASN H H 26 6.907 6.907 8.454 -1.547 25934 1197 1 12 . 1 1 27 27 PHE N N 27 124.971 124.971 122.591 2.380 25934 1198 1 12 . 1 1 27 27 PHE HA H 27 3.013 3.013 3.414 -0.401 25934 1199 1 12 . 1 1 27 27 PHE H H 27 7.487 7.487 7.314 0.173 25934 1200 1 12 . 1 1 28 28 ILE N N 28 119.280 119.280 118.661 0.619 25934 1201 1 12 . 1 1 28 28 ILE HA H 28 3.277 3.277 3.438 -0.161 25934 1202 1 12 . 1 1 28 28 ILE H H 28 8.458 8.458 8.401 0.057 25934 1203 1 12 . 1 1 29 29 ARG N N 29 119.668 119.668 120.371 -0.703 25934 1204 1 12 . 1 1 29 29 ARG HA H 29 3.900 3.900 3.787 0.113 25934 1205 1 12 . 1 1 29 29 ARG H H 29 7.577 7.577 7.942 -0.365 25934 1206 1 12 . 1 1 30 30 HIS N N 30 120.050 120.050 119.109 0.941 25934 1207 1 12 . 1 1 30 30 HIS HA H 30 4.258 4.258 4.293 -0.035 25934 1208 1 12 . 1 1 30 30 HIS H H 30 7.620 7.620 7.789 -0.169 25934 1209 1 12 . 1 1 31 31 LEU N N 31 120.143 120.143 118.187 1.956 25934 1210 1 12 . 1 1 31 31 LEU HA H 31 3.773 3.773 3.896 -0.123 25934 1211 1 12 . 1 1 31 31 LEU H H 31 8.005 8.005 7.829 0.176 25934 1212 1 12 . 1 1 32 32 ARG N N 32 118.157 118.157 118.419 -0.262 25934 1213 1 12 . 1 1 32 32 ARG HA H 32 4.066 4.066 4.025 0.041 25934 1214 1 12 . 1 1 32 32 ARG H H 32 7.975 7.975 8.158 -0.183 25934 1215 1 12 . 1 1 33 33 SER N N 33 115.082 115.082 113.137 1.945 25934 1216 1 12 . 1 1 33 33 SER HA H 33 4.327 4.327 4.429 -0.102 25934 1217 1 12 . 1 1 33 33 SER H H 33 7.754 7.754 7.672 0.082 25934 1218 1 12 . 1 1 34 34 ARG N N 34 121.862 121.862 117.077 4.785 25934 1219 1 12 . 1 1 34 34 ARG HA H 34 4.190 4.190 3.727 0.463 25934 1220 1 12 . 1 1 34 34 ARG H H 34 7.558 7.558 7.845 -0.287 25934 1221 1 12 . 1 1 35 35 ARG N N 35 121.550 121.550 119.493 2.057 25934 1222 1 12 . 1 1 35 35 ARG HA H 35 4.284 4.284 4.361 -0.077 25934 1223 1 12 . 1 1 35 35 ARG H H 35 8.030 8.030 8.293 -0.263 25934 1224 1 12 . 1 1 36 36 GLU N N 36 122.012 122.012 119.166 2.846 25934 1225 1 12 . 1 1 36 36 GLU HA H 36 4.318 4.318 4.101 0.217 25934 1226 1 12 . 1 1 36 36 GLU H H 36 8.274 8.274 8.632 -0.358 25934 1227 1 12 . 1 1 37 37 GLN N N 37 121.601 121.601 114.870 6.731 25934 1228 1 12 . 1 1 37 37 GLN HA H 37 4.269 4.269 4.395 -0.126 25934 1229 1 12 . 1 1 37 37 GLN H H 37 8.238 8.238 7.854 0.384 25934 1230 1 12 . 1 1 38 38 LYS N N 38 124.607 124.607 124.849 -0.242 25934 1231 1 12 . 1 1 38 38 LYS HA H 38 4.595 4.595 4.209 0.386 25934 1232 1 12 . 1 1 38 38 LYS H H 38 8.348 8.348 8.690 -0.342 25934 1233 1 12 . 1 1 39 39 PRO HA H 39 4.416 4.416 4.522 -0.106 25934 1234 1 12 . 1 1 40 40 HIS N N 40 120.882 120.882 110.122 10.760 25934 1235 1 12 . 1 1 40 40 HIS HA H 40 4.639 4.639 4.594 0.045 25934 1236 1 12 . 1 1 40 40 HIS H H 40 8.565 8.565 7.848 0.717 25934 1237 1 13 . 1 1 5 5 VAL N N 5 122.612 122.612 124.497 -1.885 25934 1238 1 13 . 1 1 5 5 VAL HA H 5 4.134 4.134 3.715 0.419 25934 1239 1 13 . 1 1 5 5 VAL H H 5 8.326 8.326 8.835 -0.509 25934 1240 1 13 . 1 1 6 6 GLN N N 6 125.548 125.548 117.650 7.898 25934 1241 1 13 . 1 1 6 6 GLN HA H 6 4.454 4.454 4.321 0.133 25934 1242 1 13 . 1 1 6 6 GLN H H 6 8.635 8.635 8.329 0.306 25934 1243 1 13 . 1 1 7 7 THR N N 7 116.430 116.430 113.507 2.923 25934 1244 1 13 . 1 1 7 7 THR HA H 7 4.394 4.394 4.137 0.257 25934 1245 1 13 . 1 1 7 7 THR H H 7 8.307 8.307 7.729 0.578 25934 1246 1 13 . 1 1 8 8 SER N N 8 118.551 118.551 114.529 4.022 25934 1247 1 13 . 1 1 8 8 SER HA H 8 4.467 4.467 4.589 -0.122 25934 1248 1 13 . 1 1 8 8 SER H H 8 8.345 8.345 8.490 -0.145 25934 1249 1 13 . 1 1 9 9 GLN N N 9 123.019 123.019 118.227 4.792 25934 1250 1 13 . 1 1 9 9 GLN HA H 9 4.280 4.280 4.658 -0.378 25934 1251 1 13 . 1 1 9 9 GLN H H 9 8.338 8.338 7.979 0.359 25934 1252 1 13 . 1 1 10 10 LYS N N 10 123.679 123.679 119.915 3.764 25934 1253 1 13 . 1 1 10 10 LYS HA H 10 4.199 4.199 3.886 0.313 25934 1254 1 13 . 1 1 10 10 LYS H H 10 8.258 8.258 7.179 1.079 25934 1255 1 13 . 1 1 11 11 SER N N 11 115.557 115.557 114.162 1.395 25934 1256 1 13 . 1 1 11 11 SER HA H 11 4.534 4.534 3.961 0.573 25934 1257 1 13 . 1 1 11 11 SER H H 11 7.659 7.659 8.233 -0.574 25934 1258 1 13 . 1 1 12 12 TYR N N 12 122.532 122.532 119.472 3.060 25934 1259 1 13 . 1 1 12 12 TYR HA H 12 4.220 4.220 4.146 0.074 25934 1260 1 13 . 1 1 12 12 TYR H H 12 8.585 8.585 7.884 0.701 25934 1261 1 13 . 1 1 13 13 VAL N N 13 123.674 123.674 124.429 -0.755 25934 1262 1 13 . 