data_25421 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25421 _Entry.PDB_ID 2MXO 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 25421 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 GLU N N 2 120.667 120.667 120.225 0.442 25421 2 1 1 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.368 0.058 25421 3 1 1 . 1 1 2 2 GLU C C 2 175.960 175.960 175.975 -0.015 25421 4 1 1 . 1 1 2 2 GLU CA C 2 56.073 56.073 56.630 -0.557 25421 5 1 1 . 1 1 2 2 GLU CB C 2 30.439 30.439 30.279 0.160 25421 6 1 1 . 1 1 2 2 GLU H H 2 8.716 8.716 8.974 -0.258 25421 7 1 1 . 1 1 3 3 CYS N N 3 119.340 119.340 116.692 2.648 25421 8 1 1 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.690 0.132 25421 9 1 1 . 1 1 3 3 CYS C C 3 173.426 173.426 174.554 -1.128 25421 10 1 1 . 1 1 3 3 CYS CA C 3 54.700 54.700 56.583 -1.883 25421 11 1 1 . 1 1 3 3 CYS CB C 3 42.616 42.616 30.496 12.120 25421 12 1 1 . 1 1 3 3 CYS H H 3 8.457 8.457 8.402 0.055 25421 13 1 1 . 1 1 4 4 LYS N N 4 121.064 121.064 122.199 -1.135 25421 14 1 1 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.136 0.190 25421 15 1 1 . 1 1 4 4 LYS C C 4 174.620 174.620 176.995 -2.375 25421 16 1 1 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.780 -1.177 25421 17 1 1 . 1 1 4 4 LYS CB C 4 34.310 34.310 32.949 1.361 25421 18 1 1 . 1 1 4 4 LYS H H 4 8.763 8.763 8.203 0.560 25421 19 1 1 . 1 1 5 5 GLY N N 5 109.502 109.502 107.203 2.299 25421 20 1 1 . 1 1 5 5 GLY C C 5 171.833 171.833 173.421 -1.588 25421 21 1 1 . 1 1 5 5 GLY CA C 5 42.642 42.642 44.963 -2.321 25421 22 1 1 . 1 1 5 5 GLY H H 5 7.983 7.983 7.979 0.004 25421 23 1 1 . 1 1 6 6 PHE N N 6 117.331 117.331 119.294 -1.963 25421 24 1 1 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.898 -1.272 25421 25 1 1 . 1 1 6 6 PHE C C 6 176.435 176.435 174.804 1.631 25421 26 1 1 . 1 1 6 6 PHE CA C 6 57.913 57.913 58.128 -0.215 25421 27 1 1 . 1 1 6 6 PHE CB C 6 39.083 39.083 40.863 -1.780 25421 28 1 1 . 1 1 6 6 PHE H H 6 7.581 7.581 7.556 0.025 25421 29 1 1 . 1 1 7 7 TRP N N 7 123.869 123.869 115.807 8.062 25421 30 1 1 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.477 -0.889 25421 31 1 1 . 1 1 7 7 TRP C C 7 175.204 175.204 175.698 -0.494 25421 32 1 1 . 1 1 7 7 TRP CA C 7 58.520 58.520 55.751 2.769 25421 33 1 1 . 1 1 7 7 TRP CB C 7 28.287 28.287 28.978 -0.691 25421 34 1 1 . 1 1 7 7 TRP H H 7 8.997 8.997 7.038 1.959 25421 35 1 1 . 1 1 8 8 LYS N N 8 118.614 118.614 120.616 -2.002 25421 36 1 1 . 1 1 8 8 LYS HA H 8 4.510 4.510 4.227 0.283 25421 37 1 1 . 1 1 8 8 LYS C C 8 176.595 176.595 176.291 0.304 25421 38 1 1 . 1 1 8 8 LYS CA C 8 53.984 53.984 56.659 -2.675 25421 39 1 1 . 1 1 8 8 LYS CB C 8 32.796 32.796 32.240 0.556 25421 40 1 1 . 1 1 8 8 LYS H H 8 7.719 7.719 7.280 0.439 25421 41 1 1 . 1 1 9 9 SER N N 9 116.747 116.747 113.929 2.818 25421 42 1 1 . 1 1 9 9 SER HA H 9 4.808 4.808 4.865 -0.057 25421 43 1 1 . 1 1 9 9 SER C C 9 172.976 172.976 173.651 -0.675 25421 44 1 1 . 1 1 9 9 SER CA C 9 59.175 59.175 57.069 2.106 25421 45 1 1 . 1 1 9 9 SER CB C 9 63.827 63.827 63.636 0.191 25421 46 1 1 . 1 1 9 9 SER H H 9 8.430 8.430 8.250 0.180 25421 47 1 1 . 1 1 10 10 CYS N N 10 118.508 118.508 121.561 -3.053 25421 48 1 1 . 1 1 10 10 CYS HA H 10 4.978 4.978 5.087 -0.109 25421 49 1 1 . 1 1 10 10 CYS C C 10 172.556 172.556 173.221 -0.665 25421 50 1 1 . 1 1 10 10 CYS CA C 10 53.278 53.278 56.399 -3.121 25421 51 1 1 . 1 1 10 10 CYS CB C 10 46.760 46.760 31.102 15.658 25421 52 1 1 . 1 1 10 10 CYS H H 10 8.142 8.142 7.803 0.339 25421 53 1 1 . 1 1 11 11 VAL N N 11 122.963 122.963 114.727 8.236 25421 54 1 1 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.581 -0.246 25421 55 1 1 . 1 1 11 11 VAL CA C 11 59.324 59.324 57.045 2.279 25421 56 1 1 . 1 1 11 11 VAL CB C 11 32.923 32.923 32.440 0.483 25421 57 1 1 . 1 1 11 11 VAL H H 11 8.835 8.835 8.054 0.781 25421 58 1 1 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.380 -0.437 25421 59 1 1 . 1 1 12 12 PRO C C 12 176.806 176.806 177.875 -1.069 25421 60 1 1 . 1 1 12 12 PRO CA C 12 64.329 64.329 63.579 0.750 25421 61 1 1 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.341 0.448 25421 62 1 1 . 1 1 13 13 GLY N N 13 111.847 111.847 114.252 -2.405 25421 63 1 1 . 1 1 13 13 GLY C C 13 174.856 174.856 175.149 -0.293 25421 64 1 1 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.267 0.029 25421 65 1 1 . 1 1 13 13 GLY H H 13 8.826 8.826 8.714 0.112 25421 66 1 1 . 1 1 14 14 LYS N N 14 117.957 117.957 120.811 -2.854 25421 67 1 1 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.242 0.241 25421 68 1 1 . 1 1 14 14 LYS C C 14 175.718 175.718 176.890 -1.172 25421 69 1 1 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.852 -1.439 25421 70 1 1 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.431 -0.578 25421 71 1 1 . 1 1 14 14 LYS H H 14 7.590 7.590 7.514 0.075 25421 72 1 1 . 1 1 15 15 ASN N N 15 118.663 118.663 115.793 2.870 25421 73 1 1 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.478 0.199 25421 74 1 1 . 1 1 15 15 ASN C C 15 175.372 175.372 175.124 0.248 25421 75 1 1 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.833 -0.211 25421 76 1 1 . 1 1 15 15 ASN CB C 15 37.371 37.371 36.874 0.496 25421 77 1 1 . 1 1 15 15 ASN H H 15 8.473 8.473 8.062 0.411 25421 78 1 1 . 1 1 16 16 GLU N N 16 115.492 115.492 115.271 0.221 25421 79 1 1 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.166 0.138 25421 80 1 1 . 1 1 16 16 GLU C C 16 178.083 178.083 177.395 0.688 25421 81 1 1 . 1 1 16 16 GLU CA C 16 57.422 57.422 57.788 -0.366 25421 82 1 1 . 1 1 16 16 GLU CB C 16 32.526 32.526 30.018 2.508 25421 83 1 1 . 1 1 16 16 GLU H H 16 8.848 8.848 8.743 0.105 25421 84 1 1 . 1 1 17 17 CYS N N 17 117.244 117.244 117.702 -0.458 25421 85 1 1 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.080 1.096 25421 86 1 1 . 1 1 17 17 CYS C C 17 175.716 175.716 175.936 -0.220 25421 87 1 1 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.447 -4.917 25421 88 1 1 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.078 12.996 25421 89 1 1 . 1 1 17 17 CYS H H 17 8.278 8.278 8.198 0.080 25421 90 1 1 . 1 1 18 18 CYS N N 18 121.456 121.456 123.064 -1.608 25421 91 1 1 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.365 0.201 25421 92 1 1 . 1 1 18 18 CYS C C 18 172.720 172.720 175.939 -3.219 25421 93 1 1 . 1 1 18 18 CYS CA C 18 54.336 54.336 59.038 -4.702 25421 94 1 1 . 1 1 18 18 CYS CB C 18 41.143 41.143 27.497 13.646 25421 95 1 1 . 1 1 18 18 CYS H H 18 9.308 9.308 8.475 0.833 25421 96 1 1 . 1 1 19 19 SER N N 19 114.196 114.196 117.285 -3.089 25421 97 1 1 . 1 1 19 19 SER HA H 19 4.273 4.273 4.272 0.001 25421 98 1 1 . 1 1 19 19 SER C C 19 175.114 175.114 175.795 -0.681 25421 99 1 1 . 1 1 19 19 SER CA C 19 60.335 60.335 60.328 0.007 25421 100 1 1 . 1 1 19 19 SER CB C 19 63.047 63.047 63.484 -0.437 25421 101 1 1 . 1 1 19 19 SER H H 19 8.461 8.461 8.562 -0.101 25421 102 1 1 . 1 1 20 20 GLY N N 20 113.736 113.736 113.478 0.258 25421 103 1 1 . 1 1 20 20 GLY C C 20 173.468 173.468 174.107 -0.639 25421 104 1 1 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.848 -0.266 25421 105 1 1 . 1 1 20 20 GLY H H 20 8.836 8.836 8.660 0.176 25421 106 1 1 . 1 1 21 21 TYR N N 21 118.820 118.820 121.084 -2.264 25421 107 1 1 . 1 1 21 21 TYR HA H 21 5.269 5.269 4.834 0.435 25421 108 1 1 . 1 1 21 21 TYR C C 21 174.011 174.011 174.661 -0.650 25421 109 1 1 . 1 1 21 21 TYR CA C 21 56.055 56.055 57.370 -1.315 25421 110 1 1 . 1 1 21 21 TYR CB C 21 41.659 41.659 39.545 2.114 25421 111 1 1 . 1 1 21 21 TYR H H 21 8.276 8.276 7.936 0.340 25421 112 1 1 . 1 1 22 22 ALA N N 22 120.868 120.868 124.571 -3.703 25421 113 1 1 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.727 -0.074 25421 114 1 1 . 1 1 22 22 ALA C C 22 176.439 176.439 175.278 1.161 25421 115 1 1 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.043 0.928 25421 116 1 1 . 1 1 22 22 ALA CB C 22 23.106 23.106 22.140 0.966 25421 117 1 1 . 1 1 22 22 ALA H H 22 9.357 9.357 8.336 1.021 25421 118 1 1 . 1 1 23 23 CYS N N 23 122.679 122.679 118.226 4.453 25421 119 1 1 . 1 1 23 23 CYS HA H 23 4.565 4.565 5.172 -0.607 25421 120 1 1 . 1 1 23 23 CYS C C 23 174.530 174.530 174.871 -0.341 25421 121 1 1 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.306 -2.603 25421 122 1 1 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.423 12.417 25421 123 1 1 . 1 1 23 23 CYS H H 23 8.917 8.917 8.690 0.227 25421 124 1 1 . 1 1 24 24 SER N N 24 123.845 123.845 120.533 3.312 25421 125 1 1 . 1 1 24 24 SER HA H 24 4.455 4.455 4.885 -0.430 25421 126 1 1 . 1 1 24 24 SER C C 24 175.964 175.964 174.588 1.376 25421 127 1 1 . 1 1 24 24 SER CA C 24 57.449 57.449 57.102 0.347 25421 128 1 1 . 1 1 24 24 SER CB C 24 63.616 63.616 64.522 -0.906 25421 129 1 1 . 1 1 24 24 SER H H 24 8.057 8.057 8.638 -0.581 25421 130 1 1 . 1 1 25 25 SER N N 25 124.964 124.964 123.643 1.321 25421 131 1 1 . 1 1 25 25 SER HA H 25 3.977 3.977 4.217 -0.240 25421 132 1 1 . 1 1 25 25 SER C C 25 174.925 174.925 175.582 -0.657 25421 133 1 1 . 1 1 25 25 SER CA C 25 61.411 61.411 59.734 1.677 25421 134 1 1 . 1 1 25 25 SER CB C 25 62.650 62.650 63.257 -0.607 25421 135 1 1 . 1 1 25 25 SER H H 25 9.029 9.029 9.040 -0.011 25421 136 1 1 . 1 1 26 26 ARG N N 26 119.221 119.221 119.961 -0.740 25421 137 1 1 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.048 0.077 25421 138 1 1 . 1 1 26 26 ARG C C 26 177.031 177.031 176.779 0.252 25421 139 1 1 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.386 -0.451 25421 140 1 1 . 1 1 26 26 ARG CB C 26 31.120 31.120 30.333 0.787 25421 141 1 1 . 1 1 26 26 ARG H H 26 7.880 7.880 8.187 -0.307 25421 142 1 1 . 1 1 27 27 ASP N N 27 115.090 115.090 115.120 -0.030 25421 143 1 1 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.353 -0.080 25421 144 1 1 . 1 1 27 27 ASP CA C 27 54.557 54.557 53.271 1.286 25421 145 1 1 . 1 1 27 27 ASP CB C 27 40.955 40.955 40.808 0.147 25421 146 1 1 . 1 1 27 27 ASP H H 27 7.396 7.396 7.494 -0.098 25421 147 1 1 . 1 1 28 28 LYS N N 28 114.145 114.145 116.439 -2.294 25421 148 1 1 . 1 1 28 28 LYS HA H 28 3.842 3.842 3.937 -0.095 25421 149 1 1 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.369 0.117 25421 150 1 1 . 1 1 28 28 LYS CB C 28 28.066 28.066 30.123 -2.057 25421 151 1 1 . 1 1 28 28 LYS H H 28 8.096 8.096 7.866 0.230 25421 152 1 1 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.449 -0.052 25421 153 1 1 . 1 1 29 29 TRP C C 29 177.187 177.187 175.032 2.155 25421 154 1 1 . 1 1 29 29 TRP CA C 29 55.704 55.704 53.204 2.500 25421 155 1 1 . 1 1 29 29 TRP CB C 29 31.279 31.279 30.058 1.221 25421 156 1 1 . 1 1 30 30 CYS N N 30 119.238 119.238 119.118 0.120 25421 157 1 1 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.074 -0.178 25421 158 1 1 . 1 1 30 30 CYS C C 30 174.364 174.364 174.773 -0.409 25421 159 1 1 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.200 -2.615 25421 160 1 1 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.613 10.593 25421 161 1 1 . 1 1 30 30 CYS H H 30 8.447 8.447 8.202 0.245 25421 162 1 1 . 1 1 31 31 LYS N N 31 124.793 124.793 120.470 4.323 25421 163 1 1 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.921 0.120 25421 164 1 1 . 1 1 31 31 LYS C C 31 175.662 175.662 175.040 0.622 25421 165 1 1 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.264 0.911 25421 166 1 1 . 1 1 31 31 LYS CB C 31 35.875 35.875 36.026 -0.151 25421 167 1 1 . 1 1 31 31 LYS H H 31 9.191 9.191 8.823 0.368 25421 168 1 1 . 1 1 32 32 VAL N N 32 121.483 121.483 121.426 0.057 25421 169 1 1 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.847 -0.026 25421 170 1 1 . 1 1 32 32 VAL C C 32 175.973 175.973 174.829 1.144 25421 171 1 1 . 1 1 32 32 VAL CA C 32 64.073 64.073 60.729 3.344 25421 172 1 1 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.826 -1.458 25421 173 1 1 . 1 1 32 32 VAL H H 32 8.424 8.424 8.556 -0.133 25421 174 1 1 . 1 1 33 33 LEU N N 33 128.865 128.865 128.720 0.145 25421 175 1 1 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.205 0.102 25421 176 1 1 . 1 1 33 33 LEU C C 33 175.217 175.217 177.625 -2.408 25421 177 1 1 . 1 1 33 33 LEU CA C 33 55.315 55.315 55.627 -0.312 25421 178 1 1 . 1 1 33 33 LEU CB C 33 42.589 42.589 41.395 1.194 25421 179 1 1 . 1 1 33 33 LEU H H 33 8.045 8.045 8.207 -0.162 25421 180 1 2 . 1 1 2 2 GLU N N 2 120.667 120.667 120.162 0.505 25421 181 1 2 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.647 -0.221 25421 182 1 2 . 1 1 2 2 GLU C C 2 175.960 175.960 175.928 0.032 25421 183 1 2 . 1 1 2 2 GLU CA C 2 56.073 56.073 55.865 0.208 25421 184 1 2 . 1 1 2 2 GLU CB C 2 30.439 30.439 31.237 -0.798 25421 185 1 2 . 1 1 2 2 GLU H H 2 8.716 8.716 8.184 0.532 25421 186 1 2 . 1 1 3 3 CYS N N 3 119.340 119.340 119.343 -0.003 25421 187 1 2 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.522 0.300 25421 188 1 2 . 1 1 3 3 CYS C C 3 173.426 173.426 175.256 -1.830 25421 189 1 2 . 1 1 3 3 CYS CA C 3 54.700 54.700 57.464 -2.764 25421 190 1 2 . 1 1 3 3 CYS CB C 3 42.616 42.616 28.316 14.300 25421 191 1 2 . 1 1 3 3 CYS H H 3 8.457 8.457 8.465 -0.008 25421 192 1 2 . 1 1 4 4 LYS N N 4 121.064 121.064 123.414 -2.350 25421 193 1 2 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.189 0.137 25421 194 1 2 . 1 1 4 4 LYS C C 4 174.620 174.620 177.245 -2.625 25421 195 1 2 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.820 -1.217 25421 196 1 2 . 1 1 4 4 LYS CB C 4 34.310 34.310 33.001 1.309 25421 197 1 2 . 1 1 4 4 LYS H H 4 8.763 8.763 8.265 0.498 25421 198 1 2 . 1 1 5 5 GLY N N 5 109.502 109.502 107.423 2.079 25421 199 1 2 . 1 1 5 5 GLY C C 5 171.833 171.833 173.771 -1.938 25421 200 1 2 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.318 -2.676 25421 201 1 2 . 1 1 5 5 GLY H H 5 7.983 7.983 8.205 -0.222 25421 202 1 2 . 1 1 6 6 PHE N N 6 117.331 117.331 118.946 -1.615 25421 203 1 2 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.953 -1.327 25421 204 1 2 . 1 1 6 6 PHE C C 6 176.435 176.435 175.467 0.968 25421 205 1 2 . 1 1 6 6 PHE CA C 6 57.913 57.913 58.343 -0.430 25421 206 1 2 . 1 1 6 6 PHE CB C 6 39.083 39.083 41.258 -2.175 25421 207 1 2 . 1 1 6 6 PHE H H 6 7.581 7.581 8.213 -0.632 25421 208 1 2 . 1 1 7 7 TRP N N 7 123.869 123.869 119.979 3.890 25421 209 1 2 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.350 -0.762 25421 210 1 2 . 1 1 7 7 TRP C C 7 175.204 175.204 175.862 -0.658 25421 211 1 2 . 1 1 7 7 TRP CA C 7 58.520 58.520 57.509 1.011 25421 212 1 2 . 1 1 7 7 TRP CB C 7 28.287 28.287 30.126 -1.839 25421 213 1 2 . 1 1 7 7 TRP H H 7 8.997 8.997 8.015 0.982 25421 214 1 2 . 1 1 8 8 LYS N N 8 118.614 118.614 119.070 -0.456 25421 215 1 2 . 1 1 8 8 LYS HA H 8 4.510 4.510 4.225 0.285 25421 216 1 2 . 1 1 8 8 LYS C C 8 176.595 176.595 175.769 0.826 25421 217 1 2 . 1 1 8 8 LYS CA C 8 53.984 53.984 57.009 -3.025 25421 218 1 2 . 1 1 8 8 LYS CB C 8 32.796 32.796 32.692 0.104 25421 219 1 2 . 1 1 8 8 LYS H H 8 7.719 7.719 7.822 -0.103 25421 220 1 2 . 1 1 9 9 SER N N 9 116.747 116.747 113.803 2.944 25421 221 1 2 . 1 1 9 9 SER HA H 9 4.808 4.808 4.931 -0.123 25421 222 1 2 . 1 1 9 9 SER C C 9 172.976 172.976 173.647 -0.671 25421 223 1 2 . 1 1 9 9 SER CA C 9 59.175 59.175 57.097 2.078 25421 224 1 2 . 1 1 9 9 SER CB C 9 63.827 63.827 63.685 0.142 25421 225 1 2 . 1 1 9 9 SER H H 9 8.430 8.430 8.250 0.180 25421 226 1 2 . 1 1 10 10 CYS N N 10 118.508 118.508 120.429 -1.921 25421 227 1 2 . 1 1 10 10 CYS HA H 10 4.978 4.978 4.898 0.080 25421 228 1 2 . 1 1 10 10 CYS C C 10 172.556 172.556 173.561 -1.005 25421 229 1 2 . 1 1 10 10 CYS CA C 10 53.278 53.278 55.983 -2.705 25421 230 1 2 . 1 1 10 10 CYS CB C 10 46.760 46.760 30.645 16.115 25421 231 1 2 . 1 1 10 10 CYS H H 10 8.142 8.142 8.420 -0.278 25421 232 1 2 . 1 1 11 11 VAL N N 11 122.963 122.963 115.551 7.412 25421 233 1 2 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.617 -0.282 25421 234 1 2 . 1 1 11 11 VAL CA C 11 59.324 59.324 58.506 0.818 25421 235 1 2 . 1 1 11 11 VAL CB C 11 32.923 32.923 32.912 0.011 25421 236 1 2 . 1 1 11 11 VAL H H 11 8.835 8.835 8.367 0.468 25421 237 1 2 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.404 -0.461 25421 238 1 2 . 1 1 12 12 PRO C C 12 176.806 176.806 177.721 -0.915 25421 239 1 2 . 1 1 12 12 PRO CA C 12 64.329 64.329 63.987 0.342 25421 240 1 2 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.246 0.543 25421 241 1 2 . 1 1 13 13 GLY N N 13 111.847 111.847 112.912 -1.065 25421 242 1 2 . 1 1 13 13 GLY C C 13 174.856 174.856 175.020 -0.164 25421 243 1 2 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.057 0.239 25421 244 1 2 . 1 1 13 13 GLY H H 13 8.826 8.826 8.602 0.224 25421 245 1 2 . 1 1 14 14 LYS N N 14 117.957 117.957 120.704 -2.747 25421 246 1 2 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.310 0.173 25421 247 1 2 . 1 1 14 14 LYS C C 14 175.718 175.718 176.946 -1.228 25421 248 1 2 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.493 -1.080 25421 249 1 2 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.459 -0.606 25421 250 1 2 . 1 1 14 14 LYS H H 14 7.590 7.590 7.632 -0.042 25421 251 1 2 . 1 1 15 15 ASN N N 15 118.663 118.663 117.334 1.329 25421 252 1 2 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.469 0.208 25421 253 1 2 . 1 1 15 15 ASN C C 15 175.372 175.372 175.140 0.232 25421 254 1 2 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.719 -0.097 25421 255 1 2 . 1 1 15 15 ASN CB C 15 37.371 37.371 37.588 -0.217 25421 256 1 2 . 1 1 15 15 ASN H H 15 8.473 8.473 8.019 0.454 25421 257 1 2 . 1 1 16 16 GLU N N 16 115.492 115.492 115.454 0.038 25421 258 1 2 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.152 0.152 25421 259 1 2 . 1 1 16 16 GLU C C 16 178.083 178.083 177.294 0.789 25421 260 1 2 . 1 1 16 16 GLU CA C 16 57.422 57.422 58.140 -0.718 25421 261 1 2 . 1 1 16 16 GLU CB C 16 32.526 32.526 29.913 2.612 25421 262 1 2 . 1 1 16 16 GLU H H 16 8.848 8.848 8.584 0.264 25421 263 1 2 . 1 1 17 17 CYS N N 17 117.244 117.244 117.422 -0.178 25421 264 1 2 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.143 1.033 25421 265 1 2 . 1 1 17 17 CYS C C 17 175.716 175.716 176.026 -0.310 25421 266 1 2 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.284 -4.754 25421 267 1 2 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.004 13.070 25421 268 1 2 . 1 1 17 17 CYS H H 17 8.278 8.278 8.169 0.109 25421 269 1 2 . 1 1 18 18 CYS N N 18 121.456 121.456 123.445 -1.989 25421 270 1 2 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.381 0.185 25421 271 1 2 . 1 1 18 18 CYS C C 18 172.720 172.720 175.980 -3.260 25421 272 1 2 . 1 1 18 18 CYS CA C 18 54.336 54.336 59.133 -4.797 25421 273 1 2 . 1 1 18 18 CYS CB C 18 41.143 41.143 27.512 13.631 25421 274 1 2 . 1 1 18 18 CYS H H 18 9.308 9.308 8.527 0.781 25421 275 1 2 . 1 1 19 19 SER N N 19 114.196 114.196 117.279 -3.083 25421 276 1 2 . 1 1 19 19 SER HA H 19 4.273 4.273 4.270 0.003 25421 277 1 2 . 1 1 19 19 SER C C 19 175.114 175.114 175.800 -0.686 25421 278 1 2 . 1 1 19 19 SER CA C 19 60.335 60.335 60.482 -0.147 25421 279 1 2 . 1 1 19 19 SER CB C 19 63.047 63.047 63.456 -0.409 25421 280 1 2 . 1 1 19 19 SER H H 19 8.461 8.461 8.564 -0.103 25421 281 1 2 . 1 1 20 20 GLY N N 20 113.736 113.736 113.675 0.061 25421 282 1 2 . 1 1 20 20 GLY C C 20 173.468 173.468 174.192 -0.724 25421 283 1 2 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.931 -0.349 25421 284 1 2 . 1 1 20 20 GLY H H 20 8.836 8.836 8.848 -0.012 25421 285 1 2 . 1 1 21 21 TYR N N 21 118.820 118.820 121.069 -2.249 25421 286 1 2 . 1 1 21 21 TYR HA H 21 5.269 5.269 4.852 0.417 25421 287 1 2 . 1 1 21 21 TYR C C 21 174.011 174.011 174.660 -0.649 25421 288 1 2 . 1 1 21 21 TYR CA C 21 56.055 56.055 57.392 -1.337 25421 289 1 2 . 1 1 21 21 TYR CB C 21 41.659 41.659 39.613 2.046 25421 290 1 2 . 1 1 21 21 TYR H H 21 8.276 8.276 7.984 0.292 25421 291 1 2 . 1 1 22 22 ALA N N 22 120.868 120.868 124.081 -3.213 25421 292 1 2 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.657 -0.004 25421 293 1 2 . 1 1 22 22 ALA C C 22 176.439 176.439 174.942 1.497 25421 294 1 2 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.877 0.094 25421 295 1 2 . 1 1 22 22 ALA CB C 22 23.106 23.106 21.598 1.508 25421 296 1 2 . 1 1 22 22 ALA H H 22 9.357 9.357 8.400 0.957 25421 297 1 2 . 1 1 23 23 CYS N N 23 122.679 122.679 118.144 4.535 25421 298 1 2 . 1 1 23 23 CYS HA H 23 4.565 4.565 4.973 -0.408 25421 299 1 2 . 1 1 23 23 CYS C C 23 174.530 174.530 174.811 -0.281 25421 300 1 2 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.281 -2.577 25421 301 1 2 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.474 12.366 25421 302 1 2 . 1 1 23 23 CYS H H 23 8.917 8.917 8.418 0.499 25421 303 1 2 . 1 1 24 24 SER N N 24 123.845 123.845 120.536 3.309 25421 304 1 2 . 1 1 24 24 SER HA H 24 4.455 4.455 4.952 -0.497 25421 305 1 2 . 1 1 24 24 SER C C 24 175.964 175.964 174.929 1.035 25421 306 1 2 . 1 1 24 24 SER CA C 24 57.449 57.449 56.941 0.508 25421 307 1 2 . 1 1 24 24 SER CB C 24 63.616 63.616 64.437 -0.821 25421 308 1 2 . 1 1 24 24 SER H H 24 8.057 8.057 8.562 -0.505 25421 309 1 2 . 1 1 25 25 SER N N 25 124.964 124.964 123.877 1.087 25421 310 1 2 . 1 1 25 25 SER HA H 25 3.977 3.977 4.234 -0.257 25421 311 1 2 . 1 1 25 25 SER C C 25 174.925 174.925 175.455 -0.530 25421 312 1 2 . 1 1 25 25 SER CA C 25 61.411 61.411 59.769 1.642 25421 313 1 2 . 1 1 25 25 SER CB C 25 62.650 62.650 63.424 -0.774 25421 314 1 2 . 1 1 25 25 SER H H 25 9.029 9.029 8.989 0.040 25421 315 1 2 . 1 1 26 26 ARG N N 26 119.221 119.221 120.219 -0.998 25421 316 1 2 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.031 0.094 25421 317 1 2 . 1 1 26 26 ARG C C 26 177.031 177.031 176.300 0.731 25421 318 1 2 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.349 -0.414 25421 319 1 2 . 1 1 26 26 ARG CB C 26 31.120 31.120 29.908 1.212 25421 320 1 2 . 1 1 26 26 ARG H H 26 7.880 7.880 8.197 -0.317 25421 321 1 2 . 1 1 27 27 ASP N N 27 115.090 115.090 115.165 -0.075 25421 322 1 2 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.278 -0.005 25421 323 1 2 . 1 1 27 27 ASP CA C 27 54.557 54.557 53.196 1.361 25421 324 1 2 . 1 1 27 27 ASP CB C 27 40.955 40.955 40.881 0.074 25421 325 1 2 . 1 1 27 27 ASP H H 27 7.396 7.396 7.380 0.016 25421 326 1 2 . 1 1 28 28 LYS N N 28 114.145 114.145 116.911 -2.766 25421 327 1 2 . 1 1 28 28 LYS HA H 28 3.842 3.842 3.880 -0.038 25421 328 1 2 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.270 0.216 25421 329 1 2 . 1 1 28 28 LYS CB C 28 28.066 28.066 30.015 -1.949 25421 330 1 2 . 1 1 28 28 LYS H H 28 8.096 8.096 7.882 0.214 25421 331 1 2 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.343 0.054 25421 332 1 2 . 1 1 29 29 TRP C C 29 177.187 177.187 174.926 2.261 25421 333 1 2 . 1 1 29 29 TRP CA C 29 55.704 55.704 53.118 2.586 25421 334 1 2 . 1 1 29 29 TRP CB C 29 31.279 31.279 29.844 1.435 25421 335 1 2 . 1 1 30 30 CYS N N 30 119.238 119.238 119.043 0.195 25421 336 1 2 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.074 -0.178 25421 337 1 2 . 1 1 30 30 CYS C C 30 174.364 174.364 174.763 -0.399 25421 338 1 2 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.144 -2.558 25421 339 1 2 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.731 10.475 25421 340 1 2 . 1 1 30 30 CYS H H 30 8.447 8.447 8.066 0.381 25421 341 1 2 . 1 1 31 31 LYS N N 31 124.793 124.793 120.824 3.969 25421 342 1 2 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.904 0.137 25421 343 1 2 . 1 1 31 31 LYS C C 31 175.662 175.662 174.910 0.752 25421 344 1 2 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.132 1.044 25421 345 1 2 . 1 1 31 31 LYS CB C 31 35.875 35.875 35.954 -0.079 25421 346 1 2 . 1 1 31 31 LYS H H 31 9.191 9.191 8.853 0.338 25421 347 1 2 . 1 1 32 32 VAL N N 32 121.483 121.483 122.259 -0.776 25421 348 1 2 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.902 -0.081 25421 349 1 2 . 1 1 32 32 VAL C C 32 175.973 175.973 174.880 1.093 25421 350 1 2 . 1 1 32 32 VAL CA C 32 64.073 64.073 59.353 4.720 25421 351 1 2 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.332 -0.964 25421 352 1 2 . 1 1 32 32 VAL H H 32 8.424 8.424 8.581 -0.157 25421 353 1 2 . 1 1 33 33 LEU N N 33 128.865 128.865 129.641 -0.776 25421 354 1 2 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.231 0.076 25421 355 1 2 . 1 1 33 33 LEU C C 33 175.217 175.217 176.904 -1.687 25421 356 1 2 . 1 1 33 33 LEU CA C 33 55.315 55.315 55.360 -0.045 25421 357 1 2 . 1 1 33 33 LEU CB C 33 42.589 42.589 42.058 0.531 25421 358 1 2 . 1 1 33 33 LEU H H 33 8.045 8.045 8.217 -0.172 25421 359 1 3 . 1 1 2 2 GLU N N 2 120.667 120.667 119.755 0.912 25421 360 1 3 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.448 -0.022 25421 361 1 3 . 1 1 2 2 GLU C C 2 175.960 175.960 175.865 0.095 25421 362 1 3 . 1 1 2 2 GLU CA C 2 56.073 56.073 56.470 -0.397 25421 363 1 3 . 1 1 2 2 GLU CB C 2 30.439 30.439 30.322 0.117 25421 364 1 3 . 1 1 2 2 GLU H H 2 8.716 8.716 8.944 -0.228 25421 365 1 3 . 1 1 3 3 CYS N N 3 119.340 119.340 117.672 1.668 25421 366 1 3 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.657 0.165 25421 367 1 3 . 1 1 3 3 CYS C C 3 173.426 173.426 174.543 -1.117 25421 368 1 3 . 1 1 3 3 CYS CA C 3 54.700 54.700 56.343 -1.643 25421 369 1 3 . 1 1 3 3 CYS CB C 3 42.616 42.616 30.284 12.332 25421 370 1 3 . 1 1 3 3 CYS H H 3 8.457 8.457 8.441 0.016 25421 371 1 3 . 1 1 4 4 LYS N N 4 121.064 121.064 122.278 -1.214 25421 372 1 3 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.144 0.182 25421 373 1 3 . 1 1 4 4 LYS C C 4 174.620 174.620 176.968 -2.348 25421 374 1 3 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.689 -1.086 25421 375 1 3 . 1 1 4 4 LYS CB C 4 34.310 34.310 32.947 1.363 25421 376 1 3 . 1 1 4 4 LYS H H 4 8.763 8.763 8.207 0.556 25421 377 1 3 . 1 1 5 5 GLY N N 5 109.502 109.502 107.205 2.297 25421 378 1 3 . 1 1 5 5 GLY C C 5 171.833 171.833 173.500 -1.667 25421 379 1 3 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.018 -2.376 25421 380 1 3 . 1 1 5 5 GLY H H 5 7.983 7.983 7.972 0.011 25421 381 1 3 . 1 1 6 6 PHE N N 6 117.331 117.331 119.547 -2.216 25421 382 1 3 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.889 -1.263 25421 383 1 3 . 1 1 6 6 PHE C C 6 176.435 176.435 174.929 1.506 25421 384 1 3 . 1 1 6 6 PHE CA C 6 57.913 57.913 58.115 -0.202 25421 385 1 3 . 1 1 6 6 PHE CB C 6 39.083 39.083 40.933 -1.850 25421 386 1 3 . 1 1 6 6 PHE H H 6 7.581 7.581 7.725 -0.144 25421 387 1 3 . 1 1 7 7 TRP N N 7 123.869 123.869 116.705 7.164 25421 388 1 3 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.575 -0.987 25421 389 1 3 . 1 1 7 7 TRP C C 7 175.204 175.204 175.682 -0.478 25421 390 1 3 . 1 1 7 7 TRP CA C 7 58.520 58.520 55.800 2.720 25421 391 1 3 . 1 1 7 7 TRP CB C 7 28.287 28.287 28.953 -0.666 25421 392 1 3 . 1 1 7 7 TRP H H 7 8.997 8.997 7.304 1.692 25421 393 1 3 . 1 1 8 8 LYS N N 8 118.614 118.614 121.486 -2.872 25421 394 1 3 . 1 1 8 8 LYS HA H 8 4.510 4.510 4.226 0.283 25421 395 1 3 . 1 1 8 8 LYS C C 8 176.595 176.595 176.052 0.543 25421 396 1 3 . 1 1 8 8 LYS CA C 8 53.984 53.984 56.241 -2.257 25421 397 1 3 . 1 1 8 8 LYS CB C 8 32.796 32.796 32.856 -0.060 25421 398 1 3 . 1 1 8 8 LYS H H 8 7.719 7.719 7.299 0.420 25421 399 1 3 . 1 1 9 9 SER N N 9 116.747 116.747 114.642 2.105 25421 400 1 3 . 1 1 9 9 SER HA H 9 4.808 4.808 4.859 -0.051 25421 401 1 3 . 1 1 9 9 SER C C 9 172.976 172.976 173.209 -0.233 25421 402 1 3 . 1 1 9 9 SER CA C 9 59.175 59.175 57.569 1.605 25421 403 1 3 . 1 1 9 9 SER CB C 9 63.827 63.827 63.815 0.012 25421 404 1 3 . 1 1 9 9 SER H H 9 8.430 8.430 8.297 0.133 25421 405 1 3 . 1 1 10 10 CYS N N 10 118.508 118.508 121.371 -2.863 25421 406 1 3 . 1 1 10 10 CYS HA H 10 4.978 4.978 5.183 -0.205 25421 407 1 3 . 1 1 10 10 CYS C C 10 172.556 172.556 173.150 -0.594 25421 408 1 3 . 1 1 10 10 CYS CA C 10 53.278 53.278 56.118 -2.841 25421 409 1 3 . 1 1 10 10 CYS CB C 10 46.760 46.760 31.276 15.484 25421 410 1 3 . 1 1 10 10 CYS H H 10 8.142 8.142 7.903 0.239 25421 411 1 3 . 1 1 11 11 VAL N N 11 122.963 122.963 114.948 8.015 25421 412 1 3 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.693 -0.358 25421 413 1 3 . 1 1 11 11 VAL CA C 11 59.324 59.324 57.716 1.608 25421 414 1 3 . 1 1 11 11 VAL CB C 11 32.923 32.923 32.359 0.564 25421 415 1 3 . 1 1 11 11 VAL H H 11 8.835 8.835 8.376 0.459 25421 416 1 3 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.435 -0.492 25421 417 1 3 . 1 1 12 12 PRO C C 12 176.806 176.806 177.659 -0.853 25421 418 1 3 . 1 1 12 12 PRO CA C 12 64.329 64.329 64.000 0.329 25421 419 1 3 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.470 0.319 25421 420 1 3 . 1 1 13 13 GLY N N 13 111.847 111.847 112.963 -1.116 25421 421 1 3 . 1 1 13 13 GLY C C 13 174.856 174.856 175.029 -0.173 25421 422 1 3 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.060 0.236 25421 423 1 3 . 1 1 13 13 GLY H H 13 8.826 8.826 8.609 0.217 25421 424 1 3 . 1 1 14 14 LYS N N 14 117.957 117.957 121.134 -3.177 25421 425 1 3 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.320 0.163 25421 426 1 3 . 1 1 14 14 LYS C C 14 175.718 175.718 176.850 -1.132 25421 427 1 3 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.518 -1.105 25421 428 1 3 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.443 -0.590 25421 429 1 3 . 1 1 14 14 LYS H H 14 7.590 7.590 7.641 -0.051 25421 430 1 3 . 1 1 15 15 ASN N N 15 118.663 118.663 117.250 1.413 25421 431 1 3 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.474 0.203 25421 432 1 3 . 1 1 15 15 ASN C C 15 175.372 175.372 175.311 0.061 25421 433 1 3 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.588 0.034 25421 434 1 3 . 1 1 15 15 ASN CB C 15 37.371 37.371 37.039 0.332 25421 435 1 3 . 1 1 15 15 ASN H H 15 8.473 8.473 8.017 0.456 25421 436 1 3 . 1 1 16 16 GLU N N 16 115.492 115.492 114.794 0.698 25421 437 1 3 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.098 0.206 25421 438 1 3 . 1 1 16 16 GLU C C 16 178.083 178.083 177.244 0.839 25421 439 1 3 . 1 1 16 16 GLU CA C 16 57.422 57.422 58.164 -0.742 25421 440 1 3 . 1 1 16 16 GLU CB C 16 32.526 32.526 29.879 2.647 25421 441 1 3 . 1 1 16 16 GLU H H 16 8.848 8.848 8.633 0.215 25421 442 1 3 . 1 1 17 17 CYS N N 17 117.244 117.244 117.156 0.088 25421 443 1 3 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.092 1.084 25421 444 1 3 . 1 1 17 17 CYS C C 17 175.716 175.716 176.002 -0.286 25421 445 1 3 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.196 -4.666 25421 446 1 3 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.057 13.017 25421 447 1 3 . 1 1 17 17 CYS H H 17 8.278 8.278 8.120 0.158 25421 448 1 3 . 1 1 18 18 CYS N N 18 121.456 121.456 123.011 -1.555 25421 449 1 3 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.366 0.200 25421 450 1 3 . 1 1 18 18 CYS C C 18 172.720 172.720 175.937 -3.217 25421 451 1 3 . 1 1 18 18 CYS CA C 18 54.336 54.336 59.067 -4.731 25421 452 1 3 . 1 1 18 18 CYS CB C 18 41.143 41.143 27.529 13.614 25421 453 1 3 . 1 1 18 18 CYS H H 18 9.308 9.308 8.482 0.827 25421 454 1 3 . 1 1 19 19 SER N N 19 114.196 114.196 117.294 -3.098 25421 455 1 3 . 1 1 19 19 SER HA H 19 4.273 4.273 4.267 0.006 25421 456 1 3 . 1 1 19 19 SER C C 19 175.114 175.114 175.783 -0.669 25421 457 1 3 . 1 1 19 19 SER CA C 19 60.335 60.335 60.368 -0.033 25421 458 1 3 . 1 1 19 19 SER CB C 19 63.047 63.047 63.468 -0.420 25421 459 1 3 . 1 1 19 19 SER H H 19 8.461 8.461 8.571 -0.110 25421 460 1 3 . 1 1 20 20 GLY N N 20 113.736 113.736 113.484 0.252 25421 461 1 3 . 1 1 20 20 GLY C C 20 173.468 173.468 174.122 -0.654 25421 462 1 3 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.851 -0.269 25421 463 1 3 . 1 1 20 20 GLY H H 20 8.836 8.836 8.661 0.175 25421 464 1 3 . 1 1 21 21 TYR N N 21 118.820 118.820 121.168 -2.348 25421 465 1 3 . 1 1 21 21 TYR HA H 21 5.269 5.269 4.832 0.437 25421 466 1 3 . 1 1 21 21 TYR C C 21 174.011 174.011 174.625 -0.614 25421 467 1 3 . 1 1 21 21 TYR CA C 21 56.055 56.055 57.371 -1.316 25421 468 1 3 . 1 1 21 21 TYR CB C 21 41.659 41.659 39.536 2.123 25421 469 1 3 . 1 1 21 21 TYR H H 21 8.276 8.276 8.011 0.265 25421 470 1 3 . 1 1 22 22 ALA N N 22 120.868 120.868 123.756 -2.888 25421 471 1 3 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.659 -0.006 25421 472 1 3 . 1 1 22 22 ALA C C 22 176.439 176.439 175.218 1.221 25421 473 1 3 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.615 0.356 25421 474 1 3 . 1 1 22 22 ALA CB C 22 23.106 23.106 21.647 1.459 25421 475 1 3 . 1 1 22 22 ALA H H 22 9.357 9.357 8.301 1.056 25421 476 1 3 . 1 1 23 23 CYS N N 23 122.679 122.679 118.053 4.626 25421 477 1 3 . 1 1 23 23 CYS HA H 23 4.565 4.565 5.107 -0.542 25421 478 1 3 . 1 1 23 23 CYS C C 23 174.530 174.530 174.823 -0.293 25421 479 1 3 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.259 -2.555 25421 480 1 3 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.496 12.344 25421 481 1 3 . 1 1 23 23 CYS H H 23 8.917 8.917 8.414 0.503 25421 482 1 3 . 1 1 24 24 SER N N 24 123.845 123.845 120.491 3.354 25421 483 1 3 . 1 1 24 24 SER HA H 24 4.455 4.455 4.977 -0.522 25421 484 1 3 . 1 1 24 24 SER C C 24 175.964 175.964 174.963 1.001 25421 485 1 3 . 1 1 24 24 SER CA C 24 57.449 57.449 56.980 0.469 25421 486 1 3 . 1 1 24 24 SER CB C 24 63.616 63.616 64.493 -0.877 25421 487 1 3 . 1 1 24 24 SER H H 24 8.057 8.057 8.685 -0.628 25421 488 1 3 . 1 1 25 25 SER N N 25 124.964 124.964 124.180 0.784 25421 489 1 3 . 1 1 25 25 SER HA H 25 3.977 3.977 4.214 -0.237 25421 490 1 3 . 1 1 25 25 SER C C 25 174.925 174.925 175.705 -0.780 25421 491 1 3 . 