data_25568 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25568 _Entry.PDB_ID 2N1N 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 25568 _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 2 121.648 121.648 120.616 1.032 25568 2 1 1 . 1 1 2 2 GLU HA H 2 4.501 4.501 4.602 -0.101 25568 3 1 1 . 1 1 2 2 GLU C C 2 173.747 173.747 175.674 -1.927 25568 4 1 1 . 1 1 2 2 GLU CA C 2 56.086 56.086 56.072 0.014 25568 5 1 1 . 1 1 2 2 GLU CB C 2 30.592 30.592 30.576 0.016 25568 6 1 1 . 1 1 2 2 GLU H H 2 8.802 8.802 8.556 0.246 25568 7 1 1 . 1 1 3 3 CYS N N 3 119.267 119.267 117.528 1.739 25568 8 1 1 . 1 1 3 3 CYS HA H 3 4.568 4.568 4.796 -0.228 25568 9 1 1 . 1 1 3 3 CYS C C 3 171.833 171.833 174.785 -2.952 25568 10 1 1 . 1 1 3 3 CYS CA C 3 54.337 54.337 57.430 -3.093 25568 11 1 1 . 1 1 3 3 CYS CB C 3 41.809 41.809 29.656 12.153 25568 12 1 1 . 1 1 3 3 CYS H H 3 8.252 8.252 8.267 -0.015 25568 13 1 1 . 1 1 4 4 GLY N N 4 107.188 107.188 107.700 -0.512 25568 14 1 1 . 1 1 4 4 GLY CA C 4 46.766 46.766 45.505 1.261 25568 15 1 1 . 1 1 4 4 GLY H H 4 8.642 8.642 8.465 0.177 25568 16 1 1 . 1 1 5 5 LYS N N 5 124.281 124.281 116.624 7.657 25568 17 1 1 . 1 1 5 5 LYS HA H 5 3.978 3.978 4.087 -0.109 25568 18 1 1 . 1 1 5 5 LYS C C 5 172.710 172.710 174.271 -1.561 25568 19 1 1 . 1 1 5 5 LYS CA C 5 54.483 54.483 54.815 -0.332 25568 20 1 1 . 1 1 5 5 LYS CB C 5 32.688 32.688 34.232 -1.544 25568 21 1 1 . 1 1 5 5 LYS H H 5 5.250 5.250 7.940 -2.690 25568 22 1 1 . 1 1 6 6 PHE N N 6 119.437 119.437 120.506 -1.069 25568 23 1 1 . 1 1 6 6 PHE HA H 6 4.077 4.077 4.325 -0.248 25568 24 1 1 . 1 1 6 6 PHE C C 6 174.609 174.609 175.833 -1.224 25568 25 1 1 . 1 1 6 6 PHE CA C 6 59.363 59.363 59.471 -0.108 25568 26 1 1 . 1 1 6 6 PHE CB C 6 38.968 38.968 39.351 -0.383 25568 27 1 1 . 1 1 6 6 PHE H H 6 8.141 8.141 8.204 -0.063 25568 28 1 1 . 1 1 7 7 MET N N 7 118.789 118.789 120.455 -1.666 25568 29 1 1 . 1 1 7 7 MET HA H 7 2.968 2.968 2.834 0.134 25568 30 1 1 . 1 1 7 7 MET C C 7 174.035 174.035 174.150 -0.115 25568 31 1 1 . 1 1 7 7 MET CA C 7 58.125 58.125 56.183 1.942 25568 32 1 1 . 1 1 7 7 MET CB C 7 29.062 29.062 29.909 -0.847 25568 33 1 1 . 1 1 7 7 MET H H 7 9.152 9.152 8.248 0.904 25568 34 1 1 . 1 1 8 8 TRP N N 8 122.588 122.588 120.304 2.284 25568 35 1 1 . 1 1 8 8 TRP HA H 8 4.626 4.626 4.690 -0.064 25568 36 1 1 . 1 1 8 8 TRP C C 8 174.497 174.497 176.162 -1.665 25568 37 1 1 . 1 1 8 8 TRP CA C 8 57.397 57.397 54.817 2.580 25568 38 1 1 . 1 1 8 8 TRP CB C 8 28.697 28.697 30.152 -1.455 25568 39 1 1 . 1 1 8 8 TRP H H 8 8.796 8.796 7.469 1.327 25568 40 1 1 . 1 1 9 9 LYS N N 9 121.982 121.982 123.976 -1.994 25568 41 1 1 . 1 1 9 9 LYS HA H 9 4.639 4.639 4.590 0.049 25568 42 1 1 . 1 1 9 9 LYS C C 9 173.588 173.588 176.618 -3.030 25568 43 1 1 . 1 1 9 9 LYS CA C 9 57.251 57.251 58.171 -0.920 25568 44 1 1 . 1 1 9 9 LYS CB C 9 32.559 32.559 32.772 -0.213 25568 45 1 1 . 1 1 9 9 LYS H H 9 8.289 8.289 8.674 -0.385 25568 46 1 1 . 1 1 10 10 CYS N N 10 115.637 115.637 118.647 -3.010 25568 47 1 1 . 1 1 10 10 CYS HA H 10 5.000 5.000 4.872 0.128 25568 48 1 1 . 1 1 10 10 CYS C C 10 170.732 170.732 174.240 -3.508 25568 49 1 1 . 1 1 10 10 CYS CA C 10 53.609 53.609 57.101 -3.492 25568 50 1 1 . 1 1 10 10 CYS CB C 10 47.345 47.345 30.150 17.195 25568 51 1 1 . 1 1 10 10 CYS H H 10 8.131 8.131 8.529 -0.398 25568 52 1 1 . 1 1 11 11 LYS N N 11 119.567 119.567 121.891 -2.324 25568 53 1 1 . 1 1 11 11 LYS HA H 11 4.429 4.429 4.307 0.122 25568 54 1 1 . 1 1 11 11 LYS C C 11 174.737 174.737 175.985 -1.248 25568 55 1 1 . 1 1 11 11 LYS CA C 11 57.470 57.470 57.583 -0.113 25568 56 1 1 . 1 1 11 11 LYS CB C 11 34.015 34.015 33.033 0.982 25568 57 1 1 . 1 1 11 11 LYS H H 11 9.543 9.543 8.982 0.560 25568 58 1 1 . 1 1 12 12 ASN N N 12 115.051 115.051 114.543 0.508 25568 59 1 1 . 1 1 12 12 ASN HA H 12 4.723 4.723 4.838 -0.115 25568 60 1 1 . 1 1 12 12 ASN C C 12 174.896 174.896 175.050 -0.154 25568 61 1 1 . 1 1 12 12 ASN CA C 12 52.079 52.079 52.821 -0.742 25568 62 1 1 . 1 1 12 12 ASN CB C 12 40.935 40.935 40.906 0.029 25568 63 1 1 . 1 1 12 12 ASN H H 12 8.125 8.125 7.569 0.556 25568 64 1 1 . 1 1 13 13 SER N N 13 117.741 117.741 115.066 2.675 25568 65 1 1 . 1 1 13 13 SER HA H 13 4.116 4.116 4.510 -0.394 25568 66 1 1 . 1 1 13 13 SER C C 13 173.269 173.269 175.432 -2.163 25568 67 1 1 . 1 1 13 13 SER CA C 13 63.151 63.151 59.854 3.297 25568 68 1 1 . 1 1 13 13 SER CB C 13 62.968 62.968 63.577 -0.609 25568 69 1 1 . 1 1 13 13 SER H H 13 9.317 9.317 8.765 0.552 25568 70 1 1 . 1 1 14 14 ASN N N 14 119.511 119.511 118.533 0.978 25568 71 1 1 . 1 1 14 14 ASN HA H 14 4.648 4.648 4.625 0.023 25568 72 1 1 . 1 1 14 14 ASN C C 14 174.242 174.242 176.050 -1.808 25568 73 1 1 . 1 1 14 14 ASN CA C 14 55.139 55.139 54.738 0.401 25568 74 1 1 . 1 1 14 14 ASN CB C 14 37.439 37.439 37.975 -0.536 25568 75 1 1 . 1 1 14 14 ASN H H 14 8.579 8.579 8.311 0.268 25568 76 1 1 . 1 1 15 15 ASP N N 15 116.823 116.823 119.523 -2.700 25568 77 1 1 . 1 1 15 15 ASP HA H 15 4.687 4.687 4.628 0.059 25568 78 1 1 . 1 1 15 15 ASP C C 15 175.614 175.614 176.081 -0.467 25568 79 1 1 . 1 1 15 15 ASP CA C 15 55.721 55.721 55.523 0.198 25568 80 1 1 . 1 1 15 15 ASP CB C 15 42.465 42.465 41.695 0.770 25568 81 1 1 . 1 1 15 15 ASP H H 15 7.797 7.797 7.784 0.013 25568 82 1 1 . 1 1 16 16 CYS N N 16 118.609 118.609 117.966 0.643 25568 83 1 1 . 1 1 16 16 CYS HA H 16 5.083 5.083 4.420 0.663 25568 84 1 1 . 1 1 16 16 CYS C C 16 172.327 172.327 175.980 -3.653 25568 85 1 1 . 1 1 16 16 CYS CA C 16 53.682 53.682 60.228 -6.546 25568 86 1 1 . 1 1 16 16 CYS CB C 16 41.809 41.809 27.361 14.448 25568 87 1 1 . 1 1 16 16 CYS H H 16 7.816 7.816 7.669 0.147 25568 88 1 1 . 1 1 17 17 CYS N N 17 120.994 120.994 125.270 -4.276 25568 89 1 1 . 1 1 17 17 CYS HA H 17 4.511 4.511 4.331 0.180 25568 90 1 1 . 1 1 17 17 CYS C C 17 170.811 170.811 175.080 -4.269 25568 91 1 1 . 1 1 17 17 CYS CA C 17 54.483 54.483 60.744 -6.261 25568 92 1 1 . 1 1 17 17 CYS CB C 17 40.134 40.134 27.338 12.796 25568 93 1 1 . 1 1 17 17 CYS H H 17 9.560 9.560 8.592 0.968 25568 94 1 1 . 1 1 18 18 LYS N N 18 118.089 118.089 119.018 -0.929 25568 95 1 1 . 1 1 18 18 LYS HA H 18 4.052 4.052 4.382 -0.330 25568 96 1 1 . 1 1 18 18 LYS C C 18 174.322 174.322 175.054 -0.732 25568 97 1 1 . 1 1 18 18 LYS CA C 18 58.562 58.562 56.201 2.361 25568 98 1 1 . 1 1 18 18 LYS CB C 18 32.631 32.631 33.882 -1.251 25568 99 1 1 . 1 1 18 18 LYS H H 18 8.004 8.004 7.605 0.399 25568 100 1 1 . 1 1 19 19 ASP N N 19 116.375 116.375 119.921 -3.546 25568 101 1 1 . 1 1 19 19 ASP HA H 19 4.295 4.295 4.384 -0.089 25568 102 1 1 . 1 1 19 19 ASP C C 19 172.790 172.790 174.534 -1.744 25568 103 1 1 . 1 1 19 19 ASP CA C 19 56.741 56.741 55.401 1.339 25568 104 1 1 . 1 1 19 19 ASP CB C 19 38.677 38.677 39.922 -1.245 25568 105 1 1 . 1 1 19 19 ASP H H 19 8.715 8.715 8.620 0.095 25568 106 1 1 . 1 1 20 20 LEU N N 20 120.437 120.437 117.504 2.933 25568 107 1 1 . 1 1 20 20 LEU HA H 20 5.229 5.229 5.019 0.210 25568 108 1 1 . 1 1 20 20 LEU C C 20 173.971 173.971 176.501 -2.530 25568 109 1 1 . 1 1 20 20 LEU CA C 20 54.920 54.920 53.138 1.782 25568 110 1 1 . 1 1 20 20 LEU CB C 20 44.577 44.577 45.556 -0.979 25568 111 1 1 . 1 1 20 20 LEU H H 20 8.286 8.286 7.489 0.797 25568 112 1 1 . 1 1 21 21 VAL N N 21 112.441 112.441 115.963 -3.522 25568 113 1 1 . 1 1 21 21 VAL HA H 21 4.579 4.579 4.509 0.070 25568 114 1 1 . 1 1 21 21 VAL C C 21 172.790 172.790 175.095 -2.305 25568 115 1 1 . 1 1 21 21 VAL CA C 21 58.999 58.999 60.922 -1.923 25568 116 1 1 . 1 1 21 21 VAL CB C 21 35.836 35.836 34.753 1.083 25568 117 1 1 . 1 1 21 21 VAL H H 21 9.324 9.324 8.530 0.794 25568 118 1 1 . 1 1 22 22 CYS N N 22 121.656 121.656 126.781 -5.125 25568 119 1 1 . 1 1 22 22 CYS HA H 22 4.806 4.806 4.593 0.213 25568 120 1 1 . 1 1 22 22 CYS C C 22 173.348 173.348 175.468 -2.120 25568 121 1 1 . 1 1 22 22 CYS CA C 22 54.629 54.629 60.014 -5.385 25568 122 1 1 . 1 1 22 22 CYS CB C 22 39.843 39.843 25.350 14.493 25568 123 1 1 . 1 1 22 22 CYS H H 22 8.806 8.806 8.821 -0.015 25568 124 1 1 . 1 1 23 23 SER N N 23 124.577 124.577 124.239 0.338 25568 125 1 1 . 1 1 23 23 SER HA H 23 4.397 4.397 4.797 -0.400 25568 126 1 1 . 1 1 23 23 SER C C 23 175.215 175.215 174.266 0.949 25568 127 1 1 . 1 1 23 23 SER CA C 23 58.271 58.271 57.233 1.038 25568 128 1 1 . 1 1 23 23 SER CB C 23 63.442 63.442 65.433 -1.991 25568 129 1 1 . 1 1 23 23 SER H H 23 8.391 8.391 8.268 0.123 25568 130 1 1 . 1 1 24 24 SER N N 24 126.697 126.697 122.806 3.891 25568 131 1 1 . 1 1 24 24 SER HA H 24 4.129 4.129 4.204 -0.075 25568 132 1 1 . 