1 1 13 13 VAL HA H 13 4.801 4.801 4.928 -0.127 25934 1263 1 13 . 1 1 13 13 VAL H H 13 8.253 8.253 8.168 0.085 25934 1264 1 13 . 1 1 14 14 CYS N N 14 131.181 131.181 129.511 1.670 25934 1265 1 13 . 1 1 14 14 CYS HA H 14 5.078 5.078 5.077 0.001 25934 1266 1 13 . 1 1 14 14 CYS H H 14 9.362 9.362 9.372 -0.010 25934 1267 1 13 . 1 1 15 15 PRO HA H 15 2.458 2.458 4.441 -1.983 25934 1268 1 13 . 1 1 16 16 ASN N N 16 119.946 119.946 116.773 3.173 25934 1269 1 13 . 1 1 16 16 ASN HA H 16 4.889 4.889 4.673 0.216 25934 1270 1 13 . 1 1 16 16 ASN H H 16 9.104 9.104 8.132 0.972 25934 1271 1 13 . 1 1 17 17 CYS N N 17 117.298 117.298 116.138 1.160 25934 1272 1 13 . 1 1 17 17 CYS HA H 17 5.136 5.136 4.817 0.319 25934 1273 1 13 . 1 1 17 17 CYS H H 17 8.202 8.202 7.881 0.321 25934 1274 1 13 . 1 1 18 18 GLY N N 18 113.723 113.723 109.293 4.430 25934 1275 1 13 . 1 1 18 18 GLY H H 18 8.092 8.092 8.573 -0.481 25934 1276 1 13 . 1 1 19 19 LYS N N 19 124.529 124.529 120.467 4.062 25934 1277 1 13 . 1 1 19 19 LYS HA H 19 3.963 3.963 4.455 -0.492 25934 1278 1 13 . 1 1 19 19 LYS H H 19 8.396 8.396 7.781 0.615 25934 1279 1 13 . 1 1 20 20 ILE N N 20 122.902 122.902 123.951 -1.049 25934 1280 1 13 . 1 1 20 20 ILE HA H 20 4.619 4.619 5.051 -0.432 25934 1281 1 13 . 1 1 20 20 ILE H H 20 7.793 7.793 8.186 -0.393 25934 1282 1 13 . 1 1 21 21 PHE N N 21 126.244 126.244 126.283 -0.039 25934 1283 1 13 . 1 1 21 21 PHE HA H 21 4.760 4.760 4.926 -0.166 25934 1284 1 13 . 1 1 21 21 PHE H H 21 9.361 9.361 9.155 0.206 25934 1285 1 13 . 1 1 22 22 ARG N N 22 125.051 125.051 122.444 2.607 25934 1286 1 13 . 1 1 22 22 ARG HA H 22 4.407 4.407 4.235 0.172 25934 1287 1 13 . 1 1 22 22 ARG H H 22 9.016 9.016 8.753 0.263 25934 1288 1 13 . 1 1 23 23 TRP N N 23 118.871 118.871 118.440 0.431 25934 1289 1 13 . 1 1 23 23 TRP HA H 23 5.328 5.328 4.939 0.389 25934 1290 1 13 . 1 1 23 23 TRP H H 23 7.986 7.986 7.865 0.121 25934 1291 1 13 . 1 1 24 24 ARG N N 24 130.190 130.190 122.525 7.665 25934 1292 1 13 . 1 1 24 24 ARG HA H 24 3.041 3.041 3.336 -0.295 25934 1293 1 13 . 1 1 24 24 ARG H H 24 9.358 9.358 9.053 0.305 25934 1294 1 13 . 1 1 25 25 VAL N N 25 115.735 115.735 115.301 0.434 25934 1295 1 13 . 1 1 25 25 VAL HA H 25 3.802 3.802 3.686 0.116 25934 1296 1 13 . 1 1 25 25 VAL H H 25 8.598 8.598 8.152 0.446 25934 1297 1 13 . 1 1 26 26 ASN N N 26 119.272 119.272 117.444 1.828 25934 1298 1 13 . 1 1 26 26 ASN HA H 26 4.613 4.613 4.492 0.121 25934 1299 1 13 . 1 1 26 26 ASN H H 26 6.907 6.907 8.660 -1.753 25934 1300 1 13 . 1 1 27 27 PHE N N 27 124.971 124.971 122.018 2.953 25934 1301 1 13 . 1 1 27 27 PHE HA H 27 3.013 3.013 3.290 -0.277 25934 1302 1 13 . 1 1 27 27 PHE H H 27 7.487 7.487 7.154 0.333 25934 1303 1 13 . 1 1 28 28 ILE N N 28 119.280 119.280 119.115 0.165 25934 1304 1 13 . 1 1 28 28 ILE HA H 28 3.277 3.277 3.394 -0.117 25934 1305 1 13 . 1 1 28 28 ILE H H 28 8.458 8.458 8.311 0.147 25934 1306 1 13 . 1 1 29 29 ARG N N 29 119.668 119.668 120.157 -0.489 25934 1307 1 13 . 1 1 29 29 ARG HA H 29 3.900 3.900 3.809 0.091 25934 1308 1 13 . 1 1 29 29 ARG H H 29 7.577 7.577 8.251 -0.674 25934 1309 1 13 . 1 1 30 30 HIS N N 30 120.050 120.050 119.589 0.461 25934 1310 1 13 . 1 1 30 30 HIS HA H 30 4.258 4.258 4.271 -0.013 25934 1311 1 13 . 1 1 30 30 HIS H H 30 7.620 7.620 7.703 -0.083 25934 1312 1 13 . 1 1 31 31 LEU N N 31 120.143 120.143 118.722 1.421 25934 1313 1 13 . 1 1 31 31 LEU HA H 31 3.773 3.773 3.816 -0.043 25934 1314 1 13 . 1 1 31 31 LEU H H 31 8.005 8.005 7.826 0.179 25934 1315 1 13 . 1 1 32 32 ARG N N 32 118.157 118.157 119.337 -1.180 25934 1316 1 13 . 1 1 32 32 ARG HA H 32 4.066 4.066 3.954 0.112 25934 1317 1 13 . 1 1 32 32 ARG H H 32 7.975 7.975 8.474 -0.499 25934 1318 1 13 . 1 1 33 33 SER N N 33 115.082 115.082 114.104 0.978 25934 1319 1 13 . 1 1 33 33 SER HA H 33 4.327 4.327 4.224 0.103 25934 1320 1 13 . 1 1 33 33 SER H H 33 7.754 7.754 8.311 -0.557 25934 1321 1 13 . 1 1 34 34 ARG N N 34 121.862 121.862 119.462 2.400 25934 1322 1 13 . 1 1 34 34 ARG HA H 34 4.190 4.190 4.160 0.030 25934 1323 1 13 . 1 1 34 34 ARG H H 34 7.558 7.558 7.347 0.211 25934 1324 1 13 . 1 1 35 35 ARG N N 35 121.550 121.550 119.983 1.567 25934 1325 1 13 . 1 1 35 35 ARG HA H 35 4.284 4.284 3.956 0.328 25934 1326 1 13 . 1 1 35 35 ARG H H 35 8.030 8.030 7.838 0.193 25934 1327 1 13 . 1 1 36 36 GLU N N 36 122.012 122.012 124.169 -2.157 25934 1328 1 13 . 