1 1 25 25 SER CA C 25 61.411 61.411 59.938 1.474 25421 492 1 3 . 1 1 25 25 SER CB C 25 62.650 62.650 63.443 -0.793 25421 493 1 3 . 1 1 25 25 SER H H 25 9.029 9.029 9.067 -0.038 25421 494 1 3 . 1 1 26 26 ARG N N 26 119.221 119.221 120.353 -1.132 25421 495 1 3 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.033 0.092 25421 496 1 3 . 1 1 26 26 ARG C C 26 177.031 177.031 177.037 -0.006 25421 497 1 3 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.535 -0.600 25421 498 1 3 . 1 1 26 26 ARG CB C 26 31.120 31.120 30.305 0.815 25421 499 1 3 . 1 1 26 26 ARG H H 26 7.880 7.880 8.344 -0.464 25421 500 1 3 . 1 1 27 27 ASP N N 27 115.090 115.090 114.691 0.399 25421 501 1 3 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.378 -0.105 25421 502 1 3 . 1 1 27 27 ASP CA C 27 54.557 54.557 52.987 1.570 25421 503 1 3 . 1 1 27 27 ASP CB C 27 40.955 40.955 40.947 0.008 25421 504 1 3 . 1 1 27 27 ASP H H 27 7.396 7.396 7.512 -0.116 25421 505 1 3 . 1 1 28 28 LYS N N 28 114.145 114.145 117.247 -3.102 25421 506 1 3 . 1 1 28 28 LYS HA H 28 3.842 3.842 4.006 -0.164 25421 507 1 3 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.393 0.093 25421 508 1 3 . 1 1 28 28 LYS CB C 28 28.066 28.066 30.117 -2.051 25421 509 1 3 . 1 1 28 28 LYS H H 28 8.096 8.096 7.897 0.199 25421 510 1 3 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.391 0.006 25421 511 1 3 . 1 1 29 29 TRP C C 29 177.187 177.187 174.828 2.359 25421 512 1 3 . 1 1 29 29 TRP CA C 29 55.704 55.704 53.246 2.458 25421 513 1 3 . 1 1 29 29 TRP CB C 29 31.279 31.279 30.046 1.233 25421 514 1 3 . 1 1 30 30 CYS N N 30 119.238 119.238 119.026 0.212 25421 515 1 3 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.185 -0.289 25421 516 1 3 . 1 1 30 30 CYS C C 30 174.364 174.364 174.687 -0.323 25421 517 1 3 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.203 -2.618 25421 518 1 3 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.727 10.479 25421 519 1 3 . 1 1 30 30 CYS H H 30 8.447 8.447 8.208 0.239 25421 520 1 3 . 1 1 31 31 LYS N N 31 124.793 124.793 119.860 4.933 25421 521 1 3 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.928 0.113 25421 522 1 3 . 1 1 31 31 LYS C C 31 175.662 175.662 174.813 0.849 25421 523 1 3 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.601 0.575 25421 524 1 3 . 1 1 31 31 LYS CB C 31 35.875 35.875 35.927 -0.052 25421 525 1 3 . 1 1 31 31 LYS H H 31 9.191 9.191 8.739 0.452 25421 526 1 3 . 1 1 32 32 VAL N N 32 121.483 121.483 121.623 -0.140 25421 527 1 3 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.877 -0.056 25421 528 1 3 . 1 1 32 32 VAL C C 32 175.973 175.973 174.623 1.350 25421 529 1 3 . 1 1 32 32 VAL CA C 32 64.073 64.073 59.837 4.236 25421 530 1 3 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.809 -1.442 25421 531 1 3 . 1 1 32 32 VAL H H 32 8.424 8.424 8.547 -0.123 25421 532 1 3 . 1 1 33 33 LEU N N 33 128.865 128.865 128.876 -0.011 25421 533 1 3 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.220 0.087 25421 534 1 3 . 1 1 33 33 LEU C C 33 175.217 175.217 177.146 -1.929 25421 535 1 3 . 1 1 33 33 LEU CA C 33 55.315 55.315 55.553 -0.238 25421 536 1 3 . 1 1 33 33 LEU CB C 33 42.589 42.589 42.032 0.557 25421 537 1 3 . 1 1 33 33 LEU H H 33 8.045 8.045 8.248 -0.203 25421 538 1 4 . 1 1 2 2 GLU N N 2 120.667 120.667 119.636 1.031 25421 539 1 4 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.840 -0.414 25421 540 1 4 . 1 1 2 2 GLU C C 2 175.960 175.960 174.873 1.087 25421 541 1 4 . 1 1 2 2 GLU CA C 2 56.073 56.073 56.037 0.036 25421 542 1 4 . 1 1 2 2 GLU CB C 2 30.439 30.439 30.848 -0.409 25421 543 1 4 . 1 1 2 2 GLU H H 2 8.716 8.716 8.963 -0.247 25421 544 1 4 . 1 1 3 3 CYS N N 3 119.340 119.340 118.852 0.488 25421 545 1 4 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.764 0.058 25421 546 1 4 . 1 1 3 3 CYS C C 3 173.426 173.426 174.596 -1.170 25421 547 1 4 . 1 1 3 3 CYS CA C 3 54.700 54.700 57.055 -2.355 25421 548 1 4 . 1 1 3 3 CYS CB C 3 42.616 42.616 30.212 12.404 25421 549 1 4 . 1 1 3 3 CYS H H 3 8.457 8.457 8.398 0.059 25421 550 1 4 . 1 1 4 4 LYS N N 4 121.064 121.064 123.092 -2.028 25421 551 1 4 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.293 0.033 25421 552 1 4 . 1 1 4 4 LYS C C 4 174.620 174.620 176.873 -2.253 25421 553 1 4 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.631 -1.028 25421 554 1 4 . 1 1 4 4 LYS CB C 4 34.310 34.310 33.048 1.262 25421 555 1 4 . 1 1 4 4 LYS H H 4 8.763 8.763 8.418 0.345 25421 556 1 4 . 1 1 5 5 GLY N N 5 109.502 109.502 107.479 2.023 25421 557 1 4 . 1 1 5 5 GLY C C 5 171.833 171.833 173.798 -1.965 25421 558 1 4 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.326 -2.684 25421 559 1 4 . 1 1 5 5 GLY H H 5 7.983 7.983 8.228 -0.245 25421 560 1 4 . 1 1 6 6 PHE N N 6 117.331 117.331 119.108 -1.777 25421 561 1 4 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.981 -1.355 25421 562 1 4 . 1 1 6 6 PHE C C 6 176.435 176.435 175.268 1.167 25421 563 1 4 . 1 1 6 6 PHE CA C 6 57.913 57.913 57.939 -0.026 25421 564 1 4 . 1 1 6 6 PHE CB C 6 39.083 39.083 41.092 -2.009 25421 565 1 4 . 1 1 6 6 PHE H H 6 7.581 7.581 8.283 -0.702 25421 566 1 4 . 1 1 7 7 TRP N N 7 123.869 123.869 119.750 4.119 25421 567 1 4 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.353 -0.765 25421 568 1 4 . 1 1 7 7 TRP C C 7 175.204 175.204 175.811 -0.607 25421 569 1 4 . 1 1 7 7 TRP CA C 7 58.520 58.520 57.100 1.420 25421 570 1 4 . 1 1 7 7 TRP CB C 7 28.287 28.287 30.263 -1.976 25421 571 1 4 . 1 1 7 7 TRP H H 7 8.997 8.997 7.973 1.024 25421 572 1 4 . 1 1 8 8 LYS N N 8 118.614 118.614 119.161 -0.547 25421 573 1 4 . 1 1 8 8 LYS HA H 8 4.510 4.510 4.261 0.249 25421 574 1 4 . 1 1 8 8 LYS C C 8 176.595 176.595 175.736 0.859 25421 575 1 4 . 1 1 8 8 LYS CA C 8 53.984 53.984 56.820 -2.836 25421 576 1 4 . 1 1 8 8 LYS CB C 8 32.796 32.796 32.538 0.258 25421 577 1 4 . 1 1 8 8 LYS H H 8 7.719 7.719 7.768 -0.049 25421 578 1 4 . 1 1 9 9 SER N N 9 116.747 116.747 111.982 4.765 25421 579 1 4 . 1 1 9 9 SER HA H 9 4.808 4.808 4.841 -0.033 25421 580 1 4 . 1 1 9 9 SER C C 9 172.976 172.976 174.025 -1.049 25421 581 1 4 . 1 1 9 9 SER CA C 9 59.175 59.175 57.233 1.942 25421 582 1 4 . 1 1 9 9 SER CB C 9 63.827 63.827 63.625 0.202 25421 583 1 4 . 1 1 9 9 SER H H 9 8.430 8.430 8.234 0.196 25421 584 1 4 . 1 1 10 10 CYS N N 10 118.508 118.508 120.814 -2.306 25421 585 1 4 . 1 1 10 10 CYS HA H 10 4.978 4.978 5.154 -0.176 25421 586 1 4 . 1 1 10 10 CYS C C 10 172.556 172.556 173.121 -0.565 25421 587 1 4 . 1 1 10 10 CYS CA C 10 53.278 53.278 56.951 -3.673 25421 588 1 4 . 1 1 10 10 CYS CB C 10 46.760 46.760 31.338 15.421 25421 589 1 4 . 1 1 10 10 CYS H H 10 8.142 8.142 7.774 0.368 25421 590 1 4 . 1 1 11 11 VAL N N 11 122.963 122.963 115.199 7.764 25421 591 1 4 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.543 -0.208 25421 592 1 4 . 1 1 11 11 VAL CA C 11 59.324 59.324 57.490 1.834 25421 593 1 4 . 1 1 11 11 VAL CB C 11 32.923 32.923 32.358 0.565 25421 594 1 4 . 1 1 11 11 VAL H H 11 8.835 8.835 8.018 0.817 25421 595 1 4 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.354 -0.411 25421 596 1 4 . 1 1 12 12 PRO C C 12 176.806 176.806 177.749 -0.943 25421 597 1 4 . 1 1 12 12 PRO CA C 12 64.329 64.329 63.671 0.658 25421 598 1 4 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.296 0.493 25421 599 1 4 . 1 1 13 13 GLY N N 13 111.847 111.847 114.716 -2.869 25421 600 1 4 . 1 1 13 13 GLY C C 13 174.856 174.856 175.065 -0.209 25421 601 1 4 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.112 0.184 25421 602 1 4 . 1 1 13 13 GLY H H 13 8.826 8.826 8.573 0.253 25421 603 1 4 . 1 1 14 14 LYS N N 14 117.957 117.957 120.731 -2.774 25421 604 1 4 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.224 0.259 25421 605 1 4 . 1 1 14 14 LYS C C 14 175.718 175.718 176.969 -1.251 25421 606 1 4 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.881 -1.468 25421 607 1 4 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.412 -0.559 25421 608 1 4 . 1 1 14 14 LYS H H 14 7.590 7.590 7.494 0.096 25421 609 1 4 . 1 1 15 15 ASN N N 15 118.663 118.663 115.739 2.924 25421 610 1 4 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.490 0.187 25421 611 1 4 . 1 1 15 15 ASN C C 15 175.372 175.372 175.218 0.154 25421 612 1 4 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.819 -0.197 25421 613 1 4 . 1 1 15 15 ASN CB C 15 37.371 37.371 36.967 0.404 25421 614 1 4 . 1 1 15 15 ASN H H 15 8.473 8.473 8.036 0.437 25421 615 1 4 . 1 1 16 16 GLU N N 16 115.492 115.492 114.937 0.555 25421 616 1 4 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.139 0.165 25421 617 1 4 . 1 1 16 16 GLU C C 16 178.083 178.083 177.401 0.682 25421 618 1 4 . 1 1 16 16 GLU CA C 16 57.422 57.422 58.154 -0.732 25421 619 1 4 . 1 1 16 16 GLU CB C 16 32.526 32.526 30.030 2.496 25421 620 1 4 . 1 1 16 16 GLU H H 16 8.848 8.848 8.744 0.104 25421 621 1 4 . 1 1 17 17 CYS N N 17 117.244 117.244 117.471 -0.227 25421 622 1 4 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.144 1.032 25421 623 1 4 . 1 1 17 17 CYS C C 17 175.716 175.716 175.988 -0.272 25421 624 1 4 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.440 -4.910 25421 625 1 4 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.107 12.967 25421 626 1 4 . 1 1 17 17 CYS H H 17 8.278 8.278 8.224 0.054 25421 627 1 4 . 1 1 18 18 CYS N N 18 121.456 121.456 123.009 -1.553 25421 628 1 4 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.401 0.165 25421 629 1 4 . 1 1 18 18 CYS C C 18 172.720 172.720 175.969 -3.249 25421 630 1 4 . 1 1 18 18 CYS CA C 18 54.336 54.336 59.047 -4.711 25421 631 1 4 . 1 1 18 18 CYS CB C 18 41.143 41.143 27.545 13.598 25421 632 1 4 . 1 1 18 18 CYS H H 18 9.308 9.308 8.534 0.774 25421 633 1 4 . 1 1 19 19 SER N N 19 114.196 114.196 117.321 -3.125 25421 634 1 4 . 1 1 19 19 SER HA H 19 4.273 4.273 4.278 -0.005 25421 635 1 4 . 1 1 19 19 SER C C 19 175.114 175.114 175.804 -0.690 25421 636 1 4 . 1 1 19 19 SER CA C 19 60.335 60.335 60.288 0.047 25421 637 1 4 . 1 1 19 19 SER CB C 19 63.047 63.047 63.509 -0.462 25421 638 1 4 . 1 1 19 19 SER H H 19 8.461 8.461 8.563 -0.102 25421 639 1 4 . 1 1 20 20 GLY N N 20 113.736 113.736 113.682 0.054 25421 640 1 4 . 1 1 20 20 GLY C C 20 173.468 173.468 174.112 -0.644 25421 641 1 4 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.844 -0.262 25421 642 1 4 . 1 1 20 20 GLY H H 20 8.836 8.836 8.671 0.165 25421 643 1 4 . 1 1 21 21 TYR N N 21 118.820 118.820 121.144 -2.324 25421 644 1 4 . 1 1 21 21 TYR HA H 21 5.269 5.269 4.853 0.416 25421 645 1 4 . 1 1 21 21 TYR C C 21 174.011 174.011 174.680 -0.669 25421 646 1 4 . 1 1 21 21 TYR CA C 21 56.055 56.055 57.397 -1.342 25421 647 1 4 . 1 1 21 21 TYR CB C 21 41.659 41.659 39.567 2.092 25421 648 1 4 . 1 1 21 21 TYR H H 21 8.276 8.276 7.989 0.287 25421 649 1 4 . 1 1 22 22 ALA N N 22 120.868 120.868 124.113 -3.245 25421 650 1 4 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.690 -0.037 25421 651 1 4 . 1 1 22 22 ALA C C 22 176.439 176.439 175.096 1.343 25421 652 1 4 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.333 0.638 25421 653 1 4 . 1 1 22 22 ALA CB C 22 23.106 23.106 21.629 1.477 25421 654 1 4 . 1 1 22 22 ALA H H 22 9.357 9.357 8.391 0.966 25421 655 1 4 . 1 1 23 23 CYS N N 23 122.679 122.679 118.089 4.590 25421 656 1 4 . 1 1 23 23 CYS HA H 23 4.565 4.565 4.977 -0.412 25421 657 1 4 . 1 1 23 23 CYS C C 23 174.530 174.530 174.811 -0.281 25421 658 1 4 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.264 -2.560 25421 659 1 4 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.490 12.350 25421 660 1 4 . 1 1 23 23 CYS H H 23 8.917 8.917 8.415 0.502 25421 661 1 4 . 1 1 24 24 SER N N 24 123.845 123.845 120.504 3.341 25421 662 1 4 . 1 1 24 24 SER HA H 24 4.455 4.455 4.900 -0.445 25421 663 1 4 . 1 1 24 24 SER C C 24 175.964 175.964 174.601 1.363 25421 664 1 4 . 1 1 24 24 SER CA C 24 57.449 57.449 57.056 0.393 25421 665 1 4 . 1 1 24 24 SER CB C 24 63.616 63.616 64.516 -0.900 25421 666 1 4 . 1 1 24 24 SER H H 24 8.057 8.057 8.618 -0.561 25421 667 1 4 . 1 1 25 25 SER N N 25 124.964 124.964 123.888 1.076 25421 668 1 4 . 1 1 25 25 SER HA H 25 3.977 3.977 4.200 -0.223 25421 669 1 4 . 1 1 25 25 SER C C 25 174.925 174.925 175.593 -0.668 25421 670 1 4 . 1 1 25 25 SER CA C 25 61.411 61.411 59.741 1.670 25421 671 1 4 . 1 1 25 25 SER CB C 25 62.650 62.650 63.321 -0.671 25421 672 1 4 . 1 1 25 25 SER H H 25 9.029 9.029 9.024 0.005 25421 673 1 4 . 1 1 26 26 ARG N N 26 119.221 119.221 119.996 -0.775 25421 674 1 4 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.026 0.099 25421 675 1 4 . 1 1 26 26 ARG C C 26 177.031 177.031 176.818 0.213 25421 676 1 4 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.359 -0.424 25421 677 1 4 . 1 1 26 26 ARG CB C 26 31.120 31.120 30.281 0.839 25421 678 1 4 . 1 1 26 26 ARG H H 26 7.880 7.880 8.198 -0.318 25421 679 1 4 . 1 1 27 27 ASP N N 27 115.090 115.090 115.166 -0.076 25421 680 1 4 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.301 -0.028 25421 681 1 4 . 1 1 27 27 ASP CA C 27 54.557 54.557 53.233 1.324 25421 682 1 4 . 1 1 27 27 ASP CB C 27 40.955 40.955 40.657 0.298 25421 683 1 4 . 1 1 27 27 ASP H H 27 7.396 7.396 7.473 -0.077 25421 684 1 4 . 1 1 28 28 LYS N N 28 114.145 114.145 116.391 -2.246 25421 685 1 4 . 1 1 28 28 LYS HA H 28 3.842 3.842 3.892 -0.050 25421 686 1 4 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.316 0.170 25421 687 1 4 . 1 1 28 28 LYS CB C 28 28.066 28.066 30.086 -2.020 25421 688 1 4 . 1 1 28 28 LYS H H 28 8.096 8.096 7.816 0.280 25421 689 1 4 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.316 0.081 25421 690 1 4 . 1 1 29 29 TRP C C 29 177.187 177.187 174.960 2.227 25421 691 1 4 . 1 1 29 29 TRP CA C 29 55.704 55.704 53.111 2.593 25421 692 1 4 . 1 1 29 29 TRP CB C 29 31.279 31.279 29.871 1.408 25421 693 1 4 . 1 1 30 30 CYS N N 30 119.238 119.238 119.030 0.208 25421 694 1 4 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.097 -0.201 25421 695 1 4 . 1 1 30 30 CYS C C 30 174.364 174.364 174.799 -0.435 25421 696 1 4 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.165 -2.579 25421 697 1 4 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.751 10.455 25421 698 1 4 . 1 1 30 30 CYS H H 30 8.447 8.447 8.106 0.341 25421 699 1 4 . 1 1 31 31 LYS N N 31 124.793 124.793 120.417 4.376 25421 700 1 4 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.932 0.109 25421 701 1 4 . 1 1 31 31 LYS C C 31 175.662 175.662 175.020 0.642 25421 702 1 4 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.356 0.820 25421 703 1 4 . 1 1 31 31 LYS CB C 31 35.875 35.875 35.995 -0.120 25421 704 1 4 . 1 1 31 31 LYS H H 31 9.191 9.191 8.829 0.362 25421 705 1 4 . 1 1 32 32 VAL N N 32 121.483 121.483 121.473 0.010 25421 706 1 4 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.826 -0.005 25421 707 1 4 . 1 1 32 32 VAL C C 32 175.973 175.973 174.817 1.156 25421 708 1 4 . 1 1 32 32 VAL CA C 32 64.073 64.073 60.775 3.298 25421 709 1 4 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.417 -1.049 25421 710 1 4 . 1 1 32 32 VAL H H 32 8.424 8.424 8.473 -0.049 25421 711 1 4 . 1 1 33 33 LEU N N 33 128.865 128.865 128.684 0.181 25421 712 1 4 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.379 -0.072 25421 713 1 4 . 1 1 33 33 LEU C C 33 175.217 175.217 177.280 -2.063 25421 714 1 4 . 1 1 33 33 LEU CA C 33 55.315 55.315 54.963 0.352 25421 715 1 4 . 1 1 33 33 LEU CB C 33 42.589 42.589 42.082 0.507 25421 716 1 4 . 1 1 33 33 LEU H H 33 8.045 8.045 8.297 -0.252 25421 717 1 5 . 1 1 2 2 GLU N N 2 120.667 120.667 120.170 0.497 25421 718 1 5 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.560 -0.134 25421 719 1 5 . 1 1 2 2 GLU C C 2 175.960 175.960 175.684 0.276 25421 720 1 5 . 1 1 2 2 GLU CA C 2 56.073 56.073 55.834 0.240 25421 721 1 5 . 1 1 2 2 GLU CB C 2 30.439 30.439 31.122 -0.683 25421 722 1 5 . 1 1 2 2 GLU H H 2 8.716 8.716 8.249 0.467 25421 723 1 5 . 1 1 3 3 CYS N N 3 119.340 119.340 118.691 0.649 25421 724 1 5 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.683 0.139 25421 725 1 5 . 1 1 3 3 CYS C C 3 173.426 173.426 174.578 -1.152 25421 726 1 5 . 1 1 3 3 CYS CA C 3 54.700 54.700 56.645 -1.945 25421 727 1 5 . 1 1 3 3 CYS CB C 3 42.616 42.616 29.958 12.658 25421 728 1 5 . 1 1 3 3 CYS H H 3 8.457 8.457 8.430 0.027 25421 729 1 5 . 1 1 4 4 LYS N N 4 121.064 121.064 123.028 -1.964 25421 730 1 5 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.201 0.125 25421 731 1 5 . 1 1 4 4 LYS C C 4 174.620 174.620 176.722 -2.102 25421 732 1 5 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.641 -1.038 25421 733 1 5 . 1 1 4 4 LYS CB C 4 34.310 34.310 33.007 1.303 25421 734 1 5 . 1 1 4 4 LYS H H 4 8.763 8.763 8.309 0.454 25421 735 1 5 . 1 1 5 5 GLY N N 5 109.502 109.502 107.204 2.298 25421 736 1 5 . 1 1 5 5 GLY C C 5 171.833 171.833 173.797 -1.964 25421 737 1 5 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.285 -2.643 25421 738 1 5 . 1 1 5 5 GLY H H 5 7.983 7.983 8.015 -0.032 25421 739 1 5 . 1 1 6 6 PHE N N 6 117.331 117.331 118.586 -1.255 25421 740 1 5 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.985 -1.359 25421 741 1 5 . 1 1 6 6 PHE C C 6 176.435 176.435 174.860 1.575 25421 742 1 5 . 1 1 6 6 PHE CA C 6 57.913 57.913 58.322 -0.409 25421 743 1 5 . 1 1 6 6 PHE CB C 6 39.083 39.083 41.140 -2.057 25421 744 1 5 . 1 1 6 6 PHE H H 6 7.581 7.581 8.176 -0.595 25421 745 1 5 . 1 1 7 7 TRP N N 7 123.869 123.869 116.744 7.125 25421 746 1 5 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.464 -0.876 25421 747 1 5 . 1 1 7 7 TRP C C 7 175.204 175.204 175.625 -0.421 25421 748 1 5 . 1 1 7 7 TRP CA C 7 58.520 58.520 56.176 2.344 25421 749 1 5 . 1 1 7 7 TRP CB C 7 28.287 28.287 28.870 -0.583 25421 750 1 5 . 1 1 7 7 TRP H H 7 8.997 8.997 7.705 1.292 25421 751 1 5 . 1 1 8 8 LYS N N 8 118.614 118.614 120.584 -1.970 25421 752 1 5 . 1 1 8 8 LYS HA H 8 4.510 4.510 3.705 0.805 25421 753 1 5 . 1 1 8 8 LYS C C 8 176.595 176.595 175.939 0.656 25421 754 1 5 . 1 1 8 8 LYS CA C 8 53.984 53.984 56.333 -2.349 25421 755 1 5 . 1 1 8 8 LYS CB C 8 32.796 32.796 32.418 0.378 25421 756 1 5 . 1 1 8 8 LYS H H 8 7.719 7.719 7.223 0.496 25421 757 1 5 . 1 1 9 9 SER N N 9 116.747 116.747 114.450 2.297 25421 758 1 5 . 1 1 9 9 SER HA H 9 4.808 4.808 4.869 -0.061 25421 759 1 5 . 1 1 9 9 SER C C 9 172.976 172.976 173.326 -0.350 25421 760 1 5 . 1 1 9 9 SER CA C 9 59.175 59.175 57.452 1.724 25421 761 1 5 . 1 1 9 9 SER CB C 9 63.827 63.827 63.853 -0.026 25421 762 1 5 . 1 1 9 9 SER H H 9 8.430 8.430 8.180 0.250 25421 763 1 5 . 1 1 10 10 CYS N N 10 118.508 118.508 121.577 -3.069 25421 764 1 5 . 1 1 10 10 CYS HA H 10 4.978 4.978 4.995 -0.017 25421 765 1 5 . 1 1 10 10 CYS C C 10 172.556 172.556 173.016 -0.460 25421 766 1 5 . 1 1 10 10 CYS CA C 10 53.278 53.278 56.226 -2.948 25421 767 1 5 . 1 1 10 10 CYS CB C 10 46.760 46.760 30.746 16.014 25421 768 1 5 . 1 1 10 10 CYS H H 10 8.142 8.142 7.961 0.181 25421 769 1 5 . 1 1 11 11 VAL N N 11 122.963 122.963 114.800 8.163 25421 770 1 5 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.570 -0.235 25421 771 1 5 . 1 1 11 11 VAL CA C 11 59.324 59.324 57.752 1.572 25421 772 1 5 . 1 1 11 11 VAL CB C 11 32.923 32.923 32.855 0.068 25421 773 1 5 . 1 1 11 11 VAL H H 11 8.835 8.835 8.088 0.747 25421 774 1 5 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.444 -0.501 25421 775 1 5 . 1 1 12 12 PRO C C 12 176.806 176.806 177.662 -0.856 25421 776 1 5 . 1 1 12 12 PRO CA C 12 64.329 64.329 64.123 0.206 25421 777 1 5 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.640 0.149 25421 778 1 5 . 1 1 13 13 GLY N N 13 111.847 111.847 112.256 -0.409 25421 779 1 5 . 1 1 13 13 GLY C C 13 174.856 174.856 175.027 -0.171 25421 780 1 5 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.103 0.193 25421 781 1 5 . 1 1 13 13 GLY H H 13 8.826 8.826 8.574 0.252 25421 782 1 5 . 1 1 14 14 LYS N N 14 117.957 117.957 121.347 -3.390 25421 783 1 5 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.159 0.324 25421 784 1 5 . 1 1 14 14 LYS C C 14 175.718 175.718 177.039 -1.321 25421 785 1 5 . 1 1 14 14 LYS CA C 14 55.413 55.413 57.177 -1.764 25421 786 1 5 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.232 -0.379 25421 787 1 5 . 1 1 14 14 LYS H H 14 7.590 7.590 7.526 0.064 25421 788 1 5 . 1 1 15 15 ASN N N 15 118.663 118.663 114.764 3.899 25421 789 1 5 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.488 0.189 25421 790 1 5 . 1 1 15 15 ASN C C 15 175.372 175.372 175.022 0.350 25421 791 1 5 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.734 -0.112 25421 792 1 5 . 1 1 15 15 ASN CB C 15 37.371 37.371 36.707 0.664 25421 793 1 5 . 1 1 15 15 ASN H H 15 8.473 8.473 8.043 0.430 25421 794 1 5 . 1 1 16 16 GLU N N 16 115.492 115.492 115.594 -0.102 25421 795 1 5 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.130 0.174 25421 796 1 5 . 1 1 16 16 GLU C C 16 178.083 178.083 177.445 0.638 25421 797 1 5 . 1 1 16 16 GLU CA C 16 57.422 57.422 58.005 -0.583 25421 798 1 5 . 1 1 16 16 GLU CB C 16 32.526 32.526 30.024 2.502 25421 799 1 5 . 1 1 16 16 GLU H H 16 8.848 8.848 8.687 0.161 25421 800 1 5 . 1 1 17 17 CYS N N 17 117.244 117.244 117.317 -0.073 25421 801 1 5 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.137 1.039 25421 802 1 5 . 1 1 17 17 CYS C C 17 175.716 175.716 176.001 -0.285 25421 803 1 5 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.511 -4.981 25421 804 1 5 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.358 12.716 25421 805 1 5 . 1 1 17 17 CYS H H 17 8.278 8.278 8.148 0.130 25421 806 1 5 . 1 1 18 18 CYS N N 18 121.456 121.456 121.191 0.265 25421 807 1 5 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.512 0.054 25421 808 1 5 . 1 1 18 18 CYS C C 18 172.720 172.720 175.775 -3.055 25421 809 1 5 . 1 1 18 18 CYS CA C 18 54.336 54.336 58.696 -4.360 25421 810 1 5 . 1 1 18 18 CYS CB C 18 41.143 41.143 28.199 12.944 25421 811 1 5 . 1 1 18 18 CYS H H 18 9.308 9.308 8.653 0.655 25421 812 1 5 . 1 1 19 19 SER N N 19 114.196 114.196 118.311 -4.115 25421 813 1 5 . 1 1 19 19 SER HA H 19 4.273 4.273 4.258 0.015 25421 814 1 5 . 1 1 19 19 SER C C 19 175.114 175.114 175.724 -0.610 25421 815 1 5 . 1 1 19 19 SER CA C 19 60.335 60.335 60.041 0.294 25421 816 1 5 . 1 1 19 19 SER CB C 19 63.047 63.047 63.568 -0.521 25421 817 1 5 . 1 1 19 19 SER H H 19 8.461 8.461 8.769 -0.308 25421 818 1 5 . 1 1 20 20 GLY N N 20 113.736 113.736 113.484 0.252 25421 819 1 5 . 1 1 20 20 GLY C C 20 173.468 173.468 174.139 -0.671 25421 820 1 5 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.914 -0.332 25421 821 1 5 . 1 1 20 20 GLY H H 20 8.836 8.836 8.612 0.224 25421 822 1 5 . 1 1 21 21 TYR N N 21 118.820 118.820 121.175 -2.355 25421 823 1 5 . 1 1 21 21 TYR HA H 21 5.269 5.269 4.854 0.415 25421 824 1 5 . 1 1 21 21 TYR C C 21 174.011 174.011 174.651 -0.640 25421 825 1 5 . 1 1 21 21 TYR CA C 21 56.055 56.055 57.336 -1.281 25421 826 1 5 . 1 1 21 21 TYR CB C 21 41.659 41.659 39.575 2.084 25421 827 1 5 . 1 1 21 21 TYR H H 21 8.276 8.276 7.955 0.321 25421 828 1 5 . 1 1 22 22 ALA N N 22 120.868 120.868 124.203 -3.335 25421 829 1 5 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.686 -0.033 25421 830 1 5 . 1 1 22 22 ALA C C 22 176.439 176.439 175.081 1.358 25421 831 1 5 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.337 0.634 25421 832 1 5 . 1 1 22 22 ALA CB C 22 23.106 23.106 21.614 1.492 25421 833 1 5 . 1 1 22 22 ALA H H 22 9.357 9.357 8.353 1.004 25421 834 1 5 . 1 1 23 23 CYS N N 23 122.679 122.679 118.075 4.604 25421 835 1 5 . 1 1 23 23 CYS HA H 23 4.565 4.565 5.106 -0.541 25421 836 1 5 . 1 1 23 23 CYS C C 23 174.530 174.530 174.838 -0.308 25421 837 1 5 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.233 -2.529 25421 838 1 5 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.427 12.413 25421 839 1 5 . 1 1 23 23 CYS H H 23 8.917 8.917 8.415 0.502 25421 840 1 5 . 1 1 24 24 SER N N 24 123.845 123.845 120.758 3.087 25421 841 1 5 . 1 1 24 24 SER HA H 24 4.455 4.455 4.995 -0.540 25421 842 1 5 . 1 1 24 24 SER C C 24 175.964 175.964 175.038 0.926 25421 843 1 5 . 1 1 24 24 SER CA C 24 57.449 57.449 57.018 0.431 25421 844 1 5 . 1 1 24 24 SER CB C 24 63.616 63.616 64.418 -0.802 25421 845 1 5 . 1 1 24 24 SER H H 24 8.057 8.057 8.738 -0.681 25421 846 1 5 . 1 1 25 25 SER N N 25 124.964 124.964 123.899 1.065 25421 847 1 5 . 1 1 25 25 SER HA H 25 3.977 3.977 4.233 -0.256 25421 848 1 5 . 1 1 25 25 SER C C 25 174.925 174.925 175.394 -0.469 25421 849 1 5 . 1 1 25 25 SER CA C 25 61.411 61.411 59.802 1.609 25421 850 1 5 . 1 1 25 25 SER CB C 25 62.650 62.650 63.460 -0.810 25421 851 1 5 . 1 1 25 25 SER H H 25 9.029 9.029 8.954 0.075 25421 852 1 5 . 1 1 26 26 ARG N N 26 119.221 119.221 120.491 -1.270 25421 853 1 5 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.046 0.079 25421 854 1 5 . 1 1 26 26 ARG C C 26 177.031 177.031 176.677 0.354 25421 855 1 5 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.482 -0.547 25421 856 1 5 . 1 1 26 26 ARG CB C 26 31.120 31.120 30.222 0.898 25421 857 1 5 . 1 1 26 26 ARG H H 26 7.880 7.880 8.168 -0.288 25421 858 1 5 . 1 1 27 27 ASP N N 27 115.090 115.090 114.824 0.266 25421 859 1 5 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.373 -0.100 25421 860 1 5 . 1 1 27 27 ASP CA C 27 54.557 54.557 52.956 1.601 25421 861 1 5 . 1 1 27 27 ASP CB C 27 40.955 40.955 40.867 0.088 25421 862 1 5 . 1 1 27 27 ASP H H 27 7.396 7.396 7.544 -0.148 25421 863 1 5 . 1 1 28 28 LYS N N 28 114.145 114.145 117.185 -3.040 25421 864 1 5 . 1 1 28 28 LYS HA H 28 3.842 3.842 3.975 -0.133 25421 865 1 5 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.390 0.096 25421 866 1 5 . 1 1 28 28 LYS CB C 28 28.066 28.066 30.038 -1.972 25421 867 1 5 . 1 1 28 28 LYS H H 28 8.096 8.096 7.939 0.157 25421 868 1 5 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.385 0.012 25421 869 1 5 . 1 1 29 29 TRP C C 29 177.187 177.187 175.070 2.117 25421 870 1 5 . 1 1 29 29 TRP CA C 29 55.704 55.704 53.306 2.398 25421 871 1 5 . 1 1 29 29 TRP CB C 29 31.279 31.279 30.051 1.228 25421 872 1 5 . 1 1 30 30 CYS N N 30 119.238 119.238 119.008 0.230 25421 873 1 5 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.197 -0.301 25421 874 1 5 . 1 1 30 30 CYS C C 30 174.364 174.364 174.682 -0.318 25421 875 1 5 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.181 -2.595 25421 876 1 5 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.722 10.484 25421 877 1 5 . 1 1 30 30 CYS H H 30 8.447 8.447 8.172 0.275 25421 878 1 5 . 1 1 31 31 LYS N N 31 124.793 124.793 119.828 4.965 25421 879 1 5 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.912 0.129 25421 880 1 5 . 1 1 31 31 LYS C C 31 175.662 175.662 174.678 0.984 25421 881 1 5 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.542 0.634 25421 882 1 5 . 1 1 31 31 LYS CB C 31 35.875 35.875 36.005 -0.130 25421 883 1 5 . 1 1 31 31 LYS H H 31 9.191 9.191 8.743 0.448 25421 884 1 5 . 1 1 32 32 VAL N N 32 121.483 121.483 122.120 -0.637 25421 885 1 5 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.951 -0.130 25421 886 1 5 . 1 1 32 32 VAL C C 32 175.973 175.973 174.469 1.504 25421 887 1 5 . 1 1 32 32 VAL CA C 32 64.073 64.073 59.761 4.312 25421 888 1 5 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.886 -1.518 25421 889 1 5 . 1 1 32 32 VAL H H 32 8.424 8.424 8.573 -0.149 25421 890 1 5 . 1 1 33 33 LEU N N 33 128.865 128.865 128.863 0.002 25421 891 1 5 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.323 -0.016 25421 892 1 5 . 1 1 33 33 LEU C C 33 175.217 175.217 177.344 -2.127 25421 893 1 5 . 1 1 33 33 LEU CA C 33 55.315 55.315 55.046 0.269 25421 894 1 5 . 1 1 33 33 LEU CB C 33 42.589 42.589 41.891 0.698 25421 895 1 5 . 1 1 33 33 LEU H H 33 8.045 8.045 8.310 -0.265 25421 896 1 6 . 1 1 2 2 GLU N N 2 120.667 120.667 120.684 -0.017 25421 897 1 6 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.321 0.105 25421 898 1 6 . 1 1 2 2 GLU C C 2 175.960 175.960 175.888 0.072 25421 899 1 6 . 1 1 2 2 GLU CA C 2 56.073 56.073 56.172 -0.099 25421 900 1 6 . 1 1 2 2 GLU CB C 2 30.439 30.439 30.374 0.065 25421 901 1 6 . 1 1 2 2 GLU H H 2 8.716 8.716 8.500 0.216 25421 902 1 6 . 1 1 3 3 CYS N N 3 119.340 119.340 117.633 1.707 25421 903 1 6 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.608 0.214 25421 904 1 6 . 1 1 3 3 CYS C C 3 173.426 173.426 174.638 -1.212 25421 905 1 6 . 1 1 3 3 CYS CA C 3 54.700 54.700 56.956 -2.256 25421 906 1 6 . 1 1 3 3 CYS CB C 3 42.616 42.616 29.931 12.685 25421 907 1 6 . 1 1 3 3 CYS H H 3 8.457 8.457 8.385 0.072 25421 908 1 6 . 1 1 4 4 LYS N N 4 121.064 121.064 123.136 -2.072 25421 909 1 6 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.261 0.065 25421 910 1 6 . 1 1 4 4 LYS C C 4 174.620 174.620 177.009 -2.389 25421 911 1 6 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.784 -1.181 25421 912 1 6 . 1 1 4 4 LYS CB C 4 34.310 34.310 33.022 1.288 25421 913 1 6 . 1 1 4 4 LYS H H 4 8.763 8.763 8.373 0.390 25421 914 1 6 . 1 1 5 5 GLY N N 5 109.502 109.502 107.434 2.068 25421 915 1 6 . 1 1 5 5 GLY C C 5 171.833 171.833 173.392 -1.559 25421 916 1 6 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.318 -2.676 25421 917 1 6 . 1 1 5 5 GLY H H 5 7.983 7.983 8.243 -0.260 25421 918 1 6 . 1 1 6 6 PHE N N 6 117.331 117.331 118.657 -1.326 25421 919 1 6 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.923 -1.297 25421 920 1 6 . 1 1 6 6 PHE C C 6 176.435 176.435 175.246 1.189 25421 921 1 6 . 1 1 6 6 PHE CA C 6 57.913 57.913 58.091 -0.178 25421 922 1 6 . 1 1 6 6 PHE CB C 6 39.083 39.083 41.322 -2.239 25421 923 1 6 . 1 1 6 6 PHE H H 6 7.581 7.581 8.075 -0.494 25421 924 1 6 . 1 1 7 7 TRP N N 7 123.869 123.869 121.251 2.618 25421 925 1 6 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.297 -0.709 25421 926 1 6 . 1 1 7 7 TRP C C 7 175.204 175.204 175.822 -0.618 25421 927 1 6 . 1 1 7 7 TRP CA C 7 58.520 58.520 57.012 1.508 25421 928 1 6 . 1 1 7 7 TRP CB C 7 28.287 28.287 29.858 -1.571 25421 929 1 6 . 1 1 7 7 TRP H H 7 8.997 8.997 8.160 0.837 25421 930 1 6 . 1 1 8 8 LYS N N 8 118.614 118.614 120.069 -1.455 25421 931 1 6 . 1 1 8 8 LYS HA H 8 4.510 4.510 4.282 0.229 25421 932 1 6 . 1 1 8 8 LYS C C 8 176.595 176.595 175.810 0.785 25421 933 1 6 . 1 1 8 8 LYS CA C 8 53.984 53.984 56.549 -2.565 25421 934 1 6 . 1 1 8 8 LYS CB C 8 32.796 32.796 33.059 -0.263 25421 935 1 6 . 1 1 8 8 LYS H H 8 7.719 7.719 7.734 -0.015 25421 936 1 6 . 1 1 9 9 SER N N 9 116.747 116.747 114.357 2.390 25421 937 1 6 . 1 1 9 9 SER HA H 9 4.808 4.808 4.791 0.017 25421 938 1 6 . 1 1 9 9 SER C C 9 172.976 172.976 173.437 -0.461 25421 939 1 6 . 1 1 9 9 SER CA C 9 59.175 59.175 57.551 1.624 25421 940 1 6 . 1 1 9 9 SER CB C 9 63.827 63.827 63.794 0.033 25421 941 1 6 . 1 1 9 9 SER H H 9 8.430 8.430 8.334 0.096 25421 942 1 6 . 1 1 10 10 CYS N N 10 118.508 118.508 121.200 -2.692 25421 943 1 6 . 1 1 10 10 CYS HA H 10 4.978 4.978 4.874 0.104 25421 944 1 6 . 1 1 10 10 CYS C C 10 172.556 172.556 172.886 -0.330 25421 945 1 6 . 1 1 10 10 CYS CA C 10 53.278 53.278 56.730 -3.452 25421 946 1 6 . 1 1 10 10 CYS CB C 10 46.760 46.760 30.588 16.172 25421 947 1 6 . 1 1 10 10 CYS H H 10 8.142 8.142 7.993 0.149 25421 948 1 6 . 1 1 11 11 VAL N N 11 122.963 122.963 114.799 8.164 25421 949 1 6 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.559 -0.224 25421 950 1 6 . 1 1 11 11 VAL CA C 11 59.324 59.324 57.682 1.642 25421 951 1 6 . 1 1 11 11 VAL CB C 11 32.923 32.923 32.724 0.200 25421 952 1 6 . 1 1 11 11 VAL H H 11 8.835 8.835 8.013 0.822 25421 953 1 6 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.309 -0.366 25421 954 1 6 . 1 1 12 12 PRO C C 12 176.806 176.806 177.367 -0.561 25421 955 1 6 . 1 1 12 12 PRO CA C 12 64.329 64.329 63.835 0.494 25421 956 1 6 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.268 0.521 25421 957 1 6 . 1 1 13 13 GLY N N 13 111.847 111.847 114.138 -2.291 25421 958 1 6 . 1 1 13 13 GLY C C 13 174.856 174.856 175.254 -0.398 25421 959 1 6 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.257 0.039 25421 960 1 6 . 1 1 13 13 GLY H H 13 8.826 8.826 8.566 0.260 25421 961 1 6 . 1 1 14 14 LYS N N 14 117.957 117.957 121.592 -3.635 25421 962 1 6 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.306 0.177 25421 963 1 6 . 1 1 14 14 LYS C C 14 175.718 175.718 176.954 -1.236 25421 964 1 6 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.475 -1.062 25421 965 1 6 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.184 -0.331 25421 966 1 6 . 1 1 14 14 LYS H H 14 7.590 7.590 7.666 -0.076 25421 967 1 6 . 1 1 15 15 ASN N N 15 118.663 118.663 115.401 3.262 25421 968 1 6 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.472 0.205 25421 969 1 6 . 1 1 15 15 ASN C C 15 175.372 175.372 175.203 0.169 25421 970 1 6 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.942 -0.320 25421 971 1 6 . 1 1 15 15 ASN CB C 15 37.371 37.371 36.941 0.430 25421 972 1 6 . 1 1 15 15 ASN H H 15 8.473 8.473 7.992 0.481 25421 973 1 6 . 1 1 16 16 GLU N N 16 115.492 115.492 115.395 0.097 25421 974 1 6 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.127 0.177 25421 975 1 6 . 1 1 16 16 GLU C C 16 178.083 178.083 177.414 0.669 25421 976 1 6 . 1 1 16 16 GLU CA C 16 57.422 57.422 58.133 -0.711 25421 977 1 6 . 1 1 16 16 GLU CB C 16 32.526 32.526 30.167 2.359 25421 978 1 6 . 1 1 16 16 GLU H H 16 8.848 8.848 8.661 0.187 25421 979 1 6 . 1 1 17 17 CYS N N 17 117.244 117.244 117.274 -0.030 25421 980 1 6 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.152 1.024 25421 981 1 6 . 