1 1 24 24 SER C C 24 172.950 172.950 175.294 -2.344 25568 133 1 1 . 1 1 24 24 SER CA C 24 60.747 60.747 60.351 0.396 25568 134 1 1 . 1 1 24 24 SER CB C 24 62.430 62.430 63.209 -0.779 25568 135 1 1 . 1 1 24 24 SER H H 24 9.050 9.050 8.900 0.150 25568 136 1 1 . 1 1 25 25 ARG N N 25 120.375 120.375 120.702 -0.327 25568 137 1 1 . 1 1 25 25 ARG HA H 25 3.867 3.867 3.937 -0.070 25568 138 1 1 . 1 1 25 25 ARG C C 25 175.662 175.662 176.419 -0.757 25568 139 1 1 . 1 1 25 25 ARG CA C 25 57.542 57.542 57.555 -0.013 25568 140 1 1 . 1 1 25 25 ARG CB C 25 30.592 30.592 29.786 0.806 25568 141 1 1 . 1 1 25 25 ARG H H 25 7.499 7.499 7.918 -0.419 25568 142 1 1 . 1 1 26 26 TRP N N 26 115.667 115.667 117.868 -2.201 25568 143 1 1 . 1 1 26 26 TRP HA H 26 4.168 4.168 4.209 -0.041 25568 144 1 1 . 1 1 26 26 TRP C C 26 173.077 173.077 174.893 -1.816 25568 145 1 1 . 1 1 26 26 TRP CA C 26 56.158 56.158 56.010 0.148 25568 146 1 1 . 1 1 26 26 TRP CB C 26 28.553 28.553 29.057 -0.504 25568 147 1 1 . 1 1 26 26 TRP H H 26 7.098 7.098 7.224 -0.126 25568 148 1 1 . 1 1 27 27 LYS N N 27 112.484 112.484 112.943 -0.459 25568 149 1 1 . 1 1 27 27 LYS HA H 27 3.881 3.881 3.937 -0.056 25568 150 1 1 . 1 1 27 27 LYS C C 27 173.971 173.971 174.837 -0.866 25568 151 1 1 . 1 1 27 27 LYS CA C 27 56.287 56.287 57.420 -1.133 25568 152 1 1 . 1 1 27 27 LYS CB C 27 27.169 27.169 29.382 -2.213 25568 153 1 1 . 1 1 27 27 LYS H H 27 8.001 8.001 7.897 0.104 25568 154 1 1 . 1 1 28 28 TRP N N 28 110.998 110.998 113.836 -2.838 25568 155 1 1 . 1 1 28 28 TRP HA H 28 5.581 5.581 5.018 0.563 25568 156 1 1 . 1 1 28 28 TRP C C 28 175.710 175.710 174.972 0.738 25568 157 1 1 . 1 1 28 28 TRP CA C 28 55.284 55.284 55.311 -0.027 25568 158 1 1 . 1 1 28 28 TRP CB C 28 30.519 30.519 30.067 0.452 25568 159 1 1 . 1 1 28 28 TRP H H 28 6.947 6.947 7.627 -0.680 25568 160 1 1 . 1 1 29 29 CYS N N 29 121.176 121.176 121.539 -0.363 25568 161 1 1 . 1 1 29 29 CYS HA H 29 5.254 5.254 5.056 0.198 25568 162 1 1 . 1 1 29 29 CYS C C 29 173.157 173.157 175.072 -1.915 25568 163 1 1 . 1 1 29 29 CYS CA C 29 56.596 56.596 61.080 -4.484 25568 164 1 1 . 1 1 29 29 CYS CB C 29 41.518 41.518 26.223 15.295 25568 165 1 1 . 1 1 29 29 CYS H H 29 9.113 9.113 8.759 0.354 25568 166 1 1 . 1 1 30 30 VAL N N 30 117.187 117.187 120.700 -3.513 25568 167 1 1 . 1 1 30 30 VAL HA H 30 5.139 5.139 5.025 0.114 25568 168 1 1 . 1 1 30 30 VAL C C 30 173.269 173.269 174.769 -1.500 25568 169 1 1 . 1 1 30 30 VAL CA C 30 59.800 59.800 59.981 -0.181 25568 170 1 1 . 1 1 30 30 VAL CB C 30 35.909 35.909 35.310 0.599 25568 171 1 1 . 1 1 30 30 VAL H H 30 9.923 9.923 9.050 0.873 25568 172 1 1 . 1 1 31 31 LEU N N 31 120.354 120.354 124.636 -4.282 25568 173 1 1 . 1 1 31 31 LEU HA H 31 4.406 4.406 4.259 0.147 25568 174 1 1 . 1 1 31 31 LEU C C 31 176.285 176.285 177.507 -1.222 25568 175 1 1 . 1 1 31 31 LEU CA C 31 56.668 56.668 54.892 1.776 25568 176 1 1 . 1 1 31 31 LEU CB C 31 41.882 41.882 40.033 1.849 25568 177 1 1 . 1 1 31 31 LEU H H 31 8.331 8.331 8.722 -0.391 25568 178 1 1 . 1 1 32 32 ALA N N 32 124.391 124.391 129.762 -5.371 25568 179 1 1 . 1 1 32 32 ALA HA H 32 4.201 4.201 4.196 0.005 25568 180 1 1 . 1 1 32 32 ALA C C 32 175.758 175.758 177.390 -1.632 25568 181 1 1 . 1 1 32 32 ALA CA C 32 52.881 52.881 52.433 0.448 25568 182 1 1 . 1 1 32 32 ALA CB C 32 19.229 19.229 19.319 -0.090 25568 183 1 1 . 1 1 32 32 ALA H H 32 8.366 8.366 8.186 0.180 25568 184 1 1 . 1 1 33 33 SER N N 33 115.562 115.562 116.832 -1.270 25568 185 1 1 . 1 1 33 33 SER HA H 33 4.763 4.763 4.665 0.098 25568 186 1 1 . 1 1 33 33 SER CA C 33 56.062 56.062 56.598 -0.536 25568 187 1 1 . 1 1 33 33 SER CB C 33 63.765 63.765 63.924 -0.159 25568 188 1 1 . 1 1 33 33 SER H H 33 8.188 8.188 8.317 -0.129 25568 189 1 1 . 1 1 34 34 PRO HA H 34 4.387 4.387 4.503 -0.116 25568 190 1 1 . 1 1 34 34 PRO C C 34 173.907 173.907 176.363 -2.456 25568 191 1 1 . 1 1 34 34 PRO CA C 34 63.667 63.667 64.452 -0.785 25568 192 1 1 . 1 1 34 34 PRO CB C 34 31.736 31.736 32.211 -0.474 25568 193 1 2 . 1 1 2 2 GLU N N 2 121.648 121.648 120.902 0.746 25568 194 1 2 . 1 1 2 2 GLU HA H 2 4.501 4.501 4.404 0.097 25568 195 1 2 . 1 1 2 2 GLU C C 2 173.747 173.747 176.029 -2.282 25568 196 1 2 . 1 1 2 2 GLU CA C 2 56.086 56.086 56.618 -0.532 25568 197 1 2 . 1 1 2 2 GLU CB C 2 30.592 30.592 30.248 0.344 25568 198 1 2 . 1 1 2 2 GLU H H 2 8.802 8.802 8.510 0.292 25568 199 1 2 . 1 1 3 3 CYS N N 3 119.267 119.267 116.649 2.618 25568 200 1 2 . 1 1 3 3 CYS HA H 3 4.568 4.568 4.739 -0.171 25568 201 1 2 . 1 1 3 3 CYS C C 3 171.833 171.833 174.771 -2.938 25568 202 1 2 . 1 1 3 3 CYS CA C 3 54.337 54.337 57.103 -2.766 25568 203 1 2 . 1 1 3 3 CYS CB C 3 41.809 41.809 30.046 11.763 25568 204 1 2 . 1 1 3 3 CYS H H 3 8.252 8.252 8.152 0.100 25568 205 1 2 . 1 1 4 4 GLY N N 4 107.188 107.188 107.715 -0.527 25568 206 1 2 . 1 1 4 4 GLY CA C 4 46.766 46.766 45.509 1.257 25568 207 1 2 . 1 1 4 4 GLY H H 4 8.642 8.642 8.454 0.188 25568 208 1 2 . 1 1 5 5 LYS N N 5 124.281 124.281 116.592 7.689 25568 209 1 2 . 1 1 5 5 LYS HA H 5 3.978 3.978 4.105 -0.127 25568 210 1 2 . 1 1 5 5 LYS C C 5 172.710 172.710 174.259 -1.549 25568 211 1 2 . 1 1 5 5 LYS CA C 5 54.483 54.483 54.856 -0.373 25568 212 1 2 . 1 1 5 5 LYS CB C 5 32.688 32.688 34.310 -1.622 25568 213 1 2 . 1 1 5 5 LYS H H 5 5.250 5.250 8.056 -2.806 25568 214 1 2 . 1 1 6 6 PHE N N 6 119.437 119.437 120.494 -1.057 25568 215 1 2 . 1 1 6 6 PHE HA H 6 4.077 4.077 4.325 -0.248 25568 216 1 2 . 1 1 6 6 PHE C C 6 174.609 174.609 175.821 -1.212 25568 217 1 2 . 1 1 6 6 PHE CA C 6 59.363 59.363 59.479 -0.116 25568 218 1 2 . 1 1 6 6 PHE CB C 6 38.968 38.968 39.350 -0.382 25568 219 1 2 . 1 1 6 6 PHE H H 6 8.141 8.141 8.203 -0.062 25568 220 1 2 . 1 1 7 7 MET N N 7 118.789 118.789 120.435 -1.646 25568 221 1 2 . 1 1 7 7 MET HA H 7 2.968 2.968 2.840 0.128 25568 222 1 2 . 1 1 7 7 MET C C 7 174.035 174.035 174.160 -0.125 25568 223 1 2 . 1 1 7 7 MET CA C 7 58.125 58.125 56.179 1.946 25568 224 1 2 . 1 1 7 7 MET CB C 7 29.062 29.062 29.876 -0.814 25568 225 1 2 . 1 1 7 7 MET H H 7 9.152 9.152 8.239 0.913 25568 226 1 2 . 1 1 8 8 TRP N N 8 122.588 122.588 120.284 2.304 25568 227 1 2 . 1 1 8 8 TRP HA H 8 4.626 4.626 4.692 -0.066 25568 228 1 2 . 1 1 8 8 TRP C C 8 174.497 174.497 176.166 -1.669 25568 229 1 2 . 1 1 8 8 TRP CA C 8 57.397 57.397 54.820 2.577 25568 230 1 2 . 1 1 8 8 TRP CB C 8 28.697 28.697 30.165 -1.468 25568 231 1 2 . 1 1 8 8 TRP H H 8 8.796 8.796 7.468 1.328 25568 232 1 2 . 1 1 9 9 LYS N N 9 121.982 121.982 123.914 -1.932 25568 233 1 2 . 1 1 9 9 LYS HA H 9 4.639 4.639 4.590 0.049 25568 234 1 2 . 1 1 9 9 LYS C C 9 173.588 173.588 176.606 -3.018 25568 235 1 2 . 1 1 9 9 LYS CA C 9 57.251 57.251 58.177 -0.926 25568 236 1 2 . 1 1 9 9 LYS CB C 9 32.559 32.559 32.795 -0.236 25568 237 1 2 . 1 1 9 9 LYS H H 9 8.289 8.289 8.674 -0.385 25568 238 1 2 . 1 1 10 10 CYS N N 10 115.637 115.637 119.635 -3.998 25568 239 1 2 . 1 1 10 10 CYS HA H 10 5.000 5.000 4.905 0.095 25568 240 1 2 . 1 1 10 10 CYS C C 10 170.732 170.732 174.183 -3.451 25568 241 1 2 . 1 1 10 10 CYS CA C 10 53.609 53.609 56.906 -3.297 25568 242 1 2 . 1 1 10 10 CYS CB C 10 47.345 47.345 30.494 16.851 25568 243 1 2 . 1 1 10 10 CYS H H 10 8.131 8.131 8.626 -0.495 25568 244 1 2 . 1 1 11 11 LYS N N 11 119.567 119.567 120.867 -1.300 25568 245 1 2 . 1 1 11 11 LYS HA H 11 4.429 4.429 4.247 0.182 25568 246 1 2 . 1 1 11 11 LYS C C 11 174.737 174.737 175.574 -0.837 25568 247 1 2 . 1 1 11 11 LYS CA C 11 57.470 57.470 57.856 -0.386 25568 248 1 2 . 1 1 11 11 LYS CB C 11 34.015 34.015 32.684 1.331 25568 249 1 2 . 1 1 11 11 LYS H H 11 9.543 9.543 8.961 0.582 25568 250 1 2 . 1 1 12 12 ASN N N 12 115.051 115.051 115.877 -0.826 25568 251 1 2 . 1 1 12 12 ASN HA H 12 4.723 4.723 4.762 -0.039 25568 252 1 2 . 1 1 12 12 ASN C C 12 174.896 174.896 174.731 0.165 25568 253 1 2 . 1 1 12 12 ASN CA C 12 52.079 52.079 51.915 0.164 25568 254 1 2 . 1 1 12 12 ASN CB C 12 40.935 40.935 39.218 1.717 25568 255 1 2 . 1 1 12 12 ASN H H 12 8.125 8.125 7.575 0.550 25568 256 1 2 . 1 1 13 13 SER N N 13 117.741 117.741 113.832 3.909 25568 257 1 2 . 1 1 13 13 SER HA H 13 4.116 4.116 4.392 -0.276 25568 258 1 2 . 1 1 13 13 SER C C 13 173.269 173.269 174.783 -1.514 25568 259 1 2 . 1 1 13 13 SER CA C 13 63.151 63.151 59.642 3.509 25568 260 1 2 . 1 1 13 13 SER CB C 13 62.968 62.968 63.285 -0.317 25568 261 1 2 . 1 1 13 13 SER H H 13 9.317 9.317 8.690 0.627 25568 262 1 2 . 1 1 14 14 ASN N N 14 119.511 119.511 119.455 0.056 25568 263 1 2 . 1 1 14 14 ASN HA H 14 4.648 4.648 4.599 0.049 25568 264 1 2 . 