1 1 36 36 GLU HA H 36 4.318 4.318 4.327 -0.009 25934 1329 1 13 . 1 1 36 36 GLU H H 36 8.274 8.274 8.620 -0.346 25934 1330 1 13 . 1 1 37 37 GLN N N 37 121.601 121.601 119.807 1.794 25934 1331 1 13 . 1 1 37 37 GLN HA H 37 4.269 4.269 4.679 -0.410 25934 1332 1 13 . 1 1 37 37 GLN H H 37 8.238 8.238 7.815 0.423 25934 1333 1 13 . 1 1 38 38 LYS N N 38 124.607 124.607 122.455 2.152 25934 1334 1 13 . 1 1 38 38 LYS HA H 38 4.595 4.595 4.642 -0.047 25934 1335 1 13 . 1 1 38 38 LYS H H 38 8.348 8.348 8.543 -0.195 25934 1336 1 13 . 1 1 39 39 PRO HA H 39 4.416 4.416 4.274 0.142 25934 1337 1 13 . 1 1 40 40 HIS N N 40 120.882 120.882 113.765 7.117 25934 1338 1 13 . 1 1 40 40 HIS HA H 40 4.639 4.639 4.559 0.080 25934 1339 1 13 . 1 1 40 40 HIS H H 40 8.565 8.565 8.037 0.528 25934 1340 1 14 . 1 1 5 5 VAL N N 5 122.612 122.612 119.714 2.898 25934 1341 1 14 . 1 1 5 5 VAL HA H 5 4.134 4.134 3.721 0.413 25934 1342 1 14 . 1 1 5 5 VAL H H 5 8.326 8.326 7.997 0.329 25934 1343 1 14 . 1 1 6 6 GLN N N 6 125.548 125.548 120.902 4.646 25934 1344 1 14 . 1 1 6 6 GLN HA H 6 4.454 4.454 4.815 -0.361 25934 1345 1 14 . 1 1 6 6 GLN H H 6 8.635 8.635 8.057 0.578 25934 1346 1 14 . 1 1 7 7 THR N N 7 116.430 116.430 116.201 0.229 25934 1347 1 14 . 1 1 7 7 THR HA H 7 4.394 4.394 4.317 0.077 25934 1348 1 14 . 1 1 7 7 THR H H 7 8.307 8.307 8.273 0.034 25934 1349 1 14 . 1 1 8 8 SER N N 8 118.551 118.551 117.164 1.387 25934 1350 1 14 . 1 1 8 8 SER HA H 8 4.467 4.467 3.980 0.487 25934 1351 1 14 . 1 1 8 8 SER H H 8 8.345 8.345 7.940 0.405 25934 1352 1 14 . 1 1 9 9 GLN N N 9 123.019 123.019 125.487 -2.468 25934 1353 1 14 . 1 1 9 9 GLN HA H 9 4.280 4.280 4.076 0.204 25934 1354 1 14 . 1 1 9 9 GLN H H 9 8.338 8.338 8.763 -0.425 25934 1355 1 14 . 1 1 10 10 LYS N N 10 123.679 123.679 120.299 3.380 25934 1356 1 14 . 1 1 10 10 LYS HA H 10 4.199 4.199 3.586 0.613 25934 1357 1 14 . 1 1 10 10 LYS H H 10 8.258 8.258 8.275 -0.017 25934 1358 1 14 . 1 1 11 11 SER N N 11 115.557 115.557 113.666 1.891 25934 1359 1 14 . 1 1 11 11 SER HA H 11 4.534 4.534 4.750 -0.216 25934 1360 1 14 . 1 1 11 11 SER H H 11 7.659 7.659 7.149 0.510 25934 1361 1 14 . 1 1 12 12 TYR N N 12 122.532 122.532 123.998 -1.466 25934 1362 1 14 . 1 1 12 12 TYR HA H 12 4.220 4.220 4.231 -0.011 25934 1363 1 14 . 1 1 12 12 TYR H H 12 8.585 8.585 8.898 -0.313 25934 1364 1 14 . 1 1 13 13 VAL N N 13 123.674 123.674 125.387 -1.713 25934 1365 1 14 . 1 1 13 13 VAL HA H 13 4.801 4.801 4.702 0.099 25934 1366 1 14 . 1 1 13 13 VAL H H 13 8.253 8.253 8.334 -0.081 25934 1367 1 14 . 1 1 14 14 CYS N N 14 131.181 131.181 129.473 1.708 25934 1368 1 14 . 1 1 14 14 CYS HA H 14 5.078 5.078 5.086 -0.008 25934 1369 1 14 . 1 1 14 14 CYS H H 14 9.362 9.362 9.379 -0.017 25934 1370 1 14 . 1 1 15 15 PRO HA H 15 2.458 2.458 4.397 -1.939 25934 1371 1 14 . 1 1 16 16 ASN N N 16 119.946 119.946 115.435 4.511 25934 1372 1 14 . 1 1 16 16 ASN HA H 16 4.889 4.889 4.694 0.195 25934 1373 1 14 . 1 1 16 16 ASN H H 16 9.104 9.104 8.199 0.905 25934 1374 1 14 . 1 1 17 17 CYS N N 17 117.298 117.298 115.877 1.421 25934 1375 1 14 . 1 1 17 17 CYS HA H 17 5.136 5.136 4.889 0.247 25934 1376 1 14 . 1 1 17 17 CYS H H 17 8.202 8.202 7.799 0.403 25934 1377 1 14 . 1 1 18 18 GLY N N 18 113.723 113.723 109.625 4.098 25934 1378 1 14 . 1 1 18 18 GLY H H 18 8.092 8.092 8.704 -0.612 25934 1379 1 14 . 1 1 19 19 LYS N N 19 124.529 124.529 121.170 3.359 25934 1380 1 14 . 1 1 19 19 LYS HA H 19 3.963 3.963 4.290 -0.327 25934 1381 1 14 . 1 1 19 19 LYS H H 19 8.396 8.396 7.794 0.602 25934 1382 1 14 . 1 1 20 20 ILE N N 20 122.902 122.902 126.113 -3.211 25934 1383 1 14 . 1 1 20 20 ILE HA H 20 4.619 4.619 5.242 -0.623 25934 1384 1 14 . 1 1 20 20 ILE H H 20 7.793 7.793 8.157 -0.364 25934 1385 1 14 . 1 1 21 21 PHE N N 21 126.244 126.244 125.621 0.623 25934 1386 1 14 . 1 1 21 21 PHE HA H 21 4.760 4.760 4.928 -0.168 25934 1387 1 14 . 1 1 21 21 PHE H H 21 9.361 9.361 9.187 0.174 25934 1388 1 14 . 1 1 22 22 ARG N N 22 125.051 125.051 122.362 2.689 25934 1389 1 14 . 1 1 22 22 ARG HA H 22 4.407 4.407 4.618 -0.211 25934 1390 1 14 . 1 1 22 22 ARG H H 22 9.016 9.016 8.804 0.212 25934 1391 1 14 . 1 1 23 23 TRP N N 23 118.871 118.871 118.141 0.730 25934 1392 1 14 . 1 1 23 23 TRP HA H 23 5.328 5.328 4.922 0.406 25934 1393 1 14 . 1 1 23 23 TRP H H 23 7.986 7.986 7.811 0.175 25934 1394 1 14 . 