1 1 17 17 CYS C C 17 175.716 175.716 176.001 -0.285 25421 982 1 6 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.252 -4.722 25421 983 1 6 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.148 12.926 25421 984 1 6 . 1 1 17 17 CYS H H 17 8.278 8.278 8.207 0.071 25421 985 1 6 . 1 1 18 18 CYS N N 18 121.456 121.456 123.165 -1.709 25421 986 1 6 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.405 0.161 25421 987 1 6 . 1 1 18 18 CYS C C 18 172.720 172.720 175.998 -3.278 25421 988 1 6 . 1 1 18 18 CYS CA C 18 54.336 54.336 59.041 -4.705 25421 989 1 6 . 1 1 18 18 CYS CB C 18 41.143 41.143 27.522 13.621 25421 990 1 6 . 1 1 18 18 CYS H H 18 9.308 9.308 8.531 0.777 25421 991 1 6 . 1 1 19 19 SER N N 19 114.196 114.196 117.304 -3.108 25421 992 1 6 . 1 1 19 19 SER HA H 19 4.273 4.273 4.284 -0.011 25421 993 1 6 . 1 1 19 19 SER C C 19 175.114 175.114 175.801 -0.687 25421 994 1 6 . 1 1 19 19 SER CA C 19 60.335 60.335 60.338 -0.003 25421 995 1 6 . 1 1 19 19 SER CB C 19 63.047 63.047 63.476 -0.429 25421 996 1 6 . 1 1 19 19 SER H H 19 8.461 8.461 8.584 -0.123 25421 997 1 6 . 1 1 20 20 GLY N N 20 113.736 113.736 113.624 0.112 25421 998 1 6 . 1 1 20 20 GLY C C 20 173.468 173.468 174.104 -0.636 25421 999 1 6 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.827 -0.245 25421 1000 1 6 . 1 1 20 20 GLY H H 20 8.836 8.836 8.673 0.163 25421 1001 1 6 . 1 1 21 21 TYR N N 21 118.820 118.820 121.286 -2.466 25421 1002 1 6 . 1 1 21 21 TYR HA H 21 5.269 5.269 4.862 0.407 25421 1003 1 6 . 1 1 21 21 TYR C C 21 174.011 174.011 174.670 -0.659 25421 1004 1 6 . 1 1 21 21 TYR CA C 21 56.055 56.055 57.398 -1.343 25421 1005 1 6 . 1 1 21 21 TYR CB C 21 41.659 41.659 39.520 2.139 25421 1006 1 6 . 1 1 21 21 TYR H H 21 8.276 8.276 7.976 0.300 25421 1007 1 6 . 1 1 22 22 ALA N N 22 120.868 120.868 124.309 -3.441 25421 1008 1 6 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.695 -0.042 25421 1009 1 6 . 1 1 22 22 ALA C C 22 176.439 176.439 175.078 1.361 25421 1010 1 6 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.347 0.624 25421 1011 1 6 . 1 1 22 22 ALA CB C 22 23.106 23.106 21.651 1.456 25421 1012 1 6 . 1 1 22 22 ALA H H 22 9.357 9.357 8.353 1.004 25421 1013 1 6 . 1 1 23 23 CYS N N 23 122.679 122.679 118.041 4.638 25421 1014 1 6 . 1 1 23 23 CYS HA H 23 4.565 4.565 5.099 -0.534 25421 1015 1 6 . 1 1 23 23 CYS C C 23 174.530 174.530 174.829 -0.299 25421 1016 1 6 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.237 -2.533 25421 1017 1 6 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.428 12.412 25421 1018 1 6 . 1 1 23 23 CYS H H 23 8.917 8.917 8.419 0.498 25421 1019 1 6 . 1 1 24 24 SER N N 24 123.845 123.845 120.645 3.200 25421 1020 1 6 . 1 1 24 24 SER HA H 24 4.455 4.455 4.977 -0.522 25421 1021 1 6 . 1 1 24 24 SER C C 24 175.964 175.964 174.986 0.978 25421 1022 1 6 . 1 1 24 24 SER CA C 24 57.449 57.449 57.011 0.438 25421 1023 1 6 . 1 1 24 24 SER CB C 24 63.616 63.616 64.463 -0.847 25421 1024 1 6 . 1 1 24 24 SER H H 24 8.057 8.057 8.700 -0.643 25421 1025 1 6 . 1 1 25 25 SER N N 25 124.964 124.964 123.773 1.191 25421 1026 1 6 . 1 1 25 25 SER HA H 25 3.977 3.977 4.214 -0.237 25421 1027 1 6 . 1 1 25 25 SER C C 25 174.925 174.925 175.469 -0.544 25421 1028 1 6 . 1 1 25 25 SER CA C 25 61.411 61.411 59.817 1.594 25421 1029 1 6 . 1 1 25 25 SER CB C 25 62.650 62.650 63.479 -0.829 25421 1030 1 6 . 1 1 25 25 SER H H 25 9.029 9.029 8.991 0.038 25421 1031 1 6 . 1 1 26 26 ARG N N 26 119.221 119.221 120.516 -1.295 25421 1032 1 6 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.034 0.091 25421 1033 1 6 . 1 1 26 26 ARG C C 26 177.031 177.031 176.574 0.457 25421 1034 1 6 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.389 -0.454 25421 1035 1 6 . 1 1 26 26 ARG CB C 26 31.120 31.120 30.250 0.871 25421 1036 1 6 . 1 1 26 26 ARG H H 26 7.880 7.880 8.274 -0.394 25421 1037 1 6 . 1 1 27 27 ASP N N 27 115.090 115.090 114.218 0.872 25421 1038 1 6 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.283 -0.010 25421 1039 1 6 . 1 1 27 27 ASP CA C 27 54.557 54.557 53.403 1.154 25421 1040 1 6 . 1 1 27 27 ASP CB C 27 40.955 40.955 40.852 0.103 25421 1041 1 6 . 1 1 27 27 ASP H H 27 7.396 7.396 7.469 -0.073 25421 1042 1 6 . 1 1 28 28 LYS N N 28 114.145 114.145 118.029 -3.884 25421 1043 1 6 . 1 1 28 28 LYS HA H 28 3.842 3.842 3.961 -0.119 25421 1044 1 6 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.328 0.158 25421 1045 1 6 . 1 1 28 28 LYS CB C 28 28.066 28.066 29.919 -1.853 25421 1046 1 6 . 1 1 28 28 LYS H H 28 8.096 8.096 7.972 0.124 25421 1047 1 6 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.234 0.163 25421 1048 1 6 . 1 1 29 29 TRP C C 29 177.187 177.187 174.807 2.380 25421 1049 1 6 . 1 1 29 29 TRP CA C 29 55.704 55.704 53.163 2.541 25421 1050 1 6 . 1 1 29 29 TRP CB C 29 31.279 31.279 29.836 1.443 25421 1051 1 6 . 1 1 30 30 CYS N N 30 119.238 119.238 118.966 0.272 25421 1052 1 6 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.198 -0.302 25421 1053 1 6 . 1 1 30 30 CYS C C 30 174.364 174.364 174.697 -0.333 25421 1054 1 6 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.201 -2.615 25421 1055 1 6 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.772 10.434 25421 1056 1 6 . 1 1 30 30 CYS H H 30 8.447 8.447 8.085 0.362 25421 1057 1 6 . 1 1 31 31 LYS N N 31 124.793 124.793 120.036 4.757 25421 1058 1 6 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.978 0.063 25421 1059 1 6 . 1 1 31 31 LYS C C 31 175.662 175.662 174.808 0.854 25421 1060 1 6 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.654 0.521 25421 1061 1 6 . 1 1 31 31 LYS CB C 31 35.875 35.875 36.003 -0.128 25421 1062 1 6 . 1 1 31 31 LYS H H 31 9.191 9.191 8.777 0.414 25421 1063 1 6 . 1 1 32 32 VAL N N 32 121.483 121.483 121.943 -0.460 25421 1064 1 6 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.927 -0.106 25421 1065 1 6 . 1 1 32 32 VAL C C 32 175.973 175.973 174.243 1.730 25421 1066 1 6 . 1 1 32 32 VAL CA C 32 64.073 64.073 59.945 4.128 25421 1067 1 6 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.388 -1.020 25421 1068 1 6 . 1 1 32 32 VAL H H 32 8.424 8.424 8.500 -0.076 25421 1069 1 6 . 1 1 33 33 LEU N N 33 128.865 128.865 129.005 -0.140 25421 1070 1 6 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.254 0.053 25421 1071 1 6 . 1 1 33 33 LEU C C 33 175.217 175.217 177.046 -1.829 25421 1072 1 6 . 1 1 33 33 LEU CA C 33 55.315 55.315 55.605 -0.290 25421 1073 1 6 . 1 1 33 33 LEU CB C 33 42.589 42.589 42.066 0.523 25421 1074 1 6 . 1 1 33 33 LEU H H 33 8.045 8.045 8.273 -0.228 25421 1075 1 7 . 1 1 2 2 GLU N N 2 120.667 120.667 122.077 -1.410 25421 1076 1 7 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.725 -0.299 25421 1077 1 7 . 1 1 2 2 GLU C C 2 175.960 175.960 175.773 0.187 25421 1078 1 7 . 1 1 2 2 GLU CA C 2 56.073 56.073 56.128 -0.055 25421 1079 1 7 . 1 1 2 2 GLU CB C 2 30.439 30.439 30.706 -0.268 25421 1080 1 7 . 1 1 2 2 GLU H H 2 8.716 8.716 8.674 0.042 25421 1081 1 7 . 1 1 3 3 CYS N N 3 119.340 119.340 117.847 1.493 25421 1082 1 7 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.739 0.083 25421 1083 1 7 . 1 1 3 3 CYS C C 3 173.426 173.426 174.720 -1.294 25421 1084 1 7 . 1 1 3 3 CYS CA C 3 54.700 54.700 57.012 -2.312 25421 1085 1 7 . 1 1 3 3 CYS CB C 3 42.616 42.616 29.927 12.688 25421 1086 1 7 . 1 1 3 3 CYS H H 3 8.457 8.457 8.346 0.111 25421 1087 1 7 . 1 1 4 4 LYS N N 4 121.064 121.064 122.971 -1.907 25421 1088 1 7 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.282 0.044 25421 1089 1 7 . 1 1 4 4 LYS C C 4 174.620 174.620 177.024 -2.404 25421 1090 1 7 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.753 -1.150 25421 1091 1 7 . 1 1 4 4 LYS CB C 4 34.310 34.310 33.041 1.269 25421 1092 1 7 . 1 1 4 4 LYS H H 4 8.763 8.763 8.422 0.341 25421 1093 1 7 . 1 1 5 5 GLY N N 5 109.502 109.502 107.476 2.026 25421 1094 1 7 . 1 1 5 5 GLY C C 5 171.833 171.833 173.869 -2.036 25421 1095 1 7 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.381 -2.739 25421 1096 1 7 . 1 1 5 5 GLY H H 5 7.983 7.983 8.245 -0.262 25421 1097 1 7 . 1 1 6 6 PHE N N 6 117.331 117.331 118.528 -1.197 25421 1098 1 7 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.964 -1.338 25421 1099 1 7 . 1 1 6 6 PHE C C 6 176.435 176.435 175.066 1.369 25421 1100 1 7 . 1 1 6 6 PHE CA C 6 57.913 57.913 57.950 -0.038 25421 1101 1 7 . 1 1 6 6 PHE CB C 6 39.083 39.083 41.352 -2.269 25421 1102 1 7 . 1 1 6 6 PHE H H 6 7.581 7.581 8.162 -0.581 25421 1103 1 7 . 1 1 7 7 TRP N N 7 123.869 123.869 121.252 2.617 25421 1104 1 7 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.366 -0.778 25421 1105 1 7 . 1 1 7 7 TRP C C 7 175.204 175.204 175.891 -0.687 25421 1106 1 7 . 1 1 7 7 TRP CA C 7 58.520 58.520 57.224 1.296 25421 1107 1 7 . 1 1 7 7 TRP CB C 7 28.287 28.287 29.735 -1.448 25421 1108 1 7 . 1 1 7 7 TRP H H 7 8.997 8.997 8.162 0.835 25421 1109 1 7 . 1 1 8 8 LYS N N 8 118.614 118.614 120.265 -1.651 25421 1110 1 7 . 1 1 8 8 LYS HA H 8 4.510 4.510 4.375 0.135 25421 1111 1 7 . 1 1 8 8 LYS C C 8 176.595 176.595 176.004 0.591 25421 1112 1 7 . 1 1 8 8 LYS CA C 8 53.984 53.984 56.675 -2.691 25421 1113 1 7 . 1 1 8 8 LYS CB C 8 32.796 32.796 33.063 -0.267 25421 1114 1 7 . 1 1 8 8 LYS H H 8 7.719 7.719 7.754 -0.035 25421 1115 1 7 . 1 1 9 9 SER N N 9 116.747 116.747 114.796 1.951 25421 1116 1 7 . 1 1 9 9 SER HA H 9 4.808 4.808 4.836 -0.028 25421 1117 1 7 . 1 1 9 9 SER C C 9 172.976 172.976 173.271 -0.295 25421 1118 1 7 . 1 1 9 9 SER CA C 9 59.175 59.175 57.578 1.597 25421 1119 1 7 . 1 1 9 9 SER CB C 9 63.827 63.827 63.763 0.064 25421 1120 1 7 . 1 1 9 9 SER H H 9 8.430 8.430 8.351 0.079 25421 1121 1 7 . 1 1 10 10 CYS N N 10 118.508 118.508 121.771 -3.263 25421 1122 1 7 . 1 1 10 10 CYS HA H 10 4.978 4.978 5.079 -0.101 25421 1123 1 7 . 1 1 10 10 CYS C C 10 172.556 172.556 173.173 -0.617 25421 1124 1 7 . 1 1 10 10 CYS CA C 10 53.278 53.278 56.401 -3.123 25421 1125 1 7 . 1 1 10 10 CYS CB C 10 46.760 46.760 30.454 16.306 25421 1126 1 7 . 1 1 10 10 CYS H H 10 8.142 8.142 7.960 0.182 25421 1127 1 7 . 1 1 11 11 VAL N N 11 122.963 122.963 114.915 8.048 25421 1128 1 7 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.546 -0.211 25421 1129 1 7 . 1 1 11 11 VAL CA C 11 59.324 59.324 58.109 1.215 25421 1130 1 7 . 1 1 11 11 VAL CB C 11 32.923 32.923 32.710 0.213 25421 1131 1 7 . 1 1 11 11 VAL H H 11 8.835 8.835 8.116 0.719 25421 1132 1 7 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.450 -0.507 25421 1133 1 7 . 1 1 12 12 PRO C C 12 176.806 176.806 177.666 -0.860 25421 1134 1 7 . 1 1 12 12 PRO CA C 12 64.329 64.329 63.997 0.332 25421 1135 1 7 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.623 0.166 25421 1136 1 7 . 1 1 13 13 GLY N N 13 111.847 111.847 112.523 -0.676 25421 1137 1 7 . 1 1 13 13 GLY C C 13 174.856 174.856 175.215 -0.359 25421 1138 1 7 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.208 0.088 25421 1139 1 7 . 1 1 13 13 GLY H H 13 8.826 8.826 8.627 0.199 25421 1140 1 7 . 1 1 14 14 LYS N N 14 117.957 117.957 121.414 -3.457 25421 1141 1 7 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.223 0.260 25421 1142 1 7 . 1 1 14 14 LYS C C 14 175.718 175.718 177.101 -1.383 25421 1143 1 7 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.464 -1.051 25421 1144 1 7 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.158 -0.305 25421 1145 1 7 . 1 1 14 14 LYS H H 14 7.590 7.590 7.657 -0.067 25421 1146 1 7 . 1 1 15 15 ASN N N 15 118.663 118.663 116.468 2.195 25421 1147 1 7 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.464 0.213 25421 1148 1 7 . 1 1 15 15 ASN C C 15 175.372 175.372 174.888 0.484 25421 1149 1 7 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.821 -0.198 25421 1150 1 7 . 1 1 15 15 ASN CB C 15 37.371 37.371 37.674 -0.303 25421 1151 1 7 . 1 1 15 15 ASN H H 15 8.473 8.473 7.991 0.482 25421 1152 1 7 . 1 1 16 16 GLU N N 16 115.492 115.492 116.125 -0.633 25421 1153 1 7 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.226 0.078 25421 1154 1 7 . 1 1 16 16 GLU C C 16 178.083 178.083 177.478 0.605 25421 1155 1 7 . 1 1 16 16 GLU CA C 16 57.422 57.422 57.702 -0.280 25421 1156 1 7 . 1 1 16 16 GLU CB C 16 32.526 32.526 29.879 2.647 25421 1157 1 7 . 1 1 16 16 GLU H H 16 8.848 8.848 8.686 0.162 25421 1158 1 7 . 1 1 17 17 CYS N N 17 117.244 117.244 117.593 -0.349 25421 1159 1 7 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.157 1.019 25421 1160 1 7 . 1 1 17 17 CYS C C 17 175.716 175.716 175.957 -0.241 25421 1161 1 7 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.570 -5.040 25421 1162 1 7 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.268 12.806 25421 1163 1 7 . 1 1 17 17 CYS H H 17 8.278 8.278 8.243 0.035 25421 1164 1 7 . 1 1 18 18 CYS N N 18 121.456 121.456 122.642 -1.186 25421 1165 1 7 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.449 0.117 25421 1166 1 7 . 1 1 18 18 CYS C C 18 172.720 172.720 175.897 -3.177 25421 1167 1 7 . 1 1 18 18 CYS CA C 18 54.336 54.336 58.926 -4.590 25421 1168 1 7 . 1 1 18 18 CYS CB C 18 41.143 41.143 27.684 13.459 25421 1169 1 7 . 1 1 18 18 CYS H H 18 9.308 9.308 8.582 0.726 25421 1170 1 7 . 1 1 19 19 SER N N 19 114.196 114.196 117.407 -3.211 25421 1171 1 7 . 1 1 19 19 SER HA H 19 4.273 4.273 4.272 0.001 25421 1172 1 7 . 1 1 19 19 SER C C 19 175.114 175.114 175.742 -0.628 25421 1173 1 7 . 1 1 19 19 SER CA C 19 60.335 60.335 60.338 -0.003 25421 1174 1 7 . 1 1 19 19 SER CB C 19 63.047 63.047 63.501 -0.454 25421 1175 1 7 . 1 1 19 19 SER H H 19 8.461 8.461 8.538 -0.077 25421 1176 1 7 . 1 1 20 20 GLY N N 20 113.736 113.736 113.895 -0.159 25421 1177 1 7 . 1 1 20 20 GLY C C 20 173.468 173.468 174.100 -0.632 25421 1178 1 7 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.924 -0.342 25421 1179 1 7 . 1 1 20 20 GLY H H 20 8.836 8.836 8.835 0.001 25421 1180 1 7 . 1 1 21 21 TYR N N 21 118.820 118.820 121.259 -2.439 25421 1181 1 7 . 1 1 21 21 TYR HA H 21 5.269 5.269 4.867 0.402 25421 1182 1 7 . 1 1 21 21 TYR C C 21 174.011 174.011 174.622 -0.611 25421 1183 1 7 . 1 1 21 21 TYR CA C 21 56.055 56.055 57.322 -1.267 25421 1184 1 7 . 1 1 21 21 TYR CB C 21 41.659 41.659 39.563 2.096 25421 1185 1 7 . 1 1 21 21 TYR H H 21 8.276 8.276 7.957 0.319 25421 1186 1 7 . 1 1 22 22 ALA N N 22 120.868 120.868 124.280 -3.412 25421 1187 1 7 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.684 -0.031 25421 1188 1 7 . 1 1 22 22 ALA C C 22 176.439 176.439 175.078 1.361 25421 1189 1 7 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.308 0.663 25421 1190 1 7 . 1 1 22 22 ALA CB C 22 23.106 23.106 21.640 1.466 25421 1191 1 7 . 1 1 22 22 ALA H H 22 9.357 9.357 8.331 1.026 25421 1192 1 7 . 1 1 23 23 CYS N N 23 122.679 122.679 118.137 4.542 25421 1193 1 7 . 1 1 23 23 CYS HA H 23 4.565 4.565 5.109 -0.544 25421 1194 1 7 . 1 1 23 23 CYS C C 23 174.530 174.530 174.825 -0.295 25421 1195 1 7 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.218 -2.514 25421 1196 1 7 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.433 12.407 25421 1197 1 7 . 1 1 23 23 CYS H H 23 8.917 8.917 8.417 0.500 25421 1198 1 7 . 1 1 24 24 SER N N 24 123.845 123.845 120.612 3.233 25421 1199 1 7 . 1 1 24 24 SER HA H 24 4.455 4.455 4.877 -0.422 25421 1200 1 7 . 1 1 24 24 SER C C 24 175.964 175.964 174.541 1.423 25421 1201 1 7 . 1 1 24 24 SER CA C 24 57.449 57.449 57.154 0.295 25421 1202 1 7 . 1 1 24 24 SER CB C 24 63.616 63.616 64.530 -0.914 25421 1203 1 7 . 1 1 24 24 SER H H 24 8.057 8.057 8.621 -0.564 25421 1204 1 7 . 1 1 25 25 SER N N 25 124.964 124.964 123.262 1.702 25421 1205 1 7 . 1 1 25 25 SER HA H 25 3.977 3.977 4.194 -0.217 25421 1206 1 7 . 1 1 25 25 SER C C 25 174.925 174.925 175.544 -0.619 25421 1207 1 7 . 1 1 25 25 SER CA C 25 61.411 61.411 59.650 1.762 25421 1208 1 7 . 1 1 25 25 SER CB C 25 62.650 62.650 63.205 -0.555 25421 1209 1 7 . 1 1 25 25 SER H H 25 9.029 9.029 8.994 0.035 25421 1210 1 7 . 1 1 26 26 ARG N N 26 119.221 119.221 119.857 -0.636 25421 1211 1 7 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.039 0.086 25421 1212 1 7 . 1 1 26 26 ARG C C 26 177.031 177.031 176.445 0.586 25421 1213 1 7 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.249 -0.314 25421 1214 1 7 . 1 1 26 26 ARG CB C 26 31.120 31.120 29.948 1.172 25421 1215 1 7 . 1 1 26 26 ARG H H 26 7.880 7.880 8.148 -0.268 25421 1216 1 7 . 1 1 27 27 ASP N N 27 115.090 115.090 114.849 0.241 25421 1217 1 7 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.310 -0.037 25421 1218 1 7 . 1 1 27 27 ASP CA C 27 54.557 54.557 53.140 1.417 25421 1219 1 7 . 1 1 27 27 ASP CB C 27 40.955 40.955 41.044 -0.089 25421 1220 1 7 . 1 1 27 27 ASP H H 27 7.396 7.396 7.461 -0.065 25421 1221 1 7 . 1 1 28 28 LYS N N 28 114.145 114.145 117.495 -3.350 25421 1222 1 7 . 1 1 28 28 LYS HA H 28 3.842 3.842 3.954 -0.112 25421 1223 1 7 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.324 0.162 25421 1224 1 7 . 1 1 28 28 LYS CB C 28 28.066 28.066 30.241 -2.175 25421 1225 1 7 . 1 1 28 28 LYS H H 28 8.096 8.096 7.865 0.231 25421 1226 1 7 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.297 0.100 25421 1227 1 7 . 1 1 29 29 TRP C C 29 177.187 177.187 174.815 2.372 25421 1228 1 7 . 1 1 29 29 TRP CA C 29 55.704 55.704 53.121 2.583 25421 1229 1 7 . 1 1 29 29 TRP CB C 29 31.279 31.279 29.851 1.428 25421 1230 1 7 . 1 1 30 30 CYS N N 30 119.238 119.238 119.039 0.199 25421 1231 1 7 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.169 -0.273 25421 1232 1 7 . 1 1 30 30 CYS C C 30 174.364 174.364 174.770 -0.406 25421 1233 1 7 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.205 -2.619 25421 1234 1 7 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.666 10.540 25421 1235 1 7 . 1 1 30 30 CYS H H 30 8.447 8.447 8.161 0.286 25421 1236 1 7 . 1 1 31 31 LYS N N 31 124.793 124.793 120.583 4.210 25421 1237 1 7 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.900 0.141 25421 1238 1 7 . 1 1 31 31 LYS C C 31 175.662 175.662 174.833 0.829 25421 1239 1 7 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.139 1.037 25421 1240 1 7 . 1 1 31 31 LYS CB C 31 35.875 35.875 36.048 -0.173 25421 1241 1 7 . 1 1 31 31 LYS H H 31 9.191 9.191 8.806 0.385 25421 1242 1 7 . 1 1 32 32 VAL N N 32 121.483 121.483 121.956 -0.473 25421 1243 1 7 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.872 -0.051 25421 1244 1 7 . 1 1 32 32 VAL C C 32 175.973 175.973 174.638 1.335 25421 1245 1 7 . 1 1 32 32 VAL CA C 32 64.073 64.073 59.906 4.167 25421 1246 1 7 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.162 -0.794 25421 1247 1 7 . 1 1 32 32 VAL H H 32 8.424 8.424 8.489 -0.065 25421 1248 1 7 . 1 1 33 33 LEU N N 33 128.865 128.865 129.036 -0.171 25421 1249 1 7 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.319 -0.012 25421 1250 1 7 . 1 1 33 33 LEU C C 33 175.217 175.217 177.009 -1.792 25421 1251 1 7 . 1 1 33 33 LEU CA C 33 55.315 55.315 55.278 0.037 25421 1252 1 7 . 1 1 33 33 LEU CB C 33 42.589 42.589 41.776 0.812 25421 1253 1 7 . 1 1 33 33 LEU H H 33 8.045 8.045 8.192 -0.147 25421 1254 1 8 . 1 1 2 2 GLU N N 2 120.667 120.667 119.714 0.953 25421 1255 1 8 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.595 -0.169 25421 1256 1 8 . 1 1 2 2 GLU C C 2 175.960 175.960 176.545 -0.585 25421 1257 1 8 . 1 1 2 2 GLU CA C 2 56.073 56.073 56.093 -0.020 25421 1258 1 8 . 1 1 2 2 GLU CB C 2 30.439 30.439 30.969 -0.530 25421 1259 1 8 . 1 1 2 2 GLU H H 2 8.716 8.716 8.587 0.129 25421 1260 1 8 . 1 1 3 3 CYS N N 3 119.340 119.340 117.435 1.905 25421 1261 1 8 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.615 0.207 25421 1262 1 8 . 1 1 3 3 CYS C C 3 173.426 173.426 175.474 -2.048 25421 1263 1 8 . 1 1 3 3 CYS CA C 3 54.700 54.700 56.445 -1.745 25421 1264 1 8 . 1 1 3 3 CYS CB C 3 42.616 42.616 29.216 13.400 25421 1265 1 8 . 1 1 3 3 CYS H H 3 8.457 8.457 8.457 -0.000 25421 1266 1 8 . 1 1 4 4 LYS N N 4 121.064 121.064 122.188 -1.124 25421 1267 1 8 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.137 0.189 25421 1268 1 8 . 1 1 4 4 LYS C C 4 174.620 174.620 177.020 -2.400 25421 1269 1 8 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.771 -1.168 25421 1270 1 8 . 1 1 4 4 LYS CB C 4 34.310 34.310 32.994 1.316 25421 1271 1 8 . 1 1 4 4 LYS H H 4 8.763 8.763 8.070 0.693 25421 1272 1 8 . 1 1 5 5 GLY N N 5 109.502 109.502 107.231 2.271 25421 1273 1 8 . 1 1 5 5 GLY C C 5 171.833 171.833 173.705 -1.872 25421 1274 1 8 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.209 -2.567 25421 1275 1 8 . 1 1 5 5 GLY H H 5 7.983 7.983 7.975 0.008 25421 1276 1 8 . 1 1 6 6 PHE N N 6 117.331 117.331 119.111 -1.780 25421 1277 1 8 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.916 -1.290 25421 1278 1 8 . 1 1 6 6 PHE C C 6 176.435 176.435 175.055 1.380 25421 1279 1 8 . 1 1 6 6 PHE CA C 6 57.913 57.913 58.282 -0.369 25421 1280 1 8 . 1 1 6 6 PHE CB C 6 39.083 39.083 41.062 -1.979 25421 1281 1 8 . 1 1 6 6 PHE H H 6 7.581 7.581 8.029 -0.448 25421 1282 1 8 . 1 1 7 7 TRP N N 7 123.869 123.869 117.089 6.780 25421 1283 1 8 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.502 -0.914 25421 1284 1 8 . 1 1 7 7 TRP C C 7 175.204 175.204 175.587 -0.383 25421 1285 1 8 . 1 1 7 7 TRP CA C 7 58.520 58.520 56.039 2.481 25421 1286 1 8 . 1 1 7 7 TRP CB C 7 28.287 28.287 28.671 -0.384 25421 1287 1 8 . 1 1 7 7 TRP H H 7 8.997 8.997 7.661 1.336 25421 1288 1 8 . 1 1 8 8 LYS N N 8 118.614 118.614 121.220 -2.606 25421 1289 1 8 . 1 1 8 8 LYS HA H 8 4.510 4.510 3.998 0.512 25421 1290 1 8 . 1 1 8 8 LYS C C 8 176.595 176.595 175.970 0.625 25421 1291 1 8 . 1 1 8 8 LYS CA C 8 53.984 53.984 56.009 -2.025 25421 1292 1 8 . 1 1 8 8 LYS CB C 8 32.796 32.796 32.839 -0.043 25421 1293 1 8 . 1 1 8 8 LYS H H 8 7.719 7.719 7.280 0.439 25421 1294 1 8 . 1 1 9 9 SER N N 9 116.747 116.747 114.562 2.185 25421 1295 1 8 . 1 1 9 9 SER HA H 9 4.808 4.808 4.833 -0.025 25421 1296 1 8 . 1 1 9 9 SER C C 9 172.976 172.976 173.087 -0.111 25421 1297 1 8 . 1 1 9 9 SER CA C 9 59.175 59.175 57.616 1.559 25421 1298 1 8 . 1 1 9 9 SER CB C 9 63.827 63.827 63.723 0.104 25421 1299 1 8 . 1 1 9 9 SER H H 9 8.430 8.430 8.252 0.178 25421 1300 1 8 . 1 1 10 10 CYS N N 10 118.508 118.508 121.986 -3.478 25421 1301 1 8 . 1 1 10 10 CYS HA H 10 4.978 4.978 5.002 -0.024 25421 1302 1 8 . 1 1 10 10 CYS C C 10 172.556 172.556 173.010 -0.454 25421 1303 1 8 . 1 1 10 10 CYS CA C 10 53.278 53.278 56.092 -2.814 25421 1304 1 8 . 1 1 10 10 CYS CB C 10 46.760 46.760 30.821 15.939 25421 1305 1 8 . 1 1 10 10 CYS H H 10 8.142 8.142 7.951 0.191 25421 1306 1 8 . 1 1 11 11 VAL N N 11 122.963 122.963 115.031 7.932 25421 1307 1 8 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.565 -0.230 25421 1308 1 8 . 1 1 11 11 VAL CA C 11 59.324 59.324 58.055 1.269 25421 1309 1 8 . 1 1 11 11 VAL CB C 11 32.923 32.923 32.941 -0.017 25421 1310 1 8 . 1 1 11 11 VAL H H 11 8.835 8.835 8.083 0.752 25421 1311 1 8 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.426 -0.483 25421 1312 1 8 . 1 1 12 12 PRO C C 12 176.806 176.806 177.685 -0.879 25421 1313 1 8 . 1 1 12 12 PRO CA C 12 64.329 64.329 63.438 0.891 25421 1314 1 8 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.528 0.261 25421 1315 1 8 . 1 1 13 13 GLY N N 13 111.847 111.847 112.868 -1.021 25421 1316 1 8 . 1 1 13 13 GLY C C 13 174.856 174.856 175.390 -0.534 25421 1317 1 8 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.828 -0.532 25421 1318 1 8 . 1 1 13 13 GLY H H 13 8.826 8.826 8.417 0.409 25421 1319 1 8 . 1 1 14 14 LYS N N 14 117.957 117.957 121.698 -3.741 25421 1320 1 8 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.335 0.148 25421 1321 1 8 . 1 1 14 14 LYS C C 14 175.718 175.718 176.901 -1.183 25421 1322 1 8 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.506 -1.093 25421 1323 1 8 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.214 -0.361 25421 1324 1 8 . 1 1 14 14 LYS H H 14 7.590 7.590 7.681 -0.091 25421 1325 1 8 . 1 1 15 15 ASN N N 15 118.663 118.663 114.833 3.830 25421 1326 1 8 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.447 0.230 25421 1327 1 8 . 1 1 15 15 ASN C C 15 175.372 175.372 174.927 0.445 25421 1328 1 8 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.865 -0.243 25421 1329 1 8 . 1 1 15 15 ASN CB C 15 37.371 37.371 36.407 0.964 25421 1330 1 8 . 1 1 15 15 ASN H H 15 8.473 8.473 8.035 0.438 25421 1331 1 8 . 1 1 16 16 GLU N N 16 115.492 115.492 115.682 -0.190 25421 1332 1 8 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.122 0.182 25421 1333 1 8 . 1 1 16 16 GLU C C 16 178.083 178.083 177.562 0.521 25421 1334 1 8 . 1 1 16 16 GLU CA C 16 57.422 57.422 57.719 -0.297 25421 1335 1 8 . 1 1 16 16 GLU CB C 16 32.526 32.526 29.773 2.753 25421 1336 1 8 . 1 1 16 16 GLU H H 16 8.848 8.848 8.718 0.130 25421 1337 1 8 . 1 1 17 17 CYS N N 17 117.244 117.244 117.389 -0.145 25421 1338 1 8 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.106 1.070 25421 1339 1 8 . 1 1 17 17 CYS C C 17 175.716 175.716 175.986 -0.270 25421 1340 1 8 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.594 -5.064 25421 1341 1 8 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.213 12.861 25421 1342 1 8 . 1 1 17 17 CYS H H 17 8.278 8.278 8.202 0.076 25421 1343 1 8 . 1 1 18 18 CYS N N 18 121.456 121.456 121.148 0.308 25421 1344 1 8 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.465 0.101 25421 1345 1 8 . 1 1 18 18 CYS C C 18 172.720 172.720 175.351 -2.631 25421 1346 1 8 . 1 1 18 18 CYS CA C 18 54.336 54.336 58.724 -4.388 25421 1347 1 8 . 1 1 18 18 CYS CB C 18 41.143 41.143 28.373 12.770 25421 1348 1 8 . 1 1 18 18 CYS H H 18 9.308 9.308 8.443 0.865 25421 1349 1 8 . 1 1 19 19 SER N N 19 114.196 114.196 117.892 -3.696 25421 1350 1 8 . 1 1 19 19 SER HA H 19 4.273 4.273 4.288 -0.015 25421 1351 1 8 . 1 1 19 19 SER C C 19 175.114 175.114 175.590 -0.476 25421 1352 1 8 . 1 1 19 19 SER CA C 19 60.335 60.335 59.949 0.386 25421 1353 1 8 . 1 1 19 19 SER CB C 19 63.047 63.047 63.415 -0.368 25421 1354 1 8 . 1 1 19 19 SER H H 19 8.461 8.461 8.746 -0.285 25421 1355 1 8 . 1 1 20 20 GLY N N 20 113.736 113.736 113.281 0.455 25421 1356 1 8 . 1 1 20 20 GLY C C 20 173.468 173.468 173.283 0.185 25421 1357 1 8 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.867 -0.285 25421 1358 1 8 . 1 1 20 20 GLY H H 20 8.836 8.836 8.709 0.127 25421 1359 1 8 . 1 1 21 21 TYR N N 21 118.820 118.820 119.013 -0.193 25421 1360 1 8 . 1 1 21 21 TYR HA H 21 5.269 5.269 5.085 0.184 25421 1361 1 8 . 1 1 21 21 TYR C C 21 174.011 174.011 174.228 -0.217 25421 1362 1 8 . 1 1 21 21 TYR CA C 21 56.055 56.055 56.169 -0.114 25421 1363 1 8 . 1 1 21 21 TYR CB C 21 41.659 41.659 41.326 0.333 25421 1364 1 8 . 1 1 21 21 TYR H H 21 8.276 8.276 7.545 0.731 25421 1365 1 8 . 1 1 22 22 ALA N N 22 120.868 120.868 124.255 -3.387 25421 1366 1 8 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.765 -0.112 25421 1367 1 8 . 1 1 22 22 ALA C C 22 176.439 176.439 175.209 1.230 25421 1368 1 8 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.003 0.968 25421 1369 1 8 . 1 1 22 22 ALA CB C 22 23.106 23.106 22.240 0.866 25421 1370 1 8 . 1 1 22 22 ALA H H 22 9.357 9.357 8.366 0.991 25421 1371 1 8 . 1 1 23 23 CYS N N 23 122.679 122.679 118.224 4.455 25421 1372 1 8 . 1 1 23 23 CYS HA H 23 4.565 4.565 5.173 -0.608 25421 1373 1 8 . 1 1 23 23 CYS C C 23 174.530 174.530 174.838 -0.308 25421 1374 1 8 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.249 -2.545 25421 1375 1 8 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.412 12.428 25421 1376 1 8 . 1 1 23 23 CYS H H 23 8.917 8.917 8.706 0.211 25421 1377 1 8 . 1 1 24 24 SER N N 24 123.845 123.845 120.468 3.377 25421 1378 1 8 . 1 1 24 24 SER HA H 24 4.455 4.455 4.907 -0.452 25421 1379 1 8 . 1 1 24 24 SER C C 24 175.964 175.964 174.614 1.350 25421 1380 1 8 . 1 1 24 24 SER CA C 24 57.449 57.449 57.089 0.360 25421 1381 1 8 . 1 1 24 24 SER CB C 24 63.616 63.616 64.543 -0.927 25421 1382 1 8 . 1 1 24 24 SER H H 24 8.057 8.057 8.710 -0.653 25421 1383 1 8 . 1 1 25 25 SER N N 25 124.964 124.964 123.779 1.185 25421 1384 1 8 . 1 1 25 25 SER HA H 25 3.977 3.977 4.228 -0.251 25421 1385 1 8 . 1 1 25 25 SER C C 25 174.925 174.925 175.632 -0.707 25421 1386 1 8 . 1 1 25 25 SER CA C 25 61.411 61.411 59.721 1.690 25421 1387 1 8 . 1 1 25 25 SER CB C 25 62.650 62.650 63.285 -0.635 25421 1388 1 8 . 1 1 25 25 SER H H 25 9.029 9.029 9.058 -0.029 25421 1389 1 8 . 1 1 26 26 ARG N N 26 119.221 119.221 119.746 -0.525 25421 1390 1 8 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.053 0.072 25421 1391 1 8 . 1 1 26 26 ARG C C 26 177.031 177.031 176.847 0.184 25421 1392 1 8 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.384 -0.449 25421 1393 1 8 . 1 1 26 26 ARG CB C 26 31.120 31.120 30.288 0.832 25421 1394 1 8 . 1 1 26 26 ARG H H 26 7.880 7.880 8.159 -0.279 25421 1395 1 8 . 1 1 27 27 ASP N N 27 115.090 115.090 114.680 0.410 25421 1396 1 8 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.378 -0.105 25421 1397 1 8 . 1 1 27 27 ASP CA C 27 54.557 54.557 52.900 1.657 25421 1398 1 8 . 1 1 27 27 ASP CB C 27 40.955 40.955 41.093 -0.138 25421 1399 1 8 . 1 1 27 27 ASP H H 27 7.396 7.396 7.523 -0.127 25421 1400 1 8 . 1 1 28 28 LYS N N 28 114.145 114.145 117.464 -3.319 25421 1401 1 8 . 1 1 28 28 LYS HA H 28 3.842 3.842 3.969 -0.127 25421 1402 1 8 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.350 0.136 25421 1403 1 8 . 1 1 28 28 LYS CB C 28 28.066 28.066 30.184 -2.118 25421 1404 1 8 . 1 1 28 28 LYS H H 28 8.096 8.096 7.938 0.158 25421 1405 1 8 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.430 -0.033 25421 1406 1 8 . 1 1 29 29 TRP C C 29 177.187 177.187 175.066 2.121 25421 1407 1 8 . 1 1 29 29 TRP CA C 29 55.704 55.704 53.257 2.447 25421 1408 1 8 . 1 1 29 29 TRP CB C 29 31.279 31.279 30.055 1.224 25421 1409 1 8 . 1 1 30 30 CYS N N 30 119.238 119.238 119.018 0.220 25421 1410 1 8 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.194 -0.298 25421 1411 1 8 . 1 1 30 30 CYS C C 30 174.364 174.364 174.699 -0.335 25421 1412 1 8 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.194 -2.608 25421 1413 1 8 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.726 10.480 25421 1414 1 8 . 1 1 30 30 CYS H H 30 8.447 8.447 8.160 0.287 25421 1415 1 8 . 1 1 31 31 LYS N N 31 124.793 124.793 119.799 4.994 25421 1416 1 8 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.933 0.108 25421 1417 1 8 . 1 1 31 31 LYS C C 31 175.662 175.662 174.759 0.903 25421 1418 1 8 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.641 0.535 25421 1419 1 8 . 1 1 31 31 LYS CB C 31 35.875 35.875 35.957 -0.082 25421 1420 1 8 . 1 1 31 31 LYS H H 31 9.191 9.191 8.735 0.456 25421 1421 1 8 . 1 1 32 32 VAL N N 32 121.483 121.483 122.088 -0.605 25421 1422 1 8 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.952 -0.131 25421 1423 1 8 . 1 1 32 32 VAL C C 32 175.973 175.973 174.505 1.468 25421 1424 1 8 . 1 1 32 32 VAL CA C 32 64.073 64.073 60.422 3.651 25421 1425 1 8 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.758 -1.390 25421 1426 1 8 . 1 1 32 32 VAL H H 32 8.424 8.424 8.493 -0.069 25421 1427 1 8 . 1 1 33 33 LEU N N 33 128.865 128.865 128.231 0.634 25421 1428 1 8 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.510 -0.203 25421 1429 1 8 . 1 1 33 33 LEU C C 33 175.217 175.217 177.024 -1.807 25421 1430 1 8 . 1 1 33 33 LEU CA C 33 55.315 55.315 53.926 1.389 25421 1431 1 8 . 1 1 33 33 LEU CB C 33 42.589 42.589 42.362 0.227 25421 1432 1 8 . 1 1 33 33 LEU H H 33 8.045 8.045 7.791 0.254 25421 1433 1 9 . 1 1 2 2 GLU N N 2 120.667 120.667 119.758 0.909 25421 1434 1 9 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.563 -0.137 25421 1435 1 9 . 1 1 2 2 GLU C C 2 175.960 175.960 176.124 -0.164 25421 1436 1 9 . 1 1 2 2 GLU CA C 2 56.073 56.073 55.846 0.227 25421 1437 1 9 . 1 1 2 2 GLU CB C 2 30.439 30.439 31.501 -1.062 25421 1438 1 9 . 1 1 2 2 GLU H H 2 8.716 8.716 8.254 0.462 25421 1439 1 9 . 1 1 3 3 CYS N N 3 119.340 119.340 119.010 0.330 25421 1440 1 9 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.467 0.355 25421 1441 1 9 . 1 1 3 3 CYS C C 3 173.426 173.426 175.677 -2.251 25421 1442 1 9 . 1 1 3 3 CYS CA C 3 54.700 54.700 57.511 -2.811 25421 1443 1 9 . 1 1 3 3 CYS CB C 3 42.616 42.616 27.927 14.689 25421 1444 1 9 . 1 1 3 3 CYS H H 3 8.457 8.457 8.467 -0.010 25421 1445 1 9 . 1 1 4 4 LYS N N 4 121.064 121.064 123.868 -2.804 25421 1446 1 9 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.201 0.125 25421 1447 1 9 . 1 1 4 4 LYS C C 4 174.620 174.620 177.457 -2.837 25421 1448 1 9 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.879 -1.276 25421 1449 1 9 . 1 1 4 4 LYS CB C 4 34.310 34.310 33.009 1.301 25421 1450 1 9 . 1 1 4 4 LYS H H 4 8.763 8.763 8.218 0.545 25421 1451 1 9 . 1 1 5 5 GLY N N 5 109.502 109.502 107.370 2.132 25421 1452 1 9 . 1 1 5 5 GLY C C 5 171.833 171.833 173.846 -2.013 25421 1453 1 9 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.443 -2.801 25421 1454 1 9 . 1 1 5 5 GLY H H 5 7.983 7.983 8.231 -0.248 25421 1455 1 9 . 1 1 6 6 PHE N N 6 117.331 117.331 118.938 -1.607 25421 1456 1 9 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.861 -1.235 25421 1457 1 9 . 1 1 6 6 PHE C C 6 176.435 176.435 174.709 1.726 25421 1458 1 9 . 1 1 6 6 PHE CA C 6 57.913 57.913 57.929 -0.016 25421 1459 1 9 . 1 1 6 6 PHE CB C 6 39.083 39.083 40.909 -1.826 25421 1460 1 9 . 1 1 6 6 PHE H H 6 7.581 7.581 8.316 -0.735 25421 1461 1 9 . 1 1 7 7 TRP N N 7 123.869 123.869 119.882 3.987 25421 1462 1 9 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.416 -0.828 25421 1463 1 9 . 