1 1 14 14 ASN C C 14 174.242 174.242 176.102 -1.860 25568 265 1 2 . 1 1 14 14 ASN CA C 14 55.139 55.139 54.813 0.326 25568 266 1 2 . 1 1 14 14 ASN CB C 14 37.439 37.439 37.881 -0.442 25568 267 1 2 . 1 1 14 14 ASN H H 14 8.579 8.579 8.244 0.335 25568 268 1 2 . 1 1 15 15 ASP N N 15 116.823 116.823 119.410 -2.587 25568 269 1 2 . 1 1 15 15 ASP HA H 15 4.687 4.687 4.618 0.069 25568 270 1 2 . 1 1 15 15 ASP C C 15 175.614 175.614 175.989 -0.375 25568 271 1 2 . 1 1 15 15 ASP CA C 15 55.721 55.721 55.723 -0.002 25568 272 1 2 . 1 1 15 15 ASP CB C 15 42.465 42.465 41.739 0.726 25568 273 1 2 . 1 1 15 15 ASP H H 15 7.797 7.797 7.925 -0.128 25568 274 1 2 . 1 1 16 16 CYS N N 16 118.609 118.609 117.855 0.754 25568 275 1 2 . 1 1 16 16 CYS HA H 16 5.083 5.083 4.419 0.664 25568 276 1 2 . 1 1 16 16 CYS C C 16 172.327 172.327 175.962 -3.635 25568 277 1 2 . 1 1 16 16 CYS CA C 16 53.682 53.682 60.183 -6.501 25568 278 1 2 . 1 1 16 16 CYS CB C 16 41.809 41.809 27.307 14.502 25568 279 1 2 . 1 1 16 16 CYS H H 16 7.816 7.816 7.654 0.162 25568 280 1 2 . 1 1 17 17 CYS N N 17 120.994 120.994 125.188 -4.194 25568 281 1 2 . 1 1 17 17 CYS HA H 17 4.511 4.511 4.333 0.178 25568 282 1 2 . 1 1 17 17 CYS C C 17 170.811 170.811 175.084 -4.273 25568 283 1 2 . 1 1 17 17 CYS CA C 17 54.483 54.483 60.731 -6.248 25568 284 1 2 . 1 1 17 17 CYS CB C 17 40.134 40.134 27.328 12.806 25568 285 1 2 . 1 1 17 17 CYS H H 17 9.560 9.560 8.587 0.973 25568 286 1 2 . 1 1 18 18 LYS N N 18 118.089 118.089 118.600 -0.511 25568 287 1 2 . 1 1 18 18 LYS HA H 18 4.052 4.052 4.357 -0.305 25568 288 1 2 . 1 1 18 18 LYS C C 18 174.322 174.322 175.085 -0.763 25568 289 1 2 . 1 1 18 18 LYS CA C 18 58.562 58.562 56.262 2.300 25568 290 1 2 . 1 1 18 18 LYS CB C 18 32.631 32.631 33.726 -1.095 25568 291 1 2 . 1 1 18 18 LYS H H 18 8.004 8.004 7.527 0.477 25568 292 1 2 . 1 1 19 19 ASP N N 19 116.375 116.375 119.826 -3.451 25568 293 1 2 . 1 1 19 19 ASP HA H 19 4.295 4.295 4.287 0.008 25568 294 1 2 . 1 1 19 19 ASP C C 19 172.790 172.790 174.589 -1.799 25568 295 1 2 . 1 1 19 19 ASP CA C 19 56.741 56.741 55.297 1.444 25568 296 1 2 . 1 1 19 19 ASP CB C 19 38.677 38.677 40.868 -2.191 25568 297 1 2 . 1 1 19 19 ASP H H 19 8.715 8.715 8.606 0.109 25568 298 1 2 . 1 1 20 20 LEU N N 20 120.437 120.437 117.142 3.295 25568 299 1 2 . 1 1 20 20 LEU HA H 20 5.229 5.229 4.980 0.249 25568 300 1 2 . 1 1 20 20 LEU C C 20 173.971 173.971 176.187 -2.216 25568 301 1 2 . 1 1 20 20 LEU CA C 20 54.920 54.920 52.920 2.000 25568 302 1 2 . 1 1 20 20 LEU CB C 20 44.577 44.577 45.742 -1.165 25568 303 1 2 . 1 1 20 20 LEU H H 20 8.286 8.286 7.527 0.759 25568 304 1 2 . 1 1 21 21 VAL N N 21 112.441 112.441 116.149 -3.708 25568 305 1 2 . 1 1 21 21 VAL HA H 21 4.579 4.579 4.520 0.059 25568 306 1 2 . 1 1 21 21 VAL C C 21 172.790 172.790 174.730 -1.940 25568 307 1 2 . 1 1 21 21 VAL CA C 21 58.999 58.999 60.290 -1.291 25568 308 1 2 . 1 1 21 21 VAL CB C 21 35.836 35.836 34.053 1.783 25568 309 1 2 . 1 1 21 21 VAL H H 21 9.324 9.324 8.627 0.697 25568 310 1 2 . 1 1 22 22 CYS N N 22 121.656 121.656 127.156 -5.500 25568 311 1 2 . 1 1 22 22 CYS HA H 22 4.806 4.806 4.517 0.289 25568 312 1 2 . 1 1 22 22 CYS C C 22 173.348 173.348 175.301 -1.953 25568 313 1 2 . 1 1 22 22 CYS CA C 22 54.629 54.629 59.713 -5.084 25568 314 1 2 . 1 1 22 22 CYS CB C 22 39.843 39.843 25.222 14.621 25568 315 1 2 . 1 1 22 22 CYS H H 22 8.806 8.806 8.802 0.004 25568 316 1 2 . 1 1 23 23 SER N N 23 124.577 124.577 124.659 -0.082 25568 317 1 2 . 1 1 23 23 SER HA H 23 4.397 4.397 4.712 -0.315 25568 318 1 2 . 1 1 23 23 SER C C 23 175.215 175.215 174.195 1.020 25568 319 1 2 . 1 1 23 23 SER CA C 23 58.271 58.271 57.966 0.305 25568 320 1 2 . 1 1 23 23 SER CB C 23 63.442 63.442 64.918 -1.476 25568 321 1 2 . 1 1 23 23 SER H H 23 8.391 8.391 8.268 0.123 25568 322 1 2 . 1 1 24 24 SER N N 24 126.697 126.697 122.373 4.324 25568 323 1 2 . 1 1 24 24 SER HA H 24 4.129 4.129 4.127 0.002 25568 324 1 2 . 1 1 24 24 SER C C 24 172.950 172.950 175.052 -2.102 25568 325 1 2 . 1 1 24 24 SER CA C 24 60.747 60.747 60.058 0.689 25568 326 1 2 . 1 1 24 24 SER CB C 24 62.430 62.430 63.211 -0.781 25568 327 1 2 . 1 1 24 24 SER H H 24 9.050 9.050 8.946 0.104 25568 328 1 2 . 1 1 25 25 ARG N N 25 120.375 120.375 119.900 0.475 25568 329 1 2 . 1 1 25 25 ARG HA H 25 3.867 3.867 3.919 -0.052 25568 330 1 2 . 1 1 25 25 ARG C C 25 175.662 175.662 176.607 -0.945 25568 331 1 2 . 1 1 25 25 ARG CA C 25 57.542 57.542 57.816 -0.274 25568 332 1 2 . 1 1 25 25 ARG CB C 25 30.592 30.592 29.623 0.969 25568 333 1 2 . 1 1 25 25 ARG H H 25 7.499 7.499 8.123 -0.624 25568 334 1 2 . 1 1 26 26 TRP N N 26 115.667 115.667 117.497 -1.830 25568 335 1 2 . 1 1 26 26 TRP HA H 26 4.168 4.168 4.200 -0.032 25568 336 1 2 . 1 1 26 26 TRP C C 26 173.077 173.077 175.135 -2.058 25568 337 1 2 . 1 1 26 26 TRP CA C 26 56.158 56.158 56.169 -0.011 25568 338 1 2 . 1 1 26 26 TRP CB C 26 28.553 28.553 29.198 -0.645 25568 339 1 2 . 1 1 26 26 TRP H H 26 7.098 7.098 7.179 -0.081 25568 340 1 2 . 1 1 27 27 LYS N N 27 112.484 112.484 112.929 -0.445 25568 341 1 2 . 1 1 27 27 LYS HA H 27 3.881 3.881 3.934 -0.053 25568 342 1 2 . 1 1 27 27 LYS C C 27 173.971 173.971 174.826 -0.855 25568 343 1 2 . 1 1 27 27 LYS CA C 27 56.287 56.287 57.447 -1.159 25568 344 1 2 . 1 1 27 27 LYS CB C 27 27.169 27.169 29.423 -2.254 25568 345 1 2 . 1 1 27 27 LYS H H 27 8.001 8.001 7.901 0.100 25568 346 1 2 . 1 1 28 28 TRP N N 28 110.998 110.998 113.848 -2.850 25568 347 1 2 . 1 1 28 28 TRP HA H 28 5.581 5.581 5.016 0.565 25568 348 1 2 . 1 1 28 28 TRP C C 28 175.710 175.710 174.990 0.720 25568 349 1 2 . 1 1 28 28 TRP CA C 28 55.284 55.284 55.311 -0.027 25568 350 1 2 . 1 1 28 28 TRP CB C 28 30.519 30.519 30.072 0.447 25568 351 1 2 . 1 1 28 28 TRP H H 28 6.947 6.947 7.631 -0.684 25568 352 1 2 . 1 1 29 29 CYS N N 29 121.176 121.176 121.712 -0.536 25568 353 1 2 . 1 1 29 29 CYS HA H 29 5.254 5.254 5.066 0.188 25568 354 1 2 . 1 1 29 29 CYS C C 29 173.157 173.157 175.209 -2.052 25568 355 1 2 . 1 1 29 29 CYS CA C 29 56.596 56.596 60.568 -3.971 25568 356 1 2 . 1 1 29 29 CYS CB C 29 41.518 41.518 26.447 15.071 25568 357 1 2 . 1 1 29 29 CYS H H 29 9.113 9.113 8.751 0.362 25568 358 1 2 . 1 1 30 30 VAL N N 30 117.187 117.187 119.296 -2.109 25568 359 1 2 . 1 1 30 30 VAL HA H 30 5.139 5.139 5.096 0.043 25568 360 1 2 . 1 1 30 30 VAL C C 30 173.269 173.269 174.892 -1.623 25568 361 1 2 . 1 1 30 30 VAL CA C 30 59.800 59.800 59.817 -0.017 25568 362 1 2 . 1 1 30 30 VAL CB C 30 35.909 35.909 35.367 0.542 25568 363 1 2 . 1 1 30 30 VAL H H 30 9.923 9.923 9.089 0.834 25568 364 1 2 . 1 1 31 31 LEU N N 31 120.354 120.354 123.830 -3.476 25568 365 1 2 . 1 1 31 31 LEU HA H 31 4.406 4.406 4.226 0.180 25568 366 1 2 . 1 1 31 31 LEU C C 31 176.285 176.285 177.443 -1.158 25568 367 1 2 . 1 1 31 31 LEU CA C 31 56.668 56.668 54.985 1.683 25568 368 1 2 . 1 1 31 31 LEU CB C 31 41.882 41.882 39.887 1.995 25568 369 1 2 . 1 1 31 31 LEU H H 31 8.331 8.331 8.684 -0.353 25568 370 1 2 . 1 1 32 32 ALA N N 32 124.391 124.391 129.727 -5.336 25568 371 1 2 . 1 1 32 32 ALA HA H 32 4.201 4.201 4.182 0.019 25568 372 1 2 . 1 1 32 32 ALA C C 32 175.758 175.758 177.437 -1.679 25568 373 1 2 . 1 1 32 32 ALA CA C 32 52.881 52.881 52.282 0.598 25568 374 1 2 . 1 1 32 32 ALA CB C 32 19.229 19.229 19.414 -0.185 25568 375 1 2 . 1 1 32 32 ALA H H 32 8.366 8.366 8.027 0.339 25568 376 1 2 . 1 1 33 33 SER N N 33 115.562 115.562 117.999 -2.437 25568 377 1 2 . 1 1 33 33 SER HA H 33 4.763 4.763 4.472 0.291 25568 378 1 2 . 1 1 33 33 SER CA C 33 56.062 56.062 57.678 -1.616 25568 379 1 2 . 1 1 33 33 SER CB C 33 63.765 63.765 63.258 0.507 25568 380 1 2 . 1 1 33 33 SER H H 33 8.188 8.188 8.408 -0.220 25568 381 1 2 . 1 1 34 34 PRO HA H 34 4.387 4.387 4.520 -0.133 25568 382 1 2 . 1 1 34 34 PRO C C 34 173.907 173.907 176.630 -2.723 25568 383 1 2 . 1 1 34 34 PRO CA C 34 63.667 63.667 64.322 -0.655 25568 384 1 2 . 1 1 34 34 PRO CB C 34 31.736 31.736 32.201 -0.465 25568 385 1 3 . 1 1 2 2 GLU N N 2 121.648 121.648 121.742 -0.094 25568 386 1 3 . 1 1 2 2 GLU HA H 2 4.501 4.501 4.440 0.061 25568 387 1 3 . 1 1 2 2 GLU C C 2 173.747 173.747 176.135 -2.388 25568 388 1 3 . 1 1 2 2 GLU CA C 2 56.086 56.086 56.395 -0.309 25568 389 1 3 . 1 1 2 2 GLU CB C 2 30.592 30.592 30.328 0.264 25568 390 1 3 . 1 1 2 2 GLU H H 2 8.802 8.802 8.507 0.295 25568 391 1 3 . 1 1 3 3 CYS N N 3 119.267 119.267 117.272 1.995 25568 392 1 3 . 1 1 3 3 CYS HA H 3 4.568 4.568 4.778 -0.210 25568 393 1 3 . 1 1 3 3 CYS C C 3 171.833 171.833 174.849 -3.016 25568 394 1 3 . 