1 1 24 24 ARG N N 24 130.190 130.190 122.908 7.282 25934 1395 1 14 . 1 1 24 24 ARG HA H 24 3.041 3.041 3.415 -0.374 25934 1396 1 14 . 1 1 24 24 ARG H H 24 9.358 9.358 9.005 0.353 25934 1397 1 14 . 1 1 25 25 VAL N N 25 115.735 115.735 116.593 -0.858 25934 1398 1 14 . 1 1 25 25 VAL HA H 25 3.802 3.802 3.751 0.051 25934 1399 1 14 . 1 1 25 25 VAL H H 25 8.598 8.598 8.221 0.377 25934 1400 1 14 . 1 1 26 26 ASN N N 26 119.272 119.272 117.334 1.938 25934 1401 1 14 . 1 1 26 26 ASN HA H 26 4.613 4.613 4.433 0.180 25934 1402 1 14 . 1 1 26 26 ASN H H 26 6.907 6.907 8.390 -1.483 25934 1403 1 14 . 1 1 27 27 PHE N N 27 124.971 124.971 122.542 2.429 25934 1404 1 14 . 1 1 27 27 PHE HA H 27 3.013 3.013 3.343 -0.330 25934 1405 1 14 . 1 1 27 27 PHE H H 27 7.487 7.487 7.234 0.253 25934 1406 1 14 . 1 1 28 28 ILE N N 28 119.280 119.280 118.452 0.828 25934 1407 1 14 . 1 1 28 28 ILE HA H 28 3.277 3.277 3.403 -0.126 25934 1408 1 14 . 1 1 28 28 ILE H H 28 8.458 8.458 8.232 0.226 25934 1409 1 14 . 1 1 29 29 ARG N N 29 119.668 119.668 120.395 -0.727 25934 1410 1 14 . 1 1 29 29 ARG HA H 29 3.900 3.900 3.772 0.128 25934 1411 1 14 . 1 1 29 29 ARG H H 29 7.577 7.577 7.626 -0.049 25934 1412 1 14 . 1 1 30 30 HIS N N 30 120.050 120.050 119.032 1.018 25934 1413 1 14 . 1 1 30 30 HIS HA H 30 4.258 4.258 4.272 -0.014 25934 1414 1 14 . 1 1 30 30 HIS H H 30 7.620 7.620 7.559 0.060 25934 1415 1 14 . 1 1 31 31 LEU N N 31 120.143 120.143 117.257 2.886 25934 1416 1 14 . 1 1 31 31 LEU HA H 31 3.773 3.773 3.932 -0.159 25934 1417 1 14 . 1 1 31 31 LEU H H 31 8.005 8.005 7.792 0.213 25934 1418 1 14 . 1 1 32 32 ARG N N 32 118.157 118.157 121.170 -3.013 25934 1419 1 14 . 1 1 32 32 ARG HA H 32 4.066 4.066 3.999 0.067 25934 1420 1 14 . 1 1 32 32 ARG H H 32 7.975 7.975 8.318 -0.343 25934 1421 1 14 . 1 1 33 33 SER N N 33 115.082 115.082 117.164 -2.082 25934 1422 1 14 . 1 1 33 33 SER HA H 33 4.327 4.327 4.445 -0.118 25934 1423 1 14 . 1 1 33 33 SER H H 33 7.754 7.754 8.000 -0.246 25934 1424 1 14 . 1 1 34 34 ARG N N 34 121.862 121.862 123.981 -2.119 25934 1425 1 14 . 1 1 34 34 ARG HA H 34 4.190 4.190 4.144 0.046 25934 1426 1 14 . 1 1 34 34 ARG H H 34 7.558 7.558 8.009 -0.451 25934 1427 1 14 . 1 1 35 35 ARG N N 35 121.550 121.550 119.739 1.811 25934 1428 1 14 . 1 1 35 35 ARG HA H 35 4.284 4.284 4.543 -0.259 25934 1429 1 14 . 1 1 35 35 ARG H H 35 8.030 8.030 8.268 -0.238 25934 1430 1 14 . 1 1 36 36 GLU N N 36 122.012 122.012 120.357 1.655 25934 1431 1 14 . 1 1 36 36 GLU HA H 36 4.318 4.318 4.201 0.117 25934 1432 1 14 . 1 1 36 36 GLU H H 36 8.274 8.274 8.533 -0.259 25934 1433 1 14 . 1 1 37 37 GLN N N 37 121.601 121.601 117.722 3.879 25934 1434 1 14 . 1 1 37 37 GLN HA H 37 4.269 4.269 4.345 -0.076 25934 1435 1 14 . 1 1 37 37 GLN H H 37 8.238 8.238 7.975 0.263 25934 1436 1 14 . 1 1 38 38 LYS N N 38 124.607 124.607 121.234 3.373 25934 1437 1 14 . 1 1 38 38 LYS HA H 38 4.595 4.595 4.117 0.478 25934 1438 1 14 . 1 1 38 38 LYS H H 38 8.348 8.348 8.295 0.053 25934 1439 1 14 . 1 1 39 39 PRO HA H 39 4.416 4.416 4.562 -0.146 25934 1440 1 14 . 1 1 40 40 HIS N N 40 120.882 120.882 121.074 -0.192 25934 1441 1 14 . 1 1 40 40 HIS HA H 40 4.639 4.639 4.543 0.096 25934 1442 1 14 . 1 1 40 40 HIS H H 40 8.565 8.565 8.560 0.005 25934 1443 1 15 . 1 1 5 5 VAL N N 5 122.612 122.612 123.065 -0.453 25934 1444 1 15 . 1 1 5 5 VAL HA H 5 4.134 4.134 4.024 0.110 25934 1445 1 15 . 1 1 5 5 VAL H H 5 8.326 8.326 8.566 -0.240 25934 1446 1 15 . 1 1 6 6 GLN N N 6 125.548 125.548 119.912 5.636 25934 1447 1 15 . 1 1 6 6 GLN HA H 6 4.454 4.454 4.304 0.150 25934 1448 1 15 . 1 1 6 6 GLN H H 6 8.635 8.635 8.271 0.364 25934 1449 1 15 . 1 1 7 7 THR N N 7 116.430 116.430 115.060 1.370 25934 1450 1 15 . 1 1 7 7 THR HA H 7 4.394 4.394 4.408 -0.014 25934 1451 1 15 . 1 1 7 7 THR H H 7 8.307 8.307 7.808 0.499 25934 1452 1 15 . 1 1 8 8 SER N N 8 118.551 118.551 116.535 2.016 25934 1453 1 15 . 1 1 8 8 SER HA H 8 4.467 4.467 4.301 0.166 25934 1454 1 15 . 1 1 8 8 SER H H 8 8.345 8.345 8.414 -0.069 25934 1455 1 15 . 1 1 9 9 GLN N N 9 123.019 123.019 121.224 1.795 25934 1456 1 15 . 1 1 9 9 GLN HA H 9 4.280 4.280 4.213 0.067 25934 1457 1 15 . 1 1 9 9 GLN H H 9 8.338 8.338 8.739 -0.401 25934 1458 1 15 . 1 1 10 10 LYS N N 10 123.679 123.679 117.776 5.903 25934 1459 1 15 . 1 1 10 10 LYS HA H 10 4.199 4.199 4.305 -0.106 25934 1460 1 15 . 1 1 10 10 LYS H H 10 8.258 8.258 7.577 0.681 25934 1461 1 15 . 