1 1 7 7 TRP C C 7 175.204 175.204 176.218 -1.014 25421 1464 1 9 . 1 1 7 7 TRP CA C 7 58.520 58.520 56.858 1.662 25421 1465 1 9 . 1 1 7 7 TRP CB C 7 28.287 28.287 29.957 -1.670 25421 1466 1 9 . 1 1 7 7 TRP H H 7 8.997 8.997 7.986 1.011 25421 1467 1 9 . 1 1 8 8 LYS N N 8 118.614 118.614 120.367 -1.753 25421 1468 1 9 . 1 1 8 8 LYS HA H 8 4.510 4.510 4.430 0.080 25421 1469 1 9 . 1 1 8 8 LYS C C 8 176.595 176.595 176.324 0.271 25421 1470 1 9 . 1 1 8 8 LYS CA C 8 53.984 53.984 56.765 -2.781 25421 1471 1 9 . 1 1 8 8 LYS CB C 8 32.796 32.796 32.946 -0.150 25421 1472 1 9 . 1 1 8 8 LYS H H 8 7.719 7.719 7.691 0.028 25421 1473 1 9 . 1 1 9 9 SER N N 9 116.747 116.747 115.148 1.599 25421 1474 1 9 . 1 1 9 9 SER HA H 9 4.808 4.808 4.941 -0.133 25421 1475 1 9 . 1 1 9 9 SER C C 9 172.976 172.976 173.324 -0.348 25421 1476 1 9 . 1 1 9 9 SER CA C 9 59.175 59.175 57.594 1.581 25421 1477 1 9 . 1 1 9 9 SER CB C 9 63.827 63.827 63.729 0.098 25421 1478 1 9 . 1 1 9 9 SER H H 9 8.430 8.430 8.403 0.027 25421 1479 1 9 . 1 1 10 10 CYS N N 10 118.508 118.508 121.978 -3.470 25421 1480 1 9 . 1 1 10 10 CYS HA H 10 4.978 4.978 5.057 -0.079 25421 1481 1 9 . 1 1 10 10 CYS C C 10 172.556 172.556 172.810 -0.254 25421 1482 1 9 . 1 1 10 10 CYS CA C 10 53.278 53.278 56.498 -3.220 25421 1483 1 9 . 1 1 10 10 CYS CB C 10 46.760 46.760 30.637 16.123 25421 1484 1 9 . 1 1 10 10 CYS H H 10 8.142 8.142 8.108 0.034 25421 1485 1 9 . 1 1 11 11 VAL N N 11 122.963 122.963 114.927 8.036 25421 1486 1 9 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.575 -0.240 25421 1487 1 9 . 1 1 11 11 VAL CA C 11 59.324 59.324 57.559 1.765 25421 1488 1 9 . 1 1 11 11 VAL CB C 11 32.923 32.923 32.849 0.074 25421 1489 1 9 . 1 1 11 11 VAL H H 11 8.835 8.835 7.999 0.836 25421 1490 1 9 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.316 -0.373 25421 1491 1 9 . 1 1 12 12 PRO C C 12 176.806 176.806 177.428 -0.622 25421 1492 1 9 . 1 1 12 12 PRO CA C 12 64.329 64.329 63.806 0.523 25421 1493 1 9 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.495 0.293 25421 1494 1 9 . 1 1 13 13 GLY N N 13 111.847 111.847 113.734 -1.887 25421 1495 1 9 . 1 1 13 13 GLY C C 13 174.856 174.856 175.241 -0.385 25421 1496 1 9 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.303 -0.007 25421 1497 1 9 . 1 1 13 13 GLY H H 13 8.826 8.826 8.604 0.222 25421 1498 1 9 . 1 1 14 14 LYS N N 14 117.957 117.957 121.289 -3.332 25421 1499 1 9 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.335 0.148 25421 1500 1 9 . 1 1 14 14 LYS C C 14 175.718 175.718 176.748 -1.030 25421 1501 1 9 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.360 -0.947 25421 1502 1 9 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.254 -0.401 25421 1503 1 9 . 1 1 14 14 LYS H H 14 7.590 7.590 7.620 -0.030 25421 1504 1 9 . 1 1 15 15 ASN N N 15 118.663 118.663 115.002 3.661 25421 1505 1 9 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.473 0.204 25421 1506 1 9 . 1 1 15 15 ASN C C 15 175.372 175.372 175.039 0.333 25421 1507 1 9 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.960 -0.338 25421 1508 1 9 . 1 1 15 15 ASN CB C 15 37.371 37.371 36.902 0.469 25421 1509 1 9 . 1 1 15 15 ASN H H 15 8.473 8.473 8.002 0.471 25421 1510 1 9 . 1 1 16 16 GLU N N 16 115.492 115.492 115.325 0.167 25421 1511 1 9 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.190 0.114 25421 1512 1 9 . 1 1 16 16 GLU C C 16 178.083 178.083 177.528 0.555 25421 1513 1 9 . 1 1 16 16 GLU CA C 16 57.422 57.422 57.582 -0.160 25421 1514 1 9 . 1 1 16 16 GLU CB C 16 32.526 32.526 29.968 2.558 25421 1515 1 9 . 1 1 16 16 GLU H H 16 8.848 8.848 8.723 0.125 25421 1516 1 9 . 1 1 17 17 CYS N N 17 117.244 117.244 117.774 -0.530 25421 1517 1 9 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.170 1.006 25421 1518 1 9 . 1 1 17 17 CYS C C 17 175.716 175.716 175.974 -0.258 25421 1519 1 9 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.536 -5.006 25421 1520 1 9 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.301 12.773 25421 1521 1 9 . 1 1 17 17 CYS H H 17 8.278 8.278 8.212 0.066 25421 1522 1 9 . 1 1 18 18 CYS N N 18 121.456 121.456 121.052 0.404 25421 1523 1 9 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.488 0.078 25421 1524 1 9 . 1 1 18 18 CYS C C 18 172.720 172.720 175.731 -3.011 25421 1525 1 9 . 1 1 18 18 CYS CA C 18 54.336 54.336 58.761 -4.425 25421 1526 1 9 . 1 1 18 18 CYS CB C 18 41.143 41.143 28.139 13.004 25421 1527 1 9 . 1 1 18 18 CYS H H 18 9.308 9.308 8.565 0.743 25421 1528 1 9 . 1 1 19 19 SER N N 19 114.196 114.196 118.453 -4.257 25421 1529 1 9 . 1 1 19 19 SER HA H 19 4.273 4.273 4.257 0.016 25421 1530 1 9 . 1 1 19 19 SER C C 19 175.114 175.114 175.684 -0.570 25421 1531 1 9 . 1 1 19 19 SER CA C 19 60.335 60.335 59.989 0.346 25421 1532 1 9 . 1 1 19 19 SER CB C 19 63.047 63.047 63.503 -0.456 25421 1533 1 9 . 1 1 19 19 SER H H 19 8.461 8.461 8.765 -0.304 25421 1534 1 9 . 1 1 20 20 GLY N N 20 113.736 113.736 113.738 -0.002 25421 1535 1 9 . 1 1 20 20 GLY C C 20 173.468 173.468 174.071 -0.603 25421 1536 1 9 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.828 -0.246 25421 1537 1 9 . 1 1 20 20 GLY H H 20 8.836 8.836 8.628 0.208 25421 1538 1 9 . 1 1 21 21 TYR N N 21 118.820 118.820 121.236 -2.416 25421 1539 1 9 . 1 1 21 21 TYR HA H 21 5.269 5.269 4.854 0.415 25421 1540 1 9 . 1 1 21 21 TYR C C 21 174.011 174.011 174.634 -0.623 25421 1541 1 9 . 1 1 21 21 TYR CA C 21 56.055 56.055 57.283 -1.228 25421 1542 1 9 . 1 1 21 21 TYR CB C 21 41.659 41.659 39.533 2.126 25421 1543 1 9 . 1 1 21 21 TYR H H 21 8.276 8.276 7.981 0.295 25421 1544 1 9 . 1 1 22 22 ALA N N 22 120.868 120.868 124.296 -3.428 25421 1545 1 9 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.679 -0.026 25421 1546 1 9 . 1 1 22 22 ALA C C 22 176.439 176.439 175.075 1.364 25421 1547 1 9 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.332 0.639 25421 1548 1 9 . 1 1 22 22 ALA CB C 22 23.106 23.106 21.605 1.501 25421 1549 1 9 . 1 1 22 22 ALA H H 22 9.357 9.357 8.301 1.056 25421 1550 1 9 . 1 1 23 23 CYS N N 23 122.679 122.679 118.065 4.614 25421 1551 1 9 . 1 1 23 23 CYS HA H 23 4.565 4.565 5.115 -0.550 25421 1552 1 9 . 1 1 23 23 CYS C C 23 174.530 174.530 174.882 -0.352 25421 1553 1 9 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.186 -2.482 25421 1554 1 9 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.449 12.391 25421 1555 1 9 . 1 1 23 23 CYS H H 23 8.917 8.917 8.408 0.509 25421 1556 1 9 . 1 1 24 24 SER N N 24 123.845 123.845 120.882 2.963 25421 1557 1 9 . 1 1 24 24 SER HA H 24 4.455 4.455 4.833 -0.378 25421 1558 1 9 . 1 1 24 24 SER C C 24 175.964 175.964 174.517 1.447 25421 1559 1 9 . 1 1 24 24 SER CA C 24 57.449 57.449 57.307 0.142 25421 1560 1 9 . 1 1 24 24 SER CB C 24 63.616 63.616 64.416 -0.800 25421 1561 1 9 . 1 1 24 24 SER H H 24 8.057 8.057 8.635 -0.578 25421 1562 1 9 . 1 1 25 25 SER N N 25 124.964 124.964 123.648 1.316 25421 1563 1 9 . 1 1 25 25 SER HA H 25 3.977 3.977 4.272 -0.295 25421 1564 1 9 . 1 1 25 25 SER C C 25 174.925 174.925 175.703 -0.778 25421 1565 1 9 . 1 1 25 25 SER CA C 25 61.411 61.411 59.905 1.506 25421 1566 1 9 . 1 1 25 25 SER CB C 25 62.650 62.650 62.984 -0.334 25421 1567 1 9 . 1 1 25 25 SER H H 25 9.029 9.029 8.951 0.078 25421 1568 1 9 . 1 1 26 26 ARG N N 26 119.221 119.221 120.454 -1.233 25421 1569 1 9 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.112 0.013 25421 1570 1 9 . 1 1 26 26 ARG C C 26 177.031 177.031 176.812 0.219 25421 1571 1 9 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.477 -0.541 25421 1572 1 9 . 1 1 26 26 ARG CB C 26 31.120 31.120 30.479 0.641 25421 1573 1 9 . 1 1 26 26 ARG H H 26 7.880 7.880 7.925 -0.045 25421 1574 1 9 . 1 1 27 27 ASP N N 27 115.090 115.090 115.829 -0.739 25421 1575 1 9 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.407 -0.134 25421 1576 1 9 . 1 1 27 27 ASP CA C 27 54.557 54.557 53.315 1.242 25421 1577 1 9 . 1 1 27 27 ASP CB C 27 40.955 40.955 40.674 0.281 25421 1578 1 9 . 1 1 27 27 ASP H H 27 7.396 7.396 7.444 -0.048 25421 1579 1 9 . 1 1 28 28 LYS N N 28 114.145 114.145 116.975 -2.830 25421 1580 1 9 . 1 1 28 28 LYS HA H 28 3.842 3.842 4.025 -0.183 25421 1581 1 9 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.447 0.039 25421 1582 1 9 . 1 1 28 28 LYS CB C 28 28.066 28.066 29.776 -1.710 25421 1583 1 9 . 1 1 28 28 LYS H H 28 8.096 8.096 7.913 0.183 25421 1584 1 9 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.453 -0.056 25421 1585 1 9 . 1 1 29 29 TRP C C 29 177.187 177.187 174.961 2.226 25421 1586 1 9 . 1 1 29 29 TRP CA C 29 55.704 55.704 53.042 2.662 25421 1587 1 9 . 1 1 29 29 TRP CB C 29 31.279 31.279 29.816 1.463 25421 1588 1 9 . 1 1 30 30 CYS N N 30 119.238 119.238 119.114 0.124 25421 1589 1 9 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.132 -0.236 25421 1590 1 9 . 1 1 30 30 CYS C C 30 174.364 174.364 174.538 -0.174 25421 1591 1 9 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.224 -2.639 25421 1592 1 9 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.555 10.651 25421 1593 1 9 . 1 1 30 30 CYS H H 30 8.447 8.447 8.194 0.253 25421 1594 1 9 . 1 1 31 31 LYS N N 31 124.793 124.793 120.317 4.476 25421 1595 1 9 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.758 0.283 25421 1596 1 9 . 1 1 31 31 LYS C C 31 175.662 175.662 174.775 0.887 25421 1597 1 9 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.439 0.737 25421 1598 1 9 . 1 1 31 31 LYS CB C 31 35.875 35.875 35.952 -0.077 25421 1599 1 9 . 1 1 31 31 LYS H H 31 9.191 9.191 8.722 0.469 25421 1600 1 9 . 1 1 32 32 VAL N N 32 121.483 121.483 121.683 -0.200 25421 1601 1 9 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.927 -0.106 25421 1602 1 9 . 1 1 32 32 VAL C C 32 175.973 175.973 174.265 1.708 25421 1603 1 9 . 1 1 32 32 VAL CA C 32 64.073 64.073 60.025 4.048 25421 1604 1 9 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.364 -0.996 25421 1605 1 9 . 1 1 32 32 VAL H H 32 8.424 8.424 8.467 -0.043 25421 1606 1 9 . 1 1 33 33 LEU N N 33 128.865 128.865 128.788 0.077 25421 1607 1 9 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.297 0.010 25421 1608 1 9 . 1 1 33 33 LEU C C 33 175.217 175.217 177.410 -2.193 25421 1609 1 9 . 1 1 33 33 LEU CA C 33 55.315 55.315 55.140 0.175 25421 1610 1 9 . 1 1 33 33 LEU CB C 33 42.589 42.589 41.988 0.601 25421 1611 1 9 . 1 1 33 33 LEU H H 33 8.045 8.045 8.265 -0.220 25421 1612 1 10 . 1 1 2 2 GLU N N 2 120.667 120.667 120.993 -0.326 25421 1613 1 10 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.578 -0.152 25421 1614 1 10 . 1 1 2 2 GLU C C 2 175.960 175.960 176.495 -0.535 25421 1615 1 10 . 1 1 2 2 GLU CA C 2 56.073 56.073 55.989 0.084 25421 1616 1 10 . 1 1 2 2 GLU CB C 2 30.439 30.439 30.579 -0.140 25421 1617 1 10 . 1 1 2 2 GLU H H 2 8.716 8.716 8.418 0.298 25421 1618 1 10 . 1 1 3 3 CYS N N 3 119.340 119.340 118.283 1.057 25421 1619 1 10 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.620 0.202 25421 1620 1 10 . 1 1 3 3 CYS C C 3 173.426 173.426 175.407 -1.981 25421 1621 1 10 . 1 1 3 3 CYS CA C 3 54.700 54.700 56.834 -2.134 25421 1622 1 10 . 1 1 3 3 CYS CB C 3 42.616 42.616 29.134 13.482 25421 1623 1 10 . 1 1 3 3 CYS H H 3 8.457 8.457 8.482 -0.025 25421 1624 1 10 . 1 1 4 4 LYS N N 4 121.064 121.064 122.353 -1.289 25421 1625 1 10 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.259 0.067 25421 1626 1 10 . 1 1 4 4 LYS C C 4 174.620 174.620 177.054 -2.434 25421 1627 1 10 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.913 -1.310 25421 1628 1 10 . 1 1 4 4 LYS CB C 4 34.310 34.310 33.068 1.242 25421 1629 1 10 . 1 1 4 4 LYS H H 4 8.763 8.763 8.098 0.665 25421 1630 1 10 . 1 1 5 5 GLY N N 5 109.502 109.502 107.363 2.139 25421 1631 1 10 . 1 1 5 5 GLY C C 5 171.833 171.833 173.913 -2.080 25421 1632 1 10 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.430 -2.788 25421 1633 1 10 . 1 1 5 5 GLY H H 5 7.983 7.983 8.221 -0.238 25421 1634 1 10 . 1 1 6 6 PHE N N 6 117.331 117.331 118.543 -1.212 25421 1635 1 10 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.952 -1.326 25421 1636 1 10 . 1 1 6 6 PHE C C 6 176.435 176.435 175.057 1.378 25421 1637 1 10 . 1 1 6 6 PHE CA C 6 57.913 57.913 57.901 0.012 25421 1638 1 10 . 1 1 6 6 PHE CB C 6 39.083 39.083 41.326 -2.243 25421 1639 1 10 . 1 1 6 6 PHE H H 6 7.581 7.581 8.239 -0.658 25421 1640 1 10 . 1 1 7 7 TRP N N 7 123.869 123.869 120.938 2.931 25421 1641 1 10 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.364 -0.776 25421 1642 1 10 . 1 1 7 7 TRP C C 7 175.204 175.204 175.844 -0.640 25421 1643 1 10 . 1 1 7 7 TRP CA C 7 58.520 58.520 56.767 1.753 25421 1644 1 10 . 1 1 7 7 TRP CB C 7 28.287 28.287 30.026 -1.739 25421 1645 1 10 . 1 1 7 7 TRP H H 7 8.997 8.997 8.087 0.910 25421 1646 1 10 . 1 1 8 8 LYS N N 8 118.614 118.614 120.316 -1.702 25421 1647 1 10 . 1 1 8 8 LYS HA H 8 4.510 4.510 4.253 0.257 25421 1648 1 10 . 1 1 8 8 LYS C C 8 176.595 176.595 175.802 0.793 25421 1649 1 10 . 1 1 8 8 LYS CA C 8 53.984 53.984 56.650 -2.666 25421 1650 1 10 . 1 1 8 8 LYS CB C 8 32.796 32.796 33.006 -0.210 25421 1651 1 10 . 1 1 8 8 LYS H H 8 7.719 7.719 7.752 -0.033 25421 1652 1 10 . 1 1 9 9 SER N N 9 116.747 116.747 114.849 1.898 25421 1653 1 10 . 1 1 9 9 SER HA H 9 4.808 4.808 4.793 0.015 25421 1654 1 10 . 1 1 9 9 SER C C 9 172.976 172.976 173.281 -0.305 25421 1655 1 10 . 1 1 9 9 SER CA C 9 59.175 59.175 57.346 1.829 25421 1656 1 10 . 1 1 9 9 SER CB C 9 63.827 63.827 63.847 -0.020 25421 1657 1 10 . 1 1 9 9 SER H H 9 8.430 8.430 8.266 0.164 25421 1658 1 10 . 1 1 10 10 CYS N N 10 118.508 118.508 121.070 -2.562 25421 1659 1 10 . 1 1 10 10 CYS HA H 10 4.978 4.978 4.903 0.075 25421 1660 1 10 . 1 1 10 10 CYS C C 10 172.556 172.556 173.090 -0.534 25421 1661 1 10 . 1 1 10 10 CYS CA C 10 53.278 53.278 56.255 -2.977 25421 1662 1 10 . 1 1 10 10 CYS CB C 10 46.760 46.760 31.080 15.680 25421 1663 1 10 . 1 1 10 10 CYS H H 10 8.142 8.142 8.103 0.039 25421 1664 1 10 . 1 1 11 11 VAL N N 11 122.963 122.963 114.949 8.014 25421 1665 1 10 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.605 -0.270 25421 1666 1 10 . 1 1 11 11 VAL CA C 11 59.324 59.324 58.308 1.016 25421 1667 1 10 . 1 1 11 11 VAL CB C 11 32.923 32.923 32.842 0.081 25421 1668 1 10 . 1 1 11 11 VAL H H 11 8.835 8.835 8.348 0.487 25421 1669 1 10 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.393 -0.450 25421 1670 1 10 . 1 1 12 12 PRO C C 12 176.806 176.806 177.502 -0.696 25421 1671 1 10 . 1 1 12 12 PRO CA C 12 64.329 64.329 63.517 0.812 25421 1672 1 10 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.654 0.135 25421 1673 1 10 . 1 1 13 13 GLY N N 13 111.847 111.847 112.650 -0.803 25421 1674 1 10 . 1 1 13 13 GLY C C 13 174.856 174.856 175.522 -0.666 25421 1675 1 10 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.709 -0.413 25421 1676 1 10 . 1 1 13 13 GLY H H 13 8.826 8.826 8.529 0.297 25421 1677 1 10 . 1 1 14 14 LYS N N 14 117.957 117.957 121.672 -3.715 25421 1678 1 10 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.333 0.150 25421 1679 1 10 . 1 1 14 14 LYS C C 14 175.718 175.718 176.898 -1.180 25421 1680 1 10 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.514 -1.101 25421 1681 1 10 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.208 -0.355 25421 1682 1 10 . 1 1 14 14 LYS H H 14 7.590 7.590 7.696 -0.106 25421 1683 1 10 . 1 1 15 15 ASN N N 15 118.663 118.663 115.125 3.538 25421 1684 1 10 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.451 0.226 25421 1685 1 10 . 1 1 15 15 ASN C C 15 175.372 175.372 175.040 0.332 25421 1686 1 10 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.980 -0.358 25421 1687 1 10 . 1 1 15 15 ASN CB C 15 37.371 37.371 36.213 1.158 25421 1688 1 10 . 1 1 15 15 ASN H H 15 8.473 8.473 8.049 0.424 25421 1689 1 10 . 1 1 16 16 GLU N N 16 115.492 115.492 115.675 -0.183 25421 1690 1 10 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.126 0.178 25421 1691 1 10 . 1 1 16 16 GLU C C 16 178.083 178.083 177.484 0.599 25421 1692 1 10 . 1 1 16 16 GLU CA C 16 57.422 57.422 58.097 -0.675 25421 1693 1 10 . 1 1 16 16 GLU CB C 16 32.526 32.526 30.018 2.508 25421 1694 1 10 . 1 1 16 16 GLU H H 16 8.848 8.848 8.667 0.181 25421 1695 1 10 . 1 1 17 17 CYS N N 17 117.244 117.244 117.077 0.167 25421 1696 1 10 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.178 0.998 25421 1697 1 10 . 1 1 17 17 CYS C C 17 175.716 175.716 176.121 -0.405 25421 1698 1 10 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.365 -4.835 25421 1699 1 10 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.280 12.794 25421 1700 1 10 . 1 1 17 17 CYS H H 17 8.278 8.278 8.066 0.212 25421 1701 1 10 . 1 1 18 18 CYS N N 18 121.456 121.456 121.185 0.271 25421 1702 1 10 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.509 0.057 25421 1703 1 10 . 1 1 18 18 CYS C C 18 172.720 172.720 175.763 -3.043 25421 1704 1 10 . 1 1 18 18 CYS CA C 18 54.336 54.336 58.839 -4.503 25421 1705 1 10 . 1 1 18 18 CYS CB C 18 41.143 41.143 28.271 12.872 25421 1706 1 10 . 1 1 18 18 CYS H H 18 9.308 9.308 8.691 0.617 25421 1707 1 10 . 1 1 19 19 SER N N 19 114.196 114.196 118.031 -3.835 25421 1708 1 10 . 1 1 19 19 SER HA H 19 4.273 4.273 4.289 -0.016 25421 1709 1 10 . 1 1 19 19 SER C C 19 175.114 175.114 175.726 -0.612 25421 1710 1 10 . 1 1 19 19 SER CA C 19 60.335 60.335 60.027 0.308 25421 1711 1 10 . 1 1 19 19 SER CB C 19 63.047 63.047 63.554 -0.507 25421 1712 1 10 . 1 1 19 19 SER H H 19 8.461 8.461 8.782 -0.321 25421 1713 1 10 . 1 1 20 20 GLY N N 20 113.736 113.736 113.563 0.173 25421 1714 1 10 . 1 1 20 20 GLY C C 20 173.468 173.468 174.144 -0.676 25421 1715 1 10 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.920 -0.338 25421 1716 1 10 . 1 1 20 20 GLY H H 20 8.836 8.836 8.637 0.199 25421 1717 1 10 . 1 1 21 21 TYR N N 21 118.820 118.820 121.171 -2.351 25421 1718 1 10 . 1 1 21 21 TYR HA H 21 5.269 5.269 4.858 0.411 25421 1719 1 10 . 1 1 21 21 TYR C C 21 174.011 174.011 174.654 -0.643 25421 1720 1 10 . 1 1 21 21 TYR CA C 21 56.055 56.055 57.325 -1.270 25421 1721 1 10 . 1 1 21 21 TYR CB C 21 41.659 41.659 39.592 2.067 25421 1722 1 10 . 1 1 21 21 TYR H H 21 8.276 8.276 7.887 0.389 25421 1723 1 10 . 1 1 22 22 ALA N N 22 120.868 120.868 124.691 -3.823 25421 1724 1 10 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.760 -0.107 25421 1725 1 10 . 1 1 22 22 ALA C C 22 176.439 176.439 175.269 1.170 25421 1726 1 10 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.010 0.961 25421 1727 1 10 . 1 1 22 22 ALA CB C 22 23.106 23.106 22.220 0.886 25421 1728 1 10 . 1 1 22 22 ALA H H 22 9.357 9.357 8.254 1.103 25421 1729 1 10 . 1 1 23 23 CYS N N 23 122.679 122.679 118.175 4.504 25421 1730 1 10 . 1 1 23 23 CYS HA H 23 4.565 4.565 5.204 -0.639 25421 1731 1 10 . 1 1 23 23 CYS C C 23 174.530 174.530 174.840 -0.310 25421 1732 1 10 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.268 -2.564 25421 1733 1 10 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.448 12.392 25421 1734 1 10 . 1 1 23 23 CYS H H 23 8.917 8.917 8.749 0.168 25421 1735 1 10 . 1 1 24 24 SER N N 24 123.845 123.845 120.432 3.413 25421 1736 1 10 . 1 1 24 24 SER HA H 24 4.455 4.455 4.973 -0.518 25421 1737 1 10 . 1 1 24 24 SER C C 24 175.964 175.964 174.967 0.997 25421 1738 1 10 . 1 1 24 24 SER CA C 24 57.449 57.449 56.960 0.489 25421 1739 1 10 . 1 1 24 24 SER CB C 24 63.616 63.616 64.523 -0.907 25421 1740 1 10 . 1 1 24 24 SER H H 24 8.057 8.057 8.650 -0.593 25421 1741 1 10 . 1 1 25 25 SER N N 25 124.964 124.964 123.792 1.172 25421 1742 1 10 . 1 1 25 25 SER HA H 25 3.977 3.977 4.234 -0.258 25421 1743 1 10 . 1 1 25 25 SER C C 25 174.925 174.925 175.556 -0.631 25421 1744 1 10 . 1 1 25 25 SER CA C 25 61.411 61.411 59.863 1.548 25421 1745 1 10 . 1 1 25 25 SER CB C 25 62.650 62.650 63.466 -0.816 25421 1746 1 10 . 1 1 25 25 SER H H 25 9.029 9.029 9.026 0.003 25421 1747 1 10 . 1 1 26 26 ARG N N 26 119.221 119.221 119.988 -0.767 25421 1748 1 10 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.041 0.084 25421 1749 1 10 . 1 1 26 26 ARG C C 26 177.031 177.031 176.770 0.261 25421 1750 1 10 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.467 -0.532 25421 1751 1 10 . 1 1 26 26 ARG CB C 26 31.120 31.120 30.227 0.893 25421 1752 1 10 . 1 1 26 26 ARG H H 26 7.880 7.880 8.175 -0.295 25421 1753 1 10 . 1 1 27 27 ASP N N 27 115.090 115.090 114.735 0.355 25421 1754 1 10 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.332 -0.059 25421 1755 1 10 . 1 1 27 27 ASP CA C 27 54.557 54.557 53.140 1.417 25421 1756 1 10 . 1 1 27 27 ASP CB C 27 40.955 40.955 41.222 -0.267 25421 1757 1 10 . 1 1 27 27 ASP H H 27 7.396 7.396 7.523 -0.127 25421 1758 1 10 . 1 1 28 28 LYS N N 28 114.145 114.145 117.329 -3.184 25421 1759 1 10 . 1 1 28 28 LYS HA H 28 3.842 3.842 3.956 -0.114 25421 1760 1 10 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.365 0.120 25421 1761 1 10 . 1 1 28 28 LYS CB C 28 28.066 28.066 30.114 -2.048 25421 1762 1 10 . 1 1 28 28 LYS H H 28 8.096 8.096 7.898 0.198 25421 1763 1 10 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.259 0.138 25421 1764 1 10 . 1 1 29 29 TRP C C 29 177.187 177.187 174.896 2.291 25421 1765 1 10 . 1 1 29 29 TRP CA C 29 55.704 55.704 53.201 2.503 25421 1766 1 10 . 1 1 29 29 TRP CB C 29 31.279 31.279 29.911 1.368 25421 1767 1 10 . 1 1 30 30 CYS N N 30 119.238 119.238 119.060 0.178 25421 1768 1 10 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.073 -0.177 25421 1769 1 10 . 1 1 30 30 CYS C C 30 174.364 174.364 174.735 -0.371 25421 1770 1 10 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.386 -2.800 25421 1771 1 10 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.596 10.610 25421 1772 1 10 . 1 1 30 30 CYS H H 30 8.447 8.447 8.200 0.247 25421 1773 1 10 . 1 1 31 31 LYS N N 31 124.793 124.793 120.084 4.709 25421 1774 1 10 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.961 0.080 25421 1775 1 10 . 1 1 31 31 LYS C C 31 175.662 175.662 174.826 0.836 25421 1776 1 10 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.583 0.593 25421 1777 1 10 . 1 1 31 31 LYS CB C 31 35.875 35.875 35.977 -0.102 25421 1778 1 10 . 1 1 31 31 LYS H H 31 9.191 9.191 8.785 0.406 25421 1779 1 10 . 1 1 32 32 VAL N N 32 121.483 121.483 121.515 -0.032 25421 1780 1 10 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.891 -0.070 25421 1781 1 10 . 1 1 32 32 VAL C C 32 175.973 175.973 174.486 1.487 25421 1782 1 10 . 1 1 32 32 VAL CA C 32 64.073 64.073 60.474 3.599 25421 1783 1 10 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.882 -1.514 25421 1784 1 10 . 1 1 32 32 VAL H H 32 8.424 8.424 8.516 -0.092 25421 1785 1 10 . 1 1 33 33 LEU N N 33 128.865 128.865 128.519 0.346 25421 1786 1 10 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.377 -0.070 25421 1787 1 10 . 1 1 33 33 LEU C C 33 175.217 175.217 177.016 -1.799 25421 1788 1 10 . 1 1 33 33 LEU CA C 33 55.315 55.315 55.216 0.099 25421 1789 1 10 . 1 1 33 33 LEU CB C 33 42.589 42.589 41.929 0.660 25421 1790 1 10 . 1 1 33 33 LEU H H 33 8.045 8.045 8.260 -0.215 25421 1791 1 11 . 1 1 2 2 GLU N N 2 120.667 120.667 120.325 0.342 25421 1792 1 11 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.580 -0.154 25421 1793 1 11 . 1 1 2 2 GLU C C 2 175.960 175.960 176.274 -0.314 25421 1794 1 11 . 1 1 2 2 GLU CA C 2 56.073 56.073 56.268 -0.195 25421 1795 1 11 . 1 1 2 2 GLU CB C 2 30.439 30.439 30.595 -0.155 25421 1796 1 11 . 1 1 2 2 GLU H H 2 8.716 8.716 8.561 0.155 25421 1797 1 11 . 1 1 3 3 CYS N N 3 119.340 119.340 118.481 0.859 25421 1798 1 11 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.730 0.092 25421 1799 1 11 . 1 1 3 3 CYS C C 3 173.426 173.426 174.589 -1.163 25421 1800 1 11 . 1 1 3 3 CYS CA C 3 54.700 54.700 56.673 -1.973 25421 1801 1 11 . 1 1 3 3 CYS CB C 3 42.616 42.616 29.953 12.663 25421 1802 1 11 . 1 1 3 3 CYS H H 3 8.457 8.457 8.483 -0.026 25421 1803 1 11 . 1 1 4 4 LYS N N 4 121.064 121.064 122.017 -0.953 25421 1804 1 11 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.284 0.042 25421 1805 1 11 . 1 1 4 4 LYS C C 4 174.620 174.620 177.016 -2.396 25421 1806 1 11 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.880 -1.277 25421 1807 1 11 . 1 1 4 4 LYS CB C 4 34.310 34.310 33.071 1.239 25421 1808 1 11 . 1 1 4 4 LYS H H 4 8.763 8.763 8.065 0.698 25421 1809 1 11 . 1 1 5 5 GLY N N 5 109.502 109.502 107.378 2.124 25421 1810 1 11 . 1 1 5 5 GLY C C 5 171.833 171.833 173.877 -2.044 25421 1811 1 11 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.410 -2.768 25421 1812 1 11 . 1 1 5 5 GLY H H 5 7.983 7.983 8.185 -0.202 25421 1813 1 11 . 1 1 6 6 PHE N N 6 117.331 117.331 118.982 -1.651 25421 1814 1 11 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.913 -1.287 25421 1815 1 11 . 1 1 6 6 PHE C C 6 176.435 176.435 175.527 0.908 25421 1816 1 11 . 1 1 6 6 PHE CA C 6 57.913 57.913 58.313 -0.400 25421 1817 1 11 . 1 1 6 6 PHE CB C 6 39.083 39.083 41.138 -2.055 25421 1818 1 11 . 1 1 6 6 PHE H H 6 7.581 7.581 8.257 -0.676 25421 1819 1 11 . 1 1 7 7 TRP N N 7 123.869 123.869 120.132 3.737 25421 1820 1 11 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.305 -0.717 25421 1821 1 11 . 1 1 7 7 TRP C C 7 175.204 175.204 175.785 -0.581 25421 1822 1 11 . 1 1 7 7 TRP CA C 7 58.520 58.520 57.249 1.271 25421 1823 1 11 . 1 1 7 7 TRP CB C 7 28.287 28.287 30.055 -1.768 25421 1824 1 11 . 1 1 7 7 TRP H H 7 8.997 8.997 8.016 0.981 25421 1825 1 11 . 1 1 8 8 LYS N N 8 118.614 118.614 119.192 -0.578 25421 1826 1 11 . 1 1 8 8 LYS HA H 8 4.510 4.510 4.247 0.263 25421 1827 1 11 . 1 1 8 8 LYS C C 8 176.595 176.595 175.532 1.063 25421 1828 1 11 . 1 1 8 8 LYS CA C 8 53.984 53.984 56.730 -2.746 25421 1829 1 11 . 1 1 8 8 LYS CB C 8 32.796 32.796 32.733 0.062 25421 1830 1 11 . 1 1 8 8 LYS H H 8 7.719 7.719 7.771 -0.052 25421 1831 1 11 . 1 1 9 9 SER N N 9 116.747 116.747 113.380 3.367 25421 1832 1 11 . 1 1 9 9 SER HA H 9 4.808 4.808 4.827 -0.019 25421 1833 1 11 . 1 1 9 9 SER C C 9 172.976 172.976 173.309 -0.333 25421 1834 1 11 . 1 1 9 9 SER CA C 9 59.175 59.175 57.111 2.064 25421 1835 1 11 . 1 1 9 9 SER CB C 9 63.827 63.827 64.127 -0.300 25421 1836 1 11 . 1 1 9 9 SER H H 9 8.430 8.430 8.284 0.146 25421 1837 1 11 . 1 1 10 10 CYS N N 10 118.508 118.508 119.942 -1.434 25421 1838 1 11 . 1 1 10 10 CYS HA H 10 4.978 4.978 4.845 0.133 25421 1839 1 11 . 1 1 10 10 CYS C C 10 172.556 172.556 173.656 -1.100 25421 1840 1 11 . 1 1 10 10 CYS CA C 10 53.278 53.278 56.025 -2.747 25421 1841 1 11 . 1 1 10 10 CYS CB C 10 46.760 46.760 31.099 15.661 25421 1842 1 11 . 1 1 10 10 CYS H H 10 8.142 8.142 7.765 0.377 25421 1843 1 11 . 1 1 11 11 VAL N N 11 122.963 122.963 115.412 7.551 25421 1844 1 11 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.619 -0.284 25421 1845 1 11 . 1 1 11 11 VAL CA C 11 59.324 59.324 58.713 0.611 25421 1846 1 11 . 1 1 11 11 VAL CB C 11 32.923 32.923 32.817 0.106 25421 1847 1 11 . 1 1 11 11 VAL H H 11 8.835 8.835 8.381 0.454 25421 1848 1 11 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.336 -0.393 25421 1849 1 11 . 1 1 12 12 PRO C C 12 176.806 176.806 177.780 -0.974 25421 1850 1 11 . 1 1 12 12 PRO CA C 12 64.329 64.329 63.808 0.521 25421 1851 1 11 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.361 0.428 25421 1852 1 11 . 1 1 13 13 GLY N N 13 111.847 111.847 113.864 -2.017 25421 1853 1 11 . 1 1 13 13 GLY C C 13 174.856 174.856 175.160 -0.304 25421 1854 1 11 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.242 0.054 25421 1855 1 11 . 1 1 13 13 GLY H H 13 8.826 8.826 8.695 0.131 25421 1856 1 11 . 1 1 14 14 LYS N N 14 117.957 117.957 121.037 -3.080 25421 1857 1 11 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.320 0.163 25421 1858 1 11 . 1 1 14 14 LYS C C 14 175.718 175.718 176.672 -0.954 25421 1859 1 11 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.837 -1.424 25421 1860 1 11 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.540 -0.687 25421 1861 1 11 . 1 1 14 14 LYS H H 14 7.590 7.590 7.623 -0.033 25421 1862 1 11 . 1 1 15 15 ASN N N 15 118.663 118.663 115.533 3.130 25421 1863 1 11 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.481 0.196 25421 1864 1 11 . 1 1 15 15 ASN C C 15 175.372 175.372 175.077 0.295 25421 1865 1 11 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.831 -0.209 25421 1866 1 11 . 1 1 15 15 ASN CB C 15 37.371 37.371 36.286 1.085 25421 1867 1 11 . 1 1 15 15 ASN H H 15 8.473 8.473 8.057 0.416 25421 1868 1 11 . 1 1 16 16 GLU N N 16 115.492 115.492 115.477 0.015 25421 1869 1 11 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.109 0.195 25421 1870 1 11 . 1 1 16 16 GLU C C 16 178.083 178.083 177.405 0.678 25421 1871 1 11 . 1 1 16 16 GLU CA C 16 57.422 57.422 58.221 -0.799 25421 1872 1 11 . 1 1 16 16 GLU CB C 16 32.526 32.526 30.029 2.497 25421 1873 1 11 . 1 1 16 16 GLU H H 16 8.848 8.848 8.675 0.173 25421 1874 1 11 . 1 1 17 17 CYS N N 17 117.244 117.244 116.948 0.296 25421 1875 1 11 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.178 0.998 25421 1876 1 11 . 1 1 17 17 CYS C C 17 175.716 175.716 176.217 -0.501 25421 1877 1 11 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.406 -4.876 25421 1878 1 11 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.189 12.885 25421 1879 1 11 . 1 1 17 17 CYS H H 17 8.278 8.278 8.085 0.193 25421 1880 1 11 . 1 1 18 18 CYS N N 18 121.456 121.456 121.375 0.081 25421 1881 1 11 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.467 0.099 25421 1882 1 11 . 1 1 18 18 CYS C C 18 172.720 172.720 175.380 -2.660 25421 1883 1 11 . 1 1 18 18 CYS CA C 18 54.336 54.336 58.936 -4.600 25421 1884 1 11 . 1 1 18 18 CYS CB C 18 41.143 41.143 28.504 12.639 25421 1885 1 11 . 1 1 18 18 CYS H H 18 9.308 9.308 8.623 0.685 25421 1886 1 11 . 1 1 19 19 SER N N 19 114.196 114.196 117.046 -2.850 25421 1887 1 11 . 1 1 19 19 SER HA H 19 4.273 4.273 4.353 -0.080 25421 1888 1 11 . 1 1 19 19 SER C C 19 175.114 175.114 175.748 -0.634 25421 1889 1 11 . 1 1 19 19 SER CA C 19 60.335 60.335 59.872 0.463 25421 1890 1 11 . 1 1 19 19 SER CB C 19 63.047 63.047 63.318 -0.271 25421 1891 1 11 . 1 1 19 19 SER H H 19 8.461 8.461 8.772 -0.311 25421 1892 1 11 . 1 1 20 20 GLY N N 20 113.736 113.736 113.745 -0.009 25421 1893 1 11 . 1 1 20 20 GLY C C 20 173.468 173.468 173.305 0.163 25421 1894 1 11 . 1 1 20 20 GLY CA C 20 44.582 44.582 45.056 -0.474 25421 1895 1 11 . 1 1 20 20 GLY H H 20 8.836 8.836 8.727 0.109 25421 1896 1 11 . 1 1 21 21 TYR N N 21 118.820 118.820 119.087 -0.267 25421 1897 1 11 . 1 1 21 21 TYR HA H 21 5.269 5.269 5.101 0.168 25421 1898 1 11 . 1 1 21 21 TYR C C 21 174.011 174.011 174.316 -0.305 25421 1899 1 11 . 1 1 21 21 TYR CA C 21 56.055 56.055 56.245 -0.190 25421 1900 1 11 . 1 1 21 21 TYR CB C 21 41.659 41.659 41.252 0.407 25421 1901 1 11 . 1 1 21 21 TYR H H 21 8.276 8.276 7.478 0.798 25421 1902 1 11 . 1 1 22 22 ALA N N 22 120.868 120.868 124.247 -3.379 25421 1903 1 11 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.765 -0.112 25421 1904 1 11 . 1 1 22 22 ALA C C 22 176.439 176.439 175.219 1.220 25421 1905 1 11 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.028 0.943 25421 1906 1 11 . 1 1 22 22 ALA CB C 22 23.106 23.106 22.225 0.881 25421 1907 1 11 . 1 1 22 22 ALA H H 22 9.357 9.357 8.421 0.936 25421 1908 1 11 . 1 1 23 23 CYS N N 23 122.679 122.679 118.358 4.321 25421 1909 1 11 . 1 1 23 23 CYS HA H 23 4.565 4.565 5.168 -0.603 25421 1910 1 11 . 1 1 23 23 CYS C C 23 174.530 174.530 174.836 -0.306 25421 1911 1 11 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.225 -2.521 25421 1912 1 11 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.398 12.441 25421 1913 1 11 . 1 1 23 23 CYS H H 23 8.917 8.917 8.699 0.218 25421 1914 1 11 . 1 1 24 24 SER N N 24 123.845 123.845 120.655 3.190 25421 1915 1 11 . 1 1 24 24 SER HA H 24 4.455 4.455 4.977 -0.522 25421 1916 1 11 . 1 1 24 24 SER C C 24 175.964 175.964 175.008 0.956 25421 1917 1 11 . 1 1 24 24 SER CA C 24 57.449 57.449 56.966 0.483 25421 1918 1 11 . 1 1 24 24 SER CB C 24 63.616 63.616 64.377 -0.761 25421 1919 1 11 . 1 1 24 24 SER H H 24 8.057 8.057 8.662 -0.605 25421 1920 1 11 . 1 1 25 25 SER N N 25 124.964 124.964 123.835 1.129 25421 1921 1 11 . 1 1 25 25 SER HA H 25 3.977 3.977 4.218 -0.241 25421 1922 1 11 . 1 1 25 25 SER C C 25 174.925 174.925 175.375 -0.450 25421 1923 1 11 . 1 1 25 25 SER CA C 25 61.411 61.411 59.756 1.655 25421 1924 1 11 . 1 1 25 25 SER CB C 25 62.650 62.650 63.453 -0.803 25421 1925 1 11 . 1 1 25 25 SER H H 25 9.029 9.029 8.928 0.101 25421 1926 1 11 . 1 1 26 26 ARG N N 26 119.221 119.221 120.127 -0.906 25421 1927 1 11 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.024 0.101 25421 1928 1 11 . 1 1 26 26 ARG C C 26 177.031 177.031 176.647 0.384 25421 1929 1 11 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.410 -0.475 25421 1930 1 11 . 1 1 26 26 ARG CB C 26 31.120 31.120 30.097 1.023 25421 1931 1 11 . 1 1 26 26 ARG H H 26 7.880 7.880 8.107 -0.227 25421 1932 1 11 . 1 1 27 27 ASP N N 27 115.090 115.090 114.476 0.614 25421 1933 1 11 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.269 0.004 25421 1934 1 11 . 1 1 27 27 ASP CA C 27 54.557 54.557 53.205 1.352 25421 1935 1 11 . 1 1 27 27 ASP CB C 27 40.955 40.955 41.054 -0.099 25421 1936 1 11 . 1 1 27 27 ASP H H 27 7.396 7.396 7.542 -0.146 25421 1937 1 11 . 1 1 28 28 LYS N N 28 114.145 114.145 118.032 -3.887 25421 1938 1 11 . 1 1 28 28 LYS HA H 28 3.842 3.842 3.989 -0.147 25421 1939 1 11 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.401 0.085 25421 1940 1 11 . 1 1 28 28 LYS CB C 28 28.066 28.066 29.887 -1.821 25421 1941 1 11 . 