1 1 3 3 CYS CA C 3 54.337 54.337 57.331 -2.994 25568 395 1 3 . 1 1 3 3 CYS CB C 3 41.809 41.809 29.753 12.056 25568 396 1 3 . 1 1 3 3 CYS H H 3 8.252 8.252 8.232 0.020 25568 397 1 3 . 1 1 4 4 GLY N N 4 107.188 107.188 107.684 -0.496 25568 398 1 3 . 1 1 4 4 GLY CA C 4 46.766 46.766 45.472 1.294 25568 399 1 3 . 1 1 4 4 GLY H H 4 8.642 8.642 8.545 0.097 25568 400 1 3 . 1 1 5 5 LYS N N 5 124.281 124.281 117.063 7.218 25568 401 1 3 . 1 1 5 5 LYS HA H 5 3.978 3.978 4.081 -0.103 25568 402 1 3 . 1 1 5 5 LYS C C 5 172.710 172.710 174.244 -1.534 25568 403 1 3 . 1 1 5 5 LYS CA C 5 54.483 54.483 54.882 -0.399 25568 404 1 3 . 1 1 5 5 LYS CB C 5 32.688 32.688 33.772 -1.084 25568 405 1 3 . 1 1 5 5 LYS H H 5 5.250 5.250 7.930 -2.680 25568 406 1 3 . 1 1 6 6 PHE N N 6 119.437 119.437 120.492 -1.055 25568 407 1 3 . 1 1 6 6 PHE HA H 6 4.077 4.077 4.325 -0.248 25568 408 1 3 . 1 1 6 6 PHE C C 6 174.609 174.609 175.821 -1.212 25568 409 1 3 . 1 1 6 6 PHE CA C 6 59.363 59.363 59.455 -0.092 25568 410 1 3 . 1 1 6 6 PHE CB C 6 38.968 38.968 39.349 -0.381 25568 411 1 3 . 1 1 6 6 PHE H H 6 8.141 8.141 8.203 -0.062 25568 412 1 3 . 1 1 7 7 MET N N 7 118.789 118.789 120.415 -1.626 25568 413 1 3 . 1 1 7 7 MET HA H 7 2.968 2.968 2.847 0.121 25568 414 1 3 . 1 1 7 7 MET C C 7 174.035 174.035 174.162 -0.127 25568 415 1 3 . 1 1 7 7 MET CA C 7 58.125 58.125 56.185 1.940 25568 416 1 3 . 1 1 7 7 MET CB C 7 29.062 29.062 29.863 -0.801 25568 417 1 3 . 1 1 7 7 MET H H 7 9.152 9.152 8.266 0.886 25568 418 1 3 . 1 1 8 8 TRP N N 8 122.588 122.588 120.292 2.296 25568 419 1 3 . 1 1 8 8 TRP HA H 8 4.626 4.626 4.690 -0.064 25568 420 1 3 . 1 1 8 8 TRP C C 8 174.497 174.497 176.159 -1.662 25568 421 1 3 . 1 1 8 8 TRP CA C 8 57.397 57.397 54.811 2.586 25568 422 1 3 . 1 1 8 8 TRP CB C 8 28.697 28.697 30.167 -1.470 25568 423 1 3 . 1 1 8 8 TRP H H 8 8.796 8.796 7.470 1.326 25568 424 1 3 . 1 1 9 9 LYS N N 9 121.982 121.982 124.012 -2.030 25568 425 1 3 . 1 1 9 9 LYS HA H 9 4.639 4.639 4.598 0.041 25568 426 1 3 . 1 1 9 9 LYS C C 9 173.588 173.588 176.749 -3.161 25568 427 1 3 . 1 1 9 9 LYS CA C 9 57.251 57.251 58.166 -0.915 25568 428 1 3 . 1 1 9 9 LYS CB C 9 32.559 32.559 32.751 -0.192 25568 429 1 3 . 1 1 9 9 LYS H H 9 8.289 8.289 8.674 -0.385 25568 430 1 3 . 1 1 10 10 CYS N N 10 115.637 115.637 119.964 -4.327 25568 431 1 3 . 1 1 10 10 CYS HA H 10 5.000 5.000 4.877 0.123 25568 432 1 3 . 1 1 10 10 CYS C C 10 170.732 170.732 174.547 -3.815 25568 433 1 3 . 1 1 10 10 CYS CA C 10 53.609 53.609 56.412 -2.803 25568 434 1 3 . 1 1 10 10 CYS CB C 10 47.345 47.345 30.610 16.735 25568 435 1 3 . 1 1 10 10 CYS H H 10 8.131 8.131 8.588 -0.457 25568 436 1 3 . 1 1 11 11 LYS N N 11 119.567 119.567 120.900 -1.333 25568 437 1 3 . 1 1 11 11 LYS HA H 11 4.429 4.429 4.253 0.176 25568 438 1 3 . 1 1 11 11 LYS C C 11 174.737 174.737 175.856 -1.119 25568 439 1 3 . 1 1 11 11 LYS CA C 11 57.470 57.470 57.645 -0.175 25568 440 1 3 . 1 1 11 11 LYS CB C 11 34.015 34.015 32.863 1.152 25568 441 1 3 . 1 1 11 11 LYS H H 11 9.543 9.543 8.835 0.708 25568 442 1 3 . 1 1 12 12 ASN N N 12 115.051 115.051 115.615 -0.564 25568 443 1 3 . 1 1 12 12 ASN HA H 12 4.723 4.723 4.803 -0.080 25568 444 1 3 . 1 1 12 12 ASN C C 12 174.896 174.896 175.154 -0.258 25568 445 1 3 . 1 1 12 12 ASN CA C 12 52.079 52.079 52.616 -0.537 25568 446 1 3 . 1 1 12 12 ASN CB C 12 40.935 40.935 41.544 -0.609 25568 447 1 3 . 1 1 12 12 ASN H H 12 8.125 8.125 7.728 0.397 25568 448 1 3 . 1 1 13 13 SER N N 13 117.741 117.741 115.867 1.874 25568 449 1 3 . 1 1 13 13 SER HA H 13 4.116 4.116 4.474 -0.358 25568 450 1 3 . 1 1 13 13 SER C C 13 173.269 173.269 175.100 -1.831 25568 451 1 3 . 1 1 13 13 SER CA C 13 63.151 63.151 60.435 2.716 25568 452 1 3 . 1 1 13 13 SER CB C 13 62.968 62.968 63.234 -0.266 25568 453 1 3 . 1 1 13 13 SER H H 13 9.317 9.317 8.753 0.564 25568 454 1 3 . 1 1 14 14 ASN N N 14 119.511 119.511 119.558 -0.047 25568 455 1 3 . 1 1 14 14 ASN HA H 14 4.648 4.648 4.625 0.023 25568 456 1 3 . 1 1 14 14 ASN C C 14 174.242 174.242 176.214 -1.972 25568 457 1 3 . 1 1 14 14 ASN CA C 14 55.139 55.139 55.091 0.048 25568 458 1 3 . 1 1 14 14 ASN CB C 14 37.439 37.439 38.193 -0.754 25568 459 1 3 . 1 1 14 14 ASN H H 14 8.579 8.579 8.259 0.320 25568 460 1 3 . 1 1 15 15 ASP N N 15 116.823 116.823 119.714 -2.891 25568 461 1 3 . 1 1 15 15 ASP HA H 15 4.687 4.687 4.642 0.045 25568 462 1 3 . 1 1 15 15 ASP C C 15 175.614 175.614 176.073 -0.459 25568 463 1 3 . 1 1 15 15 ASP CA C 15 55.721 55.721 56.160 -0.438 25568 464 1 3 . 1 1 15 15 ASP CB C 15 42.465 42.465 41.701 0.764 25568 465 1 3 . 1 1 15 15 ASP H H 15 7.797 7.797 7.729 0.068 25568 466 1 3 . 1 1 16 16 CYS N N 16 118.609 118.609 117.218 1.391 25568 467 1 3 . 1 1 16 16 CYS HA H 16 5.083 5.083 4.463 0.620 25568 468 1 3 . 1 1 16 16 CYS C C 16 172.327 172.327 176.090 -3.763 25568 469 1 3 . 1 1 16 16 CYS CA C 16 53.682 53.682 60.517 -6.835 25568 470 1 3 . 1 1 16 16 CYS CB C 16 41.809 41.809 27.402 14.407 25568 471 1 3 . 1 1 16 16 CYS H H 16 7.816 7.816 7.605 0.211 25568 472 1 3 . 1 1 17 17 CYS N N 17 120.994 120.994 125.317 -4.323 25568 473 1 3 . 1 1 17 17 CYS HA H 17 4.511 4.511 4.333 0.178 25568 474 1 3 . 1 1 17 17 CYS C C 17 170.811 170.811 175.068 -4.257 25568 475 1 3 . 1 1 17 17 CYS CA C 17 54.483 54.483 60.748 -6.265 25568 476 1 3 . 1 1 17 17 CYS CB C 17 40.134 40.134 27.344 12.790 25568 477 1 3 . 1 1 17 17 CYS H H 17 9.560 9.560 8.601 0.959 25568 478 1 3 . 1 1 18 18 LYS N N 18 118.089 118.089 119.050 -0.961 25568 479 1 3 . 1 1 18 18 LYS HA H 18 4.052 4.052 4.388 -0.336 25568 480 1 3 . 1 1 18 18 LYS C C 18 174.322 174.322 175.081 -0.759 25568 481 1 3 . 1 1 18 18 LYS CA C 18 58.562 58.562 56.181 2.381 25568 482 1 3 . 1 1 18 18 LYS CB C 18 32.631 32.631 33.912 -1.281 25568 483 1 3 . 1 1 18 18 LYS H H 18 8.004 8.004 7.620 0.384 25568 484 1 3 . 1 1 19 19 ASP N N 19 116.375 116.375 119.980 -3.605 25568 485 1 3 . 1 1 19 19 ASP HA H 19 4.295 4.295 4.377 -0.082 25568 486 1 3 . 1 1 19 19 ASP C C 19 172.790 172.790 174.515 -1.725 25568 487 1 3 . 1 1 19 19 ASP CA C 19 56.741 56.741 55.419 1.322 25568 488 1 3 . 1 1 19 19 ASP CB C 19 38.677 38.677 39.966 -1.289 25568 489 1 3 . 1 1 19 19 ASP H H 19 8.715 8.715 8.616 0.099 25568 490 1 3 . 1 1 20 20 LEU N N 20 120.437 120.437 117.929 2.508 25568 491 1 3 . 1 1 20 20 LEU HA H 20 5.229 5.229 5.012 0.217 25568 492 1 3 . 1 1 20 20 LEU C C 20 173.971 173.971 176.455 -2.484 25568 493 1 3 . 1 1 20 20 LEU CA C 20 54.920 54.920 53.039 1.881 25568 494 1 3 . 1 1 20 20 LEU CB C 20 44.577 44.577 45.552 -0.975 25568 495 1 3 . 1 1 20 20 LEU H H 20 8.286 8.286 7.571 0.715 25568 496 1 3 . 1 1 21 21 VAL N N 21 112.441 112.441 116.559 -4.118 25568 497 1 3 . 1 1 21 21 VAL HA H 21 4.579 4.579 4.519 0.060 25568 498 1 3 . 1 1 21 21 VAL C C 21 172.790 172.790 174.815 -2.025 25568 499 1 3 . 1 1 21 21 VAL CA C 21 58.999 58.999 60.095 -1.096 25568 500 1 3 . 1 1 21 21 VAL CB C 21 35.836 35.836 33.979 1.857 25568 501 1 3 . 1 1 21 21 VAL H H 21 9.324 9.324 8.618 0.706 25568 502 1 3 . 1 1 22 22 CYS N N 22 121.656 121.656 127.201 -5.545 25568 503 1 3 . 1 1 22 22 CYS HA H 22 4.806 4.806 4.502 0.304 25568 504 1 3 . 1 1 22 22 CYS C C 22 173.348 173.348 175.361 -2.013 25568 505 1 3 . 1 1 22 22 CYS CA C 22 54.629 54.629 59.739 -5.110 25568 506 1 3 . 1 1 22 22 CYS CB C 22 39.843 39.843 25.191 14.652 25568 507 1 3 . 1 1 22 22 CYS H H 22 8.806 8.806 8.820 -0.014 25568 508 1 3 . 1 1 23 23 SER N N 23 124.577 124.577 124.343 0.234 25568 509 1 3 . 1 1 23 23 SER HA H 23 4.397 4.397 4.829 -0.432 25568 510 1 3 . 1 1 23 23 SER C C 23 175.215 175.215 174.974 0.241 25568 511 1 3 . 1 1 23 23 SER CA C 23 58.271 58.271 57.469 0.802 25568 512 1 3 . 1 1 23 23 SER CB C 23 63.442 63.442 64.631 -1.189 25568 513 1 3 . 1 1 23 23 SER H H 23 8.391 8.391 8.238 0.153 25568 514 1 3 . 1 1 24 24 SER N N 24 126.697 126.697 121.811 4.886 25568 515 1 3 . 1 1 24 24 SER HA H 24 4.129 4.129 4.088 0.041 25568 516 1 3 . 1 1 24 24 SER C C 24 172.950 172.950 175.624 -2.674 25568 517 1 3 . 1 1 24 24 SER CA C 24 60.747 60.747 60.442 0.305 25568 518 1 3 . 1 1 24 24 SER CB C 24 62.430 62.430 63.374 -0.944 25568 519 1 3 . 1 1 24 24 SER H H 24 9.050 9.050 8.955 0.095 25568 520 1 3 . 1 1 25 25 ARG N N 25 120.375 120.375 121.412 -1.037 25568 521 1 3 . 1 1 25 25 ARG HA H 25 3.867 3.867 3.870 -0.003 25568 522 1 3 . 1 1 25 25 ARG C C 25 175.662 175.662 176.402 -0.740 25568 523 1 3 . 1 1 25 25 ARG CA C 25 57.542 57.542 58.219 -0.677 25568 524 1 3 . 1 1 25 25 ARG CB C 25 30.592 30.592 29.677 0.915 25568 525 1 3 . 1 1 25 25 ARG H H 25 7.499 7.499 8.040 -0.541 25568 526 1 3 . 