1 1 11 11 SER N N 11 115.557 115.557 117.264 -1.707 25934 1462 1 15 . 1 1 11 11 SER HA H 11 4.534 4.534 4.992 -0.458 25934 1463 1 15 . 1 1 11 11 SER H H 11 7.659 7.659 7.857 -0.198 25934 1464 1 15 . 1 1 12 12 TYR N N 12 122.532 122.532 122.899 -0.367 25934 1465 1 15 . 1 1 12 12 TYR HA H 12 4.220 4.220 4.496 -0.276 25934 1466 1 15 . 1 1 12 12 TYR H H 12 8.585 8.585 8.926 -0.341 25934 1467 1 15 . 1 1 13 13 VAL N N 13 123.674 123.674 123.787 -0.113 25934 1468 1 15 . 1 1 13 13 VAL HA H 13 4.801 4.801 5.006 -0.205 25934 1469 1 15 . 1 1 13 13 VAL H H 13 8.253 8.253 8.294 -0.041 25934 1470 1 15 . 1 1 14 14 CYS N N 14 131.181 131.181 129.463 1.718 25934 1471 1 15 . 1 1 14 14 CYS HA H 14 5.078 5.078 5.024 0.054 25934 1472 1 15 . 1 1 14 14 CYS H H 14 9.362 9.362 9.253 0.109 25934 1473 1 15 . 1 1 15 15 PRO HA H 15 2.458 2.458 4.403 -1.945 25934 1474 1 15 . 1 1 16 16 ASN N N 16 119.946 119.946 116.200 3.746 25934 1475 1 15 . 1 1 16 16 ASN HA H 16 4.889 4.889 4.687 0.202 25934 1476 1 15 . 1 1 16 16 ASN H H 16 9.104 9.104 8.266 0.838 25934 1477 1 15 . 1 1 17 17 CYS N N 17 117.298 117.298 116.714 0.584 25934 1478 1 15 . 1 1 17 17 CYS HA H 17 5.136 5.136 4.825 0.311 25934 1479 1 15 . 1 1 17 17 CYS H H 17 8.202 8.202 7.834 0.368 25934 1480 1 15 . 1 1 18 18 GLY N N 18 113.723 113.723 109.545 4.178 25934 1481 1 15 . 1 1 18 18 GLY H H 18 8.092 8.092 8.657 -0.565 25934 1482 1 15 . 1 1 19 19 LYS N N 19 124.529 124.529 120.718 3.811 25934 1483 1 15 . 1 1 19 19 LYS HA H 19 3.963 3.963 4.396 -0.433 25934 1484 1 15 . 1 1 19 19 LYS H H 19 8.396 8.396 7.794 0.602 25934 1485 1 15 . 1 1 20 20 ILE N N 20 122.902 122.902 121.587 1.315 25934 1486 1 15 . 1 1 20 20 ILE HA H 20 4.619 4.619 5.406 -0.787 25934 1487 1 15 . 1 1 20 20 ILE H H 20 7.793 7.793 7.898 -0.105 25934 1488 1 15 . 1 1 21 21 PHE N N 21 126.244 126.244 125.106 1.138 25934 1489 1 15 . 1 1 21 21 PHE HA H 21 4.760 4.760 4.973 -0.213 25934 1490 1 15 . 1 1 21 21 PHE H H 21 9.361 9.361 9.048 0.313 25934 1491 1 15 . 1 1 22 22 ARG N N 22 125.051 125.051 122.829 2.222 25934 1492 1 15 . 1 1 22 22 ARG HA H 22 4.407 4.407 4.411 -0.004 25934 1493 1 15 . 1 1 22 22 ARG H H 22 9.016 9.016 8.755 0.261 25934 1494 1 15 . 1 1 23 23 TRP N N 23 118.871 118.871 118.040 0.831 25934 1495 1 15 . 1 1 23 23 TRP HA H 23 5.328 5.328 4.921 0.407 25934 1496 1 15 . 1 1 23 23 TRP H H 23 7.986 7.986 7.885 0.101 25934 1497 1 15 . 1 1 24 24 ARG N N 24 130.190 130.190 122.420 7.770 25934 1498 1 15 . 1 1 24 24 ARG HA H 24 3.041 3.041 3.829 -0.788 25934 1499 1 15 . 1 1 24 24 ARG H H 24 9.358 9.358 9.111 0.247 25934 1500 1 15 . 1 1 25 25 VAL N N 25 115.735 115.735 118.043 -2.308 25934 1501 1 15 . 1 1 25 25 VAL HA H 25 3.802 3.802 3.821 -0.019 25934 1502 1 15 . 1 1 25 25 VAL H H 25 8.598 8.598 8.281 0.317 25934 1503 1 15 . 1 1 26 26 ASN N N 26 119.272 119.272 117.943 1.329 25934 1504 1 15 . 1 1 26 26 ASN HA H 26 4.613 4.613 4.504 0.109 25934 1505 1 15 . 1 1 26 26 ASN H H 26 6.907 6.907 8.474 -1.567 25934 1506 1 15 . 1 1 27 27 PHE N N 27 124.971 124.971 122.860 2.111 25934 1507 1 15 . 1 1 27 27 PHE HA H 27 3.013 3.013 3.364 -0.351 25934 1508 1 15 . 1 1 27 27 PHE H H 27 7.487 7.487 7.627 -0.140 25934 1509 1 15 . 1 1 28 28 ILE N N 28 119.280 119.280 118.251 1.029 25934 1510 1 15 . 1 1 28 28 ILE HA H 28 3.277 3.277 3.434 -0.157 25934 1511 1 15 . 1 1 28 28 ILE H H 28 8.458 8.458 8.572 -0.114 25934 1512 1 15 . 1 1 29 29 ARG N N 29 119.668 119.668 120.680 -1.012 25934 1513 1 15 . 1 1 29 29 ARG HA H 29 3.900 3.900 3.777 0.123 25934 1514 1 15 . 1 1 29 29 ARG H H 29 7.577 7.577 7.939 -0.362 25934 1515 1 15 . 1 1 30 30 HIS N N 30 120.050 120.050 119.517 0.533 25934 1516 1 15 . 1 1 30 30 HIS HA H 30 4.258 4.258 4.216 0.042 25934 1517 1 15 . 1 1 30 30 HIS H H 30 7.620 7.620 7.805 -0.185 25934 1518 1 15 . 1 1 31 31 LEU N N 31 120.143 120.143 115.876 4.267 25934 1519 1 15 . 1 1 31 31 LEU HA H 31 3.773 3.773 3.899 -0.126 25934 1520 1 15 . 1 1 31 31 LEU H H 31 8.005 8.005 7.660 0.345 25934 1521 1 15 . 1 1 32 32 ARG N N 32 118.157 118.157 120.660 -2.503 25934 1522 1 15 . 1 1 32 32 ARG HA H 32 4.066 4.066 3.997 0.069 25934 1523 1 15 . 1 1 32 32 ARG H H 32 7.975 7.975 8.316 -0.341 25934 1524 1 15 . 1 1 33 33 SER N N 33 115.082 115.082 113.514 1.568 25934 1525 1 15 . 1 1 33 33 SER HA H 33 4.327 4.327 4.413 -0.086 25934 1526 1 15 . 