1 1 28 28 LYS H H 28 8.096 8.096 8.034 0.062 25421 1942 1 11 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.277 0.120 25421 1943 1 11 . 1 1 29 29 TRP C C 29 177.187 177.187 174.944 2.243 25421 1944 1 11 . 1 1 29 29 TRP CA C 29 55.704 55.704 53.202 2.502 25421 1945 1 11 . 1 1 29 29 TRP CB C 29 31.279 31.279 29.843 1.436 25421 1946 1 11 . 1 1 30 30 CYS N N 30 119.238 119.238 118.988 0.250 25421 1947 1 11 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.199 -0.303 25421 1948 1 11 . 1 1 30 30 CYS C C 30 174.364 174.364 174.762 -0.398 25421 1949 1 11 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.175 -2.589 25421 1950 1 11 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.756 10.450 25421 1951 1 11 . 1 1 30 30 CYS H H 30 8.447 8.447 8.054 0.393 25421 1952 1 11 . 1 1 31 31 LYS N N 31 124.793 124.793 120.330 4.463 25421 1953 1 11 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.933 0.108 25421 1954 1 11 . 1 1 31 31 LYS C C 31 175.662 175.662 174.863 0.799 25421 1955 1 11 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.332 0.844 25421 1956 1 11 . 1 1 31 31 LYS CB C 31 35.875 35.875 36.025 -0.150 25421 1957 1 11 . 1 1 31 31 LYS H H 31 9.191 9.191 8.830 0.361 25421 1958 1 11 . 1 1 32 32 VAL N N 32 121.483 121.483 122.708 -1.225 25421 1959 1 11 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.953 -0.132 25421 1960 1 11 . 1 1 32 32 VAL C C 32 175.973 175.973 174.514 1.459 25421 1961 1 11 . 1 1 32 32 VAL CA C 32 64.073 64.073 59.453 4.620 25421 1962 1 11 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.640 -1.272 25421 1963 1 11 . 1 1 32 32 VAL H H 32 8.424 8.424 8.650 -0.226 25421 1964 1 11 . 1 1 33 33 LEU N N 33 128.865 128.865 128.911 -0.046 25421 1965 1 11 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.174 0.133 25421 1966 1 11 . 1 1 33 33 LEU C C 33 175.217 175.217 176.610 -1.393 25421 1967 1 11 . 1 1 33 33 LEU CA C 33 55.315 55.315 55.362 -0.047 25421 1968 1 11 . 1 1 33 33 LEU CB C 33 42.589 42.589 41.021 1.568 25421 1969 1 11 . 1 1 33 33 LEU H H 33 8.045 8.045 8.079 -0.034 25421 1970 1 12 . 1 1 2 2 GLU N N 2 120.667 120.667 119.691 0.976 25421 1971 1 12 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.510 -0.084 25421 1972 1 12 . 1 1 2 2 GLU C C 2 175.960 175.960 175.044 0.916 25421 1973 1 12 . 1 1 2 2 GLU CA C 2 56.073 56.073 56.049 0.024 25421 1974 1 12 . 1 1 2 2 GLU CB C 2 30.439 30.439 30.613 -0.174 25421 1975 1 12 . 1 1 2 2 GLU H H 2 8.716 8.716 8.161 0.555 25421 1976 1 12 . 1 1 3 3 CYS N N 3 119.340 119.340 118.568 0.772 25421 1977 1 12 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.820 0.002 25421 1978 1 12 . 1 1 3 3 CYS C C 3 173.426 173.426 174.512 -1.086 25421 1979 1 12 . 1 1 3 3 CYS CA C 3 54.700 54.700 56.986 -2.286 25421 1980 1 12 . 1 1 3 3 CYS CB C 3 42.616 42.616 29.845 12.771 25421 1981 1 12 . 1 1 3 3 CYS H H 3 8.457 8.457 8.343 0.114 25421 1982 1 12 . 1 1 4 4 LYS N N 4 121.064 121.064 122.647 -1.583 25421 1983 1 12 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.272 0.054 25421 1984 1 12 . 1 1 4 4 LYS C C 4 174.620 174.620 176.819 -2.199 25421 1985 1 12 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.748 -1.145 25421 1986 1 12 . 1 1 4 4 LYS CB C 4 34.310 34.310 32.959 1.351 25421 1987 1 12 . 1 1 4 4 LYS H H 4 8.763 8.763 8.452 0.311 25421 1988 1 12 . 1 1 5 5 GLY N N 5 109.502 109.502 107.228 2.274 25421 1989 1 12 . 1 1 5 5 GLY C C 5 171.833 171.833 173.158 -1.325 25421 1990 1 12 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.375 -2.733 25421 1991 1 12 . 1 1 5 5 GLY H H 5 7.983 7.983 8.179 -0.196 25421 1992 1 12 . 1 1 6 6 PHE N N 6 117.331 117.331 118.091 -0.760 25421 1993 1 12 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.817 -1.191 25421 1994 1 12 . 1 1 6 6 PHE C C 6 176.435 176.435 174.914 1.521 25421 1995 1 12 . 1 1 6 6 PHE CA C 6 57.913 57.913 58.418 -0.505 25421 1996 1 12 . 1 1 6 6 PHE CB C 6 39.083 39.083 40.810 -1.727 25421 1997 1 12 . 1 1 6 6 PHE H H 6 7.581 7.581 8.124 -0.543 25421 1998 1 12 . 1 1 7 7 TRP N N 7 123.869 123.869 118.839 5.030 25421 1999 1 12 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.419 -0.831 25421 2000 1 12 . 1 1 7 7 TRP C C 7 175.204 175.204 176.086 -0.882 25421 2001 1 12 . 1 1 7 7 TRP CA C 7 58.520 58.520 58.172 0.347 25421 2002 1 12 . 1 1 7 7 TRP CB C 7 28.287 28.287 29.537 -1.250 25421 2003 1 12 . 1 1 7 7 TRP H H 7 8.997 8.997 8.130 0.867 25421 2004 1 12 . 1 1 8 8 LYS N N 8 118.614 118.614 118.844 -0.230 25421 2005 1 12 . 1 1 8 8 LYS HA H 8 4.510 4.510 4.359 0.151 25421 2006 1 12 . 1 1 8 8 LYS C C 8 176.595 176.595 175.852 0.743 25421 2007 1 12 . 1 1 8 8 LYS CA C 8 53.984 53.984 56.419 -2.435 25421 2008 1 12 . 1 1 8 8 LYS CB C 8 32.796 32.796 32.676 0.120 25421 2009 1 12 . 1 1 8 8 LYS H H 8 7.719 7.719 7.778 -0.059 25421 2010 1 12 . 1 1 9 9 SER N N 9 116.747 116.747 112.557 4.190 25421 2011 1 12 . 1 1 9 9 SER HA H 9 4.808 4.808 4.943 -0.135 25421 2012 1 12 . 1 1 9 9 SER C C 9 172.976 172.976 173.602 -0.626 25421 2013 1 12 . 1 1 9 9 SER CA C 9 59.175 59.175 57.028 2.147 25421 2014 1 12 . 1 1 9 9 SER CB C 9 63.827 63.827 64.252 -0.425 25421 2015 1 12 . 1 1 9 9 SER H H 9 8.430 8.430 8.319 0.111 25421 2016 1 12 . 1 1 10 10 CYS N N 10 118.508 118.508 120.382 -1.874 25421 2017 1 12 . 1 1 10 10 CYS HA H 10 4.978 4.978 5.050 -0.072 25421 2018 1 12 . 1 1 10 10 CYS C C 10 172.556 172.556 174.341 -1.785 25421 2019 1 12 . 1 1 10 10 CYS CA C 10 53.278 53.278 56.603 -3.325 25421 2020 1 12 . 1 1 10 10 CYS CB C 10 46.760 46.760 30.836 15.924 25421 2021 1 12 . 1 1 10 10 CYS H H 10 8.142 8.142 7.980 0.162 25421 2022 1 12 . 1 1 11 11 VAL N N 11 122.963 122.963 117.308 5.655 25421 2023 1 12 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.739 -0.404 25421 2024 1 12 . 1 1 11 11 VAL CA C 11 59.324 59.324 58.850 0.474 25421 2025 1 12 . 1 1 11 11 VAL CB C 11 32.923 32.923 32.182 0.741 25421 2026 1 12 . 1 1 11 11 VAL H H 11 8.835 8.835 8.513 0.322 25421 2027 1 12 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.403 -0.460 25421 2028 1 12 . 1 1 12 12 PRO C C 12 176.806 176.806 177.789 -0.983 25421 2029 1 12 . 1 1 12 12 PRO CA C 12 64.329 64.329 63.940 0.389 25421 2030 1 12 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.452 0.337 25421 2031 1 12 . 1 1 13 13 GLY N N 13 111.847 111.847 112.165 -0.318 25421 2032 1 12 . 1 1 13 13 GLY C C 13 174.856 174.856 174.941 -0.085 25421 2033 1 12 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.126 0.170 25421 2034 1 12 . 1 1 13 13 GLY H H 13 8.826 8.826 8.576 0.249 25421 2035 1 12 . 1 1 14 14 LYS N N 14 117.957 117.957 120.998 -3.041 25421 2036 1 12 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.278 0.205 25421 2037 1 12 . 1 1 14 14 LYS C C 14 175.718 175.718 176.816 -1.098 25421 2038 1 12 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.853 -1.440 25421 2039 1 12 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.603 -0.750 25421 2040 1 12 . 1 1 14 14 LYS H H 14 7.590 7.590 7.614 -0.024 25421 2041 1 12 . 1 1 15 15 ASN N N 15 118.663 118.663 115.650 3.013 25421 2042 1 12 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.472 0.205 25421 2043 1 12 . 1 1 15 15 ASN C C 15 175.372 175.372 175.067 0.305 25421 2044 1 12 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.561 0.061 25421 2045 1 12 . 1 1 15 15 ASN CB C 15 37.371 37.371 36.790 0.581 25421 2046 1 12 . 1 1 15 15 ASN H H 15 8.473 8.473 8.015 0.458 25421 2047 1 12 . 1 1 16 16 GLU N N 16 115.492 115.492 115.655 -0.163 25421 2048 1 12 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.115 0.189 25421 2049 1 12 . 1 1 16 16 GLU C C 16 178.083 178.083 177.353 0.730 25421 2050 1 12 . 1 1 16 16 GLU CA C 16 57.422 57.422 58.144 -0.722 25421 2051 1 12 . 1 1 16 16 GLU CB C 16 32.526 32.526 30.091 2.435 25421 2052 1 12 . 1 1 16 16 GLU H H 16 8.848 8.848 8.598 0.250 25421 2053 1 12 . 1 1 17 17 CYS N N 17 117.244 117.244 117.106 0.138 25421 2054 1 12 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.129 1.047 25421 2055 1 12 . 1 1 17 17 CYS C C 17 175.716 175.716 176.165 -0.449 25421 2056 1 12 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.270 -4.740 25421 2057 1 12 . 1 1 17 17 CYS CB C 17 40.074 40.074 26.943 13.131 25421 2058 1 12 . 1 1 17 17 CYS H H 17 8.278 8.278 8.159 0.119 25421 2059 1 12 . 1 1 18 18 CYS N N 18 121.456 121.456 121.339 0.117 25421 2060 1 12 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.379 0.187 25421 2061 1 12 . 1 1 18 18 CYS C C 18 172.720 172.720 175.482 -2.762 25421 2062 1 12 . 1 1 18 18 CYS CA C 18 54.336 54.336 59.297 -4.961 25421 2063 1 12 . 1 1 18 18 CYS CB C 18 41.143 41.143 28.098 13.045 25421 2064 1 12 . 1 1 18 18 CYS H H 18 9.308 9.308 8.338 0.970 25421 2065 1 12 . 1 1 19 19 SER N N 19 114.196 114.196 117.346 -3.150 25421 2066 1 12 . 1 1 19 19 SER HA H 19 4.273 4.273 4.299 -0.026 25421 2067 1 12 . 1 1 19 19 SER C C 19 175.114 175.114 175.626 -0.512 25421 2068 1 12 . 1 1 19 19 SER CA C 19 60.335 60.335 59.786 0.549 25421 2069 1 12 . 1 1 19 19 SER CB C 19 63.047 63.047 63.064 -0.017 25421 2070 1 12 . 1 1 19 19 SER H H 19 8.461 8.461 8.768 -0.307 25421 2071 1 12 . 1 1 20 20 GLY N N 20 113.736 113.736 114.334 -0.598 25421 2072 1 12 . 1 1 20 20 GLY C C 20 173.468 173.468 173.204 0.264 25421 2073 1 12 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.914 -0.332 25421 2074 1 12 . 1 1 20 20 GLY H H 20 8.836 8.836 8.689 0.147 25421 2075 1 12 . 1 1 21 21 TYR N N 21 118.820 118.820 119.294 -0.474 25421 2076 1 12 . 1 1 21 21 TYR HA H 21 5.269 5.269 5.073 0.196 25421 2077 1 12 . 1 1 21 21 TYR C C 21 174.011 174.011 174.347 -0.336 25421 2078 1 12 . 1 1 21 21 TYR CA C 21 56.055 56.055 56.221 -0.167 25421 2079 1 12 . 1 1 21 21 TYR CB C 21 41.659 41.659 41.099 0.560 25421 2080 1 12 . 1 1 21 21 TYR H H 21 8.276 8.276 7.514 0.762 25421 2081 1 12 . 1 1 22 22 ALA N N 22 120.868 120.868 123.744 -2.876 25421 2082 1 12 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.721 -0.068 25421 2083 1 12 . 1 1 22 22 ALA C C 22 176.439 176.439 175.035 1.404 25421 2084 1 12 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.333 0.638 25421 2085 1 12 . 1 1 22 22 ALA CB C 22 23.106 23.106 21.683 1.423 25421 2086 1 12 . 1 1 22 22 ALA H H 22 9.357 9.357 8.467 0.890 25421 2087 1 12 . 1 1 23 23 CYS N N 23 122.679 122.679 118.245 4.434 25421 2088 1 12 . 1 1 23 23 CYS HA H 23 4.565 4.565 5.070 -0.505 25421 2089 1 12 . 1 1 23 23 CYS C C 23 174.530 174.530 174.826 -0.296 25421 2090 1 12 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.209 -2.505 25421 2091 1 12 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.403 12.437 25421 2092 1 12 . 1 1 23 23 CYS H H 23 8.917 8.917 8.417 0.500 25421 2093 1 12 . 1 1 24 24 SER N N 24 123.845 123.845 120.715 3.130 25421 2094 1 12 . 1 1 24 24 SER HA H 24 4.455 4.455 4.954 -0.499 25421 2095 1 12 . 1 1 24 24 SER C C 24 175.964 175.964 174.939 1.025 25421 2096 1 12 . 1 1 24 24 SER CA C 24 57.449 57.449 57.087 0.362 25421 2097 1 12 . 1 1 24 24 SER CB C 24 63.616 63.616 64.429 -0.813 25421 2098 1 12 . 1 1 24 24 SER H H 24 8.057 8.057 8.589 -0.532 25421 2099 1 12 . 1 1 25 25 SER N N 25 124.964 124.964 123.489 1.475 25421 2100 1 12 . 1 1 25 25 SER HA H 25 3.977 3.977 4.211 -0.234 25421 2101 1 12 . 1 1 25 25 SER C C 25 174.925 174.925 175.493 -0.568 25421 2102 1 12 . 1 1 25 25 SER CA C 25 61.411 61.411 59.895 1.516 25421 2103 1 12 . 1 1 25 25 SER CB C 25 62.650 62.650 63.491 -0.841 25421 2104 1 12 . 1 1 25 25 SER H H 25 9.029 9.029 8.915 0.114 25421 2105 1 12 . 1 1 26 26 ARG N N 26 119.221 119.221 119.917 -0.696 25421 2106 1 12 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.040 0.085 25421 2107 1 12 . 1 1 26 26 ARG C C 26 177.031 177.031 176.699 0.332 25421 2108 1 12 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.297 -0.361 25421 2109 1 12 . 1 1 26 26 ARG CB C 26 31.120 31.120 29.999 1.121 25421 2110 1 12 . 1 1 26 26 ARG H H 26 7.880 7.880 8.119 -0.239 25421 2111 1 12 . 1 1 27 27 ASP N N 27 115.090 115.090 115.688 -0.598 25421 2112 1 12 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.305 -0.032 25421 2113 1 12 . 1 1 27 27 ASP CA C 27 54.557 54.557 53.313 1.244 25421 2114 1 12 . 1 1 27 27 ASP CB C 27 40.955 40.955 40.627 0.328 25421 2115 1 12 . 1 1 27 27 ASP H H 27 7.396 7.396 7.509 -0.113 25421 2116 1 12 . 1 1 28 28 LYS N N 28 114.145 114.145 116.746 -2.601 25421 2117 1 12 . 1 1 28 28 LYS HA H 28 3.842 3.842 3.908 -0.066 25421 2118 1 12 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.328 0.158 25421 2119 1 12 . 1 1 28 28 LYS CB C 28 28.066 28.066 30.120 -2.054 25421 2120 1 12 . 1 1 28 28 LYS H H 28 8.096 8.096 7.900 0.196 25421 2121 1 12 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.366 0.031 25421 2122 1 12 . 1 1 29 29 TRP C C 29 177.187 177.187 174.903 2.284 25421 2123 1 12 . 1 1 29 29 TRP CA C 29 55.704 55.704 53.181 2.523 25421 2124 1 12 . 1 1 29 29 TRP CB C 29 31.279 31.279 29.985 1.294 25421 2125 1 12 . 1 1 30 30 CYS N N 30 119.238 119.238 118.996 0.242 25421 2126 1 12 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.041 -0.145 25421 2127 1 12 . 1 1 30 30 CYS C C 30 174.364 174.364 174.574 -0.210 25421 2128 1 12 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.035 -2.449 25421 2129 1 12 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.681 10.525 25421 2130 1 12 . 1 1 30 30 CYS H H 30 8.447 8.447 8.052 0.395 25421 2131 1 12 . 1 1 31 31 LYS N N 31 124.793 124.793 120.231 4.562 25421 2132 1 12 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.737 0.304 25421 2133 1 12 . 1 1 31 31 LYS C C 31 175.662 175.662 174.780 0.882 25421 2134 1 12 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.150 1.026 25421 2135 1 12 . 1 1 31 31 LYS CB C 31 35.875 35.875 36.045 -0.170 25421 2136 1 12 . 1 1 31 31 LYS H H 31 9.191 9.191 8.738 0.453 25421 2137 1 12 . 1 1 32 32 VAL N N 32 121.483 121.483 122.578 -1.095 25421 2138 1 12 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.930 -0.109 25421 2139 1 12 . 1 1 32 32 VAL C C 32 175.973 175.973 174.450 1.523 25421 2140 1 12 . 1 1 32 32 VAL CA C 32 64.073 64.073 59.625 4.448 25421 2141 1 12 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.636 -1.268 25421 2142 1 12 . 1 1 32 32 VAL H H 32 8.424 8.424 8.632 -0.208 25421 2143 1 12 . 1 1 33 33 LEU N N 33 128.865 128.865 129.068 -0.203 25421 2144 1 12 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.227 0.080 25421 2145 1 12 . 1 1 33 33 LEU C C 33 175.217 175.217 176.651 -1.434 25421 2146 1 12 . 1 1 33 33 LEU CA C 33 55.315 55.315 55.074 0.241 25421 2147 1 12 . 1 1 33 33 LEU CB C 33 42.589 42.589 41.028 1.561 25421 2148 1 12 . 1 1 33 33 LEU H H 33 8.045 8.045 8.098 -0.053 25421 2149 1 13 . 1 1 2 2 GLU N N 2 120.667 120.667 121.217 -0.550 25421 2150 1 13 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.623 -0.197 25421 2151 1 13 . 1 1 2 2 GLU C C 2 175.960 175.960 176.053 -0.093 25421 2152 1 13 . 1 1 2 2 GLU CA C 2 56.073 56.073 55.812 0.261 25421 2153 1 13 . 1 1 2 2 GLU CB C 2 30.439 30.439 30.822 -0.383 25421 2154 1 13 . 1 1 2 2 GLU H H 2 8.716 8.716 8.309 0.407 25421 2155 1 13 . 1 1 3 3 CYS N N 3 119.340 119.340 119.809 -0.469 25421 2156 1 13 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.686 0.136 25421 2157 1 13 . 1 1 3 3 CYS C C 3 173.426 173.426 174.373 -0.947 25421 2158 1 13 . 1 1 3 3 CYS CA C 3 54.700 54.700 56.717 -2.017 25421 2159 1 13 . 1 1 3 3 CYS CB C 3 42.616 42.616 29.784 12.832 25421 2160 1 13 . 1 1 3 3 CYS H H 3 8.457 8.457 8.400 0.057 25421 2161 1 13 . 1 1 4 4 LYS N N 4 121.064 121.064 122.854 -1.790 25421 2162 1 13 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.319 0.007 25421 2163 1 13 . 1 1 4 4 LYS C C 4 174.620 174.620 176.937 -2.317 25421 2164 1 13 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.711 -1.108 25421 2165 1 13 . 1 1 4 4 LYS CB C 4 34.310 34.310 33.086 1.224 25421 2166 1 13 . 1 1 4 4 LYS H H 4 8.763 8.763 8.337 0.426 25421 2167 1 13 . 1 1 5 5 GLY N N 5 109.502 109.502 107.468 2.034 25421 2168 1 13 . 1 1 5 5 GLY C C 5 171.833 171.833 173.906 -2.073 25421 2169 1 13 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.496 -2.854 25421 2170 1 13 . 1 1 5 5 GLY H H 5 7.983 7.983 8.217 -0.234 25421 2171 1 13 . 1 1 6 6 PHE N N 6 117.331 117.331 118.036 -0.705 25421 2172 1 13 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.877 -1.251 25421 2173 1 13 . 1 1 6 6 PHE C C 6 176.435 176.435 174.878 1.557 25421 2174 1 13 . 1 1 6 6 PHE CA C 6 57.913 57.913 58.110 -0.197 25421 2175 1 13 . 1 1 6 6 PHE CB C 6 39.083 39.083 40.849 -1.766 25421 2176 1 13 . 1 1 6 6 PHE H H 6 7.581 7.581 8.234 -0.653 25421 2177 1 13 . 1 1 7 7 TRP N N 7 123.869 123.869 119.027 4.842 25421 2178 1 13 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.426 -0.838 25421 2179 1 13 . 1 1 7 7 TRP C C 7 175.204 175.204 176.095 -0.891 25421 2180 1 13 . 1 1 7 7 TRP CA C 7 58.520 58.520 57.596 0.924 25421 2181 1 13 . 1 1 7 7 TRP CB C 7 28.287 28.287 29.776 -1.489 25421 2182 1 13 . 1 1 7 7 TRP H H 7 8.997 8.997 8.016 0.981 25421 2183 1 13 . 1 1 8 8 LYS N N 8 118.614 118.614 119.361 -0.747 25421 2184 1 13 . 1 1 8 8 LYS HA H 8 4.510 4.510 4.312 0.198 25421 2185 1 13 . 1 1 8 8 LYS C C 8 176.595 176.595 175.994 0.601 25421 2186 1 13 . 1 1 8 8 LYS CA C 8 53.984 53.984 56.809 -2.825 25421 2187 1 13 . 1 1 8 8 LYS CB C 8 32.796 32.796 32.735 0.061 25421 2188 1 13 . 1 1 8 8 LYS H H 8 7.719 7.719 7.753 -0.034 25421 2189 1 13 . 1 1 9 9 SER N N 9 116.747 116.747 114.766 1.981 25421 2190 1 13 . 1 1 9 9 SER HA H 9 4.808 4.808 4.943 -0.135 25421 2191 1 13 . 1 1 9 9 SER C C 9 172.976 172.976 173.378 -0.402 25421 2192 1 13 . 1 1 9 9 SER CA C 9 59.175 59.175 57.393 1.782 25421 2193 1 13 . 1 1 9 9 SER CB C 9 63.827 63.827 64.020 -0.193 25421 2194 1 13 . 1 1 9 9 SER H H 9 8.430 8.430 8.345 0.085 25421 2195 1 13 . 1 1 10 10 CYS N N 10 118.508 118.508 121.407 -2.899 25421 2196 1 13 . 1 1 10 10 CYS HA H 10 4.978 4.978 5.077 -0.099 25421 2197 1 13 . 1 1 10 10 CYS C C 10 172.556 172.556 172.960 -0.404 25421 2198 1 13 . 1 1 10 10 CYS CA C 10 53.278 53.278 56.378 -3.100 25421 2199 1 13 . 1 1 10 10 CYS CB C 10 46.760 46.760 30.600 16.160 25421 2200 1 13 . 1 1 10 10 CYS H H 10 8.142 8.142 8.011 0.131 25421 2201 1 13 . 1 1 11 11 VAL N N 11 122.963 122.963 114.657 8.306 25421 2202 1 13 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.578 -0.243 25421 2203 1 13 . 1 1 11 11 VAL CA C 11 59.324 59.324 58.127 1.196 25421 2204 1 13 . 1 1 11 11 VAL CB C 11 32.923 32.923 33.074 -0.151 25421 2205 1 13 . 1 1 11 11 VAL H H 11 8.835 8.835 7.986 0.849 25421 2206 1 13 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.365 -0.422 25421 2207 1 13 . 1 1 12 12 PRO C C 12 176.806 176.806 177.927 -1.121 25421 2208 1 13 . 1 1 12 12 PRO CA C 12 64.329 64.329 63.639 0.690 25421 2209 1 13 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.526 0.263 25421 2210 1 13 . 1 1 13 13 GLY N N 13 111.847 111.847 113.641 -1.794 25421 2211 1 13 . 1 1 13 13 GLY C C 13 174.856 174.856 175.153 -0.297 25421 2212 1 13 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.332 -0.036 25421 2213 1 13 . 1 1 13 13 GLY H H 13 8.826 8.826 8.723 0.103 25421 2214 1 13 . 1 1 14 14 LYS N N 14 117.957 117.957 121.019 -3.062 25421 2215 1 13 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.250 0.233 25421 2216 1 13 . 1 1 14 14 LYS C C 14 175.718 175.718 176.871 -1.153 25421 2217 1 13 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.903 -1.490 25421 2218 1 13 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.439 -0.586 25421 2219 1 13 . 1 1 14 14 LYS H H 14 7.590 7.590 7.497 0.093 25421 2220 1 13 . 1 1 15 15 ASN N N 15 118.663 118.663 115.432 3.231 25421 2221 1 13 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.480 0.197 25421 2222 1 13 . 1 1 15 15 ASN C C 15 175.372 175.372 175.076 0.296 25421 2223 1 13 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.736 -0.114 25421 2224 1 13 . 1 1 15 15 ASN CB C 15 37.371 37.371 36.536 0.835 25421 2225 1 13 . 1 1 15 15 ASN H H 15 8.473 8.473 8.065 0.408 25421 2226 1 13 . 1 1 16 16 GLU N N 16 115.492 115.492 115.890 -0.398 25421 2227 1 13 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.208 0.096 25421 2228 1 13 . 1 1 16 16 GLU C C 16 178.083 178.083 177.483 0.600 25421 2229 1 13 . 1 1 16 16 GLU CA C 16 57.422 57.422 57.560 -0.138 25421 2230 1 13 . 1 1 16 16 GLU CB C 16 32.526 32.526 29.998 2.528 25421 2231 1 13 . 1 1 16 16 GLU H H 16 8.848 8.848 8.778 0.070 25421 2232 1 13 . 1 1 17 17 CYS N N 17 117.244 117.244 117.731 -0.487 25421 2233 1 13 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.171 1.005 25421 2234 1 13 . 1 1 17 17 CYS C C 17 175.716 175.716 176.074 -0.358 25421 2235 1 13 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.484 -4.954 25421 2236 1 13 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.135 12.939 25421 2237 1 13 . 1 1 17 17 CYS H H 17 8.278 8.278 8.195 0.083 25421 2238 1 13 . 1 1 18 18 CYS N N 18 121.456 121.456 121.115 0.341 25421 2239 1 13 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.454 0.112 25421 2240 1 13 . 1 1 18 18 CYS C C 18 172.720 172.720 175.394 -2.674 25421 2241 1 13 . 1 1 18 18 CYS CA C 18 54.336 54.336 58.899 -4.563 25421 2242 1 13 . 1 1 18 18 CYS CB C 18 41.143 41.143 28.417 12.726 25421 2243 1 13 . 1 1 18 18 CYS H H 18 9.308 9.308 8.485 0.823 25421 2244 1 13 . 1 1 19 19 SER N N 19 114.196 114.196 117.277 -3.081 25421 2245 1 13 . 1 1 19 19 SER HA H 19 4.273 4.273 4.286 -0.013 25421 2246 1 13 . 1 1 19 19 SER C C 19 175.114 175.114 175.762 -0.648 25421 2247 1 13 . 1 1 19 19 SER CA C 19 60.335 60.335 60.004 0.331 25421 2248 1 13 . 1 1 19 19 SER CB C 19 63.047 63.047 63.240 -0.193 25421 2249 1 13 . 1 1 19 19 SER H H 19 8.461 8.461 8.784 -0.323 25421 2250 1 13 . 1 1 20 20 GLY N N 20 113.736 113.736 113.711 0.025 25421 2251 1 13 . 1 1 20 20 GLY C C 20 173.468 173.468 173.120 0.348 25421 2252 1 13 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.906 -0.324 25421 2253 1 13 . 1 1 20 20 GLY H H 20 8.836 8.836 8.627 0.209 25421 2254 1 13 . 1 1 21 21 TYR N N 21 118.820 118.820 119.099 -0.279 25421 2255 1 13 . 1 1 21 21 TYR HA H 21 5.269 5.269 5.098 0.171 25421 2256 1 13 . 1 1 21 21 TYR C C 21 174.011 174.011 174.224 -0.213 25421 2257 1 13 . 1 1 21 21 TYR CA C 21 56.055 56.055 56.138 -0.083 25421 2258 1 13 . 1 1 21 21 TYR CB C 21 41.659 41.659 41.273 0.386 25421 2259 1 13 . 1 1 21 21 TYR H H 21 8.276 8.276 7.541 0.735 25421 2260 1 13 . 1 1 22 22 ALA N N 22 120.868 120.868 124.229 -3.361 25421 2261 1 13 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.760 -0.107 25421 2262 1 13 . 1 1 22 22 ALA C C 22 176.439 176.439 175.234 1.205 25421 2263 1 13 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.017 0.954 25421 2264 1 13 . 1 1 22 22 ALA CB C 22 23.106 23.106 22.219 0.887 25421 2265 1 13 . 1 1 22 22 ALA H H 22 9.357 9.357 8.322 1.035 25421 2266 1 13 . 1 1 23 23 CYS N N 23 122.679 122.679 118.270 4.409 25421 2267 1 13 . 1 1 23 23 CYS HA H 23 4.565 4.565 5.205 -0.640 25421 2268 1 13 . 1 1 23 23 CYS C C 23 174.530 174.530 174.926 -0.396 25421 2269 1 13 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.194 -2.490 25421 2270 1 13 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.410 12.430 25421 2271 1 13 . 1 1 23 23 CYS H H 23 8.917 8.917 8.709 0.208 25421 2272 1 13 . 1 1 24 24 SER N N 24 123.845 123.845 120.568 3.277 25421 2273 1 13 . 1 1 24 24 SER HA H 24 4.455 4.455 4.953 -0.498 25421 2274 1 13 . 1 1 24 24 SER C C 24 175.964 175.964 174.952 1.012 25421 2275 1 13 . 1 1 24 24 SER CA C 24 57.449 57.449 57.051 0.398 25421 2276 1 13 . 1 1 24 24 SER CB C 24 63.616 63.616 64.297 -0.681 25421 2277 1 13 . 1 1 24 24 SER H H 24 8.057 8.057 8.622 -0.565 25421 2278 1 13 . 1 1 25 25 SER N N 25 124.964 124.964 123.324 1.640 25421 2279 1 13 . 1 1 25 25 SER HA H 25 3.977 3.977 4.231 -0.254 25421 2280 1 13 . 1 1 25 25 SER C C 25 174.925 174.925 176.143 -1.218 25421 2281 1 13 . 1 1 25 25 SER CA C 25 61.411 61.411 60.113 1.298 25421 2282 1 13 . 1 1 25 25 SER CB C 25 62.650 62.650 63.276 -0.626 25421 2283 1 13 . 1 1 25 25 SER H H 25 9.029 9.029 9.058 -0.029 25421 2284 1 13 . 1 1 26 26 ARG N N 26 119.221 119.221 121.631 -2.410 25421 2285 1 13 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.068 0.057 25421 2286 1 13 . 1 1 26 26 ARG C C 26 177.031 177.031 176.702 0.329 25421 2287 1 13 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.745 -0.809 25421 2288 1 13 . 1 1 26 26 ARG CB C 26 31.120 31.120 30.190 0.930 25421 2289 1 13 . 1 1 26 26 ARG H H 26 7.880 7.880 8.109 -0.229 25421 2290 1 13 . 1 1 27 27 ASP N N 27 115.090 115.090 115.561 -0.471 25421 2291 1 13 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.385 -0.112 25421 2292 1 13 . 1 1 27 27 ASP CA C 27 54.557 54.557 53.150 1.407 25421 2293 1 13 . 1 1 27 27 ASP CB C 27 40.955 40.955 40.598 0.357 25421 2294 1 13 . 1 1 27 27 ASP H H 27 7.396 7.396 7.493 -0.097 25421 2295 1 13 . 1 1 28 28 LYS N N 28 114.145 114.145 116.996 -2.851 25421 2296 1 13 . 1 1 28 28 LYS HA H 28 3.842 3.842 4.011 -0.169 25421 2297 1 13 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.465 0.021 25421 2298 1 13 . 1 1 28 28 LYS CB C 28 28.066 28.066 29.929 -1.863 25421 2299 1 13 . 1 1 28 28 LYS H H 28 8.096 8.096 7.968 0.128 25421 2300 1 13 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.436 -0.039 25421 2301 1 13 . 1 1 29 29 TRP C C 29 177.187 177.187 174.922 2.265 25421 2302 1 13 . 1 1 29 29 TRP CA C 29 55.704 55.704 53.060 2.644 25421 2303 1 13 . 1 1 29 29 TRP CB C 29 31.279 31.279 29.801 1.478 25421 2304 1 13 . 1 1 30 30 CYS N N 30 119.238 119.238 119.200 0.038 25421 2305 1 13 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.180 -0.284 25421 2306 1 13 . 1 1 30 30 CYS C C 30 174.364 174.364 174.717 -0.353 25421 2307 1 13 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.181 -2.595 25421 2308 1 13 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.575 10.631 25421 2309 1 13 . 1 1 30 30 CYS H H 30 8.447 8.447 8.210 0.237 25421 2310 1 13 . 1 1 31 31 LYS N N 31 124.793 124.793 120.874 3.919 25421 2311 1 13 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.792 0.249 25421 2312 1 13 . 1 1 31 31 LYS C C 31 175.662 175.662 174.819 0.843 25421 2313 1 13 . 1 1 31 31 LYS CA C 31 55.176 55.176 53.969 1.207 25421 2314 1 13 . 1 1 31 31 LYS CB C 31 35.875 35.875 35.983 -0.108 25421 2315 1 13 . 1 1 31 31 LYS H H 31 9.191 9.191 8.803 0.388 25421 2316 1 13 . 1 1 32 32 VAL N N 32 121.483 121.483 122.765 -1.282 25421 2317 1 13 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.942 -0.121 25421 2318 1 13 . 1 1 32 32 VAL C C 32 175.973 175.973 174.781 1.192 25421 2319 1 13 . 1 1 32 32 VAL CA C 32 64.073 64.073 59.669 4.404 25421 2320 1 13 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.316 -0.948 25421 2321 1 13 . 1 1 32 32 VAL H H 32 8.424 8.424 8.550 -0.126 25421 2322 1 13 . 1 1 33 33 LEU N N 33 128.865 128.865 129.486 -0.621 25421 2323 1 13 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.335 -0.028 25421 2324 1 13 . 1 1 33 33 LEU C C 33 175.217 175.217 176.880 -1.663 25421 2325 1 13 . 1 1 33 33 LEU CA C 33 55.315 55.315 54.723 0.592 25421 2326 1 13 . 1 1 33 33 LEU CB C 33 42.589 42.589 41.088 1.501 25421 2327 1 13 . 1 1 33 33 LEU H H 33 8.045 8.045 8.177 -0.132 25421 2328 1 14 . 1 1 2 2 GLU N N 2 120.667 120.667 120.188 0.479 25421 2329 1 14 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.813 -0.387 25421 2330 1 14 . 1 1 2 2 GLU C C 2 175.960 175.960 175.870 0.090 25421 2331 1 14 . 1 1 2 2 GLU CA C 2 56.073 56.073 56.051 0.022 25421 2332 1 14 . 1 1 2 2 GLU CB C 2 30.439 30.439 31.035 -0.596 25421 2333 1 14 . 1 1 2 2 GLU H H 2 8.716 8.716 8.638 0.078 25421 2334 1 14 . 1 1 3 3 CYS N N 3 119.340 119.340 118.629 0.711 25421 2335 1 14 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.711 0.111 25421 2336 1 14 . 1 1 3 3 CYS C C 3 173.426 173.426 174.716 -1.290 25421 2337 1 14 . 1 1 3 3 CYS CA C 3 54.700 54.700 56.860 -2.160 25421 2338 1 14 . 1 1 3 3 CYS CB C 3 42.616 42.616 29.393 13.223 25421 2339 1 14 . 1 1 3 3 CYS H H 3 8.457 8.457 8.466 -0.009 25421 2340 1 14 . 1 1 4 4 LYS N N 4 121.064 121.064 123.033 -1.969 25421 2341 1 14 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.257 0.069 25421 2342 1 14 . 1 1 4 4 LYS C C 4 174.620 174.620 176.879 -2.259 25421 2343 1 14 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.866 -1.263 25421 2344 1 14 . 1 1 4 4 LYS CB C 4 34.310 34.310 33.016 1.294 25421 2345 1 14 . 1 1 4 4 LYS H H 4 8.763 8.763 8.400 0.363 25421 2346 1 14 . 1 1 5 5 GLY N N 5 109.502 109.502 107.362 2.140 25421 2347 1 14 . 1 1 5 5 GLY C C 5 171.833 171.833 173.793 -1.960 25421 2348 1 14 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.418 -2.776 25421 2349 1 14 . 1 1 5 5 GLY H H 5 7.983 7.983 8.210 -0.227 25421 2350 1 14 . 1 1 6 6 PHE N N 6 117.331 117.331 118.760 -1.429 25421 2351 1 14 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.980 -1.354 25421 2352 1 14 . 1 1 6 6 PHE C C 6 176.435 176.435 175.294 1.141 25421 2353 1 14 . 1 1 6 6 PHE CA C 6 57.913 57.913 58.202 -0.289 25421 2354 1 14 . 1 1 6 6 PHE CB C 6 39.083 39.083 41.271 -2.188 25421 2355 1 14 . 1 1 6 6 PHE H H 6 7.581 7.581 8.165 -0.584 25421 2356 1 14 . 1 1 7 7 TRP N N 7 123.869 123.869 120.362 3.507 25421 2357 1 14 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.336 -0.748 25421 2358 1 14 . 1 1 7 7 TRP C C 7 175.204 175.204 175.600 -0.396 25421 2359 1 14 . 1 1 7 7 TRP CA C 7 58.520 58.520 57.129 1.391 25421 2360 1 14 . 1 1 7 7 TRP CB C 7 28.287 28.287 30.051 -1.764 25421 2361 1 14 . 1 1 7 7 TRP H H 7 8.997 8.997 8.030 0.967 25421 2362 1 14 . 1 1 8 8 LYS N N 8 118.614 118.614 119.130 -0.516 25421 2363 1 14 . 1 1 8 8 LYS HA H 8 4.510 4.510 4.224 0.286 25421 2364 1 14 . 1 1 8 8 LYS C C 8 176.595 176.595 175.596 0.999 25421 2365 1 14 . 1 1 8 8 LYS CA C 8 53.984 53.984 56.617 -2.634 25421 2366 1 14 . 1 1 8 8 LYS CB C 8 32.796 32.796 32.725 0.071 25421 2367 1 14 . 1 1 8 8 LYS H H 8 7.719 7.719 7.698 0.021 25421 2368 1 14 . 1 1 9 9 SER N N 9 116.747 116.747 113.646 3.101 25421 2369 1 14 . 1 1 9 9 SER HA H 9 4.808 4.808 4.882 -0.074 25421 2370 1 14 . 1 1 9 9 SER C C 9 172.976 172.976 174.064 -1.088 25421 2371 1 14 . 1 1 9 9 SER CA C 9 59.175 59.175 56.821 2.354 25421 2372 1 14 . 1 1 9 9 SER CB C 9 63.827 63.827 64.058 -0.231 25421 2373 1 14 . 1 1 9 9 SER H H 9 8.430 8.430 8.305 0.125 25421 2374 1 14 . 1 1 10 10 CYS N N 10 118.508 118.508 119.991 -1.483 25421 2375 1 14 . 1 1 10 10 CYS HA H 10 4.978 4.978 4.917 0.061 25421 2376 1 14 . 1 1 10 10 CYS C C 10 172.556 172.556 172.768 -0.212 25421 2377 1 14 . 1 1 10 10 CYS CA C 10 53.278 53.278 56.761 -3.483 25421 2378 1 14 . 1 1 10 10 CYS CB C 10 46.760 46.760 31.378 15.382 25421 2379 1 14 . 1 1 10 10 CYS H H 10 8.142 8.142 8.289 -0.147 25421 2380 1 14 . 1 1 11 11 VAL N N 11 122.963 122.963 114.718 8.245 25421 2381 1 14 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.656 -0.321 25421 2382 1 14 . 1 1 11 11 VAL CA C 11 59.324 59.324 57.655 1.669 25421 2383 1 14 . 1 1 11 11 VAL CB C 11 32.923 32.923 32.531 0.392 25421 2384 1 14 . 1 1 11 11 VAL H H 11 8.835 8.835 8.414 0.421 25421 2385 1 14 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.345 -0.402 25421 2386 1 14 . 1 1 12 12 PRO C C 12 176.806 176.806 177.763 -0.957 25421 2387 1 14 . 1 1 12 12 PRO CA C 12 64.329 64.329 63.615 0.714 25421 2388 1 14 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.581 0.208 25421 2389 1 14 . 1 1 13 13 GLY N N 13 111.847 111.847 114.111 -2.264 25421 2390 1 14 . 1 1 13 13 GLY C C 13 174.856 174.856 175.313 -0.457 25421 2391 1 14 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.322 -0.026 25421 2392 1 14 . 1 1 13 13 GLY H H 13 8.826 8.826 8.677 0.149 25421 2393 1 14 . 1 1 14 14 LYS N N 14 117.957 117.957 121.451 -3.494 25421 2394 1 14 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.310 0.173 25421 2395 1 14 . 1 1 14 14 LYS C C 14 175.718 175.718 176.979 -1.261 25421 2396 1 14 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.412 -0.999 25421 2397 1 14 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.123 -0.270 25421 2398 1 14 . 1 1 14 14 LYS H H 14 7.590 7.590 7.663 -0.073 25421 2399 1 14 . 1 1 15 15 ASN N N 15 118.663 118.663 115.211 3.452 25421 2400 1 14 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.481 0.196 25421 2401 1 14 . 1 1 15 15 ASN C C 15 175.372 175.372 175.075 0.297 25421 2402 1 14 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.977 -0.355 25421 2403 1 14 . 1 1 15 15 ASN CB C 15 37.371 37.371 36.948 0.423 25421 2404 1 14 . 1 1 15 15 ASN H H 15 8.473 8.473 8.038 0.435 25421 2405 1 14 . 1 1 16 16 GLU N N 16 115.492 115.492 114.969 0.523 25421 2406 1 14 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.114 0.190 25421 2407 1 14 . 1 1 16 16 GLU C C 16 178.083 178.083 177.396 0.687 25421 2408 1 14 . 1 1 16 16 GLU CA C 16 57.422 57.422 58.089 -0.667 25421 2409 1 14 . 1 1 16 16 GLU CB C 16 32.526 32.526 30.095 2.431 25421 2410 1 14 . 1 1 16 16 GLU H H 16 8.848 8.848 8.630 0.218 25421 2411 1 14 . 1 1 17 17 CYS N N 17 117.244 117.244 117.202 0.042 25421 2412 1 14 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.178 0.998 25421 2413 1 14 . 1 1 17 17 CYS C C 17 175.716 175.716 176.040 -0.324 25421 2414 1 14 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.187 -4.657 25421 2415 1 14 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.304 12.770 25421 2416 1 14 . 