1 1 26 26 TRP N N 26 115.667 115.667 116.251 -0.584 25568 527 1 3 . 1 1 26 26 TRP HA H 26 4.168 4.168 4.221 -0.053 25568 528 1 3 . 1 1 26 26 TRP C C 26 173.077 173.077 174.819 -1.742 25568 529 1 3 . 1 1 26 26 TRP CA C 26 56.158 56.158 56.069 0.089 25568 530 1 3 . 1 1 26 26 TRP CB C 26 28.553 28.553 29.383 -0.830 25568 531 1 3 . 1 1 26 26 TRP H H 26 7.098 7.098 7.068 0.030 25568 532 1 3 . 1 1 27 27 LYS N N 27 112.484 112.484 112.636 -0.152 25568 533 1 3 . 1 1 27 27 LYS HA H 27 3.881 3.881 3.995 -0.114 25568 534 1 3 . 1 1 27 27 LYS C C 27 173.971 173.971 174.843 -0.872 25568 535 1 3 . 1 1 27 27 LYS CA C 27 56.287 56.287 56.954 -0.667 25568 536 1 3 . 1 1 27 27 LYS CB C 27 27.169 27.169 29.853 -2.684 25568 537 1 3 . 1 1 27 27 LYS H H 27 8.001 8.001 7.706 0.295 25568 538 1 3 . 1 1 28 28 TRP N N 28 110.998 110.998 113.842 -2.844 25568 539 1 3 . 1 1 28 28 TRP HA H 28 5.581 5.581 5.019 0.562 25568 540 1 3 . 1 1 28 28 TRP C C 28 175.710 175.710 174.990 0.720 25568 541 1 3 . 1 1 28 28 TRP CA C 28 55.284 55.284 55.303 -0.019 25568 542 1 3 . 1 1 28 28 TRP CB C 28 30.519 30.519 30.066 0.453 25568 543 1 3 . 1 1 28 28 TRP H H 28 6.947 6.947 7.626 -0.679 25568 544 1 3 . 1 1 29 29 CYS N N 29 121.176 121.176 121.719 -0.543 25568 545 1 3 . 1 1 29 29 CYS HA H 29 5.254 5.254 5.041 0.213 25568 546 1 3 . 1 1 29 29 CYS C C 29 173.157 173.157 175.209 -2.052 25568 547 1 3 . 1 1 29 29 CYS CA C 29 56.596 56.596 60.593 -3.997 25568 548 1 3 . 1 1 29 29 CYS CB C 29 41.518 41.518 26.429 15.089 25568 549 1 3 . 1 1 29 29 CYS H H 29 9.113 9.113 8.749 0.364 25568 550 1 3 . 1 1 30 30 VAL N N 30 117.187 117.187 119.283 -2.096 25568 551 1 3 . 1 1 30 30 VAL HA H 30 5.139 5.139 5.107 0.032 25568 552 1 3 . 1 1 30 30 VAL C C 30 173.269 173.269 174.896 -1.627 25568 553 1 3 . 1 1 30 30 VAL CA C 30 59.800 59.800 59.824 -0.024 25568 554 1 3 . 1 1 30 30 VAL CB C 30 35.909 35.909 35.369 0.540 25568 555 1 3 . 1 1 30 30 VAL H H 30 9.923 9.923 9.046 0.877 25568 556 1 3 . 1 1 31 31 LEU N N 31 120.354 120.354 123.945 -3.591 25568 557 1 3 . 1 1 31 31 LEU HA H 31 4.406 4.406 4.205 0.201 25568 558 1 3 . 1 1 31 31 LEU C C 31 176.285 176.285 177.490 -1.205 25568 559 1 3 . 1 1 31 31 LEU CA C 31 56.668 56.668 54.849 1.819 25568 560 1 3 . 1 1 31 31 LEU CB C 31 41.882 41.882 39.804 2.078 25568 561 1 3 . 1 1 31 31 LEU H H 31 8.331 8.331 8.636 -0.305 25568 562 1 3 . 1 1 32 32 ALA N N 32 124.391 124.391 129.745 -5.354 25568 563 1 3 . 1 1 32 32 ALA HA H 32 4.201 4.201 4.237 -0.036 25568 564 1 3 . 1 1 32 32 ALA C C 32 175.758 175.758 177.295 -1.537 25568 565 1 3 . 1 1 32 32 ALA CA C 32 52.881 52.881 52.293 0.588 25568 566 1 3 . 1 1 32 32 ALA CB C 32 19.229 19.229 19.406 -0.177 25568 567 1 3 . 1 1 32 32 ALA H H 32 8.366 8.366 8.002 0.364 25568 568 1 3 . 1 1 33 33 SER N N 33 115.562 115.562 117.409 -1.847 25568 569 1 3 . 1 1 33 33 SER HA H 33 4.763 4.763 4.624 0.139 25568 570 1 3 . 1 1 33 33 SER CA C 33 56.062 56.062 57.141 -1.079 25568 571 1 3 . 1 1 33 33 SER CB C 33 63.765 63.765 63.501 0.264 25568 572 1 3 . 1 1 33 33 SER H H 33 8.188 8.188 8.357 -0.169 25568 573 1 3 . 1 1 34 34 PRO HA H 34 4.387 4.387 4.483 -0.096 25568 574 1 3 . 1 1 34 34 PRO C C 34 173.907 173.907 177.280 -3.373 25568 575 1 3 . 1 1 34 34 PRO CA C 34 63.667 63.667 63.994 -0.327 25568 576 1 3 . 1 1 34 34 PRO CB C 34 31.736 31.736 31.972 -0.236 25568 577 1 4 . 1 1 2 2 GLU N N 2 121.648 121.648 121.476 0.172 25568 578 1 4 . 1 1 2 2 GLU HA H 2 4.501 4.501 4.719 -0.218 25568 579 1 4 . 1 1 2 2 GLU C C 2 173.747 173.747 175.859 -2.112 25568 580 1 4 . 1 1 2 2 GLU CA C 2 56.086 56.086 55.807 0.279 25568 581 1 4 . 1 1 2 2 GLU CB C 2 30.592 30.592 30.608 -0.016 25568 582 1 4 . 1 1 2 2 GLU H H 2 8.802 8.802 8.613 0.189 25568 583 1 4 . 1 1 3 3 CYS N N 3 119.267 119.267 116.628 2.639 25568 584 1 4 . 1 1 3 3 CYS HA H 3 4.568 4.568 4.784 -0.216 25568 585 1 4 . 1 1 3 3 CYS C C 3 171.833 171.833 174.650 -2.817 25568 586 1 4 . 1 1 3 3 CYS CA C 3 54.337 54.337 57.252 -2.916 25568 587 1 4 . 1 1 3 3 CYS CB C 3 41.809 41.809 29.793 12.016 25568 588 1 4 . 1 1 3 3 CYS H H 3 8.252 8.252 8.238 0.014 25568 589 1 4 . 1 1 4 4 GLY N N 4 107.188 107.188 107.659 -0.471 25568 590 1 4 . 1 1 4 4 GLY CA C 4 46.766 46.766 45.446 1.320 25568 591 1 4 . 1 1 4 4 GLY H H 4 8.642 8.642 8.556 0.086 25568 592 1 4 . 1 1 5 5 LYS N N 5 124.281 124.281 117.061 7.220 25568 593 1 4 . 1 1 5 5 LYS HA H 5 3.978 3.978 4.078 -0.100 25568 594 1 4 . 1 1 5 5 LYS C C 5 172.710 172.710 174.238 -1.528 25568 595 1 4 . 1 1 5 5 LYS CA C 5 54.483 54.483 54.881 -0.398 25568 596 1 4 . 1 1 5 5 LYS CB C 5 32.688 32.688 33.781 -1.093 25568 597 1 4 . 1 1 5 5 LYS H H 5 5.250 5.250 7.923 -2.673 25568 598 1 4 . 1 1 6 6 PHE N N 6 119.437 119.437 120.535 -1.098 25568 599 1 4 . 1 1 6 6 PHE HA H 6 4.077 4.077 4.322 -0.245 25568 600 1 4 . 1 1 6 6 PHE C C 6 174.609 174.609 175.841 -1.232 25568 601 1 4 . 1 1 6 6 PHE CA C 6 59.363 59.363 59.467 -0.104 25568 602 1 4 . 1 1 6 6 PHE CB C 6 38.968 38.968 39.347 -0.379 25568 603 1 4 . 1 1 6 6 PHE H H 6 8.141 8.141 8.195 -0.054 25568 604 1 4 . 1 1 7 7 MET N N 7 118.789 118.789 120.715 -1.926 25568 605 1 4 . 1 1 7 7 MET HA H 7 2.968 2.968 2.836 0.132 25568 606 1 4 . 1 1 7 7 MET C C 7 174.035 174.035 174.087 -0.052 25568 607 1 4 . 1 1 7 7 MET CA C 7 58.125 58.125 56.168 1.957 25568 608 1 4 . 1 1 7 7 MET CB C 7 29.062 29.062 30.004 -0.942 25568 609 1 4 . 1 1 7 7 MET H H 7 9.152 9.152 8.259 0.893 25568 610 1 4 . 1 1 8 8 TRP N N 8 122.588 122.588 120.302 2.286 25568 611 1 4 . 1 1 8 8 TRP HA H 8 4.626 4.626 4.688 -0.062 25568 612 1 4 . 1 1 8 8 TRP C C 8 174.497 174.497 176.114 -1.617 25568 613 1 4 . 1 1 8 8 TRP CA C 8 57.397 57.397 54.788 2.609 25568 614 1 4 . 1 1 8 8 TRP CB C 8 28.697 28.697 30.165 -1.468 25568 615 1 4 . 1 1 8 8 TRP H H 8 8.796 8.796 7.469 1.327 25568 616 1 4 . 1 1 9 9 LYS N N 9 121.982 121.982 123.946 -1.964 25568 617 1 4 . 1 1 9 9 LYS HA H 9 4.639 4.639 4.584 0.055 25568 618 1 4 . 1 1 9 9 LYS C C 9 173.588 173.588 176.597 -3.009 25568 619 1 4 . 1 1 9 9 LYS CA C 9 57.251 57.251 58.205 -0.954 25568 620 1 4 . 1 1 9 9 LYS CB C 9 32.559 32.559 32.790 -0.231 25568 621 1 4 . 1 1 9 9 LYS H H 9 8.289 8.289 8.672 -0.383 25568 622 1 4 . 1 1 10 10 CYS N N 10 115.637 115.637 119.013 -3.376 25568 623 1 4 . 1 1 10 10 CYS HA H 10 5.000 5.000 4.900 0.100 25568 624 1 4 . 1 1 10 10 CYS C C 10 170.732 170.732 173.826 -3.094 25568 625 1 4 . 1 1 10 10 CYS CA C 10 53.609 53.609 57.545 -3.936 25568 626 1 4 . 1 1 10 10 CYS CB C 10 47.345 47.345 29.872 17.473 25568 627 1 4 . 1 1 10 10 CYS H H 10 8.131 8.131 8.562 -0.431 25568 628 1 4 . 1 1 11 11 LYS N N 11 119.567 119.567 120.874 -1.307 25568 629 1 4 . 1 1 11 11 LYS HA H 11 4.429 4.429 4.329 0.100 25568 630 1 4 . 1 1 11 11 LYS C C 11 174.737 174.737 175.904 -1.167 25568 631 1 4 . 1 1 11 11 LYS CA C 11 57.470 57.470 57.254 0.216 25568 632 1 4 . 1 1 11 11 LYS CB C 11 34.015 34.015 32.841 1.174 25568 633 1 4 . 1 1 11 11 LYS H H 11 9.543 9.543 8.761 0.782 25568 634 1 4 . 1 1 12 12 ASN N N 12 115.051 115.051 114.351 0.700 25568 635 1 4 . 1 1 12 12 ASN HA H 12 4.723 4.723 4.811 -0.088 25568 636 1 4 . 1 1 12 12 ASN C C 12 174.896 174.896 175.074 -0.178 25568 637 1 4 . 1 1 12 12 ASN CA C 12 52.079 52.079 52.681 -0.602 25568 638 1 4 . 1 1 12 12 ASN CB C 12 40.935 40.935 41.108 -0.173 25568 639 1 4 . 1 1 12 12 ASN H H 12 8.125 8.125 7.648 0.477 25568 640 1 4 . 1 1 13 13 SER N N 13 117.741 117.741 115.771 1.970 25568 641 1 4 . 1 1 13 13 SER HA H 13 4.116 4.116 4.426 -0.310 25568 642 1 4 . 1 1 13 13 SER C C 13 173.269 173.269 175.182 -1.913 25568 643 1 4 . 1 1 13 13 SER CA C 13 63.151 63.151 60.429 2.722 25568 644 1 4 . 1 1 13 13 SER CB C 13 62.968 62.968 63.208 -0.240 25568 645 1 4 . 1 1 13 13 SER H H 13 9.317 9.317 8.742 0.575 25568 646 1 4 . 1 1 14 14 ASN N N 14 119.511 119.511 119.679 -0.168 25568 647 1 4 . 1 1 14 14 ASN HA H 14 4.648 4.648 4.580 0.068 25568 648 1 4 . 1 1 14 14 ASN C C 14 174.242 174.242 176.019 -1.777 25568 649 1 4 . 1 1 14 14 ASN CA C 14 55.139 55.139 55.389 -0.250 25568 650 1 4 . 1 1 14 14 ASN CB C 14 37.439 37.439 38.353 -0.914 25568 651 1 4 . 1 1 14 14 ASN H H 14 8.579 8.579 8.171 0.408 25568 652 1 4 . 1 1 15 15 ASP N N 15 116.823 116.823 119.509 -2.686 25568 653 1 4 . 1 1 15 15 ASP HA H 15 4.687 4.687 4.648 0.039 25568 654 1 4 . 1 1 15 15 ASP C C 15 175.614 175.614 175.897 -0.283 25568 655 1 4 . 1 1 15 15 ASP CA C 15 55.721 55.721 55.430 0.291 25568 656 1 4 . 1 1 15 15 ASP CB C 15 42.465 42.465 41.645 0.820 25568 657 1 4 . 1 1 15 15 ASP H H 15 7.797 7.797 7.755 0.042 25568 658 1 4 . 