1 1 33 33 SER H H 33 7.754 7.754 7.580 0.174 25934 1527 1 15 . 1 1 34 34 ARG N N 34 121.862 121.862 121.429 0.433 25934 1528 1 15 . 1 1 34 34 ARG HA H 34 4.190 4.190 4.096 0.094 25934 1529 1 15 . 1 1 34 34 ARG H H 34 7.558 7.558 7.243 0.315 25934 1530 1 15 . 1 1 35 35 ARG N N 35 121.550 121.550 117.206 4.344 25934 1531 1 15 . 1 1 35 35 ARG HA H 35 4.284 4.284 4.022 0.262 25934 1532 1 15 . 1 1 35 35 ARG H H 35 8.030 8.030 8.531 -0.501 25934 1533 1 15 . 1 1 36 36 GLU N N 36 122.012 122.012 117.232 4.780 25934 1534 1 15 . 1 1 36 36 GLU HA H 36 4.318 4.318 4.822 -0.504 25934 1535 1 15 . 1 1 36 36 GLU H H 36 8.274 8.274 8.547 -0.273 25934 1536 1 15 . 1 1 37 37 GLN N N 37 121.601 121.601 118.517 3.084 25934 1537 1 15 . 1 1 37 37 GLN HA H 37 4.269 4.269 4.146 0.123 25934 1538 1 15 . 1 1 37 37 GLN H H 37 8.238 8.238 8.184 0.054 25934 1539 1 15 . 1 1 38 38 LYS N N 38 124.607 124.607 117.673 6.934 25934 1540 1 15 . 1 1 38 38 LYS HA H 38 4.595 4.595 4.696 -0.101 25934 1541 1 15 . 1 1 38 38 LYS H H 38 8.348 8.348 8.058 0.290 25934 1542 1 15 . 1 1 39 39 PRO HA H 39 4.416 4.416 4.419 -0.003 25934 1543 1 15 . 1 1 40 40 HIS N N 40 120.882 120.882 119.746 1.136 25934 1544 1 15 . 1 1 40 40 HIS HA H 40 4.639 4.639 4.738 -0.099 25934 1545 1 15 . 1 1 40 40 HIS H H 40 8.565 8.565 7.946 0.619 25934 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 34 3.277 -1.785 2.789 25934 2 1 1 "Average Difference" HA 37 0.390 0.061 0.391 25934 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25934 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25934 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25934 6 1 1 "Average Difference" HN 34 0.580 -0.242 0.535 25934 7 1 2 "Average Difference" N 34 3.040 -1.344 2.768 25934 8 1 2 "Average Difference" HA 37 0.407 0.044 0.410 25934 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25934 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25934 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25934 12 1 2 "Average Difference" HN 34 0.449 -0.028 0.455 25934 13 1 3 "Average Difference" N 34 3.079 -1.910 2.452 25934 14 1 3 "Average Difference" HA 37 0.407 0.094 0.401 25934 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25934 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25934 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25934 18 1 3 "Average Difference" HN 34 0.582 -0.240 0.539 25934 19 1 4 "Average Difference" N 34 2.833 -0.923 2.718 25934 20 1 4 "Average Difference" HA 37 0.386 0.053 0.388 25934 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25934 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25934 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25934 24 1 4 "Average Difference" HN 34 0.443 0.004 0.450 25934 25 1 5 "Average Difference" N 34 3.135 -1.493 2.798 25934 26 1 5 "Average Difference" HA 37 0.398 0.049 0.401 25934 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25934 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25934 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25934 30 1 5 "Average Difference" HN 34 0.596 -0.210 0.566 25934 31 1 6 "Average Difference" N 34 3.596 -1.862 3.123 25934 32 1 6 "Average Difference" HA 37 0.407 -0.005 0.413 25934 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25934 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25934 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25934 36 1 6 "Average Difference" HN 34 0.419 -0.018 0.424 25934 37 1 7 "Average Difference" N 34 2.760 -1.501 2.351 25934 38 1 7 "Average Difference" HA 37 0.394 0.085 0.390 25934 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25934 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25934 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25934 42 1 7 "Average Difference" HN 34 0.439 -0.069 0.440 25934 43 1 8 "Average Difference" N 34 2.948 -1.510 2.570 25934 44 1 8 "Average Difference" HA 37 0.398 0.057 0.399 25934 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25934 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25934 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25934 48 1 8 "Average Difference" HN 34 0.590 -0.223 0.555 25934 49 1 9 "Average Difference" N 34 2.740 -0.974 2.599 25934 50 1 9 "Average Difference" HA 37 0.410 0.102 0.403 25934 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25934 