1 1 17 17 CYS H H 17 8.278 8.278 8.182 0.096 25421 2417 1 14 . 1 1 18 18 CYS N N 18 121.456 121.456 121.107 0.349 25421 2418 1 14 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.476 0.090 25421 2419 1 14 . 1 1 18 18 CYS C C 18 172.720 172.720 175.780 -3.060 25421 2420 1 14 . 1 1 18 18 CYS CA C 18 54.336 54.336 58.897 -4.561 25421 2421 1 14 . 1 1 18 18 CYS CB C 18 41.143 41.143 28.132 13.011 25421 2422 1 14 . 1 1 18 18 CYS H H 18 9.308 9.308 8.561 0.747 25421 2423 1 14 . 1 1 19 19 SER N N 19 114.196 114.196 118.429 -4.233 25421 2424 1 14 . 1 1 19 19 SER HA H 19 4.273 4.273 4.272 0.001 25421 2425 1 14 . 1 1 19 19 SER C C 19 175.114 175.114 175.676 -0.562 25421 2426 1 14 . 1 1 19 19 SER CA C 19 60.335 60.335 60.011 0.324 25421 2427 1 14 . 1 1 19 19 SER CB C 19 63.047 63.047 63.436 -0.389 25421 2428 1 14 . 1 1 19 19 SER H H 19 8.461 8.461 8.788 -0.327 25421 2429 1 14 . 1 1 20 20 GLY N N 20 113.736 113.736 113.860 -0.124 25421 2430 1 14 . 1 1 20 20 GLY C C 20 173.468 173.468 174.080 -0.612 25421 2431 1 14 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.810 -0.228 25421 2432 1 14 . 1 1 20 20 GLY H H 20 8.836 8.836 8.650 0.186 25421 2433 1 14 . 1 1 21 21 TYR N N 21 118.820 118.820 121.309 -2.489 25421 2434 1 14 . 1 1 21 21 TYR HA H 21 5.269 5.269 4.883 0.386 25421 2435 1 14 . 1 1 21 21 TYR C C 21 174.011 174.011 174.669 -0.658 25421 2436 1 14 . 1 1 21 21 TYR CA C 21 56.055 56.055 57.367 -1.312 25421 2437 1 14 . 1 1 21 21 TYR CB C 21 41.659 41.659 39.519 2.140 25421 2438 1 14 . 1 1 21 21 TYR H H 21 8.276 8.276 7.996 0.280 25421 2439 1 14 . 1 1 22 22 ALA N N 22 120.868 120.868 124.392 -3.524 25421 2440 1 14 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.699 -0.046 25421 2441 1 14 . 1 1 22 22 ALA C C 22 176.439 176.439 175.097 1.342 25421 2442 1 14 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.361 0.610 25421 2443 1 14 . 1 1 22 22 ALA CB C 22 23.106 23.106 21.648 1.458 25421 2444 1 14 . 1 1 22 22 ALA H H 22 9.357 9.357 8.336 1.021 25421 2445 1 14 . 1 1 23 23 CYS N N 23 122.679 122.679 118.104 4.575 25421 2446 1 14 . 1 1 23 23 CYS HA H 23 4.565 4.565 5.145 -0.580 25421 2447 1 14 . 1 1 23 23 CYS C C 23 174.530 174.530 174.906 -0.376 25421 2448 1 14 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.197 -2.493 25421 2449 1 14 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.468 12.372 25421 2450 1 14 . 1 1 23 23 CYS H H 23 8.917 8.917 8.426 0.491 25421 2451 1 14 . 1 1 24 24 SER N N 24 123.845 123.845 120.555 3.290 25421 2452 1 14 . 1 1 24 24 SER HA H 24 4.455 4.455 4.948 -0.493 25421 2453 1 14 . 1 1 24 24 SER C C 24 175.964 175.964 174.959 1.005 25421 2454 1 14 . 1 1 24 24 SER CA C 24 57.449 57.449 57.042 0.407 25421 2455 1 14 . 1 1 24 24 SER CB C 24 63.616 63.616 64.293 -0.677 25421 2456 1 14 . 1 1 24 24 SER H H 24 8.057 8.057 8.673 -0.616 25421 2457 1 14 . 1 1 25 25 SER N N 25 124.964 124.964 123.134 1.830 25421 2458 1 14 . 1 1 25 25 SER HA H 25 3.977 3.977 4.297 -0.320 25421 2459 1 14 . 1 1 25 25 SER C C 25 174.925 174.925 175.575 -0.650 25421 2460 1 14 . 1 1 25 25 SER CA C 25 61.411 61.411 60.013 1.398 25421 2461 1 14 . 1 1 25 25 SER CB C 25 62.650 62.650 63.237 -0.587 25421 2462 1 14 . 1 1 25 25 SER H H 25 9.029 9.029 9.086 -0.057 25421 2463 1 14 . 1 1 26 26 ARG N N 26 119.221 119.221 121.297 -2.076 25421 2464 1 14 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.109 0.016 25421 2465 1 14 . 1 1 26 26 ARG C C 26 177.031 177.031 176.728 0.303 25421 2466 1 14 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.404 -0.469 25421 2467 1 14 . 1 1 26 26 ARG CB C 26 31.120 31.120 30.418 0.702 25421 2468 1 14 . 1 1 26 26 ARG H H 26 7.880 7.880 7.962 -0.082 25421 2469 1 14 . 1 1 27 27 ASP N N 27 115.090 115.090 116.598 -1.508 25421 2470 1 14 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.328 -0.055 25421 2471 1 14 . 1 1 27 27 ASP CA C 27 54.557 54.557 53.240 1.317 25421 2472 1 14 . 1 1 27 27 ASP CB C 27 40.955 40.955 40.926 0.029 25421 2473 1 14 . 1 1 27 27 ASP H H 27 7.396 7.396 7.445 -0.049 25421 2474 1 14 . 1 1 28 28 LYS N N 28 114.145 114.145 117.039 -2.894 25421 2475 1 14 . 1 1 28 28 LYS HA H 28 3.842 3.842 3.965 -0.123 25421 2476 1 14 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.375 0.111 25421 2477 1 14 . 1 1 28 28 LYS CB C 28 28.066 28.066 29.880 -1.813 25421 2478 1 14 . 1 1 28 28 LYS H H 28 8.096 8.096 7.911 0.185 25421 2479 1 14 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.263 0.134 25421 2480 1 14 . 1 1 29 29 TRP C C 29 177.187 177.187 174.900 2.287 25421 2481 1 14 . 1 1 29 29 TRP CA C 29 55.704 55.704 52.987 2.717 25421 2482 1 14 . 1 1 29 29 TRP CB C 29 31.279 31.279 29.618 1.661 25421 2483 1 14 . 1 1 30 30 CYS N N 30 119.238 119.238 119.129 0.109 25421 2484 1 14 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.184 -0.288 25421 2485 1 14 . 1 1 30 30 CYS C C 30 174.364 174.364 174.630 -0.266 25421 2486 1 14 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.247 -2.661 25421 2487 1 14 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.624 10.582 25421 2488 1 14 . 1 1 30 30 CYS H H 30 8.447 8.447 8.127 0.320 25421 2489 1 14 . 1 1 31 31 LYS N N 31 124.793 124.793 120.082 4.711 25421 2490 1 14 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.943 0.098 25421 2491 1 14 . 1 1 31 31 LYS C C 31 175.662 175.662 174.687 0.975 25421 2492 1 14 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.460 0.716 25421 2493 1 14 . 1 1 31 31 LYS CB C 31 35.875 35.875 36.120 -0.245 25421 2494 1 14 . 1 1 31 31 LYS H H 31 9.191 9.191 8.786 0.405 25421 2495 1 14 . 1 1 32 32 VAL N N 32 121.483 121.483 121.907 -0.424 25421 2496 1 14 . 1 1 32 32 VAL HA H 32 3.821 3.821 4.010 -0.189 25421 2497 1 14 . 1 1 32 32 VAL C C 32 175.973 175.973 174.413 1.560 25421 2498 1 14 . 1 1 32 32 VAL CA C 32 64.073 64.073 59.746 4.327 25421 2499 1 14 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.953 -1.585 25421 2500 1 14 . 1 1 32 32 VAL H H 32 8.424 8.424 8.578 -0.154 25421 2501 1 14 . 1 1 33 33 LEU N N 33 128.865 128.865 129.672 -0.807 25421 2502 1 14 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.272 0.035 25421 2503 1 14 . 1 1 33 33 LEU C C 33 175.217 175.217 176.801 -1.584 25421 2504 1 14 . 1 1 33 33 LEU CA C 33 55.315 55.315 55.614 -0.299 25421 2505 1 14 . 1 1 33 33 LEU CB C 33 42.589 42.589 41.662 0.927 25421 2506 1 14 . 1 1 33 33 LEU H H 33 8.045 8.045 8.338 -0.293 25421 2507 1 15 . 1 1 2 2 GLU N N 2 120.667 120.667 123.377 -2.710 25421 2508 1 15 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.813 -0.387 25421 2509 1 15 . 1 1 2 2 GLU C C 2 175.960 175.960 175.983 -0.023 25421 2510 1 15 . 1 1 2 2 GLU CA C 2 56.073 56.073 56.043 0.030 25421 2511 1 15 . 1 1 2 2 GLU CB C 2 30.439 30.439 31.311 -0.872 25421 2512 1 15 . 1 1 2 2 GLU H H 2 8.716 8.716 8.536 0.180 25421 2513 1 15 . 1 1 3 3 CYS N N 3 119.340 119.340 120.605 -1.265 25421 2514 1 15 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.659 0.163 25421 2515 1 15 . 1 1 3 3 CYS C C 3 173.426 173.426 175.221 -1.795 25421 2516 1 15 . 1 1 3 3 CYS CA C 3 54.700 54.700 56.901 -2.201 25421 2517 1 15 . 1 1 3 3 CYS CB C 3 42.616 42.616 28.746 13.870 25421 2518 1 15 . 1 1 3 3 CYS H H 3 8.457 8.457 8.440 0.017 25421 2519 1 15 . 1 1 4 4 LYS N N 4 121.064 121.064 123.282 -2.218 25421 2520 1 15 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.194 0.132 25421 2521 1 15 . 1 1 4 4 LYS C C 4 174.620 174.620 177.281 -2.661 25421 2522 1 15 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.745 -1.142 25421 2523 1 15 . 1 1 4 4 LYS CB C 4 34.310 34.310 32.977 1.333 25421 2524 1 15 . 1 1 4 4 LYS H H 4 8.763 8.763 8.335 0.428 25421 2525 1 15 . 1 1 5 5 GLY N N 5 109.502 109.502 107.319 2.183 25421 2526 1 15 . 1 1 5 5 GLY C C 5 171.833 171.833 173.833 -2.000 25421 2527 1 15 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.431 -2.789 25421 2528 1 15 . 1 1 5 5 GLY H H 5 7.983 7.983 8.217 -0.234 25421 2529 1 15 . 1 1 6 6 PHE N N 6 117.331 117.331 118.948 -1.617 25421 2530 1 15 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.930 -1.304 25421 2531 1 15 . 1 1 6 6 PHE C C 6 176.435 176.435 175.099 1.336 25421 2532 1 15 . 1 1 6 6 PHE CA C 6 57.913 57.913 57.874 0.039 25421 2533 1 15 . 1 1 6 6 PHE CB C 6 39.083 39.083 41.132 -2.049 25421 2534 1 15 . 1 1 6 6 PHE H H 6 7.581 7.581 8.291 -0.710 25421 2535 1 15 . 1 1 7 7 TRP N N 7 123.869 123.869 121.130 2.739 25421 2536 1 15 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.377 -0.789 25421 2537 1 15 . 1 1 7 7 TRP C C 7 175.204 175.204 175.961 -0.757 25421 2538 1 15 . 1 1 7 7 TRP CA C 7 58.520 58.520 57.043 1.477 25421 2539 1 15 . 1 1 7 7 TRP CB C 7 28.287 28.287 29.842 -1.555 25421 2540 1 15 . 1 1 7 7 TRP H H 7 8.997 8.997 8.078 0.919 25421 2541 1 15 . 1 1 8 8 LYS N N 8 118.614 118.614 120.709 -2.095 25421 2542 1 15 . 1 1 8 8 LYS HA H 8 4.510 4.510 4.370 0.140 25421 2543 1 15 . 1 1 8 8 LYS C C 8 176.595 176.595 176.169 0.426 25421 2544 1 15 . 1 1 8 8 LYS CA C 8 53.984 53.984 56.294 -2.310 25421 2545 1 15 . 1 1 8 8 LYS CB C 8 32.796 32.796 32.817 -0.021 25421 2546 1 15 . 1 1 8 8 LYS H H 8 7.719 7.719 7.717 0.002 25421 2547 1 15 . 1 1 9 9 SER N N 9 116.747 116.747 114.786 1.961 25421 2548 1 15 . 1 1 9 9 SER HA H 9 4.808 4.808 4.893 -0.085 25421 2549 1 15 . 1 1 9 9 SER C C 9 172.976 172.976 173.674 -0.698 25421 2550 1 15 . 1 1 9 9 SER CA C 9 59.175 59.175 56.755 2.420 25421 2551 1 15 . 1 1 9 9 SER CB C 9 63.827 63.827 63.639 0.188 25421 2552 1 15 . 1 1 9 9 SER H H 9 8.430 8.430 8.230 0.200 25421 2553 1 15 . 1 1 10 10 CYS N N 10 118.508 118.508 120.335 -1.827 25421 2554 1 15 . 1 1 10 10 CYS HA H 10 4.978 4.978 4.877 0.101 25421 2555 1 15 . 1 1 10 10 CYS C C 10 172.556 172.556 173.153 -0.597 25421 2556 1 15 . 1 1 10 10 CYS CA C 10 53.278 53.278 56.243 -2.965 25421 2557 1 15 . 1 1 10 10 CYS CB C 10 46.760 46.760 31.231 15.529 25421 2558 1 15 . 1 1 10 10 CYS H H 10 8.142 8.142 7.966 0.176 25421 2559 1 15 . 1 1 11 11 VAL N N 11 122.963 122.963 114.429 8.534 25421 2560 1 15 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.601 -0.266 25421 2561 1 15 . 1 1 11 11 VAL CA C 11 59.324 59.324 58.316 1.008 25421 2562 1 15 . 1 1 11 11 VAL CB C 11 32.923 32.923 33.160 -0.236 25421 2563 1 15 . 1 1 11 11 VAL H H 11 8.835 8.835 8.283 0.552 25421 2564 1 15 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.374 -0.431 25421 2565 1 15 . 1 1 12 12 PRO C C 12 176.806 176.806 177.601 -0.795 25421 2566 1 15 . 1 1 12 12 PRO CA C 12 64.329 64.329 63.794 0.535 25421 2567 1 15 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.000 0.789 25421 2568 1 15 . 1 1 13 13 GLY N N 13 111.847 111.847 114.319 -2.472 25421 2569 1 15 . 1 1 13 13 GLY C C 13 174.856 174.856 175.181 -0.325 25421 2570 1 15 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.167 0.129 25421 2571 1 15 . 1 1 13 13 GLY H H 13 8.826 8.826 8.605 0.221 25421 2572 1 15 . 1 1 14 14 LYS N N 14 117.957 117.957 120.729 -2.772 25421 2573 1 15 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.317 0.166 25421 2574 1 15 . 1 1 14 14 LYS C C 14 175.718 175.718 176.693 -0.975 25421 2575 1 15 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.844 -1.431 25421 2576 1 15 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.450 -0.597 25421 2577 1 15 . 1 1 14 14 LYS H H 14 7.590 7.590 7.625 -0.035 25421 2578 1 15 . 1 1 15 15 ASN N N 15 118.663 118.663 115.735 2.928 25421 2579 1 15 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.461 0.216 25421 2580 1 15 . 1 1 15 15 ASN C C 15 175.372 175.372 175.093 0.279 25421 2581 1 15 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.978 -0.356 25421 2582 1 15 . 1 1 15 15 ASN CB C 15 37.371 37.371 36.559 0.812 25421 2583 1 15 . 1 1 15 15 ASN H H 15 8.473 8.473 8.105 0.368 25421 2584 1 15 . 1 1 16 16 GLU N N 16 115.492 115.492 115.712 -0.220 25421 2585 1 15 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.160 0.144 25421 2586 1 15 . 1 1 16 16 GLU C C 16 178.083 178.083 177.521 0.562 25421 2587 1 15 . 1 1 16 16 GLU CA C 16 57.422 57.422 58.093 -0.671 25421 2588 1 15 . 1 1 16 16 GLU CB C 16 32.526 32.526 30.104 2.422 25421 2589 1 15 . 1 1 16 16 GLU H H 16 8.848 8.848 8.641 0.207 25421 2590 1 15 . 1 1 17 17 CYS N N 17 117.244 117.244 117.198 0.046 25421 2591 1 15 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.189 0.987 25421 2592 1 15 . 1 1 17 17 CYS C C 17 175.716 175.716 176.048 -0.332 25421 2593 1 15 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.309 -4.779 25421 2594 1 15 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.366 12.708 25421 2595 1 15 . 1 1 17 17 CYS H H 17 8.278 8.278 8.168 0.110 25421 2596 1 15 . 1 1 18 18 CYS N N 18 121.456 121.456 121.443 0.013 25421 2597 1 15 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.518 0.048 25421 2598 1 15 . 1 1 18 18 CYS C C 18 172.720 172.720 175.833 -3.113 25421 2599 1 15 . 1 1 18 18 CYS CA C 18 54.336 54.336 58.745 -4.409 25421 2600 1 15 . 1 1 18 18 CYS CB C 18 41.143 41.143 28.153 12.990 25421 2601 1 15 . 1 1 18 18 CYS H H 18 9.308 9.308 8.690 0.618 25421 2602 1 15 . 1 1 19 19 SER N N 19 114.196 114.196 118.372 -4.176 25421 2603 1 15 . 1 1 19 19 SER HA H 19 4.273 4.273 4.266 0.006 25421 2604 1 15 . 1 1 19 19 SER C C 19 175.114 175.114 175.705 -0.591 25421 2605 1 15 . 1 1 19 19 SER CA C 19 60.335 60.335 60.030 0.305 25421 2606 1 15 . 1 1 19 19 SER CB C 19 63.047 63.047 63.520 -0.473 25421 2607 1 15 . 1 1 19 19 SER H H 19 8.461 8.461 8.781 -0.320 25421 2608 1 15 . 1 1 20 20 GLY N N 20 113.736 113.736 113.658 0.078 25421 2609 1 15 . 1 1 20 20 GLY C C 20 173.468 173.468 174.069 -0.601 25421 2610 1 15 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.857 -0.275 25421 2611 1 15 . 1 1 20 20 GLY H H 20 8.836 8.836 8.628 0.208 25421 2612 1 15 . 1 1 21 21 TYR N N 21 118.820 118.820 121.210 -2.390 25421 2613 1 15 . 1 1 21 21 TYR HA H 21 5.269 5.269 4.905 0.364 25421 2614 1 15 . 1 1 21 21 TYR C C 21 174.011 174.011 174.643 -0.632 25421 2615 1 15 . 1 1 21 21 TYR CA C 21 56.055 56.055 57.245 -1.190 25421 2616 1 15 . 1 1 21 21 TYR CB C 21 41.659 41.659 39.616 2.043 25421 2617 1 15 . 1 1 21 21 TYR H H 21 8.276 8.276 7.984 0.292 25421 2618 1 15 . 1 1 22 22 ALA N N 22 120.868 120.868 124.708 -3.840 25421 2619 1 15 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.753 -0.100 25421 2620 1 15 . 1 1 22 22 ALA C C 22 176.439 176.439 175.279 1.160 25421 2621 1 15 . 1 1 22 22 ALA CA C 22 50.971 50.971 49.996 0.975 25421 2622 1 15 . 1 1 22 22 ALA CB C 22 23.106 23.106 22.200 0.907 25421 2623 1 15 . 1 1 22 22 ALA H H 22 9.357 9.357 8.237 1.120 25421 2624 1 15 . 1 1 23 23 CYS N N 23 122.679 122.679 118.227 4.452 25421 2625 1 15 . 1 1 23 23 CYS HA H 23 4.565 4.565 5.214 -0.649 25421 2626 1 15 . 1 1 23 23 CYS C C 23 174.530 174.530 174.907 -0.377 25421 2627 1 15 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.196 -2.492 25421 2628 1 15 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.484 12.356 25421 2629 1 15 . 1 1 23 23 CYS H H 23 8.917 8.917 8.733 0.184 25421 2630 1 15 . 1 1 24 24 SER N N 24 123.845 123.845 120.554 3.291 25421 2631 1 15 . 1 1 24 24 SER HA H 24 4.455 4.455 4.951 -0.496 25421 2632 1 15 . 1 1 24 24 SER C C 24 175.964 175.964 174.931 1.033 25421 2633 1 15 . 1 1 24 24 SER CA C 24 57.449 57.449 57.026 0.423 25421 2634 1 15 . 1 1 24 24 SER CB C 24 63.616 63.616 64.308 -0.692 25421 2635 1 15 . 1 1 24 24 SER H H 24 8.057 8.057 8.646 -0.589 25421 2636 1 15 . 1 1 25 25 SER N N 25 124.964 124.964 123.167 1.797 25421 2637 1 15 . 1 1 25 25 SER HA H 25 3.977 3.977 4.297 -0.320 25421 2638 1 15 . 1 1 25 25 SER C C 25 174.925 174.925 175.565 -0.640 25421 2639 1 15 . 1 1 25 25 SER CA C 25 61.411 61.411 60.043 1.368 25421 2640 1 15 . 1 1 25 25 SER CB C 25 62.650 62.650 63.235 -0.585 25421 2641 1 15 . 1 1 25 25 SER H H 25 9.029 9.029 9.086 -0.057 25421 2642 1 15 . 1 1 26 26 ARG N N 26 119.221 119.221 121.108 -1.887 25421 2643 1 15 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.106 0.019 25421 2644 1 15 . 1 1 26 26 ARG C C 26 177.031 177.031 176.777 0.254 25421 2645 1 15 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.344 -0.409 25421 2646 1 15 . 1 1 26 26 ARG CB C 26 31.120 31.120 30.434 0.686 25421 2647 1 15 . 1 1 26 26 ARG H H 26 7.880 7.880 7.941 -0.061 25421 2648 1 15 . 1 1 27 27 ASP N N 27 115.090 115.090 116.465 -1.375 25421 2649 1 15 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.337 -0.064 25421 2650 1 15 . 1 1 27 27 ASP CA C 27 54.557 54.557 53.093 1.464 25421 2651 1 15 . 1 1 27 27 ASP CB C 27 40.955 40.955 40.880 0.075 25421 2652 1 15 . 1 1 27 27 ASP H H 27 7.396 7.396 7.455 -0.059 25421 2653 1 15 . 1 1 28 28 LYS N N 28 114.145 114.145 116.955 -2.810 25421 2654 1 15 . 1 1 28 28 LYS HA H 28 3.842 3.842 3.965 -0.123 25421 2655 1 15 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.406 0.080 25421 2656 1 15 . 1 1 28 28 LYS CB C 28 28.066 28.066 29.881 -1.815 25421 2657 1 15 . 1 1 28 28 LYS H H 28 8.096 8.096 7.923 0.173 25421 2658 1 15 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.356 0.041 25421 2659 1 15 . 1 1 29 29 TRP C C 29 177.187 177.187 174.951 2.236 25421 2660 1 15 . 1 1 29 29 TRP CA C 29 55.704 55.704 52.976 2.728 25421 2661 1 15 . 1 1 29 29 TRP CB C 29 31.279 31.279 29.674 1.605 25421 2662 1 15 . 1 1 30 30 CYS N N 30 119.238 119.238 119.144 0.094 25421 2663 1 15 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.196 -0.300 25421 2664 1 15 . 1 1 30 30 CYS C C 30 174.364 174.364 174.685 -0.321 25421 2665 1 15 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.246 -2.660 25421 2666 1 15 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.684 10.522 25421 2667 1 15 . 1 1 30 30 CYS H H 30 8.447 8.447 8.169 0.278 25421 2668 1 15 . 1 1 31 31 LYS N N 31 124.793 124.793 120.341 4.452 25421 2669 1 15 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.933 0.108 25421 2670 1 15 . 1 1 31 31 LYS C C 31 175.662 175.662 174.712 0.950 25421 2671 1 15 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.417 0.759 25421 2672 1 15 . 1 1 31 31 LYS CB C 31 35.875 35.875 35.972 -0.097 25421 2673 1 15 . 1 1 31 31 LYS H H 31 9.191 9.191 8.786 0.405 25421 2674 1 15 . 1 1 32 32 VAL N N 32 121.483 121.483 122.541 -1.058 25421 2675 1 15 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.967 -0.146 25421 2676 1 15 . 1 1 32 32 VAL C C 32 175.973 175.973 174.557 1.416 25421 2677 1 15 . 1 1 32 32 VAL CA C 32 64.073 64.073 59.393 4.680 25421 2678 1 15 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.337 -0.969 25421 2679 1 15 . 1 1 32 32 VAL H H 32 8.424 8.424 8.531 -0.107 25421 2680 1 15 . 1 1 33 33 LEU N N 33 128.865 128.865 128.956 -0.091 25421 2681 1 15 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.289 0.018 25421 2682 1 15 . 1 1 33 33 LEU C C 33 175.217 175.217 177.281 -2.064 25421 2683 1 15 . 1 1 33 33 LEU CA C 33 55.315 55.315 54.908 0.407 25421 2684 1 15 . 1 1 33 33 LEU CB C 33 42.589 42.589 42.203 0.386 25421 2685 1 15 . 1 1 33 33 LEU H H 33 8.045 8.045 8.400 -0.355 25421 2686 1 16 . 1 1 2 2 GLU N N 2 120.667 120.667 121.165 -0.498 25421 2687 1 16 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.597 -0.171 25421 2688 1 16 . 1 1 2 2 GLU C C 2 175.960 175.960 176.291 -0.331 25421 2689 1 16 . 1 1 2 2 GLU CA C 2 56.073 56.073 55.389 0.684 25421 2690 1 16 . 1 1 2 2 GLU CB C 2 30.439 30.439 30.447 -0.008 25421 2691 1 16 . 1 1 2 2 GLU H H 2 8.716 8.716 8.520 0.196 25421 2692 1 16 . 1 1 3 3 CYS N N 3 119.340 119.340 120.176 -0.836 25421 2693 1 16 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.478 0.344 25421 2694 1 16 . 1 1 3 3 CYS C C 3 173.426 173.426 175.494 -2.068 25421 2695 1 16 . 1 1 3 3 CYS CA C 3 54.700 54.700 57.627 -2.927 25421 2696 1 16 . 1 1 3 3 CYS CB C 3 42.616 42.616 28.410 14.207 25421 2697 1 16 . 1 1 3 3 CYS H H 3 8.457 8.457 8.408 0.049 25421 2698 1 16 . 1 1 4 4 LYS N N 4 121.064 121.064 124.213 -3.149 25421 2699 1 16 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.203 0.123 25421 2700 1 16 . 1 1 4 4 LYS C C 4 174.620 174.620 177.556 -2.936 25421 2701 1 16 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.813 -1.210 25421 2702 1 16 . 1 1 4 4 LYS CB C 4 34.310 34.310 33.050 1.260 25421 2703 1 16 . 1 1 4 4 LYS H H 4 8.763 8.763 8.278 0.485 25421 2704 1 16 . 1 1 5 5 GLY N N 5 109.502 109.502 107.468 2.034 25421 2705 1 16 . 1 1 5 5 GLY C C 5 171.833 171.833 173.896 -2.063 25421 2706 1 16 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.433 -2.791 25421 2707 1 16 . 1 1 5 5 GLY H H 5 7.983 7.983 8.240 -0.257 25421 2708 1 16 . 1 1 6 6 PHE N N 6 117.331 117.331 118.861 -1.530 25421 2709 1 16 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.940 -1.314 25421 2710 1 16 . 1 1 6 6 PHE C C 6 176.435 176.435 175.015 1.420 25421 2711 1 16 . 1 1 6 6 PHE CA C 6 57.913 57.913 57.848 0.065 25421 2712 1 16 . 1 1 6 6 PHE CB C 6 39.083 39.083 41.166 -2.083 25421 2713 1 16 . 1 1 6 6 PHE H H 6 7.581 7.581 8.266 -0.685 25421 2714 1 16 . 1 1 7 7 TRP N N 7 123.869 123.869 121.118 2.751 25421 2715 1 16 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.400 -0.812 25421 2716 1 16 . 1 1 7 7 TRP C C 7 175.204 175.204 175.960 -0.756 25421 2717 1 16 . 1 1 7 7 TRP CA C 7 58.520 58.520 56.973 1.547 25421 2718 1 16 . 1 1 7 7 TRP CB C 7 28.287 28.287 29.863 -1.576 25421 2719 1 16 . 1 1 7 7 TRP H H 7 8.997 8.997 8.060 0.937 25421 2720 1 16 . 1 1 8 8 LYS N N 8 118.614 118.614 120.568 -1.954 25421 2721 1 16 . 1 1 8 8 LYS HA H 8 4.510 4.510 4.344 0.166 25421 2722 1 16 . 1 1 8 8 LYS C C 8 176.595 176.595 175.988 0.607 25421 2723 1 16 . 1 1 8 8 LYS CA C 8 53.984 53.984 56.279 -2.295 25421 2724 1 16 . 1 1 8 8 LYS CB C 8 32.796 32.796 32.910 -0.114 25421 2725 1 16 . 1 1 8 8 LYS H H 8 7.719 7.719 7.710 0.009 25421 2726 1 16 . 1 1 9 9 SER N N 9 116.747 116.747 113.979 2.768 25421 2727 1 16 . 1 1 9 9 SER HA H 9 4.808 4.808 4.843 -0.035 25421 2728 1 16 . 1 1 9 9 SER C C 9 172.976 172.976 173.641 -0.665 25421 2729 1 16 . 1 1 9 9 SER CA C 9 59.175 59.175 56.937 2.238 25421 2730 1 16 . 1 1 9 9 SER CB C 9 63.827 63.827 63.454 0.373 25421 2731 1 16 . 1 1 9 9 SER H H 9 8.430 8.430 8.208 0.222 25421 2732 1 16 . 1 1 10 10 CYS N N 10 118.508 118.508 121.390 -2.882 25421 2733 1 16 . 1 1 10 10 CYS HA H 10 4.978 4.978 5.076 -0.098 25421 2734 1 16 . 1 1 10 10 CYS C C 10 172.556 172.556 173.080 -0.524 25421 2735 1 16 . 1 1 10 10 CYS CA C 10 53.278 53.278 56.720 -3.442 25421 2736 1 16 . 1 1 10 10 CYS CB C 10 46.760 46.760 30.917 15.843 25421 2737 1 16 . 1 1 10 10 CYS H H 10 8.142 8.142 7.810 0.332 25421 2738 1 16 . 1 1 11 11 VAL N N 11 122.963 122.963 114.775 8.188 25421 2739 1 16 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.559 -0.224 25421 2740 1 16 . 1 1 11 11 VAL CA C 11 59.324 59.324 58.123 1.201 25421 2741 1 16 . 1 1 11 11 VAL CB C 11 32.923 32.923 33.107 -0.184 25421 2742 1 16 . 1 1 11 11 VAL H H 11 8.835 8.835 7.953 0.882 25421 2743 1 16 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.473 -0.530 25421 2744 1 16 . 1 1 12 12 PRO C C 12 176.806 176.806 177.894 -1.088 25421 2745 1 16 . 1 1 12 12 PRO CA C 12 64.329 64.329 63.897 0.432 25421 2746 1 16 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.732 0.057 25421 2747 1 16 . 1 1 13 13 GLY N N 13 111.847 111.847 111.402 0.445 25421 2748 1 16 . 1 1 13 13 GLY C C 13 174.856 174.856 174.979 -0.123 25421 2749 1 16 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.169 0.127 25421 2750 1 16 . 1 1 13 13 GLY H H 13 8.826 8.826 8.626 0.200 25421 2751 1 16 . 1 1 14 14 LYS N N 14 117.957 117.957 120.648 -2.691 25421 2752 1 16 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.227 0.256 25421 2753 1 16 . 1 1 14 14 LYS C C 14 175.718 175.718 176.855 -1.137 25421 2754 1 16 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.545 -1.132 25421 2755 1 16 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.440 -0.587 25421 2756 1 16 . 1 1 14 14 LYS H H 14 7.590 7.590 7.488 0.102 25421 2757 1 16 . 1 1 15 15 ASN N N 15 118.663 118.663 116.918 1.745 25421 2758 1 16 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.474 0.203 25421 2759 1 16 . 1 1 15 15 ASN C C 15 175.372 175.372 175.368 0.004 25421 2760 1 16 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.746 -0.124 25421 2761 1 16 . 1 1 15 15 ASN CB C 15 37.371 37.371 37.419 -0.048 25421 2762 1 16 . 1 1 15 15 ASN H H 15 8.473 8.473 8.044 0.429 25421 2763 1 16 . 1 1 16 16 GLU N N 16 115.492 115.492 115.243 0.249 25421 2764 1 16 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.202 0.102 25421 2765 1 16 . 1 1 16 16 GLU C C 16 178.083 178.083 177.394 0.689 25421 2766 1 16 . 1 1 16 16 GLU CA C 16 57.422 57.422 57.801 -0.379 25421 2767 1 16 . 1 1 16 16 GLU CB C 16 32.526 32.526 29.996 2.530 25421 2768 1 16 . 1 1 16 16 GLU H H 16 8.848 8.848 8.718 0.130 25421 2769 1 16 . 1 1 17 17 CYS N N 17 117.244 117.244 117.629 -0.385 25421 2770 1 16 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.170 1.006 25421 2771 1 16 . 1 1 17 17 CYS C C 17 175.716 175.716 175.984 -0.268 25421 2772 1 16 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.513 -4.983 25421 2773 1 16 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.263 12.811 25421 2774 1 16 . 1 1 17 17 CYS H H 17 8.278 8.278 8.229 0.049 25421 2775 1 16 . 1 1 18 18 CYS N N 18 121.456 121.456 122.707 -1.251 25421 2776 1 16 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.419 0.147 25421 2777 1 16 . 1 1 18 18 CYS C C 18 172.720 172.720 175.978 -3.258 25421 2778 1 16 . 1 1 18 18 CYS CA C 18 54.336 54.336 59.022 -4.686 25421 2779 1 16 . 1 1 18 18 CYS CB C 18 41.143 41.143 27.570 13.573 25421 2780 1 16 . 1 1 18 18 CYS H H 18 9.308 9.308 8.590 0.718 25421 2781 1 16 . 1 1 19 19 SER N N 19 114.196 114.196 117.355 -3.159 25421 2782 1 16 . 1 1 19 19 SER HA H 19 4.273 4.273 4.287 -0.014 25421 2783 1 16 . 1 1 19 19 SER C C 19 175.114 175.114 175.770 -0.656 25421 2784 1 16 . 1 1 19 19 SER CA C 19 60.335 60.335 60.341 -0.006 25421 2785 1 16 . 1 1 19 19 SER CB C 19 63.047 63.047 63.459 -0.412 25421 2786 1 16 . 1 1 19 19 SER H H 19 8.461 8.461 8.595 -0.134 25421 2787 1 16 . 1 1 20 20 GLY N N 20 113.736 113.736 113.663 0.073 25421 2788 1 16 . 1 1 20 20 GLY C C 20 173.468 173.468 174.089 -0.621 25421 2789 1 16 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.817 -0.235 25421 2790 1 16 . 1 1 20 20 GLY H H 20 8.836 8.836 8.663 0.173 25421 2791 1 16 . 1 1 21 21 TYR N N 21 118.820 118.820 121.358 -2.538 25421 2792 1 16 . 1 1 21 21 TYR HA H 21 5.269 5.269 4.886 0.383 25421 2793 1 16 . 1 1 21 21 TYR C C 21 174.011 174.011 174.638 -0.627 25421 2794 1 16 . 1 1 21 21 TYR CA C 21 56.055 56.055 57.334 -1.279 25421 2795 1 16 . 1 1 21 21 TYR CB C 21 41.659 41.659 39.522 2.137 25421 2796 1 16 . 1 1 21 21 TYR H H 21 8.276 8.276 8.017 0.259 25421 2797 1 16 . 1 1 22 22 ALA N N 22 120.868 120.868 123.902 -3.034 25421 2798 1 16 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.738 -0.085 25421 2799 1 16 . 1 1 22 22 ALA C C 22 176.439 176.439 175.511 0.928 25421 2800 1 16 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.378 0.593 25421 2801 1 16 . 1 1 22 22 ALA CB C 22 23.106 23.106 21.634 1.472 25421 2802 1 16 . 1 1 22 22 ALA H H 22 9.357 9.357 8.279 1.078 25421 2803 1 16 . 1 1 23 23 CYS N N 23 122.679 122.679 118.117 4.562 25421 2804 1 16 . 1 1 23 23 CYS HA H 23 4.565 4.565 5.133 -0.568 25421 2805 1 16 . 1 1 23 23 CYS C C 23 174.530 174.530 174.904 -0.374 25421 2806 1 16 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.175 -2.471 25421 2807 1 16 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.468 12.372 25421 2808 1 16 . 1 1 23 23 CYS H H 23 8.917 8.917 8.429 0.488 25421 2809 1 16 . 1 1 24 24 SER N N 24 123.845 123.845 121.032 2.813 25421 2810 1 16 . 1 1 24 24 SER HA H 24 4.455 4.455 4.843 -0.388 25421 2811 1 16 . 1 1 24 24 SER C C 24 175.964 175.964 174.466 1.498 25421 2812 1 16 . 1 1 24 24 SER CA C 24 57.449 57.449 57.435 0.014 25421 2813 1 16 . 1 1 24 24 SER CB C 24 63.616 63.616 64.455 -0.839 25421 2814 1 16 . 1 1 24 24 SER H H 24 8.057 8.057 8.648 -0.591 25421 2815 1 16 . 1 1 25 25 SER N N 25 124.964 124.964 123.486 1.478 25421 2816 1 16 . 1 1 25 25 SER HA H 25 3.977 3.977 4.319 -0.342 25421 2817 1 16 . 1 1 25 25 SER C C 25 174.925 174.925 175.838 -0.913 25421 2818 1 16 . 1 1 25 25 SER CA C 25 61.411 61.411 59.966 1.445 25421 2819 1 16 . 1 1 25 25 SER CB C 25 62.650 62.650 62.971 -0.321 25421 2820 1 16 . 1 1 25 25 SER H H 25 9.029 9.029 9.076 -0.047 25421 2821 1 16 . 1 1 26 26 ARG N N 26 119.221 119.221 120.298 -1.077 25421 2822 1 16 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.136 -0.011 25421 2823 1 16 . 1 1 26 26 ARG C C 26 177.031 177.031 176.844 0.187 25421 2824 1 16 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.179 -0.244 25421 2825 1 16 . 1 1 26 26 ARG CB C 26 31.120 31.120 30.525 0.595 25421 2826 1 16 . 1 1 26 26 ARG H H 26 7.880 7.880 7.969 -0.089 25421 2827 1 16 . 1 1 27 27 ASP N N 27 115.090 115.090 116.199 -1.109 25421 2828 1 16 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.362 -0.089 25421 2829 1 16 . 1 1 27 27 ASP CA C 27 54.557 54.557 52.988 1.569 25421 2830 1 16 . 1 1 27 27 ASP CB C 27 40.955 40.955 40.536 0.419 25421 2831 1 16 . 1 1 27 27 ASP H H 27 7.396 7.396 7.462 -0.066 25421 2832 1 16 . 1 1 28 28 LYS N N 28 114.145 114.145 116.778 -2.633 25421 2833 1 16 . 1 1 28 28 LYS HA H 28 3.842 3.842 3.990 -0.148 25421 2834 1 16 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.385 0.101 25421 2835 1 16 . 1 1 28 28 LYS CB C 28 28.066 28.066 29.656 -1.590 25421 2836 1 16 . 1 1 28 28 LYS H H 28 8.096 8.096 7.918 0.178 25421 2837 1 16 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.313 0.084 25421 2838 1 16 . 1 1 29 29 TRP C C 29 177.187 177.187 174.918 2.269 25421 2839 1 16 . 1 1 29 29 TRP CA C 29 55.704 55.704 52.962 2.742 25421 2840 1 16 . 1 1 29 29 TRP CB C 29 31.279 31.279 29.622 1.657 25421 2841 1 16 . 1 1 30 30 CYS N N 30 119.238 119.238 119.138 0.100 25421 2842 1 16 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.178 -0.282 25421 2843 1 16 . 1 1 30 30 CYS C C 30 174.364 174.364 174.698 -0.334 25421 2844 1 16 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.311 -2.725 25421 2845 1 16 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.591 10.615 25421 2846 1 16 . 1 1 30 30 CYS H H 30 8.447 8.447 8.169 0.278 25421 2847 1 16 . 1 1 31 31 LYS N N 31 124.793 124.793 120.270 4.523 25421 2848 1 16 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.924 0.117 25421 2849 1 16 . 1 1 31 31 LYS C C 31 175.662 175.662 174.854 0.808 25421 2850 1 16 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.541 0.635 25421 2851 1 16 . 1 1 31 31 LYS CB C 31 35.875 35.875 36.003 -0.128 25421 2852 1 16 . 1 1 31 31 LYS H H 31 9.191 9.191 8.758 0.433 25421 2853 1 16 . 1 1 32 32 VAL N N 32 121.483 121.483 121.500 -0.017 25421 2854 1 16 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.916 -0.095 25421 2855 1 16 . 1 1 32 32 VAL C C 32 175.973 175.973 174.568 1.405 25421 2856 1 16 . 1 1 32 32 VAL CA C 32 64.073 64.073 60.550 3.523 25421 2857 1 16 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.691 -1.323 25421 2858 1 16 . 1 1 32 32 VAL H H 32 8.424 8.424 8.538 -0.114 25421 2859 1 16 . 1 1 33 33 LEU N N 33 128.865 128.865 128.521 0.344 25421 2860 1 16 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.347 -0.040 25421 2861 1 16 . 1 1 33 33 LEU C C 33 175.217 175.217 177.515 -2.298 25421 2862 1 16 . 1 1 33 33 LEU CA C 33 55.315 55.315 55.110 0.205 25421 2863 1 16 . 1 1 33 33 LEU CB C 33 42.589 42.589 41.958 0.631 25421 2864 1 16 . 1 1 33 33 LEU H H 33 8.045 8.045 8.221 -0.176 25421 2865 1 17 . 1 1 2 2 GLU N N 2 120.667 120.667 120.532 0.135 25421 2866 1 17 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.529 -0.103 25421 2867 1 17 . 1 1 2 2 GLU C C 2 175.960 175.960 176.187 -0.227 25421 2868 1 17 . 1 1 2 2 GLU CA C 2 56.073 56.073 55.981 0.092 25421 2869 1 17 . 1 1 2 2 GLU CB C 2 30.439 30.439 30.888 -0.449 25421 2870 1 17 . 1 1 2 2 GLU H H 2 8.716 8.716 8.289 0.427 25421 2871 1 17 . 1 1 3 3 CYS N N 3 119.340 119.340 118.281 1.059 25421 2872 1 17 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.589 0.233 25421 2873 1 17 . 1 1 3 3 CYS C C 3 173.426 173.426 175.315 -1.889 25421 2874 1 17 . 1 1 3 3 CYS CA C 3 54.700 54.700 56.591 -1.891 25421 2875 1 17 . 1 1 3 3 CYS CB C 3 42.616 42.616 28.984 13.632 25421 2876 1 17 . 1 1 3 3 CYS H H 3 8.457 8.457 8.510 -0.053 25421 2877 1 17 . 1 1 4 4 LYS N N 4 121.064 121.064 122.897 -1.833 25421 2878 1 17 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.222 0.104 25421 2879 1 17 . 1 1 4 4 LYS C C 4 174.620 174.620 177.303 -2.683 25421 2880 1 17 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.669 -1.066 25421 2881 1 17 . 1 1 4 4 LYS CB C 4 34.310 34.310 33.072 1.238 25421 2882 1 17 . 1 1 4 4 LYS H H 4 8.763 8.763 8.117 0.646 25421 2883 1 17 . 1 1 5 5 GLY N N 5 109.502 109.502 107.316 2.186 25421 2884 1 17 . 1 1 5 5 GLY C C 5 171.833 171.833 173.899 -2.066 25421 2885 1 17 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.424 -2.782 25421 2886 1 17 . 1 1 5 5 GLY H H 5 7.983 7.983 8.194 -0.211 25421 2887 1 17 . 1 1 6 6 PHE N N 6 117.331 117.331 119.060 -1.729 25421 2888 1 17 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.923 -1.297 25421 2889 1 17 . 1 1 6 6 PHE C C 6 176.435 176.435 175.102 1.333 25421 2890 1 17 . 1 1 6 6 PHE CA C 6 57.913 57.913 57.871 0.042 25421 2891 1 17 . 1 1 6 6 PHE CB C 6 39.083 39.083 41.069 -1.986 25421 2892 1 17 . 