1 1 16 16 CYS N N 16 118.609 118.609 117.652 0.957 25568 659 1 4 . 1 1 16 16 CYS HA H 16 5.083 5.083 4.457 0.626 25568 660 1 4 . 1 1 16 16 CYS C C 16 172.327 172.327 176.036 -3.709 25568 661 1 4 . 1 1 16 16 CYS CA C 16 53.682 53.682 60.581 -6.899 25568 662 1 4 . 1 1 16 16 CYS CB C 16 41.809 41.809 27.357 14.453 25568 663 1 4 . 1 1 16 16 CYS H H 16 7.816 7.816 7.565 0.251 25568 664 1 4 . 1 1 17 17 CYS N N 17 120.994 120.994 125.482 -4.488 25568 665 1 4 . 1 1 17 17 CYS HA H 17 4.511 4.511 4.327 0.184 25568 666 1 4 . 1 1 17 17 CYS C C 17 170.811 170.811 175.094 -4.283 25568 667 1 4 . 1 1 17 17 CYS CA C 17 54.483 54.483 60.769 -6.285 25568 668 1 4 . 1 1 17 17 CYS CB C 17 40.134 40.134 27.343 12.791 25568 669 1 4 . 1 1 17 17 CYS H H 17 9.560 9.560 8.613 0.947 25568 670 1 4 . 1 1 18 18 LYS N N 18 118.089 118.089 118.575 -0.486 25568 671 1 4 . 1 1 18 18 LYS HA H 18 4.052 4.052 4.350 -0.298 25568 672 1 4 . 1 1 18 18 LYS C C 18 174.322 174.322 175.105 -0.783 25568 673 1 4 . 1 1 18 18 LYS CA C 18 58.562 58.562 56.193 2.369 25568 674 1 4 . 1 1 18 18 LYS CB C 18 32.631 32.631 33.718 -1.087 25568 675 1 4 . 1 1 18 18 LYS H H 18 8.004 8.004 7.536 0.468 25568 676 1 4 . 1 1 19 19 ASP N N 19 116.375 116.375 120.321 -3.946 25568 677 1 4 . 1 1 19 19 ASP HA H 19 4.295 4.295 4.290 0.005 25568 678 1 4 . 1 1 19 19 ASP C C 19 172.790 172.790 174.463 -1.673 25568 679 1 4 . 1 1 19 19 ASP CA C 19 56.741 56.741 55.207 1.534 25568 680 1 4 . 1 1 19 19 ASP CB C 19 38.677 38.677 40.873 -2.196 25568 681 1 4 . 1 1 19 19 ASP H H 19 8.715 8.715 8.630 0.085 25568 682 1 4 . 1 1 20 20 LEU N N 20 120.437 120.437 117.274 3.163 25568 683 1 4 . 1 1 20 20 LEU HA H 20 5.229 5.229 4.985 0.244 25568 684 1 4 . 1 1 20 20 LEU C C 20 173.971 173.971 176.200 -2.229 25568 685 1 4 . 1 1 20 20 LEU CA C 20 54.920 54.920 52.824 2.096 25568 686 1 4 . 1 1 20 20 LEU CB C 20 44.577 44.577 45.618 -1.041 25568 687 1 4 . 1 1 20 20 LEU H H 20 8.286 8.286 7.503 0.783 25568 688 1 4 . 1 1 21 21 VAL N N 21 112.441 112.441 116.300 -3.859 25568 689 1 4 . 1 1 21 21 VAL HA H 21 4.579 4.579 4.516 0.063 25568 690 1 4 . 1 1 21 21 VAL C C 21 172.790 172.790 174.708 -1.918 25568 691 1 4 . 1 1 21 21 VAL CA C 21 58.999 58.999 60.255 -1.256 25568 692 1 4 . 1 1 21 21 VAL CB C 21 35.836 35.836 34.114 1.722 25568 693 1 4 . 1 1 21 21 VAL H H 21 9.324 9.324 8.628 0.696 25568 694 1 4 . 1 1 22 22 CYS N N 22 121.656 121.656 127.183 -5.527 25568 695 1 4 . 1 1 22 22 CYS HA H 22 4.806 4.806 4.514 0.292 25568 696 1 4 . 1 1 22 22 CYS C C 22 173.348 173.348 175.264 -1.916 25568 697 1 4 . 1 1 22 22 CYS CA C 22 54.629 54.629 59.759 -5.130 25568 698 1 4 . 1 1 22 22 CYS CB C 22 39.843 39.843 25.229 14.614 25568 699 1 4 . 1 1 22 22 CYS H H 22 8.806 8.806 8.784 0.022 25568 700 1 4 . 1 1 23 23 SER N N 23 124.577 124.577 124.424 0.153 25568 701 1 4 . 1 1 23 23 SER HA H 23 4.397 4.397 4.822 -0.425 25568 702 1 4 . 1 1 23 23 SER C C 23 175.215 175.215 175.010 0.205 25568 703 1 4 . 1 1 23 23 SER CA C 23 58.271 58.271 57.712 0.560 25568 704 1 4 . 1 1 23 23 SER CB C 23 63.442 63.442 64.710 -1.268 25568 705 1 4 . 1 1 23 23 SER H H 23 8.391 8.391 8.243 0.148 25568 706 1 4 . 1 1 24 24 SER N N 24 126.697 126.697 121.635 5.062 25568 707 1 4 . 1 1 24 24 SER HA H 24 4.129 4.129 4.081 0.048 25568 708 1 4 . 1 1 24 24 SER C C 24 172.950 172.950 175.212 -2.262 25568 709 1 4 . 1 1 24 24 SER CA C 24 60.747 60.747 60.478 0.269 25568 710 1 4 . 1 1 24 24 SER CB C 24 62.430 62.430 63.391 -0.961 25568 711 1 4 . 1 1 24 24 SER H H 24 9.050 9.050 8.873 0.177 25568 712 1 4 . 1 1 25 25 ARG N N 25 120.375 120.375 120.558 -0.183 25568 713 1 4 . 1 1 25 25 ARG HA H 25 3.867 3.867 3.868 -0.001 25568 714 1 4 . 1 1 25 25 ARG C C 25 175.662 175.662 176.332 -0.670 25568 715 1 4 . 1 1 25 25 ARG CA C 25 57.542 57.542 57.764 -0.222 25568 716 1 4 . 1 1 25 25 ARG CB C 25 30.592 30.592 29.551 1.041 25568 717 1 4 . 1 1 25 25 ARG H H 25 7.499 7.499 8.131 -0.632 25568 718 1 4 . 1 1 26 26 TRP N N 26 115.667 115.667 117.652 -1.985 25568 719 1 4 . 1 1 26 26 TRP HA H 26 4.168 4.168 4.216 -0.048 25568 720 1 4 . 1 1 26 26 TRP C C 26 173.077 173.077 175.092 -2.015 25568 721 1 4 . 1 1 26 26 TRP CA C 26 56.158 56.158 56.172 -0.014 25568 722 1 4 . 1 1 26 26 TRP CB C 26 28.553 28.553 29.304 -0.751 25568 723 1 4 . 1 1 26 26 TRP H H 26 7.098 7.098 7.183 -0.085 25568 724 1 4 . 1 1 27 27 LYS N N 27 112.484 112.484 113.006 -0.522 25568 725 1 4 . 1 1 27 27 LYS HA H 27 3.881 3.881 3.933 -0.052 25568 726 1 4 . 1 1 27 27 LYS C C 27 173.971 173.971 174.822 -0.851 25568 727 1 4 . 1 1 27 27 LYS CA C 27 56.287 56.287 57.446 -1.159 25568 728 1 4 . 1 1 27 27 LYS CB C 27 27.169 27.169 29.422 -2.253 25568 729 1 4 . 1 1 27 27 LYS H H 27 8.001 8.001 7.901 0.100 25568 730 1 4 . 1 1 28 28 TRP N N 28 110.998 110.998 113.851 -2.853 25568 731 1 4 . 1 1 28 28 TRP HA H 28 5.581 5.581 5.014 0.567 25568 732 1 4 . 1 1 28 28 TRP C C 28 175.710 175.710 174.971 0.739 25568 733 1 4 . 1 1 28 28 TRP CA C 28 55.284 55.284 55.303 -0.019 25568 734 1 4 . 1 1 28 28 TRP CB C 28 30.519 30.519 30.069 0.450 25568 735 1 4 . 1 1 28 28 TRP H H 28 6.947 6.947 7.631 -0.684 25568 736 1 4 . 1 1 29 29 CYS N N 29 121.176 121.176 122.031 -0.855 25568 737 1 4 . 1 1 29 29 CYS HA H 29 5.254 5.254 5.083 0.171 25568 738 1 4 . 1 1 29 29 CYS C C 29 173.157 173.157 174.950 -1.793 25568 739 1 4 . 1 1 29 29 CYS CA C 29 56.596 56.596 60.845 -4.249 25568 740 1 4 . 1 1 29 29 CYS CB C 29 41.518 41.518 26.471 15.047 25568 741 1 4 . 1 1 29 29 CYS H H 29 9.113 9.113 8.779 0.334 25568 742 1 4 . 1 1 30 30 VAL N N 30 117.187 117.187 121.024 -3.837 25568 743 1 4 . 1 1 30 30 VAL HA H 30 5.139 5.139 5.058 0.081 25568 744 1 4 . 1 1 30 30 VAL C C 30 173.269 173.269 174.799 -1.530 25568 745 1 4 . 1 1 30 30 VAL CA C 30 59.800 59.800 59.386 0.414 25568 746 1 4 . 1 1 30 30 VAL CB C 30 35.909 35.909 35.018 0.891 25568 747 1 4 . 1 1 30 30 VAL H H 30 9.923 9.923 9.063 0.860 25568 748 1 4 . 1 1 31 31 LEU N N 31 120.354 120.354 124.132 -3.778 25568 749 1 4 . 1 1 31 31 LEU HA H 31 4.406 4.406 4.200 0.206 25568 750 1 4 . 1 1 31 31 LEU C C 31 176.285 176.285 177.457 -1.172 25568 751 1 4 . 1 1 31 31 LEU CA C 31 56.668 56.668 54.833 1.835 25568 752 1 4 . 1 1 31 31 LEU CB C 31 41.882 41.882 39.923 1.959 25568 753 1 4 . 1 1 31 31 LEU H H 31 8.331 8.331 8.631 -0.300 25568 754 1 4 . 1 1 32 32 ALA N N 32 124.391 124.391 129.355 -4.964 25568 755 1 4 . 1 1 32 32 ALA HA H 32 4.201 4.201 4.230 -0.029 25568 756 1 4 . 1 1 32 32 ALA C C 32 175.758 175.758 176.668 -0.910 25568 757 1 4 . 1 1 32 32 ALA CA C 32 52.881 52.881 51.983 0.898 25568 758 1 4 . 1 1 32 32 ALA CB C 32 19.229 19.229 19.431 -0.202 25568 759 1 4 . 1 1 32 32 ALA H H 32 8.366 8.366 8.028 0.338 25568 760 1 4 . 1 1 33 33 SER N N 33 115.562 115.562 120.010 -4.448 25568 761 1 4 . 1 1 33 33 SER HA H 33 4.763 4.763 4.534 0.229 25568 762 1 4 . 1 1 33 33 SER CA C 33 56.062 56.062 56.726 -0.664 25568 763 1 4 . 1 1 33 33 SER CB C 33 63.765 63.765 63.462 0.303 25568 764 1 4 . 1 1 33 33 SER H H 33 8.188 8.188 8.155 0.033 25568 765 1 4 . 1 1 34 34 PRO HA H 34 4.387 4.387 4.511 -0.124 25568 766 1 4 . 1 1 34 34 PRO C C 34 173.907 173.907 177.031 -3.124 25568 767 1 4 . 1 1 34 34 PRO CA C 34 63.667 63.667 64.020 -0.353 25568 768 1 4 . 1 1 34 34 PRO CB C 34 31.736 31.736 32.055 -0.319 25568 769 1 5 . 1 1 2 2 GLU N N 2 121.648 121.648 121.026 0.622 25568 770 1 5 . 1 1 2 2 GLU HA H 2 4.501 4.501 4.470 0.031 25568 771 1 5 . 1 1 2 2 GLU C C 2 173.747 173.747 175.983 -2.236 25568 772 1 5 . 1 1 2 2 GLU CA C 2 56.086 56.086 56.426 -0.340 25568 773 1 5 . 1 1 2 2 GLU CB C 2 30.592 30.592 30.312 0.280 25568 774 1 5 . 1 1 2 2 GLU H H 2 8.802 8.802 8.561 0.241 25568 775 1 5 . 1 1 3 3 CYS N N 3 119.267 119.267 116.685 2.582 25568 776 1 5 . 1 1 3 3 CYS HA H 3 4.568 4.568 4.748 -0.180 25568 777 1 5 . 1 1 3 3 CYS C C 3 171.833 171.833 174.763 -2.930 25568 778 1 5 . 1 1 3 3 CYS CA C 3 54.337 54.337 57.153 -2.816 25568 779 1 5 . 1 1 3 3 CYS CB C 3 41.809 41.809 29.993 11.816 25568 780 1 5 . 1 1 3 3 CYS H H 3 8.252 8.252 8.168 0.084 25568 781 1 5 . 1 1 4 4 GLY N N 4 107.188 107.188 107.663 -0.475 25568 782 1 5 . 1 1 4 4 GLY CA C 4 46.766 46.766 45.498 1.268 25568 783 1 5 . 1 1 4 4 GLY H H 4 8.642 8.642 8.476 0.166 25568 784 1 5 . 1 1 5 5 LYS N N 5 124.281 124.281 116.695 7.586 25568 785 1 5 . 1 1 5 5 LYS HA H 5 3.978 3.978 4.101 -0.123 25568 786 1 5 . 1 1 5 5 LYS C C 5 172.710 172.710 174.255 -1.545 25568 787 1 5 . 1 1 5 5 LYS CA C 5 54.483 54.483 54.858 -0.375 25568 788 1 5 . 