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25934 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25934 54 1 9 "Average Difference" HN 34 0.458 -0.060 0.460 25934 55 1 10 "Average Difference" N 34 2.952 -1.165 2.753 25934 56 1 10 "Average Difference" HA 37 0.395 0.068 0.395 25934 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25934 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25934 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25934 60 1 10 "Average Difference" HN 34 0.533 -0.164 0.514 25934 61 1 11 "Average Difference" N 34 3.085 -1.644 2.650 25934 62 1 11 "Average Difference" HA 37 0.420 0.075 0.419 25934 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25934 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25934 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25934 66 1 11 "Average Difference" HN 34 0.492 -0.023 0.498 25934 67 1 12 "Average Difference" N 34 3.333 -1.605 2.965 25934 68 1 12 "Average Difference" HA 37 0.422 0.021 0.427 25934 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25934 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25934 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25934 72 1 12 "Average Difference" HN 34 0.446 0.024 0.452 25934 73 1 13 "Average Difference" N 34 3.187 -2.023 2.500 25934 74 1 13 "Average Difference" HA 37 0.415 0.009 0.420 25934 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25934 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 25934 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25934 78 1 13 "Average Difference" HN 34 0.543 -0.063 0.547 25934 79 1 14 "Average Difference" N 34 2.735 -1.259 2.464 25934 80 1 14 "Average Difference" HA 37 0.422 0.025 0.427 25934 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25934 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 25934 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25934 84 1 14 "Average Difference" HN 34 0.431 -0.036 0.436 25934 85 1 15 "Average Difference" N 34 3.158 -1.974 2.502 25934 86 1 15 "Average Difference" HA 37 0.429 0.102 0.422 25934 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25934 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 25934 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25934 90 1 15 "Average Difference" HN 34 0.451 -0.031 0.457 25934 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 25934 _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 5 5 VAL N N 5 122.612 122.612 121.394 1.218 25934 2 1 . 1 1 5 5 VAL HA H 5 4.134 4.134 3.996 0.138 25934 3 1 . 1 1 5 5 VAL H H 5 8.326 8.326 8.104 0.222 25934 4 1 . 1 1 6 6 GLN N N 6 125.548 125.548 124.069 1.479 25934 5 1 . 1 1 6 6 GLN HA H 6 4.454 4.454 4.354 0.100 25934 6 1 . 1 1 6 6 GLN H H 6 8.635 8.635 8.481 0.154 25934 7 1 . 1 1 7 7 THR N N 7 116.430 116.430 116.889 -0.459 25934 8 1 . 1 1 7 7 THR HA H 7 4.394 4.394 4.366 0.028 25934 9 1 . 1 1 7 7 THR H H 7 8.307 8.307 8.047 0.260 25934 10 1 . 1 1 8 8 SER N N 8 118.551 118.551 118.480 0.071 25934 11 1 . 1 1 8 8 SER HA H 8 4.467 4.467 4.376 0.091 25934 12 1 . 1 1 8 8 SER H H 8 8.345 8.345 8.531 -0.186 25934 13 1 . 1 1 9 9 GLN N N 9 123.019 123.019 120.635 2.384 25934 14 1 . 1 1 9 9 GLN HA H 9 4.280 4.280 4.220 0.060 25934 15 1 . 1 1 9 9 GLN H H 9 8.338 8.338 8.078 0.260 25934 16 1 . 1 1 10 10 LYS N N 10 123.679 123.679 119.611 4.068 25934 17 1 . 1 1 10 10 LYS HA H 10 4.199 4.199 4.210 -0.011 25934 18 1 . 1 1 10 10 LYS H H 10 8.258 8.258 7.743 0.515 25934 19 1 . 1 1 11 11 SER N N 11 115.557 115.557 116.111 -0.554 25934 20 1 . 1 1 11 11 SER HA H 11 4.534 4.534 4.570 -0.036 25934 21 1 . 1 1 11 11 SER H H 11 7.659 7.659 7.713 -0.054 25934 22 1 . 1 1 12 12 TYR N N 12 122.532 122.532 123.303 -0.771 25934 23 1 . 1 1 12 12 TYR HA H 12 4.220 4.220 4.308 -0.088 25934 24 1 . 1 1 12 12 TYR H H 12 8.585 8.585 8.258 0.327 25934 25 1 . 1 1 13 13 VAL N N 13 123.674 123.674 124.676 -1.002 25934 26 1 . 1 1 13 13 VAL HA H 13 4.801 4.801 5.010 -0.209 25934 27 1 . 1 1 13 13 VAL H H 13 8.253 8.253 8.341 -0.088 25934 28 1 . 1 1 14 14 CYS N N 14 131.181 131.181 129.254 1.927 25934 29 1 . 1 1 14 14 CYS HA H 14 5.078 5.078 5.057 0.021 25934 30 1 . 1 1 14 14 CYS H H 14 9.362 9.362 9.254 0.108 25934 31 1 . 1 1 15 15 PRO HA H 15 2.458 2.458 4.378 -1.920 25934 32 1 . 1 1 16 16 ASN N N 16 119.946 119.946 115.454 4.492 25934 33 1 . 