1 1 6 6 PHE H H 6 7.581 7.581 8.300 -0.719 25421 2893 1 17 . 1 1 7 7 TRP N N 7 123.869 123.869 121.080 2.789 25421 2894 1 17 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.336 -0.748 25421 2895 1 17 . 1 1 7 7 TRP C C 7 175.204 175.204 175.950 -0.746 25421 2896 1 17 . 1 1 7 7 TRP CA C 7 58.520 58.520 57.082 1.438 25421 2897 1 17 . 1 1 7 7 TRP CB C 7 28.287 28.287 29.791 -1.504 25421 2898 1 17 . 1 1 7 7 TRP H H 7 8.997 8.997 8.068 0.929 25421 2899 1 17 . 1 1 8 8 LYS N N 8 118.614 118.614 120.424 -1.810 25421 2900 1 17 . 1 1 8 8 LYS HA H 8 4.510 4.510 4.368 0.142 25421 2901 1 17 . 1 1 8 8 LYS C C 8 176.595 176.595 175.944 0.651 25421 2902 1 17 . 1 1 8 8 LYS CA C 8 53.984 53.984 56.215 -2.231 25421 2903 1 17 . 1 1 8 8 LYS CB C 8 32.796 32.796 32.940 -0.144 25421 2904 1 17 . 1 1 8 8 LYS H H 8 7.719 7.719 7.703 0.016 25421 2905 1 17 . 1 1 9 9 SER N N 9 116.747 116.747 114.120 2.627 25421 2906 1 17 . 1 1 9 9 SER HA H 9 4.808 4.808 4.877 -0.069 25421 2907 1 17 . 1 1 9 9 SER C C 9 172.976 172.976 173.660 -0.684 25421 2908 1 17 . 1 1 9 9 SER CA C 9 59.175 59.175 56.846 2.329 25421 2909 1 17 . 1 1 9 9 SER CB C 9 63.827 63.827 63.747 0.080 25421 2910 1 17 . 1 1 9 9 SER H H 9 8.430 8.430 8.228 0.202 25421 2911 1 17 . 1 1 10 10 CYS N N 10 118.508 118.508 120.871 -2.363 25421 2912 1 17 . 1 1 10 10 CYS HA H 10 4.978 4.978 5.045 -0.067 25421 2913 1 17 . 1 1 10 10 CYS C C 10 172.556 172.556 172.994 -0.438 25421 2914 1 17 . 1 1 10 10 CYS CA C 10 53.278 53.278 56.633 -3.355 25421 2915 1 17 . 1 1 10 10 CYS CB C 10 46.760 46.760 30.921 15.839 25421 2916 1 17 . 1 1 10 10 CYS H H 10 8.142 8.142 8.056 0.086 25421 2917 1 17 . 1 1 11 11 VAL N N 11 122.963 122.963 114.946 8.017 25421 2918 1 17 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.566 -0.231 25421 2919 1 17 . 1 1 11 11 VAL CA C 11 59.324 59.324 58.562 0.763 25421 2920 1 17 . 1 1 11 11 VAL CB C 11 32.923 32.923 33.388 -0.465 25421 2921 1 17 . 1 1 11 11 VAL H H 11 8.835 8.835 8.071 0.764 25421 2922 1 17 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.438 -0.495 25421 2923 1 17 . 1 1 12 12 PRO C C 12 176.806 176.806 177.625 -0.819 25421 2924 1 17 . 1 1 12 12 PRO CA C 12 64.329 64.329 64.124 0.205 25421 2925 1 17 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.249 0.540 25421 2926 1 17 . 1 1 13 13 GLY N N 13 111.847 111.847 112.971 -1.124 25421 2927 1 17 . 1 1 13 13 GLY C C 13 174.856 174.856 175.058 -0.202 25421 2928 1 17 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.048 0.248 25421 2929 1 17 . 1 1 13 13 GLY H H 13 8.826 8.826 8.593 0.233 25421 2930 1 17 . 1 1 14 14 LYS N N 14 117.957 117.957 120.792 -2.835 25421 2931 1 17 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.233 0.250 25421 2932 1 17 . 1 1 14 14 LYS C C 14 175.718 175.718 176.877 -1.159 25421 2933 1 17 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.638 -1.225 25421 2934 1 17 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.395 -0.542 25421 2935 1 17 . 1 1 14 14 LYS H H 14 7.590 7.590 7.513 0.077 25421 2936 1 17 . 1 1 15 15 ASN N N 15 118.663 118.663 116.548 2.115 25421 2937 1 17 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.486 0.191 25421 2938 1 17 . 1 1 15 15 ASN C C 15 175.372 175.372 175.261 0.111 25421 2939 1 17 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.724 -0.102 25421 2940 1 17 . 1 1 15 15 ASN CB C 15 37.371 37.371 37.311 0.060 25421 2941 1 17 . 1 1 15 15 ASN H H 15 8.473 8.473 8.056 0.417 25421 2942 1 17 . 1 1 16 16 GLU N N 16 115.492 115.492 114.592 0.900 25421 2943 1 17 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.165 0.139 25421 2944 1 17 . 1 1 16 16 GLU C C 16 178.083 178.083 177.408 0.675 25421 2945 1 17 . 1 1 16 16 GLU CA C 16 57.422 57.422 57.703 -0.281 25421 2946 1 17 . 1 1 16 16 GLU CB C 16 32.526 32.526 29.688 2.838 25421 2947 1 17 . 1 1 16 16 GLU H H 16 8.848 8.848 8.712 0.136 25421 2948 1 17 . 1 1 17 17 CYS N N 17 117.244 117.244 117.182 0.062 25421 2949 1 17 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.174 1.002 25421 2950 1 17 . 1 1 17 17 CYS C C 17 175.716 175.716 176.080 -0.364 25421 2951 1 17 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.625 -5.095 25421 2952 1 17 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.388 12.686 25421 2953 1 17 . 1 1 17 17 CYS H H 17 8.278 8.278 8.188 0.090 25421 2954 1 17 . 1 1 18 18 CYS N N 18 121.456 121.456 120.659 0.797 25421 2955 1 17 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.501 0.065 25421 2956 1 17 . 1 1 18 18 CYS C C 18 172.720 172.720 175.399 -2.679 25421 2957 1 17 . 1 1 18 18 CYS CA C 18 54.336 54.336 58.761 -4.425 25421 2958 1 17 . 1 1 18 18 CYS CB C 18 41.143 41.143 28.643 12.500 25421 2959 1 17 . 1 1 18 18 CYS H H 18 9.308 9.308 8.610 0.698 25421 2960 1 17 . 1 1 19 19 SER N N 19 114.196 114.196 117.249 -3.053 25421 2961 1 17 . 1 1 19 19 SER HA H 19 4.273 4.273 4.299 -0.026 25421 2962 1 17 . 1 1 19 19 SER C C 19 175.114 175.114 175.752 -0.638 25421 2963 1 17 . 1 1 19 19 SER CA C 19 60.335 60.335 60.034 0.301 25421 2964 1 17 . 1 1 19 19 SER CB C 19 63.047 63.047 63.212 -0.165 25421 2965 1 17 . 1 1 19 19 SER H H 19 8.461 8.461 8.792 -0.331 25421 2966 1 17 . 1 1 20 20 GLY N N 20 113.736 113.736 113.765 -0.029 25421 2967 1 17 . 1 1 20 20 GLY C C 20 173.468 173.468 173.170 0.298 25421 2968 1 17 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.943 -0.361 25421 2969 1 17 . 1 1 20 20 GLY H H 20 8.836 8.836 8.636 0.200 25421 2970 1 17 . 1 1 21 21 TYR N N 21 118.820 118.820 119.123 -0.303 25421 2971 1 17 . 1 1 21 21 TYR HA H 21 5.269 5.269 5.081 0.188 25421 2972 1 17 . 1 1 21 21 TYR C C 21 174.011 174.011 174.213 -0.202 25421 2973 1 17 . 1 1 21 21 TYR CA C 21 56.055 56.055 56.198 -0.143 25421 2974 1 17 . 1 1 21 21 TYR CB C 21 41.659 41.659 41.300 0.359 25421 2975 1 17 . 1 1 21 21 TYR H H 21 8.276 8.276 7.559 0.717 25421 2976 1 17 . 1 1 22 22 ALA N N 22 120.868 120.868 123.527 -2.659 25421 2977 1 17 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.746 -0.093 25421 2978 1 17 . 1 1 22 22 ALA C C 22 176.439 176.439 175.265 1.174 25421 2979 1 17 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.541 0.430 25421 2980 1 17 . 1 1 22 22 ALA CB C 22 23.106 23.106 21.645 1.461 25421 2981 1 17 . 1 1 22 22 ALA H H 22 9.357 9.357 8.378 0.979 25421 2982 1 17 . 1 1 23 23 CYS N N 23 122.679 122.679 118.075 4.604 25421 2983 1 17 . 1 1 23 23 CYS HA H 23 4.565 4.565 5.107 -0.542 25421 2984 1 17 . 1 1 23 23 CYS C C 23 174.530 174.530 174.828 -0.298 25421 2985 1 17 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.216 -2.512 25421 2986 1 17 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.389 12.451 25421 2987 1 17 . 1 1 23 23 CYS H H 23 8.917 8.917 8.414 0.503 25421 2988 1 17 . 1 1 24 24 SER N N 24 123.845 123.845 120.641 3.204 25421 2989 1 17 . 1 1 24 24 SER HA H 24 4.455 4.455 4.878 -0.423 25421 2990 1 17 . 1 1 24 24 SER C C 24 175.964 175.964 174.585 1.379 25421 2991 1 17 . 1 1 24 24 SER CA C 24 57.449 57.449 57.139 0.310 25421 2992 1 17 . 1 1 24 24 SER CB C 24 63.616 63.616 64.507 -0.891 25421 2993 1 17 . 1 1 24 24 SER H H 24 8.057 8.057 8.727 -0.670 25421 2994 1 17 . 1 1 25 25 SER N N 25 124.964 124.964 123.531 1.433 25421 2995 1 17 . 1 1 25 25 SER HA H 25 3.977 3.977 4.191 -0.214 25421 2996 1 17 . 1 1 25 25 SER C C 25 174.925 174.925 175.597 -0.672 25421 2997 1 17 . 1 1 25 25 SER CA C 25 61.411 61.411 59.740 1.671 25421 2998 1 17 . 1 1 25 25 SER CB C 25 62.650 62.650 63.276 -0.625 25421 2999 1 17 . 1 1 25 25 SER H H 25 9.029 9.029 8.961 0.068 25421 3000 1 17 . 1 1 26 26 ARG N N 26 119.221 119.221 120.032 -0.811 25421 3001 1 17 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.030 0.095 25421 3002 1 17 . 1 1 26 26 ARG C C 26 177.031 177.031 176.825 0.206 25421 3003 1 17 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.203 -0.268 25421 3004 1 17 . 1 1 26 26 ARG CB C 26 31.120 31.120 30.200 0.920 25421 3005 1 17 . 1 1 26 26 ARG H H 26 7.880 7.880 8.196 -0.316 25421 3006 1 17 . 1 1 27 27 ASP N N 27 115.090 115.090 114.790 0.300 25421 3007 1 17 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.328 -0.055 25421 3008 1 17 . 1 1 27 27 ASP CA C 27 54.557 54.557 53.014 1.543 25421 3009 1 17 . 1 1 27 27 ASP CB C 27 40.955 40.955 40.787 0.168 25421 3010 1 17 . 1 1 27 27 ASP H H 27 7.396 7.396 7.527 -0.131 25421 3011 1 17 . 1 1 28 28 LYS N N 28 114.145 114.145 116.987 -2.842 25421 3012 1 17 . 1 1 28 28 LYS HA H 28 3.842 3.842 3.961 -0.119 25421 3013 1 17 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.356 0.130 25421 3014 1 17 . 1 1 28 28 LYS CB C 28 28.066 28.066 30.002 -1.935 25421 3015 1 17 . 1 1 28 28 LYS H H 28 8.096 8.096 7.875 0.221 25421 3016 1 17 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.245 0.151 25421 3017 1 17 . 1 1 29 29 TRP C C 29 177.187 177.187 174.876 2.311 25421 3018 1 17 . 1 1 29 29 TRP CA C 29 55.704 55.704 53.209 2.495 25421 3019 1 17 . 1 1 29 29 TRP CB C 29 31.279 31.279 29.910 1.369 25421 3020 1 17 . 1 1 30 30 CYS N N 30 119.238 119.238 118.990 0.248 25421 3021 1 17 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.177 -0.281 25421 3022 1 17 . 1 1 30 30 CYS C C 30 174.364 174.364 174.695 -0.331 25421 3023 1 17 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.243 -2.657 25421 3024 1 17 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.641 10.565 25421 3025 1 17 . 1 1 30 30 CYS H H 30 8.447 8.447 8.091 0.356 25421 3026 1 17 . 1 1 31 31 LYS N N 31 124.793 124.793 119.733 5.060 25421 3027 1 17 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.915 0.126 25421 3028 1 17 . 1 1 31 31 LYS C C 31 175.662 175.662 174.742 0.920 25421 3029 1 17 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.671 0.505 25421 3030 1 17 . 1 1 31 31 LYS CB C 31 35.875 35.875 36.022 -0.147 25421 3031 1 17 . 1 1 31 31 LYS H H 31 9.191 9.191 8.737 0.454 25421 3032 1 17 . 1 1 32 32 VAL N N 32 121.483 121.483 121.862 -0.379 25421 3033 1 17 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.917 -0.096 25421 3034 1 17 . 1 1 32 32 VAL C C 32 175.973 175.973 174.619 1.354 25421 3035 1 17 . 1 1 32 32 VAL CA C 32 64.073 64.073 60.162 3.911 25421 3036 1 17 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.972 -1.604 25421 3037 1 17 . 1 1 32 32 VAL H H 32 8.424 8.424 8.511 -0.087 25421 3038 1 17 . 1 1 33 33 LEU N N 33 128.865 128.865 129.340 -0.475 25421 3039 1 17 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.298 0.009 25421 3040 1 17 . 1 1 33 33 LEU C C 33 175.217 175.217 176.833 -1.616 25421 3041 1 17 . 1 1 33 33 LEU CA C 33 55.315 55.315 55.525 -0.210 25421 3042 1 17 . 1 1 33 33 LEU CB C 33 42.589 42.589 41.885 0.704 25421 3043 1 17 . 1 1 33 33 LEU H H 33 8.045 8.045 8.206 -0.161 25421 3044 1 18 . 1 1 2 2 GLU N N 2 120.667 120.667 119.394 1.273 25421 3045 1 18 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.733 -0.307 25421 3046 1 18 . 1 1 2 2 GLU C C 2 175.960 175.960 175.751 0.209 25421 3047 1 18 . 1 1 2 2 GLU CA C 2 56.073 56.073 55.846 0.228 25421 3048 1 18 . 1 1 2 2 GLU CB C 2 30.439 30.439 31.245 -0.806 25421 3049 1 18 . 1 1 2 2 GLU H H 2 8.716 8.716 8.565 0.151 25421 3050 1 18 . 1 1 3 3 CYS N N 3 119.340 119.340 118.539 0.801 25421 3051 1 18 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.747 0.075 25421 3052 1 18 . 1 1 3 3 CYS C C 3 173.426 173.426 175.197 -1.771 25421 3053 1 18 . 1 1 3 3 CYS CA C 3 54.700 54.700 56.906 -2.206 25421 3054 1 18 . 1 1 3 3 CYS CB C 3 42.616 42.616 29.079 13.537 25421 3055 1 18 . 1 1 3 3 CYS H H 3 8.457 8.457 8.510 -0.053 25421 3056 1 18 . 1 1 4 4 LYS N N 4 121.064 121.064 122.247 -1.183 25421 3057 1 18 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.138 0.188 25421 3058 1 18 . 1 1 4 4 LYS C C 4 174.620 174.620 177.118 -2.498 25421 3059 1 18 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.805 -1.202 25421 3060 1 18 . 1 1 4 4 LYS CB C 4 34.310 34.310 32.980 1.331 25421 3061 1 18 . 1 1 4 4 LYS H H 4 8.763 8.763 8.282 0.481 25421 3062 1 18 . 1 1 5 5 GLY N N 5 109.502 109.502 107.197 2.305 25421 3063 1 18 . 1 1 5 5 GLY C C 5 171.833 171.833 173.238 -1.405 25421 3064 1 18 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.077 -2.435 25421 3065 1 18 . 1 1 5 5 GLY H H 5 7.983 7.983 8.042 -0.059 25421 3066 1 18 . 1 1 6 6 PHE N N 6 117.331 117.331 118.835 -1.504 25421 3067 1 18 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.946 -1.320 25421 3068 1 18 . 1 1 6 6 PHE C C 6 176.435 176.435 175.136 1.299 25421 3069 1 18 . 1 1 6 6 PHE CA C 6 57.913 57.913 58.099 -0.186 25421 3070 1 18 . 1 1 6 6 PHE CB C 6 39.083 39.083 41.294 -2.211 25421 3071 1 18 . 1 1 6 6 PHE H H 6 7.581 7.581 8.142 -0.561 25421 3072 1 18 . 1 1 7 7 TRP N N 7 123.869 123.869 117.570 6.299 25421 3073 1 18 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.537 -0.949 25421 3074 1 18 . 1 1 7 7 TRP C C 7 175.204 175.204 175.536 -0.332 25421 3075 1 18 . 1 1 7 7 TRP CA C 7 58.520 58.520 56.105 2.415 25421 3076 1 18 . 1 1 7 7 TRP CB C 7 28.287 28.287 28.761 -0.474 25421 3077 1 18 . 1 1 7 7 TRP H H 7 8.997 8.997 7.970 1.027 25421 3078 1 18 . 1 1 8 8 LYS N N 8 118.614 118.614 121.491 -2.877 25421 3079 1 18 . 1 1 8 8 LYS HA H 8 4.510 4.510 3.727 0.783 25421 3080 1 18 . 1 1 8 8 LYS C C 8 176.595 176.595 175.999 0.596 25421 3081 1 18 . 1 1 8 8 LYS CA C 8 53.984 53.984 55.779 -1.795 25421 3082 1 18 . 1 1 8 8 LYS CB C 8 32.796 32.796 32.633 0.163 25421 3083 1 18 . 1 1 8 8 LYS H H 8 7.719 7.719 7.445 0.274 25421 3084 1 18 . 1 1 9 9 SER N N 9 116.747 116.747 112.221 4.526 25421 3085 1 18 . 1 1 9 9 SER HA H 9 4.808 4.808 4.883 -0.075 25421 3086 1 18 . 1 1 9 9 SER C C 9 172.976 172.976 174.145 -1.169 25421 3087 1 18 . 1 1 9 9 SER CA C 9 59.175 59.175 57.120 2.055 25421 3088 1 18 . 1 1 9 9 SER CB C 9 63.827 63.827 63.548 0.279 25421 3089 1 18 . 1 1 9 9 SER H H 9 8.430 8.430 8.098 0.332 25421 3090 1 18 . 1 1 10 10 CYS N N 10 118.508 118.508 121.231 -2.723 25421 3091 1 18 . 1 1 10 10 CYS HA H 10 4.978 4.978 4.896 0.082 25421 3092 1 18 . 1 1 10 10 CYS C C 10 172.556 172.556 173.569 -1.013 25421 3093 1 18 . 1 1 10 10 CYS CA C 10 53.278 53.278 57.043 -3.765 25421 3094 1 18 . 1 1 10 10 CYS CB C 10 46.760 46.760 31.286 15.474 25421 3095 1 18 . 1 1 10 10 CYS H H 10 8.142 8.142 8.006 0.136 25421 3096 1 18 . 1 1 11 11 VAL N N 11 122.963 122.963 116.183 6.780 25421 3097 1 18 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.546 -0.211 25421 3098 1 18 . 1 1 11 11 VAL CA C 11 59.324 59.324 58.378 0.946 25421 3099 1 18 . 1 1 11 11 VAL CB C 11 32.923 32.923 32.601 0.322 25421 3100 1 18 . 1 1 11 11 VAL H H 11 8.835 8.835 8.130 0.705 25421 3101 1 18 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.329 -0.386 25421 3102 1 18 . 1 1 12 12 PRO C C 12 176.806 176.806 177.767 -0.961 25421 3103 1 18 . 1 1 12 12 PRO CA C 12 64.329 64.329 63.749 0.580 25421 3104 1 18 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.226 0.563 25421 3105 1 18 . 1 1 13 13 GLY N N 13 111.847 111.847 113.918 -2.071 25421 3106 1 18 . 1 1 13 13 GLY C C 13 174.856 174.856 175.151 -0.295 25421 3107 1 18 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.301 -0.005 25421 3108 1 18 . 1 1 13 13 GLY H H 13 8.826 8.826 8.695 0.131 25421 3109 1 18 . 1 1 14 14 LYS N N 14 117.957 117.957 120.946 -2.989 25421 3110 1 18 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.325 0.158 25421 3111 1 18 . 1 1 14 14 LYS C C 14 175.718 175.718 176.737 -1.019 25421 3112 1 18 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.820 -1.407 25421 3113 1 18 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.571 -0.718 25421 3114 1 18 . 1 1 14 14 LYS H H 14 7.590 7.590 7.606 -0.016 25421 3115 1 18 . 1 1 15 15 ASN N N 15 118.663 118.663 115.741 2.922 25421 3116 1 18 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.475 0.202 25421 3117 1 18 . 1 1 15 15 ASN C C 15 175.372 175.372 175.165 0.207 25421 3118 1 18 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.858 -0.236 25421 3119 1 18 . 1 1 15 15 ASN CB C 15 37.371 37.371 36.531 0.840 25421 3120 1 18 . 1 1 15 15 ASN H H 15 8.473 8.473 8.039 0.434 25421 3121 1 18 . 1 1 16 16 GLU N N 16 115.492 115.492 115.752 -0.260 25421 3122 1 18 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.125 0.179 25421 3123 1 18 . 1 1 16 16 GLU C C 16 178.083 178.083 177.457 0.626 25421 3124 1 18 . 1 1 16 16 GLU CA C 16 57.422 57.422 58.256 -0.834 25421 3125 1 18 . 1 1 16 16 GLU CB C 16 32.526 32.526 30.113 2.413 25421 3126 1 18 . 1 1 16 16 GLU H H 16 8.848 8.848 8.687 0.161 25421 3127 1 18 . 1 1 17 17 CYS N N 17 117.244 117.244 117.278 -0.034 25421 3128 1 18 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.114 1.062 25421 3129 1 18 . 1 1 17 17 CYS C C 17 175.716 175.716 175.992 -0.276 25421 3130 1 18 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.254 -4.724 25421 3131 1 18 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.127 12.947 25421 3132 1 18 . 1 1 17 17 CYS H H 17 8.278 8.278 8.168 0.110 25421 3133 1 18 . 1 1 18 18 CYS N N 18 121.456 121.456 123.079 -1.623 25421 3134 1 18 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.372 0.194 25421 3135 1 18 . 1 1 18 18 CYS C C 18 172.720 172.720 175.978 -3.258 25421 3136 1 18 . 1 1 18 18 CYS CA C 18 54.336 54.336 59.122 -4.786 25421 3137 1 18 . 1 1 18 18 CYS CB C 18 41.143 41.143 27.487 13.656 25421 3138 1 18 . 1 1 18 18 CYS H H 18 9.308 9.308 8.519 0.789 25421 3139 1 18 . 1 1 19 19 SER N N 19 114.196 114.196 117.368 -3.172 25421 3140 1 18 . 1 1 19 19 SER HA H 19 4.273 4.273 4.273 -0.000 25421 3141 1 18 . 1 1 19 19 SER C C 19 175.114 175.114 175.794 -0.680 25421 3142 1 18 . 1 1 19 19 SER CA C 19 60.335 60.335 60.379 -0.044 25421 3143 1 18 . 1 1 19 19 SER CB C 19 63.047 63.047 63.472 -0.425 25421 3144 1 18 . 1 1 19 19 SER H H 19 8.461 8.461 8.586 -0.125 25421 3145 1 18 . 1 1 20 20 GLY N N 20 113.736 113.736 113.491 0.245 25421 3146 1 18 . 1 1 20 20 GLY C C 20 173.468 173.468 174.127 -0.659 25421 3147 1 18 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.829 -0.247 25421 3148 1 18 . 1 1 20 20 GLY H H 20 8.836 8.836 8.674 0.162 25421 3149 1 18 . 1 1 21 21 TYR N N 21 118.820 118.820 121.212 -2.392 25421 3150 1 18 . 1 1 21 21 TYR HA H 21 5.269 5.269 4.850 0.419 25421 3151 1 18 . 1 1 21 21 TYR C C 21 174.011 174.011 174.676 -0.665 25421 3152 1 18 . 1 1 21 21 TYR CA C 21 56.055 56.055 57.384 -1.329 25421 3153 1 18 . 1 1 21 21 TYR CB C 21 41.659 41.659 39.520 2.139 25421 3154 1 18 . 1 1 21 21 TYR H H 21 8.276 8.276 8.004 0.272 25421 3155 1 18 . 1 1 22 22 ALA N N 22 120.868 120.868 124.336 -3.468 25421 3156 1 18 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.641 0.012 25421 3157 1 18 . 1 1 22 22 ALA C C 22 176.439 176.439 175.026 1.413 25421 3158 1 18 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.789 0.182 25421 3159 1 18 . 1 1 22 22 ALA CB C 22 23.106 23.106 22.121 0.985 25421 3160 1 18 . 1 1 22 22 ALA H H 22 9.357 9.357 8.357 1.000 25421 3161 1 18 . 1 1 23 23 CYS N N 23 122.679 122.679 117.969 4.710 25421 3162 1 18 . 1 1 23 23 CYS HA H 23 4.565 4.565 5.153 -0.588 25421 3163 1 18 . 1 1 23 23 CYS C C 23 174.530 174.530 174.852 -0.322 25421 3164 1 18 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.329 -2.625 25421 3165 1 18 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.491 12.349 25421 3166 1 18 . 1 1 23 23 CYS H H 23 8.917 8.917 8.785 0.132 25421 3167 1 18 . 1 1 24 24 SER N N 24 123.845 123.845 120.656 3.189 25421 3168 1 18 . 1 1 24 24 SER HA H 24 4.455 4.455 4.974 -0.519 25421 3169 1 18 . 1 1 24 24 SER C C 24 175.964 175.964 174.908 1.056 25421 3170 1 18 . 1 1 24 24 SER CA C 24 57.449 57.449 57.047 0.402 25421 3171 1 18 . 1 1 24 24 SER CB C 24 63.616 63.616 64.504 -0.888 25421 3172 1 18 . 1 1 24 24 SER H H 24 8.057 8.057 8.650 -0.593 25421 3173 1 18 . 1 1 25 25 SER N N 25 124.964 124.964 123.739 1.225 25421 3174 1 18 . 1 1 25 25 SER HA H 25 3.977 3.977 4.234 -0.257 25421 3175 1 18 . 1 1 25 25 SER C C 25 174.925 174.925 175.495 -0.570 25421 3176 1 18 . 1 1 25 25 SER CA C 25 61.411 61.411 59.830 1.581 25421 3177 1 18 . 1 1 25 25 SER CB C 25 62.650 62.650 63.500 -0.850 25421 3178 1 18 . 1 1 25 25 SER H H 25 9.029 9.029 9.008 0.021 25421 3179 1 18 . 1 1 26 26 ARG N N 26 119.221 119.221 119.963 -0.742 25421 3180 1 18 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.056 0.069 25421 3181 1 18 . 1 1 26 26 ARG C C 26 177.031 177.031 176.544 0.487 25421 3182 1 18 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.416 -0.481 25421 3183 1 18 . 1 1 26 26 ARG CB C 26 31.120 31.120 30.177 0.943 25421 3184 1 18 . 1 1 26 26 ARG H H 26 7.880 7.880 8.200 -0.320 25421 3185 1 18 . 1 1 27 27 ASP N N 27 115.090 115.090 114.866 0.224 25421 3186 1 18 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.321 -0.048 25421 3187 1 18 . 1 1 27 27 ASP CA C 27 54.557 54.557 53.377 1.180 25421 3188 1 18 . 1 1 27 27 ASP CB C 27 40.955 40.955 41.056 -0.101 25421 3189 1 18 . 1 1 27 27 ASP H H 27 7.396 7.396 7.497 -0.101 25421 3190 1 18 . 1 1 28 28 LYS N N 28 114.145 114.145 117.065 -2.920 25421 3191 1 18 . 1 1 28 28 LYS HA H 28 3.842 3.842 3.920 -0.078 25421 3192 1 18 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.302 0.184 25421 3193 1 18 . 1 1 28 28 LYS CB C 28 28.066 28.066 30.060 -1.994 25421 3194 1 18 . 1 1 28 28 LYS H H 28 8.096 8.096 7.927 0.169 25421 3195 1 18 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.465 -0.068 25421 3196 1 18 . 1 1 29 29 TRP C C 29 177.187 177.187 175.063 2.124 25421 3197 1 18 . 1 1 29 29 TRP CA C 29 55.704 55.704 53.213 2.491 25421 3198 1 18 . 1 1 29 29 TRP CB C 29 31.279 31.279 30.052 1.228 25421 3199 1 18 . 1 1 30 30 CYS N N 30 119.238 119.238 119.067 0.171 25421 3200 1 18 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.209 -0.313 25421 3201 1 18 . 1 1 30 30 CYS C C 30 174.364 174.364 174.830 -0.466 25421 3202 1 18 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.177 -2.591 25421 3203 1 18 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.779 10.427 25421 3204 1 18 . 1 1 30 30 CYS H H 30 8.447 8.447 8.224 0.223 25421 3205 1 18 . 1 1 31 31 LYS N N 31 124.793 124.793 120.584 4.209 25421 3206 1 18 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.937 0.104 25421 3207 1 18 . 1 1 31 31 LYS C C 31 175.662 175.662 174.839 0.823 25421 3208 1 18 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.226 0.950 25421 3209 1 18 . 1 1 31 31 LYS CB C 31 35.875 35.875 36.029 -0.154 25421 3210 1 18 . 1 1 31 31 LYS H H 31 9.191 9.191 8.822 0.369 25421 3211 1 18 . 1 1 32 32 VAL N N 32 121.483 121.483 122.132 -0.649 25421 3212 1 18 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.873 -0.052 25421 3213 1 18 . 1 1 32 32 VAL C C 32 175.973 175.973 174.418 1.555 25421 3214 1 18 . 1 1 32 32 VAL CA C 32 64.073 64.073 59.809 4.264 25421 3215 1 18 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.629 -1.261 25421 3216 1 18 . 1 1 32 32 VAL H H 32 8.424 8.424 8.596 -0.172 25421 3217 1 18 . 1 1 33 33 LEU N N 33 128.865 128.865 129.616 -0.751 25421 3218 1 18 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.280 0.027 25421 3219 1 18 . 1 1 33 33 LEU C C 33 175.217 175.217 177.055 -1.838 25421 3220 1 18 . 1 1 33 33 LEU CA C 33 55.315 55.315 54.708 0.607 25421 3221 1 18 . 1 1 33 33 LEU CB C 33 42.589 42.589 40.833 1.756 25421 3222 1 18 . 1 1 33 33 LEU H H 33 8.045 8.045 8.390 -0.345 25421 3223 1 19 . 1 1 2 2 GLU N N 2 120.667 120.667 120.014 0.653 25421 3224 1 19 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.498 -0.072 25421 3225 1 19 . 1 1 2 2 GLU C C 2 175.960 175.960 175.978 -0.018 25421 3226 1 19 . 1 1 2 2 GLU CA C 2 56.073 56.073 56.367 -0.294 25421 3227 1 19 . 1 1 2 2 GLU CB C 2 30.439 30.439 30.573 -0.134 25421 3228 1 19 . 1 1 2 2 GLU H H 2 8.716 8.716 8.696 0.020 25421 3229 1 19 . 1 1 3 3 CYS N N 3 119.340 119.340 117.405 1.935 25421 3230 1 19 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.704 0.118 25421 3231 1 19 . 1 1 3 3 CYS C C 3 173.426 173.426 174.432 -1.006 25421 3232 1 19 . 1 1 3 3 CYS CA C 3 54.700 54.700 56.556 -1.856 25421 3233 1 19 . 1 1 3 3 CYS CB C 3 42.616 42.616 30.145 12.472 25421 3234 1 19 . 1 1 3 3 CYS H H 3 8.457 8.457 8.441 0.016 25421 3235 1 19 . 1 1 4 4 LYS N N 4 121.064 121.064 122.852 -1.788 25421 3236 1 19 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.211 0.115 25421 3237 1 19 . 1 1 4 4 LYS C C 4 174.620 174.620 177.075 -2.455 25421 3238 1 19 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.743 -1.140 25421 3239 1 19 . 1 1 4 4 LYS CB C 4 34.310 34.310 32.995 1.315 25421 3240 1 19 . 1 1 4 4 LYS H H 4 8.763 8.763 8.382 0.381 25421 3241 1 19 . 1 1 5 5 GLY N N 5 109.502 109.502 107.421 2.081 25421 3242 1 19 . 1 1 5 5 GLY C C 5 171.833 171.833 173.558 -1.725 25421 3243 1 19 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.217 -2.575 25421 3244 1 19 . 1 1 5 5 GLY H H 5 7.983 7.983 8.111 -0.128 25421 3245 1 19 . 1 1 6 6 PHE N N 6 117.331 117.331 119.366 -2.035 25421 3246 1 19 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.839 -1.213 25421 3247 1 19 . 1 1 6 6 PHE C C 6 176.435 176.435 174.759 1.676 25421 3248 1 19 . 1 1 6 6 PHE CA C 6 57.913 57.913 57.990 -0.077 25421 3249 1 19 . 1 1 6 6 PHE CB C 6 39.083 39.083 40.721 -1.638 25421 3250 1 19 . 1 1 6 6 PHE H H 6 7.581 7.581 7.620 -0.039 25421 3251 1 19 . 1 1 7 7 TRP N N 7 123.869 123.869 117.303 6.566 25421 3252 1 19 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.514 -0.926 25421 3253 1 19 . 1 1 7 7 TRP C C 7 175.204 175.204 175.676 -0.472 25421 3254 1 19 . 1 1 7 7 TRP CA C 7 58.520 58.520 55.243 3.277 25421 3255 1 19 . 1 1 7 7 TRP CB C 7 28.287 28.287 28.587 -0.300 25421 3256 1 19 . 1 1 7 7 TRP H H 7 8.997 8.997 7.143 1.854 25421 3257 1 19 . 1 1 8 8 LYS N N 8 118.614 118.614 121.635 -3.021 25421 3258 1 19 . 1 1 8 8 LYS HA H 8 4.510 4.510 4.446 0.065 25421 3259 1 19 . 1 1 8 8 LYS C C 8 176.595 176.595 176.183 0.412 25421 3260 1 19 . 1 1 8 8 LYS CA C 8 53.984 53.984 56.203 -2.219 25421 3261 1 19 . 1 1 8 8 LYS CB C 8 32.796 32.796 32.970 -0.174 25421 3262 1 19 . 1 1 8 8 LYS H H 8 7.719 7.719 7.429 0.290 25421 3263 1 19 . 1 1 9 9 SER N N 9 116.747 116.747 114.166 2.581 25421 3264 1 19 . 1 1 9 9 SER HA H 9 4.808 4.808 4.969 -0.161 25421 3265 1 19 . 1 1 9 9 SER C C 9 172.976 172.976 173.308 -0.332 25421 3266 1 19 . 1 1 9 9 SER CA C 9 59.175 59.175 57.373 1.802 25421 3267 1 19 . 1 1 9 9 SER CB C 9 63.827 63.827 63.961 -0.134 25421 3268 1 19 . 1 1 9 9 SER H H 9 8.430 8.430 8.352 0.078 25421 3269 1 19 . 1 1 10 10 CYS N N 10 118.508 118.508 121.117 -2.609 25421 3270 1 19 . 1 1 10 10 CYS HA H 10 4.978 4.978 5.012 -0.034 25421 3271 1 19 . 1 1 10 10 CYS C C 10 172.556 172.556 173.228 -0.672 25421 3272 1 19 . 1 1 10 10 CYS CA C 10 53.278 53.278 56.800 -3.522 25421 3273 1 19 . 1 1 10 10 CYS CB C 10 46.760 46.760 30.558 16.201 25421 3274 1 19 . 1 1 10 10 CYS H H 10 8.142 8.142 8.216 -0.074 25421 3275 1 19 . 1 1 11 11 VAL N N 11 122.963 122.963 116.479 6.484 25421 3276 1 19 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.564 -0.229 25421 3277 1 19 . 1 1 11 11 VAL CA C 11 59.324 59.324 58.611 0.713 25421 3278 1 19 . 1 1 11 11 VAL CB C 11 32.923 32.923 33.052 -0.129 25421 3279 1 19 . 1 1 11 11 VAL H H 11 8.835 8.835 8.189 0.646 25421 3280 1 19 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.341 -0.398 25421 3281 1 19 . 1 1 12 12 PRO C C 12 176.806 176.806 177.836 -1.030 25421 3282 1 19 . 1 1 12 12 PRO CA C 12 64.329 64.329 63.714 0.615 25421 3283 1 19 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.481 0.308 25421 3284 1 19 . 1 1 13 13 GLY N N 13 111.847 111.847 114.173 -2.326 25421 3285 1 19 . 1 1 13 13 GLY C C 13 174.856 174.856 175.104 -0.248 25421 3286 1 19 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.213 0.083 25421 3287 1 19 . 1 1 13 13 GLY H H 13 8.826 8.826 8.664 0.162 25421 3288 1 19 . 1 1 14 14 LYS N N 14 117.957 117.957 120.814 -2.857 25421 3289 1 19 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.232 0.251 25421 3290 1 19 . 1 1 14 14 LYS C C 14 175.718 175.718 176.978 -1.260 25421 3291 1 19 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.840 -1.427 25421 3292 1 19 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.381 -0.528 25421 3293 1 19 . 1 1 14 14 LYS H H 14 7.590 7.590 7.467 0.123 25421 3294 1 19 . 1 1 15 15 ASN N N 15 118.663 118.663 115.990 2.673 25421 3295 1 19 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.484 0.193 25421 3296 1 19 . 1 1 15 15 ASN C C 15 175.372 175.372 175.175 0.197 25421 3297 1 19 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.730 -0.108 25421 3298 1 19 . 1 1 15 15 ASN CB C 15 37.371 37.371 36.952 0.419 25421 3299 1 19 . 1 1 15 15 ASN H H 15 8.473 8.473 8.040 0.433 25421 3300 1 19 . 1 1 16 16 GLU N N 16 115.492 115.492 115.621 -0.129 25421 3301 1 19 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.139 0.165 25421 3302 1 19 . 1 1 16 16 GLU C C 16 178.083 178.083 177.439 0.644 25421 3303 1 19 . 1 1 16 16 GLU CA C 16 57.422 57.422 58.188 -0.766 25421 3304 1 19 . 1 1 16 16 GLU CB C 16 32.526 32.526 30.144 2.382 25421 3305 1 19 . 1 1 16 16 GLU H H 16 8.848 8.848 8.744 0.104 25421 3306 1 19 . 1 1 17 17 CYS N N 17 117.244 117.244 117.409 -0.165 25421 3307 1 19 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.101 1.075 25421 3308 1 19 . 1 1 17 17 CYS C C 17 175.716 175.716 175.919 -0.203 25421 3309 1 19 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.408 -4.878 25421 3310 1 19 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.198 12.876 25421 3311 1 19 . 1 1 17 17 CYS H H 17 8.278 8.278 8.236 0.042 25421 3312 1 19 . 1 1 18 18 CYS N N 18 121.456 121.456 121.865 -0.409 25421 3313 1 19 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.410 0.156 25421 3314 1 19 . 1 1 18 18 CYS C C 18 172.720 172.720 175.883 -3.163 25421 3315 1 19 . 1 1 18 18 CYS CA C 18 54.336 54.336 59.054 -4.718 25421 3316 1 19 . 1 1 18 18 CYS CB C 18 41.143 41.143 27.903 13.240 25421 3317 1 19 . 1 1 18 18 CYS H H 18 9.308 9.308 8.401 0.907 25421 3318 1 19 . 1 1 19 19 SER N N 19 114.196 114.196 118.351 -4.155 25421 3319 1 19 . 1 1 19 19 SER HA H 19 4.273 4.273 4.239 0.034 25421 3320 1 19 . 1 1 19 19 SER C C 19 175.114 175.114 175.717 -0.603 25421 3321 1 19 . 1 1 19 19 SER CA C 19 60.335 60.335 60.139 0.196 25421 3322 1 19 . 1 1 19 19 SER CB C 19 63.047 63.047 63.443 -0.396 25421 3323 1 19 . 1 1 19 19 SER H H 19 8.461 8.461 8.756 -0.295 25421 3324 1 19 . 1 1 20 20 GLY N N 20 113.736 113.736 113.537 0.199 25421 3325 1 19 . 1 1 20 20 GLY C C 20 173.468 173.468 174.077 -0.609 25421 3326 1 19 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.781 -0.199 25421 3327 1 19 . 1 1 20 20 GLY H H 20 8.836 8.836 8.660 0.176 25421 3328 1 19 . 1 1 21 21 TYR N N 21 118.820 118.820 121.334 -2.514 25421 3329 1 19 . 1 1 21 21 TYR HA H 21 5.269 5.269 4.819 0.450 25421 3330 1 19 . 1 1 21 21 TYR C C 21 174.011 174.011 174.649 -0.638 25421 3331 1 19 . 1 1 21 21 TYR CA C 21 56.055 56.055 57.441 -1.386 25421 3332 1 19 . 1 1 21 21 TYR CB C 21 41.659 41.659 39.451 2.208 25421 3333 1 19 . 1 1 21 21 TYR H H 21 8.276 8.276 7.962 0.314 25421 3334 1 19 . 1 1 22 22 ALA N N 22 120.868 120.868 124.259 -3.391 25421 3335 1 19 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.685 -0.032 25421 3336 1 19 . 1 1 22 22 ALA C C 22 176.439 176.439 175.081 1.358 25421 3337 1 19 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.331 0.640 25421 3338 1 19 . 1 1 22 22 ALA CB C 22 23.106 23.106 21.642 1.464 25421 3339 1 19 . 1 1 22 22 ALA H H 22 9.357 9.357 8.331 1.026 25421 3340 1 19 . 1 1 23 23 CYS N N 23 122.679 122.679 118.039 4.640 25421 3341 1 19 . 1 1 23 23 CYS HA H 23 4.565 4.565 5.105 -0.540 25421 3342 1 19 . 1 1 23 23 CYS C C 23 174.530 174.530 174.835 -0.305 25421 3343 1 19 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.252 -2.548 25421 3344 1 19 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.451 12.389 25421 3345 1 19 . 1 1 23 23 CYS H H 23 8.917 8.917 8.415 0.502 25421 3346 1 19 . 1 1 24 24 SER N N 24 123.845 123.845 120.665 3.180 25421 3347 1 19 . 1 1 24 24 SER HA H 24 4.455 4.455 4.997 -0.542 25421 3348 1 19 . 1 1 24 24 SER C C 24 175.964 175.964 175.050 0.914 25421 3349 1 19 . 1 1 24 24 SER CA C 24 57.449 57.449 57.000 0.449 25421 3350 1 19 . 1 1 24 24 SER CB C 24 63.616 63.616 64.387 -0.771 25421 3351 1 19 . 1 1 24 24 SER H H 24 8.057 8.057 8.733 -0.676 25421 3352 1 19 . 1 1 25 25 SER N N 25 124.964 124.964 124.132 0.832 25421 3353 1 19 . 1 1 25 25 SER HA H 25 3.977 3.977 4.277 -0.300 25421 3354 1 19 . 1 1 25 25 SER C C 25 174.925 174.925 175.387 -0.462 25421 3355 1 19 . 1 1 25 25 SER CA C 25 61.411 61.411 59.765 1.646 25421 3356 1 19 . 1 1 25 25 SER CB C 25 62.650 62.650 63.391 -0.741 25421 3357 1 19 . 1 1 25 25 SER H H 25 9.029 9.029 8.954 0.075 25421 3358 1 19 . 1 1 26 26 ARG N N 26 119.221 119.221 120.605 -1.384 25421 3359 1 19 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.087 0.038 25421 3360 1 19 . 1 1 26 26 ARG C C 26 177.031 177.031 176.490 0.541 25421 3361 1 19 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.269 -0.334 25421 3362 1 19 . 1 1 26 26 ARG CB C 26 31.120 31.120 29.894 1.226 25421 3363 1 19 . 1 1 26 26 ARG H H 26 7.880 7.880 8.272 -0.392 25421 3364 1 19 . 1 1 27 27 ASP N N 27 115.090 115.090 114.364 0.726 25421 3365 1 19 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.347 -0.074 25421 3366 1 19 . 1 1 27 27 ASP CA C 27 54.557 54.557 53.044 1.513 25421 3367 1 19 . 1 1 27 27 ASP CB C 27 40.955 40.955 40.823 0.132 25421 3368 1 19 . 