1 1 5 5 LYS CB C 5 32.688 32.688 34.175 -1.488 25568 789 1 5 . 1 1 5 5 LYS H H 5 5.250 5.250 8.037 -2.787 25568 790 1 5 . 1 1 6 6 PHE N N 6 119.437 119.437 120.486 -1.049 25568 791 1 5 . 1 1 6 6 PHE HA H 6 4.077 4.077 4.324 -0.247 25568 792 1 5 . 1 1 6 6 PHE C C 6 174.609 174.609 175.819 -1.210 25568 793 1 5 . 1 1 6 6 PHE CA C 6 59.363 59.363 59.481 -0.118 25568 794 1 5 . 1 1 6 6 PHE CB C 6 38.968 38.968 39.354 -0.386 25568 795 1 5 . 1 1 6 6 PHE H H 6 8.141 8.141 8.202 -0.061 25568 796 1 5 . 1 1 7 7 MET N N 7 118.789 118.789 120.415 -1.626 25568 797 1 5 . 1 1 7 7 MET HA H 7 2.968 2.968 2.835 0.133 25568 798 1 5 . 1 1 7 7 MET C C 7 174.035 174.035 174.157 -0.122 25568 799 1 5 . 1 1 7 7 MET CA C 7 58.125 58.125 56.179 1.946 25568 800 1 5 . 1 1 7 7 MET CB C 7 29.062 29.062 29.883 -0.821 25568 801 1 5 . 1 1 7 7 MET H H 7 9.152 9.152 8.223 0.929 25568 802 1 5 . 1 1 8 8 TRP N N 8 122.588 122.588 120.273 2.315 25568 803 1 5 . 1 1 8 8 TRP HA H 8 4.626 4.626 4.691 -0.065 25568 804 1 5 . 1 1 8 8 TRP C C 8 174.497 174.497 176.169 -1.672 25568 805 1 5 . 1 1 8 8 TRP CA C 8 57.397 57.397 54.824 2.573 25568 806 1 5 . 1 1 8 8 TRP CB C 8 28.697 28.697 30.165 -1.468 25568 807 1 5 . 1 1 8 8 TRP H H 8 8.796 8.796 7.464 1.332 25568 808 1 5 . 1 1 9 9 LYS N N 9 121.982 121.982 123.901 -1.919 25568 809 1 5 . 1 1 9 9 LYS HA H 9 4.639 4.639 4.588 0.051 25568 810 1 5 . 1 1 9 9 LYS C C 9 173.588 173.588 176.596 -3.008 25568 811 1 5 . 1 1 9 9 LYS CA C 9 57.251 57.251 58.183 -0.932 25568 812 1 5 . 1 1 9 9 LYS CB C 9 32.559 32.559 32.808 -0.249 25568 813 1 5 . 1 1 9 9 LYS H H 9 8.289 8.289 8.673 -0.384 25568 814 1 5 . 1 1 10 10 CYS N N 10 115.637 115.637 119.237 -3.600 25568 815 1 5 . 1 1 10 10 CYS HA H 10 5.000 5.000 4.853 0.147 25568 816 1 5 . 1 1 10 10 CYS C C 10 170.732 170.732 174.093 -3.361 25568 817 1 5 . 1 1 10 10 CYS CA C 10 53.609 53.609 57.432 -3.823 25568 818 1 5 . 1 1 10 10 CYS CB C 10 47.345 47.345 29.998 17.347 25568 819 1 5 . 1 1 10 10 CYS H H 10 8.131 8.131 8.460 -0.329 25568 820 1 5 . 1 1 11 11 LYS N N 11 119.567 119.567 121.508 -1.941 25568 821 1 5 . 1 1 11 11 LYS HA H 11 4.429 4.429 4.343 0.086 25568 822 1 5 . 1 1 11 11 LYS C C 11 174.737 174.737 175.594 -0.857 25568 823 1 5 . 1 1 11 11 LYS CA C 11 57.470 57.470 57.606 -0.136 25568 824 1 5 . 1 1 11 11 LYS CB C 11 34.015 34.015 32.817 1.198 25568 825 1 5 . 1 1 11 11 LYS H H 11 9.543 9.543 8.831 0.712 25568 826 1 5 . 1 1 12 12 ASN N N 12 115.051 115.051 114.196 0.855 25568 827 1 5 . 1 1 12 12 ASN HA H 12 4.723 4.723 4.786 -0.063 25568 828 1 5 . 1 1 12 12 ASN C C 12 174.896 174.896 174.847 0.049 25568 829 1 5 . 1 1 12 12 ASN CA C 12 52.079 52.079 52.225 -0.146 25568 830 1 5 . 1 1 12 12 ASN CB C 12 40.935 40.935 39.482 1.453 25568 831 1 5 . 1 1 12 12 ASN H H 12 8.125 8.125 7.592 0.533 25568 832 1 5 . 1 1 13 13 SER N N 13 117.741 117.741 112.580 5.161 25568 833 1 5 . 1 1 13 13 SER HA H 13 4.116 4.116 4.403 -0.287 25568 834 1 5 . 1 1 13 13 SER C C 13 173.269 173.269 175.058 -1.789 25568 835 1 5 . 1 1 13 13 SER CA C 13 63.151 63.151 59.367 3.784 25568 836 1 5 . 1 1 13 13 SER CB C 13 62.968 62.968 63.334 -0.366 25568 837 1 5 . 1 1 13 13 SER H H 13 9.317 9.317 8.636 0.681 25568 838 1 5 . 1 1 14 14 ASN N N 14 119.511 119.511 119.468 0.043 25568 839 1 5 . 1 1 14 14 ASN HA H 14 4.648 4.648 4.606 0.042 25568 840 1 5 . 1 1 14 14 ASN C C 14 174.242 174.242 176.599 -2.357 25568 841 1 5 . 1 1 14 14 ASN CA C 14 55.139 55.139 54.857 0.282 25568 842 1 5 . 1 1 14 14 ASN CB C 14 37.439 37.439 38.073 -0.634 25568 843 1 5 . 1 1 14 14 ASN H H 14 8.579 8.579 7.904 0.675 25568 844 1 5 . 1 1 15 15 ASP N N 15 116.823 116.823 119.421 -2.598 25568 845 1 5 . 1 1 15 15 ASP HA H 15 4.687 4.687 4.632 0.055 25568 846 1 5 . 1 1 15 15 ASP C C 15 175.614 175.614 176.091 -0.477 25568 847 1 5 . 1 1 15 15 ASP CA C 15 55.721 55.721 55.850 -0.129 25568 848 1 5 . 1 1 15 15 ASP CB C 15 42.465 42.465 41.666 0.799 25568 849 1 5 . 1 1 15 15 ASP H H 15 7.797 7.797 7.914 -0.117 25568 850 1 5 . 1 1 16 16 CYS N N 16 118.609 118.609 117.315 1.294 25568 851 1 5 . 1 1 16 16 CYS HA H 16 5.083 5.083 4.458 0.625 25568 852 1 5 . 1 1 16 16 CYS C C 16 172.327 172.327 176.064 -3.737 25568 853 1 5 . 1 1 16 16 CYS CA C 16 53.682 53.682 60.575 -6.893 25568 854 1 5 . 1 1 16 16 CYS CB C 16 41.809 41.809 27.402 14.407 25568 855 1 5 . 1 1 16 16 CYS H H 16 7.816 7.816 7.593 0.223 25568 856 1 5 . 1 1 17 17 CYS N N 17 120.994 120.994 125.142 -4.148 25568 857 1 5 . 1 1 17 17 CYS HA H 17 4.511 4.511 4.335 0.176 25568 858 1 5 . 1 1 17 17 CYS C C 17 170.811 170.811 175.080 -4.269 25568 859 1 5 . 1 1 17 17 CYS CA C 17 54.483 54.483 60.728 -6.245 25568 860 1 5 . 1 1 17 17 CYS CB C 17 40.134 40.134 27.328 12.806 25568 861 1 5 . 1 1 17 17 CYS H H 17 9.560 9.560 8.582 0.978 25568 862 1 5 . 1 1 18 18 LYS N N 18 118.089 118.089 118.546 -0.457 25568 863 1 5 . 1 1 18 18 LYS HA H 18 4.052 4.052 4.350 -0.298 25568 864 1 5 . 1 1 18 18 LYS C C 18 174.322 174.322 175.114 -0.792 25568 865 1 5 . 1 1 18 18 LYS CA C 18 58.562 58.562 56.241 2.321 25568 866 1 5 . 1 1 18 18 LYS CB C 18 32.631 32.631 33.699 -1.068 25568 867 1 5 . 1 1 18 18 LYS H H 18 8.004 8.004 7.521 0.483 25568 868 1 5 . 1 1 19 19 ASP N N 19 116.375 116.375 120.541 -4.166 25568 869 1 5 . 1 1 19 19 ASP HA H 19 4.295 4.295 4.282 0.013 25568 870 1 5 . 1 1 19 19 ASP C C 19 172.790 172.790 174.447 -1.657 25568 871 1 5 . 1 1 19 19 ASP CA C 19 56.741 56.741 55.187 1.554 25568 872 1 5 . 1 1 19 19 ASP CB C 19 38.677 38.677 40.928 -2.251 25568 873 1 5 . 1 1 19 19 ASP H H 19 8.715 8.715 8.609 0.106 25568 874 1 5 . 1 1 20 20 LEU N N 20 120.437 120.437 116.771 3.666 25568 875 1 5 . 1 1 20 20 LEU HA H 20 5.229 5.229 4.975 0.254 25568 876 1 5 . 1 1 20 20 LEU C C 20 173.971 173.971 176.211 -2.240 25568 877 1 5 . 1 1 20 20 LEU CA C 20 54.920 54.920 52.962 1.958 25568 878 1 5 . 1 1 20 20 LEU CB C 20 44.577 44.577 45.591 -1.014 25568 879 1 5 . 1 1 20 20 LEU H H 20 8.286 8.286 7.459 0.827 25568 880 1 5 . 1 1 21 21 VAL N N 21 112.441 112.441 116.341 -3.900 25568 881 1 5 . 1 1 21 21 VAL HA H 21 4.579 4.579 4.509 0.070 25568 882 1 5 . 1 1 21 21 VAL C C 21 172.790 172.790 175.052 -2.262 25568 883 1 5 . 1 1 21 21 VAL CA C 21 58.999 58.999 60.644 -1.645 25568 884 1 5 . 1 1 21 21 VAL CB C 21 35.836 35.836 34.589 1.247 25568 885 1 5 . 1 1 21 21 VAL H H 21 9.324 9.324 8.550 0.774 25568 886 1 5 . 1 1 22 22 CYS N N 22 121.656 121.656 127.486 -5.830 25568 887 1 5 . 1 1 22 22 CYS HA H 22 4.806 4.806 4.588 0.218 25568 888 1 5 . 1 1 22 22 CYS C C 22 173.348 173.348 175.252 -1.904 25568 889 1 5 . 1 1 22 22 CYS CA C 22 54.629 54.629 59.799 -5.170 25568 890 1 5 . 1 1 22 22 CYS CB C 22 39.843 39.843 25.238 14.605 25568 891 1 5 . 1 1 22 22 CYS H H 22 8.806 8.806 8.787 0.019 25568 892 1 5 . 1 1 23 23 SER N N 23 124.577 124.577 124.830 -0.253 25568 893 1 5 . 1 1 23 23 SER HA H 23 4.397 4.397 4.756 -0.359 25568 894 1 5 . 1 1 23 23 SER C C 23 175.215 175.215 174.563 0.652 25568 895 1 5 . 1 1 23 23 SER CA C 23 58.271 58.271 57.890 0.381 25568 896 1 5 . 1 1 23 23 SER CB C 23 63.442 63.442 64.674 -1.232 25568 897 1 5 . 1 1 23 23 SER H H 23 8.391 8.391 8.302 0.089 25568 898 1 5 . 1 1 24 24 SER N N 24 126.697 126.697 122.561 4.136 25568 899 1 5 . 1 1 24 24 SER HA H 24 4.129 4.129 4.183 -0.054 25568 900 1 5 . 1 1 24 24 SER C C 24 172.950 172.950 175.416 -2.466 25568 901 1 5 . 1 1 24 24 SER CA C 24 60.747 60.747 60.194 0.554 25568 902 1 5 . 1 1 24 24 SER CB C 24 62.430 62.430 63.112 -0.682 25568 903 1 5 . 1 1 24 24 SER H H 24 9.050 9.050 9.006 0.044 25568 904 1 5 . 1 1 25 25 ARG N N 25 120.375 120.375 120.466 -0.091 25568 905 1 5 . 1 1 25 25 ARG HA H 25 3.867 3.867 3.926 -0.059 25568 906 1 5 . 1 1 25 25 ARG C C 25 175.662 175.662 176.439 -0.777 25568 907 1 5 . 1 1 25 25 ARG CA C 25 57.542 57.542 57.955 -0.413 25568 908 1 5 . 1 1 25 25 ARG CB C 25 30.592 30.592 29.569 1.023 25568 909 1 5 . 1 1 25 25 ARG H H 25 7.499 7.499 8.107 -0.608 25568 910 1 5 . 1 1 26 26 TRP N N 26 115.667 115.667 117.412 -1.745 25568 911 1 5 . 1 1 26 26 TRP HA H 26 4.168 4.168 4.203 -0.035 25568 912 1 5 . 1 1 26 26 TRP C C 26 173.077 173.077 175.181 -2.104 25568 913 1 5 . 1 1 26 26 TRP CA C 26 56.158 56.158 56.122 0.036 25568 914 1 5 . 1 1 26 26 TRP CB C 26 28.553 28.553 29.171 -0.618 25568 915 1 5 . 1 1 26 26 TRP H H 26 7.098 7.098 7.173 -0.075 25568 916 1 5 . 1 1 27 27 LYS N N 27 112.484 112.484 113.014 -0.530 25568 917 1 5 . 1 1 27 27 LYS HA H 27 3.881 3.881 3.898 -0.017 25568 918 1 5 . 1 1 27 27 LYS C C 27 173.971 173.971 174.776 -0.805 25568 919 1 5 . 