1 1 16 16 ASN HA H 16 4.889 4.889 4.704 0.185 25934 34 1 . 1 1 16 16 ASN H H 16 9.104 9.104 8.265 0.840 25934 35 1 . 1 1 17 17 CYS N N 17 117.298 117.298 116.077 1.221 25934 36 1 . 1 1 17 17 CYS HA H 17 5.136 5.136 4.842 0.294 25934 37 1 . 1 1 17 17 CYS H H 17 8.202 8.202 7.799 0.403 25934 38 1 . 1 1 18 18 GLY N N 18 113.723 113.723 109.478 4.245 25934 39 1 . 1 1 18 18 GLY H H 18 8.092 8.092 8.664 -0.572 25934 40 1 . 1 1 19 19 LYS N N 19 124.529 124.529 120.806 3.723 25934 41 1 . 1 1 19 19 LYS HA H 19 3.963 3.963 4.350 -0.387 25934 42 1 . 1 1 19 19 LYS H H 19 8.396 8.396 7.753 0.643 25934 43 1 . 1 1 20 20 ILE N N 20 122.902 122.902 124.804 -1.902 25934 44 1 . 1 1 20 20 ILE HA H 20 4.619 4.619 5.109 -0.490 25934 45 1 . 1 1 20 20 ILE H H 20 7.793 7.793 8.133 -0.340 25934 46 1 . 1 1 21 21 PHE N N 21 126.244 126.244 126.515 -0.271 25934 47 1 . 1 1 21 21 PHE HA H 21 4.760 4.760 4.909 -0.149 25934 48 1 . 1 1 21 21 PHE H H 21 9.361 9.361 9.135 0.226 25934 49 1 . 1 1 22 22 ARG N N 22 125.051 125.051 121.926 3.125 25934 50 1 . 1 1 22 22 ARG HA H 22 4.407 4.407 4.394 0.013 25934 51 1 . 1 1 22 22 ARG H H 22 9.016 9.016 8.703 0.313 25934 52 1 . 1 1 23 23 TRP N N 23 118.871 118.871 117.778 1.093 25934 53 1 . 1 1 23 23 TRP HA H 23 5.328 5.328 4.906 0.422 25934 54 1 . 1 1 23 23 TRP H H 23 7.986 7.986 7.821 0.165 25934 55 1 . 1 1 24 24 ARG N N 24 130.190 130.190 122.837 7.353 25934 56 1 . 1 1 24 24 ARG HA H 24 3.041 3.041 3.616 -0.575 25934 57 1 . 1 1 24 24 ARG H H 24 9.358 9.358 8.937 0.421 25934 58 1 . 1 1 25 25 VAL N N 25 115.735 115.735 117.880 -2.145 25934 59 1 . 1 1 25 25 VAL HA H 25 3.802 3.802 3.784 0.018 25934 60 1 . 1 1 25 25 VAL H H 25 8.598 8.598 8.256 0.342 25934 61 1 . 1 1 26 26 ASN N N 26 119.272 119.272 117.677 1.595 25934 62 1 . 1 1 26 26 ASN HA H 26 4.613 4.613 4.481 0.132 25934 63 1 . 1 1 26 26 ASN H H 26 6.907 6.907 8.447 -1.540 25934 64 1 . 1 1 27 27 PHE N N 27 124.971 124.971 122.712 2.259 25934 65 1 . 1 1 27 27 PHE HA H 27 3.013 3.013 3.282 -0.269 25934 66 1 . 1 1 27 27 PHE H H 27 7.487 7.487 7.374 0.113 25934 67 1 . 1 1 28 28 ILE N N 28 119.280 119.280 118.424 0.856 25934 68 1 . 1 1 28 28 ILE HA H 28 3.277 3.277 3.433 -0.156 25934 69 1 . 1 1 28 28 ILE H H 28 8.458 8.458 8.513 -0.055 25934 70 1 . 1 1 29 29 ARG N N 29 119.668 119.668 120.319 -0.651 25934 71 1 . 1 1 29 29 ARG HA H 29 3.900 3.900 3.832 0.068 25934 72 1 . 1 1 29 29 ARG H H 29 7.577 7.577 7.734 -0.157 25934 73 1 . 1 1 30 30 HIS N N 30 120.050 120.050 118.998 1.052 25934 74 1 . 1 1 30 30 HIS HA H 30 4.258 4.258 4.277 -0.019 25934 75 1 . 1 1 30 30 HIS H H 30 7.620 7.620 7.773 -0.154 25934 76 1 . 1 1 31 31 LEU N N 31 120.143 120.143 117.894 2.249 25934 77 1 . 1 1 31 31 LEU HA H 31 3.773 3.773 3.855 -0.082 25934 78 1 . 1 1 31 31 LEU H H 31 8.005 8.005 7.889 0.116 25934 79 1 . 1 1 32 32 ARG N N 32 118.157 118.157 119.205 -1.048 25934 80 1 . 1 1 32 32 ARG HA H 32 4.066 4.066 4.008 0.058 25934 81 1 . 1 1 32 32 ARG H H 32 7.975 7.975 7.997 -0.022 25934 82 1 . 1 1 33 33 SER N N 33 115.082 115.082 113.781 1.301 25934 83 1 . 1 1 33 33 SER HA H 33 4.327 4.327 4.469 -0.142 25934 84 1 . 1 1 33 33 SER H H 33 7.754 7.754 7.658 0.096 25934 85 1 . 1 1 34 34 ARG N N 34 121.862 121.862 120.890 0.972 25934 86 1 . 1 1 34 34 ARG HA H 34 4.190 4.190 4.076 0.114 25934 87 1 . 1 1 34 34 ARG H H 34 7.558 7.558 7.486 0.072 25934 88 1 . 1 1 35 35 ARG N N 35 121.550 121.550 120.022 1.528 25934 89 1 . 1 1 35 35 ARG HA H 35 4.284 4.284 4.206 0.078 25934 90 1 . 1 1 35 35 ARG H H 35 8.030 8.030 8.096 -0.065 25934 91 1 . 1 1 36 36 GLU N N 36 122.012 122.012 119.800 2.212 25934 92 1 . 1 1 36 36 GLU HA H 36 4.318 4.318 4.358 -0.040 25934 93 1 . 1 1 36 36 GLU H H 36 8.274 8.274 8.238 0.036 25934 94 1 . 1 1 37 37 GLN N N 37 121.601 121.601 118.701 2.900 25934 95 1 . 1 1 37 37 GLN HA H 37 4.269 4.269 4.385 -0.116 25934 96 1 . 1 1 37 37 GLN H H 37 8.238 8.238 7.875 0.363 25934 97 1 . 1 1 38 38 LYS N N 38 124.607 124.607 121.065 3.542 25934 98 1 . 1 1 38 38 LYS HA H 38 4.595 4.595 4.599 -0.004 25934 99 1 . 1 1 38 38 LYS H H 38 8.348 8.348 8.366 -0.018 25934 100 1 . 1 1 39 39 PRO HA H 39 4.416 4.416 4.366 0.050 25934 101 1 . 1 1 40 40 HIS N N 40 120.882 120.882 116.874 4.008 25934 102 1 . 1 1 40 40 HIS HA H 40 4.639 4.639 4.558 0.081 25934 103 1 . 1 1 40 40 HIS H H 40 8.565 8.565 8.184 0.381 25934 stop_ save_