1 1 27 27 ASP H H 27 7.396 7.396 7.521 -0.125 25421 3369 1 19 . 1 1 28 28 LYS N N 28 114.145 114.145 118.004 -3.859 25421 3370 1 19 . 1 1 28 28 LYS HA H 28 3.842 3.842 4.004 -0.162 25421 3371 1 19 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.431 0.055 25421 3372 1 19 . 1 1 28 28 LYS CB C 28 28.066 28.066 29.939 -1.873 25421 3373 1 19 . 1 1 28 28 LYS H H 28 8.096 8.096 8.021 0.075 25421 3374 1 19 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.360 0.037 25421 3375 1 19 . 1 1 29 29 TRP C C 29 177.187 177.187 174.806 2.381 25421 3376 1 19 . 1 1 29 29 TRP CA C 29 55.704 55.704 53.227 2.477 25421 3377 1 19 . 1 1 29 29 TRP CB C 29 31.279 31.279 30.026 1.253 25421 3378 1 19 . 1 1 30 30 CYS N N 30 119.238 119.238 119.056 0.182 25421 3379 1 19 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.196 -0.300 25421 3380 1 19 . 1 1 30 30 CYS C C 30 174.364 174.364 174.668 -0.304 25421 3381 1 19 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.206 -2.620 25421 3382 1 19 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.711 10.495 25421 3383 1 19 . 1 1 30 30 CYS H H 30 8.447 8.447 8.185 0.262 25421 3384 1 19 . 1 1 31 31 LYS N N 31 124.793 124.793 119.817 4.976 25421 3385 1 19 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.927 0.114 25421 3386 1 19 . 1 1 31 31 LYS C C 31 175.662 175.662 174.763 0.899 25421 3387 1 19 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.565 0.611 25421 3388 1 19 . 1 1 31 31 LYS CB C 31 35.875 35.875 35.981 -0.106 25421 3389 1 19 . 1 1 31 31 LYS H H 31 9.191 9.191 8.736 0.455 25421 3390 1 19 . 1 1 32 32 VAL N N 32 121.483 121.483 121.515 -0.032 25421 3391 1 19 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.859 -0.038 25421 3392 1 19 . 1 1 32 32 VAL C C 32 175.973 175.973 174.487 1.486 25421 3393 1 19 . 1 1 32 32 VAL CA C 32 64.073 64.073 60.525 3.548 25421 3394 1 19 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.850 -1.482 25421 3395 1 19 . 1 1 32 32 VAL H H 32 8.424 8.424 8.462 -0.038 25421 3396 1 19 . 1 1 33 33 LEU N N 33 128.865 128.865 128.658 0.207 25421 3397 1 19 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.248 0.059 25421 3398 1 19 . 1 1 33 33 LEU C C 33 175.217 175.217 177.563 -2.346 25421 3399 1 19 . 1 1 33 33 LEU CA C 33 55.315 55.315 55.424 -0.109 25421 3400 1 19 . 1 1 33 33 LEU CB C 33 42.589 42.589 41.572 1.017 25421 3401 1 19 . 1 1 33 33 LEU H H 33 8.045 8.045 8.173 -0.128 25421 3402 1 20 . 1 1 2 2 GLU N N 2 120.667 120.667 121.414 -0.747 25421 3403 1 20 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.626 -0.200 25421 3404 1 20 . 1 1 2 2 GLU C C 2 175.960 175.960 175.397 0.563 25421 3405 1 20 . 1 1 2 2 GLU CA C 2 56.073 56.073 56.063 0.010 25421 3406 1 20 . 1 1 2 2 GLU CB C 2 30.439 30.439 31.533 -1.094 25421 3407 1 20 . 1 1 2 2 GLU H H 2 8.716 8.716 8.693 0.023 25421 3408 1 20 . 1 1 3 3 CYS N N 3 119.340 119.340 119.606 -0.266 25421 3409 1 20 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.635 0.187 25421 3410 1 20 . 1 1 3 3 CYS C C 3 173.426 173.426 175.443 -2.017 25421 3411 1 20 . 1 1 3 3 CYS CA C 3 54.700 54.700 56.596 -1.896 25421 3412 1 20 . 1 1 3 3 CYS CB C 3 42.616 42.616 29.060 13.556 25421 3413 1 20 . 1 1 3 3 CYS H H 3 8.457 8.457 8.455 0.002 25421 3414 1 20 . 1 1 4 4 LYS N N 4 121.064 121.064 123.186 -2.122 25421 3415 1 20 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.165 0.161 25421 3416 1 20 . 1 1 4 4 LYS C C 4 174.620 174.620 177.072 -2.452 25421 3417 1 20 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.696 -1.093 25421 3418 1 20 . 1 1 4 4 LYS CB C 4 34.310 34.310 33.024 1.286 25421 3419 1 20 . 1 1 4 4 LYS H H 4 8.763 8.763 8.344 0.419 25421 3420 1 20 . 1 1 5 5 GLY N N 5 109.502 109.502 107.305 2.197 25421 3421 1 20 . 1 1 5 5 GLY C C 5 171.833 171.833 173.647 -1.814 25421 3422 1 20 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.225 -2.583 25421 3423 1 20 . 1 1 5 5 GLY H H 5 7.983 7.983 8.025 -0.042 25421 3424 1 20 . 1 1 6 6 PHE N N 6 117.331 117.331 119.205 -1.874 25421 3425 1 20 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.892 -1.266 25421 3426 1 20 . 1 1 6 6 PHE C C 6 176.435 176.435 174.635 1.800 25421 3427 1 20 . 1 1 6 6 PHE CA C 6 57.913 57.913 57.975 -0.062 25421 3428 1 20 . 1 1 6 6 PHE CB C 6 39.083 39.083 40.925 -1.842 25421 3429 1 20 . 1 1 6 6 PHE H H 6 7.581 7.581 7.553 0.028 25421 3430 1 20 . 1 1 7 7 TRP N N 7 123.869 123.869 117.133 6.736 25421 3431 1 20 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.516 -0.928 25421 3432 1 20 . 1 1 7 7 TRP C C 7 175.204 175.204 175.692 -0.488 25421 3433 1 20 . 1 1 7 7 TRP CA C 7 58.520 58.520 55.732 2.788 25421 3434 1 20 . 1 1 7 7 TRP CB C 7 28.287 28.287 28.811 -0.524 25421 3435 1 20 . 1 1 7 7 TRP H H 7 8.997 8.997 7.173 1.824 25421 3436 1 20 . 1 1 8 8 LYS N N 8 118.614 118.614 121.864 -3.250 25421 3437 1 20 . 1 1 8 8 LYS HA H 8 4.510 4.510 4.301 0.209 25421 3438 1 20 . 1 1 8 8 LYS C C 8 176.595 176.595 176.193 0.402 25421 3439 1 20 . 1 1 8 8 LYS CA C 8 53.984 53.984 56.066 -2.083 25421 3440 1 20 . 1 1 8 8 LYS CB C 8 32.796 32.796 32.941 -0.145 25421 3441 1 20 . 1 1 8 8 LYS H H 8 7.719 7.719 7.369 0.350 25421 3442 1 20 . 1 1 9 9 SER N N 9 116.747 116.747 113.241 3.506 25421 3443 1 20 . 1 1 9 9 SER HA H 9 4.808 4.808 5.106 -0.298 25421 3444 1 20 . 1 1 9 9 SER C C 9 172.976 172.976 173.792 -0.816 25421 3445 1 20 . 1 1 9 9 SER CA C 9 59.175 59.175 56.901 2.275 25421 3446 1 20 . 1 1 9 9 SER CB C 9 63.827 63.827 64.126 -0.299 25421 3447 1 20 . 1 1 9 9 SER H H 9 8.430 8.430 8.287 0.143 25421 3448 1 20 . 1 1 10 10 CYS N N 10 118.508 118.508 119.871 -1.363 25421 3449 1 20 . 1 1 10 10 CYS HA H 10 4.978 4.978 4.914 0.064 25421 3450 1 20 . 1 1 10 10 CYS C C 10 172.556 172.556 173.329 -0.773 25421 3451 1 20 . 1 1 10 10 CYS CA C 10 53.278 53.278 56.942 -3.664 25421 3452 1 20 . 1 1 10 10 CYS CB C 10 46.760 46.760 31.317 15.443 25421 3453 1 20 . 1 1 10 10 CYS H H 10 8.142 8.142 8.140 0.002 25421 3454 1 20 . 1 1 11 11 VAL N N 11 122.963 122.963 114.474 8.489 25421 3455 1 20 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.622 -0.287 25421 3456 1 20 . 1 1 11 11 VAL CA C 11 59.324 59.324 58.390 0.934 25421 3457 1 20 . 1 1 11 11 VAL CB C 11 32.923 32.923 32.964 -0.041 25421 3458 1 20 . 1 1 11 11 VAL H H 11 8.835 8.835 8.349 0.486 25421 3459 1 20 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.498 -0.555 25421 3460 1 20 . 1 1 12 12 PRO C C 12 176.806 176.806 177.633 -0.827 25421 3461 1 20 . 1 1 12 12 PRO CA C 12 64.329 64.329 64.019 0.310 25421 3462 1 20 . 1 1 12 12 PRO CB C 12 31.789 31.789 32.144 -0.355 25421 3463 1 20 . 1 1 13 13 GLY N N 13 111.847 111.847 111.009 0.838 25421 3464 1 20 . 1 1 13 13 GLY C C 13 174.856 174.856 175.424 -0.568 25421 3465 1 20 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.636 -0.340 25421 3466 1 20 . 1 1 13 13 GLY H H 13 8.826 8.826 8.750 0.076 25421 3467 1 20 . 1 1 14 14 LYS N N 14 117.957 117.957 121.388 -3.431 25421 3468 1 20 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.280 0.203 25421 3469 1 20 . 1 1 14 14 LYS C C 14 175.718 175.718 177.123 -1.405 25421 3470 1 20 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.335 -0.922 25421 3471 1 20 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.032 -0.179 25421 3472 1 20 . 1 1 14 14 LYS H H 14 7.590 7.590 7.691 -0.101 25421 3473 1 20 . 1 1 15 15 ASN N N 15 118.663 118.663 116.384 2.279 25421 3474 1 20 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.454 0.223 25421 3475 1 20 . 1 1 15 15 ASN C C 15 175.372 175.372 175.088 0.284 25421 3476 1 20 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.795 -0.173 25421 3477 1 20 . 1 1 15 15 ASN CB C 15 37.371 37.371 37.528 -0.157 25421 3478 1 20 . 1 1 15 15 ASN H H 15 8.473 8.473 7.959 0.514 25421 3479 1 20 . 1 1 16 16 GLU N N 16 115.492 115.492 116.073 -0.581 25421 3480 1 20 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.140 0.164 25421 3481 1 20 . 1 1 16 16 GLU C C 16 178.083 178.083 177.259 0.824 25421 3482 1 20 . 1 1 16 16 GLU CA C 16 57.422 57.422 58.254 -0.832 25421 3483 1 20 . 1 1 16 16 GLU CB C 16 32.526 32.526 30.035 2.491 25421 3484 1 20 . 1 1 16 16 GLU H H 16 8.848 8.848 8.587 0.261 25421 3485 1 20 . 1 1 17 17 CYS N N 17 117.244 117.244 117.064 0.180 25421 3486 1 20 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.114 1.062 25421 3487 1 20 . 1 1 17 17 CYS C C 17 175.716 175.716 176.005 -0.289 25421 3488 1 20 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.177 -4.647 25421 3489 1 20 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.152 12.922 25421 3490 1 20 . 1 1 17 17 CYS H H 17 8.278 8.278 8.156 0.122 25421 3491 1 20 . 1 1 18 18 CYS N N 18 121.456 121.456 121.272 0.184 25421 3492 1 20 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.427 0.139 25421 3493 1 20 . 1 1 18 18 CYS C C 18 172.720 172.720 175.775 -3.055 25421 3494 1 20 . 1 1 18 18 CYS CA C 18 54.336 54.336 59.054 -4.718 25421 3495 1 20 . 1 1 18 18 CYS CB C 18 41.143 41.143 28.024 13.119 25421 3496 1 20 . 1 1 18 18 CYS H H 18 9.308 9.308 8.478 0.830 25421 3497 1 20 . 1 1 19 19 SER N N 19 114.196 114.196 118.291 -4.095 25421 3498 1 20 . 1 1 19 19 SER HA H 19 4.273 4.273 4.214 0.059 25421 3499 1 20 . 1 1 19 19 SER C C 19 175.114 175.114 175.593 -0.479 25421 3500 1 20 . 1 1 19 19 SER CA C 19 60.335 60.335 59.965 0.370 25421 3501 1 20 . 1 1 19 19 SER CB C 19 63.047 63.047 63.332 -0.285 25421 3502 1 20 . 1 1 19 19 SER H H 19 8.461 8.461 8.766 -0.305 25421 3503 1 20 . 1 1 20 20 GLY N N 20 113.736 113.736 114.216 -0.480 25421 3504 1 20 . 1 1 20 20 GLY C C 20 173.468 173.468 174.041 -0.573 25421 3505 1 20 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.873 -0.291 25421 3506 1 20 . 1 1 20 20 GLY H H 20 8.836 8.836 8.865 -0.029 25421 3507 1 20 . 1 1 21 21 TYR N N 21 118.820 118.820 121.267 -2.447 25421 3508 1 20 . 1 1 21 21 TYR HA H 21 5.269 5.269 4.873 0.396 25421 3509 1 20 . 1 1 21 21 TYR C C 21 174.011 174.011 174.609 -0.598 25421 3510 1 20 . 1 1 21 21 TYR CA C 21 56.055 56.055 57.249 -1.194 25421 3511 1 20 . 1 1 21 21 TYR CB C 21 41.659 41.659 39.517 2.142 25421 3512 1 20 . 1 1 21 21 TYR H H 21 8.276 8.276 8.029 0.247 25421 3513 1 20 . 1 1 22 22 ALA N N 22 120.868 120.868 124.366 -3.498 25421 3514 1 20 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.686 -0.033 25421 3515 1 20 . 1 1 22 22 ALA C C 22 176.439 176.439 175.090 1.349 25421 3516 1 20 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.316 0.655 25421 3517 1 20 . 1 1 22 22 ALA CB C 22 23.106 23.106 21.680 1.425 25421 3518 1 20 . 1 1 22 22 ALA H H 22 9.357 9.357 8.296 1.061 25421 3519 1 20 . 1 1 23 23 CYS N N 23 122.679 122.679 118.059 4.620 25421 3520 1 20 . 1 1 23 23 CYS HA H 23 4.565 4.565 5.151 -0.586 25421 3521 1 20 . 1 1 23 23 CYS C C 23 174.530 174.530 174.913 -0.383 25421 3522 1 20 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.200 -2.495 25421 3523 1 20 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.459 12.381 25421 3524 1 20 . 1 1 23 23 CYS H H 23 8.917 8.917 8.424 0.493 25421 3525 1 20 . 1 1 24 24 SER N N 24 123.845 123.845 120.550 3.295 25421 3526 1 20 . 1 1 24 24 SER HA H 24 4.455 4.455 4.945 -0.490 25421 3527 1 20 . 1 1 24 24 SER C C 24 175.964 175.964 174.898 1.066 25421 3528 1 20 . 1 1 24 24 SER CA C 24 57.449 57.449 57.146 0.303 25421 3529 1 20 . 1 1 24 24 SER CB C 24 63.616 63.616 64.380 -0.764 25421 3530 1 20 . 1 1 24 24 SER H H 24 8.057 8.057 8.689 -0.632 25421 3531 1 20 . 1 1 25 25 SER N N 25 124.964 124.964 122.877 2.087 25421 3532 1 20 . 1 1 25 25 SER HA H 25 3.977 3.977 4.207 -0.230 25421 3533 1 20 . 1 1 25 25 SER C C 25 174.925 174.925 176.011 -1.086 25421 3534 1 20 . 1 1 25 25 SER CA C 25 61.411 61.411 60.233 1.178 25421 3535 1 20 . 1 1 25 25 SER CB C 25 62.650 62.650 63.246 -0.596 25421 3536 1 20 . 1 1 25 25 SER H H 25 9.029 9.029 9.103 -0.074 25421 3537 1 20 . 1 1 26 26 ARG N N 26 119.221 119.221 120.221 -1.000 25421 3538 1 20 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.040 0.085 25421 3539 1 20 . 1 1 26 26 ARG C C 26 177.031 177.031 177.325 -0.294 25421 3540 1 20 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.873 -0.938 25421 3541 1 20 . 1 1 26 26 ARG CB C 26 31.120 31.120 30.333 0.787 25421 3542 1 20 . 1 1 26 26 ARG H H 26 7.880 7.880 8.166 -0.286 25421 3543 1 20 . 1 1 27 27 ASP N N 27 115.090 115.090 115.418 -0.328 25421 3544 1 20 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.384 -0.111 25421 3545 1 20 . 1 1 27 27 ASP CA C 27 54.557 54.557 52.983 1.574 25421 3546 1 20 . 1 1 27 27 ASP CB C 27 40.955 40.955 40.579 0.376 25421 3547 1 20 . 1 1 27 27 ASP H H 27 7.396 7.396 7.466 -0.070 25421 3548 1 20 . 1 1 28 28 LYS N N 28 114.145 114.145 116.835 -2.690 25421 3549 1 20 . 1 1 28 28 LYS HA H 28 3.842 3.842 4.035 -0.193 25421 3550 1 20 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.429 0.057 25421 3551 1 20 . 1 1 28 28 LYS CB C 28 28.066 28.066 29.672 -1.607 25421 3552 1 20 . 1 1 28 28 LYS H H 28 8.096 8.096 7.967 0.129 25421 3553 1 20 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.414 -0.017 25421 3554 1 20 . 1 1 29 29 TRP C C 29 177.187 177.187 175.010 2.177 25421 3555 1 20 . 1 1 29 29 TRP CA C 29 55.704 55.704 53.097 2.607 25421 3556 1 20 . 1 1 29 29 TRP CB C 29 31.279 31.279 29.830 1.449 25421 3557 1 20 . 1 1 30 30 CYS N N 30 119.238 119.238 119.196 0.042 25421 3558 1 20 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.203 -0.307 25421 3559 1 20 . 1 1 30 30 CYS C C 30 174.364 174.364 174.721 -0.357 25421 3560 1 20 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.307 -2.721 25421 3561 1 20 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.554 10.652 25421 3562 1 20 . 1 1 30 30 CYS H H 30 8.447 8.447 8.234 0.213 25421 3563 1 20 . 1 1 31 31 LYS N N 31 124.793 124.793 120.137 4.656 25421 3564 1 20 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.945 0.096 25421 3565 1 20 . 1 1 31 31 LYS C C 31 175.662 175.662 174.658 1.004 25421 3566 1 20 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.421 0.755 25421 3567 1 20 . 1 1 31 31 LYS CB C 31 35.875 35.875 36.113 -0.238 25421 3568 1 20 . 1 1 31 31 LYS H H 31 9.191 9.191 8.758 0.433 25421 3569 1 20 . 1 1 32 32 VAL N N 32 121.483 121.483 121.931 -0.448 25421 3570 1 20 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.937 -0.116 25421 3571 1 20 . 1 1 32 32 VAL C C 32 175.973 175.973 174.422 1.551 25421 3572 1 20 . 1 1 32 32 VAL CA C 32 64.073 64.073 59.773 4.300 25421 3573 1 20 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.948 -1.580 25421 3574 1 20 . 1 1 32 32 VAL H H 32 8.424 8.424 8.495 -0.071 25421 3575 1 20 . 1 1 33 33 LEU N N 33 128.865 128.865 129.189 -0.324 25421 3576 1 20 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.243 0.064 25421 3577 1 20 . 1 1 33 33 LEU C C 33 175.217 175.217 177.370 -2.153 25421 3578 1 20 . 1 1 33 33 LEU CA C 33 55.315 55.315 55.103 0.212 25421 3579 1 20 . 1 1 33 33 LEU CB C 33 42.589 42.589 41.382 1.207 25421 3580 1 20 . 1 1 33 33 LEU H H 33 8.045 8.045 8.336 -0.291 25421 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 30 3.067 -0.466 3.084 25421 2 1 1 "Average Difference" HA 35 0.406 0.023 0.412 25421 3 1 1 "Average Difference" C 29 1.236 0.314 1.217 25421 4 1 1 "Average Difference" CA 32 2.042 0.378 2.039 25421 5 1 1 "Average Difference" CB 29 5.998 -2.807 5.395 25421 6 1 1 "Average Difference" HN 30 0.518 -0.230 0.472 25421 7 1 2 "Average Difference" N 30 2.536 -0.170 2.574 25421 8 1 2 "Average Difference" HA 35 0.407 0.038 0.411 25421 9 1 2 "Average Difference" C 29 1.270 0.322 1.250 25421 10 1 2 "Average Difference" CA 32 2.067 0.463 2.046 25421 11 1 2 "Average Difference" CB 29 6.209 -2.788 5.646 25421 12 1 2 "Average Difference" HN 30 0.417 -0.156 0.393 25421 13 1 3 "Average Difference" N 30 2.945 -0.373 2.971 25421 14 1 3 "Average Difference" HA 35 0.417 0.043 0.420 25421 15 1 3 "Average Difference" C 29 1.208 0.260 1.200 25421 16 1 3 "Average Difference" CA 32 1.988 0.372 1.984 25421 17 1 3 "Average Difference" CB 29 5.987 -2.759 5.407 25421 18 1 3 "Average Difference" HN 30 0.489 -0.206 0.451 25421 19 1 4 "Average Difference" N 30 2.766 -0.388 2.785 25421 20 1 4 "Average Difference" HA 35 0.408 0.055 0.410 25421 21 1 4 "Average Difference" C 29 1.256 0.279 1.246 25421 22 1 4 "Average Difference" CA 32 2.037 0.450 2.018 25421 23 1 4 "Average Difference" CB 29 5.988 -2.735 5.421 25421 24 1 4 "Average Difference" HN 30 0.433 -0.161 0.409 25421 25 1 5 "Average Difference" N 30 3.032 -0.423 3.054 25421 26 1 5 "Average Difference" HA 35 0.439 0.044 0.444 25421 27 1 5 "Average Difference" C 29 1.207 0.226 1.207 25421 28 1 5 "Average Difference" CA 32 2.019 0.371 2.016 25421 29 1 5 "Average Difference" CB 29 5.991 -2.734 5.425 25421 30 1 5 "Average Difference" HN 30 0.467 -0.205 0.427 25421 31 1 6 "Average Difference" N 30 2.799 -0.178 2.841 25421 32 1 6 "Average Difference" HA 35 0.399 0.033 0.403 25421 33 1 6 "Average Difference" C 29 1.221 0.230 1.220 25421 34 1 6 "Average Difference" CA 32 2.015 0.467 1.991 25421 35 1 6 "Average Difference" CB 29 6.072 -2.764 5.502 25421 36 1 6 "Average Difference" HN 30 0.417 -0.162 0.390 25421 37 1 7 "Average Difference" N 30 2.664 -0.096 2.708 25421 38 1 7 "Average Difference" HA 35 0.407 0.063 0.408 25421 39 1 7 "Average Difference" C 29 1.255 0.248 1.252 25421 40 1 7 "Average Difference" CA 32 2.019 0.427 2.005 25421 41 1 7 "Average Difference" CB 29 6.076 -2.742 5.518 25421 42 1 7 "Average Difference" HN 30 0.397 -0.152 0.373 25421 43 1 8 "Average Difference" N 30 3.010 -0.536 3.012 25421 44 1 8 "Average Difference" HA 35 0.419 0.059 0.421 25421 45 1 8 "Average Difference" C 29 1.196 0.234 1.194 25421 46 1 8 "Average Difference" CA 32 1.957 0.278 1.969 25421 47 1 8 "Average Difference" CB 29 6.023 -2.682 5.489 25421 48 1 8 "Average Difference" HN 30 0.484 -0.229 0.433 25421 49 1 9 "Average Difference" N 30 2.830 -0.144 2.875 25421 50 1 9 "Average Difference" HA 35 0.403 0.061 0.404 25421 51 1 9 "Average Difference" C 29 1.338 0.302 1.327 25421 52 1 9 "Average Difference" CA 32 2.041 0.426 2.028 25421 53 1 9 "Average Difference" CB 29 6.174 -2.812 5.594 25421 54 1 9 "Average Difference" HN 30 0.447 -0.179 0.416 25421 55 1 10 "Average Difference" N 30 2.728 -0.303 2.758 25421 56 1 10 "Average Difference" HA 35 0.416 0.060 0.418 25421 57 1 10 "Average Difference" C 29 1.255 0.324 1.234 25421 58 1 10 "Average Difference" CA 32 1.980 0.441 1.961 25421 59 1 10 "Average Difference" CB 29 6.037 -2.688 5.502 25421 60 1 10 "Average Difference" HN 30 0.415 -0.143 0.396 25421 61 1 11 "Average Difference" N 30 2.612 -0.440 2.619 25421 62 1 11 "Average Difference" HA 35 0.407 0.063 0.408 25421 63 1 11 "Average Difference" C 29 1.146 0.229 1.143 25421 64 1 11 "Average Difference" CA 32 2.019 0.401 2.010 25421 65 1 11 "Average Difference" CB 29 5.946 -2.667 5.408 25421 66 1 11 "Average Difference" HN 30 0.429 -0.162 0.405 25421 67 1 12 "Average Difference" N 30 2.495 -0.525 2.481 25421 68 1 12 "Average Difference" HA 35 0.395 0.060 0.396 25421 69 1 12 "Average Difference" C 29 1.187 0.162 1.197 25421 70 1 12 "Average Difference" CA 32 2.020 0.431 2.005 25421 71 1 12 "Average Difference" CB 29 6.028 -2.765 5.451 25421 72 1 12 "Average Difference" HN 30 0.428 -0.189 0.390 25421 73 1 13 "Average Difference" N 30 2.723 -0.226 2.760 25421 74 1 13 "Average Difference" HA 35 0.409 0.084 0.406 25421 75 1 13 "Average Difference" C 29 1.172 0.240 1.167 25421 76 1 13 "Average Difference" CA 32 2.027 0.362 2.026 25421 77 1 13 "Average Difference" CB 29 6.014 -2.730 5.453 25421 78 1 13 "Average Difference" HN 30 0.442 -0.168 0.416 25421 79 1 14 "Average Difference" N 30 2.845 -0.261 2.882 25421 80 1 14 "Average Difference" HA 35 0.419 0.071 0.419 25421 81 1 14 "Average Difference" C 29 1.215 0.251 1.210 25421 82 1 14 "Average Difference" CA 32 2.049 0.414 2.038 25421 83 1 14 "Average Difference" CB 29 5.997 -2.715 5.442 25421 84 1 14 "Average Difference" HN 30 0.401 -0.130 0.386 25421 85 1 15 "Average Difference" N 30 2.838 0.075 2.886 25421 86 1 15 "Average Difference" HA 35 0.415 0.084 0.413 25421 87 1 15 "Average Difference" C 29 1.259 0.333 1.236 25421 88 1 15 "Average Difference" CA 32 2.035 0.352 2.037 25421 89 1 15 "Average Difference" CB 29 6.038 -2.733 5.480 25421 90 1 15 "Average Difference" HN 30 0.404 -0.138 0.387 25421 91 1 16 "Average Difference" N 30 2.649 -0.111 2.691 25421 92 1 16 "Average Difference" HA 35 0.413 0.067 0.413 25421 93 1 16 "Average Difference" C 29 1.353 0.387 1.319 25421 94 1 16 "Average Difference" CA 32 2.041 0.432 2.026 25421 95 1 16 "Average Difference" CB 29 6.153 -2.805 5.574 25421 96 1 16 "Average Difference" HN 30 0.433 -0.182 0.399 25421 97 1 17 "Average Difference" N 30 2.583 -0.443 2.588 25421 98 1 17 "Average Difference" HA 35 0.398 0.069 0.398 25421 99 1 17 "Average Difference" C 29 1.224 0.252 1.219 25421 100 1 17 "Average Difference" CA 32 1.976 0.381 1.970 25421 101 1 17 "Average Difference" CB 29 6.019 -2.654 5.498 25421 102 1 17 "Average Difference" HN 30 0.457 -0.185 0.425 25421 103 1 18 "Average Difference" N 30 2.870 -0.317 2.901 25421 104 1 18 "Average Difference" HA 35 0.439 0.039 0.444 25421 105 1 18 "Average Difference" C 29 1.252 0.304 1.236 25421 106 1 18 "Average Difference" CA 32 2.049 0.401 2.042 25421 107 1 18 "Average Difference" CB 29 6.078 -2.809 5.486 25421 108 1 18 "Average Difference" HN 30 0.415 -0.158 0.390 25421 109 1 19 "Average Difference" N 30 2.911 -0.241 2.950 25421 110 1 19 "Average Difference" HA 35 0.404 0.040 0.408 25421 111 1 19 "Average Difference" C 29 1.255 0.253 1.251 25421 112 1 19 "Average Difference" CA 32 2.035 0.411 2.025 25421 113 1 19 "Average Difference" CB 29 6.022 -2.793 5.430 25421 114 1 19 "Average Difference" HN 30 0.504 -0.202 0.470 25421 115 1 20 "Average Difference" N 30 3.032 -0.339 3.065 25421 116 1 20 "Average Difference" HA 35 0.415 0.053 0.417 25421 117 1 20 "Average Difference" C 29 1.312 0.324 1.294 25421 118 1 20 "Average Difference" CA 32 2.055 0.385 2.051 25421 119 1 20 "Average Difference" CB 29 6.041 -2.742 5.478 25421 120 1 20 "Average Difference" HN 30 0.493 -0.192 0.462 25421 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 25421 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 GLU N N 2 120.667 120.667 120.525 0.142 25421 2 1 . 1 1 2 2 GLU HA H 2 4.426 4.426 4.598 -0.172 25421 3 1 . 1 1 2 2 GLU C C 2 175.960 175.960 175.899 0.061 25421 4 1 . 1 1 2 2 GLU CA C 2 56.073 56.073 56.047 0.026 25421 5 1 . 1 1 2 2 GLU CB C 2 30.439 30.439 30.850 -0.411 25421 6 1 . 1 1 2 2 GLU H H 2 8.716 8.716 8.536 0.180 25421 7 1 . 1 1 3 3 CYS N N 3 119.340 119.340 118.578 0.762 25421 8 1 . 1 1 3 3 CYS HA H 3 4.822 4.822 4.656 0.166 25421 9 1 . 1 1 3 3 CYS C C 3 173.426 173.426 174.937 -1.511 25421 10 1 . 1 1 3 3 CYS CA C 3 54.700 54.700 56.863 -2.163 25421 11 1 . 1 1 3 3 CYS CB C 3 42.616 42.616 29.440 13.176 25421 12 1 . 1 1 3 3 CYS H H 3 8.457 8.457 8.436 0.021 25421 13 1 . 1 1 4 4 LYS N N 4 121.064 121.064 122.888 -1.824 25421 14 1 . 1 1 4 4 LYS HA H 4 4.326 4.326 4.218 0.108 25421 15 1 . 1 1 4 4 LYS C C 4 174.620 174.620 177.071 -2.451 25421 16 1 . 1 1 4 4 LYS CA C 4 55.603 55.603 56.767 -1.164 25421 17 1 . 1 1 4 4 LYS CB C 4 34.310 34.310 33.016 1.294 25421 18 1 . 1 1 4 4 LYS H H 4 8.763 8.763 8.279 0.484 25421 19 1 . 1 1 5 5 GLY N N 5 109.502 109.502 107.343 2.160 25421 20 1 . 1 1 5 5 GLY C C 5 171.833 171.833 173.691 -1.858 25421 21 1 . 1 1 5 5 GLY CA C 5 42.642 42.642 45.310 -2.668 25421 22 1 . 1 1 5 5 GLY H H 5 7.983 7.983 8.147 -0.164 25421 23 1 . 1 1 6 6 PHE N N 6 117.331 117.331 118.870 -1.539 25421 24 1 . 1 1 6 6 PHE HA H 6 3.626 3.626 4.919 -1.293 25421 25 1 . 1 1 6 6 PHE C C 6 176.435 176.435 175.041 1.394 25421 26 1 . 1 1 6 6 PHE CA C 6 57.913 57.913 58.085 -0.172 25421 27 1 . 1 1 6 6 PHE CB C 6 39.083 39.083 41.082 -1.999 25421 28 1 . 1 1 6 6 PHE H H 6 7.581 7.581 8.086 -0.505 25421 29 1 . 1 1 7 7 TRP N N 7 123.869 123.869 119.155 4.714 25421 30 1 . 1 1 7 7 TRP HA H 7 3.588 3.588 4.417 -0.828 25421 31 1 . 1 1 7 7 TRP C C 7 175.204 175.204 175.819 -0.615 25421 32 1 . 1 1 7 7 TRP CA C 7 58.520 58.520 56.728 1.792 25421 33 1 . 1 1 7 7 TRP CB C 7 28.287 28.287 29.526 -1.239 25421 34 1 . 1 1 7 7 TRP H H 7 8.997 8.997 7.839 1.158 25421 35 1 . 1 1 8 8 LYS N N 8 118.614 118.614 120.319 -1.705 25421 36 1 . 1 1 8 8 LYS HA H 8 4.510 4.510 4.234 0.276 25421 37 1 . 1 1 8 8 LYS C C 8 176.595 176.595 175.957 0.638 25421 38 1 . 1 1 8 8 LYS CA C 8 53.984 53.984 56.456 -2.472 25421 39 1 . 1 1 8 8 LYS CB C 8 32.796 32.796 32.787 0.009 25421 40 1 . 1 1 8 8 LYS H H 8 7.719 7.719 7.599 0.120 25421 41 1 . 1 1 9 9 SER N N 9 116.747 116.747 113.969 2.778 25421 42 1 . 1 1 9 9 SER HA H 9 4.808 4.808 4.886 -0.078 25421 43 1 . 1 1 9 9 SER C C 9 172.976 172.976 173.542 -0.566 25421 44 1 . 1 1 9 9 SER CA C 9 59.175 59.175 57.220 1.956 25421 45 1 . 1 1 9 9 SER CB C 9 63.827 63.827 63.820 0.007 25421 46 1 . 1 1 9 9 SER H H 9 8.430 8.430 8.274 0.156 25421 47 1 . 1 1 10 10 CYS N N 10 118.508 118.508 121.015 -2.507 25421 48 1 . 1 1 10 10 CYS HA H 10 4.978 4.978 4.997 -0.019 25421 49 1 . 1 1 10 10 CYS C C 10 172.556 172.556 173.206 -0.650 25421 50 1 . 1 1 10 10 CYS CA C 10 53.278 53.278 56.490 -3.212 25421 51 1 . 1 1 10 10 CYS CB C 10 46.760 46.760 30.941 15.818 25421 52 1 . 1 1 10 10 CYS H H 10 8.142 8.142 8.011 0.131 25421 53 1 . 1 1 11 11 VAL N N 11 122.963 122.963 115.161 7.802 25421 54 1 . 1 1 11 11 VAL HA H 11 4.335 4.335 4.595 -0.260 25421 55 1 . 1 1 11 11 VAL CA C 11 59.324 59.324 58.097 1.227 25421 56 1 . 1 1 11 11 VAL CB C 11 32.923 32.923 32.793 0.130 25421 57 1 . 1 1 11 11 VAL H H 11 8.835 8.835 8.187 0.648 25421 58 1 . 1 1 12 12 PRO HA H 12 3.943 3.943 4.391 -0.448 25421 59 1 . 1 1 12 12 PRO C C 12 176.806 176.806 177.696 -0.890 25421 60 1 . 1 1 12 12 PRO CA C 12 64.329 64.329 63.813 0.516 25421 61 1 . 1 1 12 12 PRO CB C 12 31.789 31.789 31.466 0.323 25421 62 1 . 1 1 13 13 GLY N N 13 111.847 111.847 113.229 -1.382 25421 63 1 . 1 1 13 13 GLY C C 13 174.856 174.856 175.169 -0.313 25421 64 1 . 1 1 13 13 GLY CA C 13 45.296 45.296 45.273 0.023 25421 65 1 . 1 1 13 13 GLY H H 13 8.826 8.826 8.621 0.205 25421 66 1 . 1 1 14 14 LYS N N 14 117.957 117.957 121.111 -3.154 25421 67 1 . 1 1 14 14 LYS HA H 14 4.483 4.483 4.278 0.205 25421 68 1 . 1 1 14 14 LYS C C 14 175.718 175.718 176.895 -1.177 25421 69 1 . 1 1 14 14 LYS CA C 14 55.413 55.413 56.663 -1.250 25421 70 1 . 1 1 14 14 LYS CB C 14 32.853 32.853 33.348 -0.495 25421 71 1 . 1 1 14 14 LYS H H 14 7.590 7.590 7.596 -0.006 25421 72 1 . 1 1 15 15 ASN N N 15 118.663 118.663 115.843 2.820 25421 73 1 . 1 1 15 15 ASN HA H 15 4.677 4.677 4.473 0.204 25421 74 1 . 1 1 15 15 ASN C C 15 175.372 175.372 175.118 0.254 25421 75 1 . 1 1 15 15 ASN CA C 15 53.622 53.622 53.810 -0.188 25421 76 1 . 1 1 15 15 ASN CB C 15 37.371 37.371 36.909 0.462 25421 77 1 . 1 1 15 15 ASN H H 15 8.473 8.473 8.033 0.440 25421 78 1 . 1 1 16 16 GLU N N 16 115.492 115.492 115.462 0.030 25421 79 1 . 1 1 16 16 GLU HA H 16 4.304 4.304 4.148 0.156 25421 80 1 . 1 1 16 16 GLU C C 16 178.083 178.083 177.418 0.665 25421 81 1 . 1 1 16 16 GLU CA C 16 57.422 57.422 57.990 -0.568 25421 82 1 . 1 1 16 16 GLU CB C 16 32.526 32.526 29.998 2.528 25421 83 1 . 1 1 16 16 GLU H H 16 8.848 8.848 8.681 0.167 25421 84 1 . 1 1 17 17 CYS N N 17 117.244 117.244 117.346 -0.102 25421 85 1 . 1 1 17 17 CYS HA H 17 5.176 5.176 4.144 1.032 25421 86 1 . 1 1 17 17 CYS C C 17 175.716 175.716 176.026 -0.310 25421 87 1 . 1 1 17 17 CYS CA C 17 55.530 55.530 60.391 -4.861 25421 88 1 . 1 1 17 17 CYS CB C 17 40.074 40.074 27.194 12.880 25421 89 1 . 1 1 17 17 CYS H H 17 8.278 8.278 8.178 0.100 25421 90 1 . 1 1 18 18 CYS N N 18 121.456 121.456 121.944 -0.488 25421 91 1 . 1 1 18 18 CYS HA H 18 4.566 4.566 4.438 0.128 25421 92 1 . 1 1 18 18 CYS C C 18 172.720 172.720 175.761 -3.041 25421 93 1 . 1 1 18 18 CYS CA C 18 54.336 54.336 58.953 -4.617 25421 94 1 . 1 1 18 18 CYS CB C 18 41.143 41.143 27.960 13.183 25421 95 1 . 1 1 18 18 CYS H H 18 9.308 9.308 8.539 0.769 25421 96 1 . 1 1 19 19 SER N N 19 114.196 114.196 117.683 -3.487 25421 97 1 . 1 1 19 19 SER HA H 19 4.273 4.273 4.276 -0.003 25421 98 1 . 1 1 19 19 SER C C 19 175.114 175.114 175.730 -0.616 25421 99 1 . 1 1 19 19 SER CA C 19 60.335 60.335 60.135 0.200 25421 100 1 . 1 1 19 19 SER CB C 19 63.047 63.047 63.422 -0.374 25421 101 1 . 1 1 19 19 SER H H 19 8.461 8.461 8.692 -0.231 25421 102 1 . 1 1 20 20 GLY N N 20 113.736 113.736 113.694 0.042 25421 103 1 . 1 1 20 20 GLY C C 20 173.468 173.468 173.883 -0.415 25421 104 1 . 1 1 20 20 GLY CA C 20 44.582 44.582 44.877 -0.295 25421 105 1 . 1 1 20 20 GLY H H 20 8.836 8.836 8.688 0.148 25421 106 1 . 1 1 21 21 TYR N N 21 118.820 118.820 120.695 -1.875 25421 107 1 . 1 1 21 21 TYR HA H 21 5.269 5.269 4.916 0.353 25421 108 1 . 1 1 21 21 TYR C C 21 174.011 174.011 174.553 -0.542 25421 109 1 . 1 1 21 21 TYR CA C 21 56.055 56.055 57.059 -1.004 25421 110 1 . 1 1 21 21 TYR CB C 21 41.659 41.659 39.972 1.687 25421 111 1 . 1 1 21 21 TYR H H 21 8.276 8.276 7.865 0.411 25421 112 1 . 1 1 22 22 ALA N N 22 120.868 120.868 124.213 -3.345 25421 113 1 . 1 1 22 22 ALA HA H 22 4.653 4.653 4.710 -0.057 25421 114 1 . 1 1 22 22 ALA C C 22 176.439 176.439 175.158 1.281 25421 115 1 . 1 1 22 22 ALA CA C 22 50.971 50.971 50.315 0.656 25421 116 1 . 1 1 22 22 ALA CB C 22 23.106 23.106 21.834 1.272 25421 117 1 . 1 1 22 22 ALA H H 22 9.357 9.357 8.341 1.016 25421 118 1 . 1 1 23 23 CYS N N 23 122.679 122.679 118.135 4.544 25421 119 1 . 1 1 23 23 CYS HA H 23 4.565 4.565 5.124 -0.559 25421 120 1 . 1 1 23 23 CYS C C 23 174.530 174.530 174.855 -0.325 25421 121 1 . 1 1 23 23 CYS CA C 23 55.704 55.704 58.235 -2.531 25421 122 1 . 1 1 23 23 CYS CB C 23 41.840 41.840 29.445 12.395 25421 123 1 . 1 1 23 23 CYS H H 23 8.917 8.917 8.525 0.392 25421 124 1 . 1 1 24 24 SER N N 24 123.845 123.845 120.623 3.222 25421 125 1 . 1 1 24 24 SER HA H 24 4.455 4.455 4.935 -0.480 25421 126 1 . 1 1 24 24 SER C C 24 175.964 175.964 174.822 1.142 25421 127 1 . 1 1 24 24 SER CA C 24 57.449 57.449 57.078 0.371 25421 128 1 . 1 1 24 24 SER CB C 24 63.616 63.616 64.440 -0.824 25421 129 1 . 1 1 24 24 SER H H 24 8.057 8.057 8.660 -0.603 25421 130 1 . 1 1 25 25 SER N N 25 124.964 124.964 123.623 1.341 25421 131 1 . 1 1 25 25 SER HA H 25 3.977 3.977 4.236 -0.259 25421 132 1 . 1 1 25 25 SER C C 25 174.925 174.925 175.606 -0.681 25421 133 1 . 1 1 25 25 SER CA C 25 61.411 61.411 59.865 1.546 25421 134 1 . 1 1 25 25 SER CB C 25 62.650 62.650 63.320 -0.670 25421 135 1 . 1 1 25 25 SER H H 25 9.029 9.029 9.013 0.016 25421 136 1 . 1 1 26 26 ARG N N 26 119.221 119.221 120.339 -1.118 25421 137 1 . 1 1 26 26 ARG HA H 26 4.125 4.125 4.058 0.067 25421 138 1 . 1 1 26 26 ARG C C 26 177.031 177.031 176.732 0.299 25421 139 1 . 1 1 26 26 ARG CA C 26 57.935 57.935 58.411 -0.476 25421 140 1 . 1 1 26 26 ARG CB C 26 31.120 31.120 30.225 0.895 25421 141 1 . 1 1 26 26 ARG H H 26 7.880 7.880 8.141 -0.261 25421 142 1 . 1 1 27 27 ASP N N 27 115.090 115.090 115.185 -0.095 25421 143 1 . 1 1 27 27 ASP HA H 27 4.273 4.273 4.338 -0.065 25421 144 1 . 1 1 27 27 ASP CA C 27 54.557 54.557 53.147 1.410 25421 145 1 . 1 1 27 27 ASP CB C 27 40.955 40.955 40.846 0.109 25421 146 1 . 1 1 27 27 ASP H H 27 7.396 7.396 7.487 -0.091 25421 147 1 . 1 1 28 28 LYS N N 28 114.145 114.145 117.145 -3.000 25421 148 1 . 1 1 28 28 LYS HA H 28 3.842 3.842 3.965 -0.123 25421 149 1 . 1 1 28 28 LYS CA C 28 57.486 57.486 57.372 0.114 25421 150 1 . 1 1 28 28 LYS CB C 28 28.066 28.066 29.982 -1.916 25421 151 1 . 1 1 28 28 LYS H H 28 8.096 8.096 7.922 0.175 25421 152 1 . 1 1 29 29 TRP HA H 29 5.397 5.397 5.353 0.044 25421 153 1 . 1 1 29 29 TRP C C 29 177.187 177.187 174.933 2.254 25421 154 1 . 1 1 29 29 TRP CA C 29 55.704 55.704 53.144 2.560 25421 155 1 . 1 1 29 29 TRP CB C 29 31.279 31.279 29.885 1.394 25421 156 1 . 1 1 30 30 CYS N N 30 119.238 119.238 119.066 0.172 25421 157 1 . 1 1 30 30 CYS HA H 30 4.896 4.896 5.158 -0.262 25421 158 1 . 1 1 30 30 CYS C C 30 174.364 174.364 174.706 -0.342 25421 159 1 . 1 1 30 30 CYS CA C 30 55.586 55.586 58.212 -2.626 25421 160 1 . 1 1 30 30 CYS CB C 30 40.206 40.206 29.673 10.533 25421 161 1 . 1 1 30 30 CYS H H 30 8.447 8.447 8.153 0.294 25421 162 1 . 1 1 31 31 LYS N N 31 124.793 124.793 120.231 4.562 25421 163 1 . 1 1 31 31 LYS HA H 31 5.041 5.041 4.906 0.135 25421 164 1 . 1 1 31 31 LYS C C 31 175.662 175.662 174.809 0.853 25421 165 1 . 1 1 31 31 LYS CA C 31 55.176 55.176 54.405 0.771 25421 166 1 . 1 1 31 31 LYS CB C 31 35.875 35.875 36.007 -0.132 25421 167 1 . 1 1 31 31 LYS H H 31 9.191 9.191 8.778 0.413 25421 168 1 . 1 1 32 32 VAL N N 32 121.483 121.483 121.976 -0.493 25421 169 1 . 1 1 32 32 VAL HA H 32 3.821 3.821 3.914 -0.093 25421 170 1 . 1 1 32 32 VAL C C 32 175.973 175.973 174.549 1.424 25421 171 1 . 1 1 32 32 VAL CA C 32 64.073 64.073 59.997 4.076 25421 172 1 . 1 1 32 32 VAL CB C 32 32.368 32.368 33.640 -1.272 25421 173 1 . 1 1 32 32 VAL H H 32 8.424 8.424 8.537 -0.113 25421 174 1 . 1 1 33 33 LEU N N 33 128.865 128.865 128.989 -0.124 25421 175 1 . 1 1 33 33 LEU HA H 33 4.307 4.307 4.291 0.016 25421 176 1 . 1 1 33 33 LEU C C 33 175.217 175.217 177.118 -1.901 25421 177 1 . 1 1 33 33 LEU CA C 33 55.315 55.315 55.163 0.152 25421 178 1 . 1 1 33 33 LEU CB C 33 42.589 42.589 41.711 0.878 25421 179 1 . 1 1 33 33 LEU H H 33 8.045 8.045 8.224 -0.179 25421 stop_ save_