1 1 27 27 LYS CA C 27 56.287 56.287 57.393 -1.106 25568 920 1 5 . 1 1 27 27 LYS CB C 27 27.169 27.169 29.412 -2.243 25568 921 1 5 . 1 1 27 27 LYS H H 27 8.001 8.001 7.868 0.133 25568 922 1 5 . 1 1 28 28 TRP N N 28 110.998 110.998 113.874 -2.876 25568 923 1 5 . 1 1 28 28 TRP HA H 28 5.581 5.581 5.014 0.567 25568 924 1 5 . 1 1 28 28 TRP C C 28 175.710 175.710 174.982 0.728 25568 925 1 5 . 1 1 28 28 TRP CA C 28 55.284 55.284 55.303 -0.019 25568 926 1 5 . 1 1 28 28 TRP CB C 28 30.519 30.519 30.077 0.442 25568 927 1 5 . 1 1 28 28 TRP H H 28 6.947 6.947 7.633 -0.686 25568 928 1 5 . 1 1 29 29 CYS N N 29 121.176 121.176 121.527 -0.351 25568 929 1 5 . 1 1 29 29 CYS HA H 29 5.254 5.254 5.058 0.196 25568 930 1 5 . 1 1 29 29 CYS C C 29 173.157 173.157 175.069 -1.912 25568 931 1 5 . 1 1 29 29 CYS CA C 29 56.596 56.596 61.078 -4.482 25568 932 1 5 . 1 1 29 29 CYS CB C 29 41.518 41.518 26.225 15.293 25568 933 1 5 . 1 1 29 29 CYS H H 29 9.113 9.113 8.767 0.346 25568 934 1 5 . 1 1 30 30 VAL N N 30 117.187 117.187 120.635 -3.448 25568 935 1 5 . 1 1 30 30 VAL HA H 30 5.139 5.139 5.022 0.117 25568 936 1 5 . 1 1 30 30 VAL C C 30 173.269 173.269 174.768 -1.499 25568 937 1 5 . 1 1 30 30 VAL CA C 30 59.800 59.800 59.992 -0.192 25568 938 1 5 . 1 1 30 30 VAL CB C 30 35.909 35.909 35.353 0.556 25568 939 1 5 . 1 1 30 30 VAL H H 30 9.923 9.923 9.062 0.861 25568 940 1 5 . 1 1 31 31 LEU N N 31 120.354 120.354 124.512 -4.158 25568 941 1 5 . 1 1 31 31 LEU HA H 31 4.406 4.406 4.233 0.173 25568 942 1 5 . 1 1 31 31 LEU C C 31 176.285 176.285 177.628 -1.343 25568 943 1 5 . 1 1 31 31 LEU CA C 31 56.668 56.668 54.907 1.761 25568 944 1 5 . 1 1 31 31 LEU CB C 31 41.882 41.882 39.966 1.916 25568 945 1 5 . 1 1 31 31 LEU H H 31 8.331 8.331 8.645 -0.314 25568 946 1 5 . 1 1 32 32 ALA N N 32 124.391 124.391 129.579 -5.188 25568 947 1 5 . 1 1 32 32 ALA HA H 32 4.201 4.201 4.222 -0.021 25568 948 1 5 . 1 1 32 32 ALA C C 32 175.758 175.758 177.177 -1.419 25568 949 1 5 . 1 1 32 32 ALA CA C 32 52.881 52.881 52.737 0.144 25568 950 1 5 . 1 1 32 32 ALA CB C 32 19.229 19.229 19.715 -0.486 25568 951 1 5 . 1 1 32 32 ALA H H 32 8.366 8.366 7.757 0.609 25568 952 1 5 . 1 1 33 33 SER N N 33 115.562 115.562 116.099 -0.537 25568 953 1 5 . 1 1 33 33 SER HA H 33 4.763 4.763 4.650 0.113 25568 954 1 5 . 1 1 33 33 SER CA C 33 56.062 56.062 56.768 -0.706 25568 955 1 5 . 1 1 33 33 SER CB C 33 63.765 63.765 63.510 0.255 25568 956 1 5 . 1 1 33 33 SER H H 33 8.188 8.188 8.496 -0.308 25568 957 1 5 . 1 1 34 34 PRO HA H 34 4.387 4.387 4.422 -0.035 25568 958 1 5 . 1 1 34 34 PRO C C 34 173.907 173.907 176.461 -2.554 25568 959 1 5 . 1 1 34 34 PRO CA C 34 63.667 63.667 63.919 -0.252 25568 960 1 5 . 1 1 34 34 PRO CB C 34 31.736 31.736 31.813 -0.077 25568 961 1 6 . 1 1 2 2 GLU N N 2 121.648 121.648 121.738 -0.090 25568 962 1 6 . 1 1 2 2 GLU HA H 2 4.501 4.501 4.638 -0.137 25568 963 1 6 . 1 1 2 2 GLU C C 2 173.747 173.747 175.750 -2.003 25568 964 1 6 . 1 1 2 2 GLU CA C 2 56.086 56.086 56.007 0.079 25568 965 1 6 . 1 1 2 2 GLU CB C 2 30.592 30.592 30.714 -0.122 25568 966 1 6 . 1 1 2 2 GLU H H 2 8.802 8.802 8.537 0.265 25568 967 1 6 . 1 1 3 3 CYS N N 3 119.267 119.267 117.613 1.654 25568 968 1 6 . 1 1 3 3 CYS HA H 3 4.568 4.568 4.812 -0.244 25568 969 1 6 . 1 1 3 3 CYS C C 3 171.833 171.833 174.804 -2.971 25568 970 1 6 . 1 1 3 3 CYS CA C 3 54.337 54.337 57.497 -3.160 25568 971 1 6 . 1 1 3 3 CYS CB C 3 41.809 41.809 29.519 12.290 25568 972 1 6 . 1 1 3 3 CYS H H 3 8.252 8.252 8.290 -0.038 25568 973 1 6 . 1 1 4 4 GLY N N 4 107.188 107.188 107.681 -0.493 25568 974 1 6 . 1 1 4 4 GLY CA C 4 46.766 46.766 45.467 1.299 25568 975 1 6 . 1 1 4 4 GLY H H 4 8.642 8.642 8.558 0.084 25568 976 1 6 . 1 1 5 5 LYS N N 5 124.281 124.281 117.066 7.215 25568 977 1 6 . 1 1 5 5 LYS HA H 5 3.978 3.978 4.082 -0.104 25568 978 1 6 . 1 1 5 5 LYS C C 5 172.710 172.710 174.246 -1.536 25568 979 1 6 . 1 1 5 5 LYS CA C 5 54.483 54.483 54.883 -0.400 25568 980 1 6 . 1 1 5 5 LYS CB C 5 32.688 32.688 33.773 -1.085 25568 981 1 6 . 1 1 5 5 LYS H H 5 5.250 5.250 7.930 -2.680 25568 982 1 6 . 1 1 6 6 PHE N N 6 119.437 119.437 120.495 -1.058 25568 983 1 6 . 1 1 6 6 PHE HA H 6 4.077 4.077 4.325 -0.248 25568 984 1 6 . 1 1 6 6 PHE C C 6 174.609 174.609 175.823 -1.214 25568 985 1 6 . 1 1 6 6 PHE CA C 6 59.363 59.363 59.476 -0.113 25568 986 1 6 . 1 1 6 6 PHE CB C 6 38.968 38.968 39.353 -0.386 25568 987 1 6 . 1 1 6 6 PHE H H 6 8.141 8.141 8.204 -0.063 25568 988 1 6 . 1 1 7 7 MET N N 7 118.789 118.789 120.402 -1.613 25568 989 1 6 . 1 1 7 7 MET HA H 7 2.968 2.968 2.835 0.133 25568 990 1 6 . 1 1 7 7 MET C C 7 174.035 174.035 174.164 -0.129 25568 991 1 6 . 1 1 7 7 MET CA C 7 58.125 58.125 56.178 1.948 25568 992 1 6 . 1 1 7 7 MET CB C 7 29.062 29.062 29.861 -0.799 25568 993 1 6 . 1 1 7 7 MET H H 7 9.152 9.152 8.236 0.916 25568 994 1 6 . 1 1 8 8 TRP N N 8 122.588 122.588 120.287 2.301 25568 995 1 6 . 1 1 8 8 TRP HA H 8 4.626 4.626 4.692 -0.066 25568 996 1 6 . 1 1 8 8 TRP C C 8 174.497 174.497 176.167 -1.670 25568 997 1 6 . 1 1 8 8 TRP CA C 8 57.397 57.397 54.824 2.573 25568 998 1 6 . 1 1 8 8 TRP CB C 8 28.697 28.697 30.167 -1.470 25568 999 1 6 . 1 1 8 8 TRP H H 8 8.796 8.796 7.468 1.328 25568 1000 1 6 . 1 1 9 9 LYS N N 9 121.982 121.982 123.932 -1.950 25568 1001 1 6 . 1 1 9 9 LYS HA H 9 4.639 4.639 4.591 0.048 25568 1002 1 6 . 1 1 9 9 LYS C C 9 173.588 173.588 176.618 -3.030 25568 1003 1 6 . 1 1 9 9 LYS CA C 9 57.251 57.251 58.178 -0.927 25568 1004 1 6 . 1 1 9 9 LYS CB C 9 32.559 32.559 32.782 -0.223 25568 1005 1 6 . 1 1 9 9 LYS H H 9 8.289 8.289 8.673 -0.384 25568 1006 1 6 . 1 1 10 10 CYS N N 10 115.637 115.637 118.660 -3.023 25568 1007 1 6 . 1 1 10 10 CYS HA H 10 5.000 5.000 4.838 0.162 25568 1008 1 6 . 1 1 10 10 CYS C C 10 170.732 170.732 173.630 -2.898 25568 1009 1 6 . 1 1 10 10 CYS CA C 10 53.609 53.609 57.666 -4.056 25568 1010 1 6 . 1 1 10 10 CYS CB C 10 47.345 47.345 30.111 17.233 25568 1011 1 6 . 1 1 10 10 CYS H H 10 8.131 8.131 8.532 -0.401 25568 1012 1 6 . 1 1 11 11 LYS N N 11 119.567 119.567 120.733 -1.166 25568 1013 1 6 . 1 1 11 11 LYS HA H 11 4.429 4.429 4.344 0.085 25568 1014 1 6 . 1 1 11 11 LYS C C 11 174.737 174.737 175.885 -1.148 25568 1015 1 6 . 1 1 11 11 LYS CA C 11 57.470 57.470 57.324 0.146 25568 1016 1 6 . 1 1 11 11 LYS CB C 11 34.015 34.015 32.619 1.396 25568 1017 1 6 . 1 1 11 11 LYS H H 11 9.543 9.543 8.759 0.784 25568 1018 1 6 . 1 1 12 12 ASN N N 12 115.051 115.051 113.365 1.686 25568 1019 1 6 . 1 1 12 12 ASN HA H 12 4.723 4.723 4.771 -0.048 25568 1020 1 6 . 1 1 12 12 ASN C C 12 174.896 174.896 174.778 0.118 25568 1021 1 6 . 1 1 12 12 ASN CA C 12 52.079 52.079 52.275 -0.196 25568 1022 1 6 . 1 1 12 12 ASN CB C 12 40.935 40.935 39.127 1.808 25568 1023 1 6 . 1 1 12 12 ASN H H 12 8.125 8.125 7.402 0.723 25568 1024 1 6 . 1 1 13 13 SER N N 13 117.741 117.741 113.345 4.396 25568 1025 1 6 . 1 1 13 13 SER HA H 13 4.116 4.116 4.435 -0.319 25568 1026 1 6 . 1 1 13 13 SER C C 13 173.269 173.269 175.111 -1.842 25568 1027 1 6 . 1 1 13 13 SER CA C 13 63.151 63.151 60.743 2.408 25568 1028 1 6 . 1 1 13 13 SER CB C 13 62.968 62.968 62.821 0.147 25568 1029 1 6 . 1 1 13 13 SER H H 13 9.317 9.317 8.723 0.594 25568 1030 1 6 . 1 1 14 14 ASN N N 14 119.511 119.511 120.357 -0.846 25568 1031 1 6 . 1 1 14 14 ASN HA H 14 4.648 4.648 4.599 0.049 25568 1032 1 6 . 1 1 14 14 ASN C C 14 174.242 174.242 176.427 -2.185 25568 1033 1 6 . 1 1 14 14 ASN CA C 14 55.139 55.139 55.705 -0.566 25568 1034 1 6 . 1 1 14 14 ASN CB C 14 37.439 37.439 38.601 -1.162 25568 1035 1 6 . 1 1 14 14 ASN H H 14 8.579 8.579 7.780 0.799 25568 1036 1 6 . 1 1 15 15 ASP N N 15 116.823 116.823 119.315 -2.492 25568 1037 1 6 . 1 1 15 15 ASP HA H 15 4.687 4.687 4.644 0.043 25568 1038 1 6 . 1 1 15 15 ASP C C 15 175.614 175.614 175.986 -0.372 25568 1039 1 6 . 1 1 15 15 ASP CA C 15 55.721 55.721 55.952 -0.231 25568 1040 1 6 . 1 1 15 15 ASP CB C 15 42.465 42.465 41.593 0.872 25568 1041 1 6 . 1 1 15 15 ASP H H 15 7.797 7.797 7.914 -0.117 25568 1042 1 6 . 1 1 16 16 CYS N N 16 118.609 118.609 117.257 1.352 25568 1043 1 6 . 1 1 16 16 CYS HA H 16 5.083 5.083 4.467 0.616 25568 1044 1 6 . 1 1 16 16 CYS C C 16 172.327 172.327 176.113 -3.786 25568 1045 1 6 . 1 1 16 16 CYS CA C 16 53.682 53.682 60.573 -6.891 25568 1046 1 6 . 1 1 16 16 CYS CB C 16 41.809 41.809 27.483 14.326 25568 1047 1 6 . 1 1 16 16 CYS H H 16 7.816 7.816 7.586 0.230 25568 1048 1 6 . 1 1 17 17 CYS N N 17 120.994 120.994 125.208 -4.214 25568 1049 1 6 . 1 1 17 17 CYS HA H 17 4.511 4.511 4.337 0.174 25568 1050 1 6 . 1 1 17 17 CYS C C 17 170.811 170.811 175.073 -4.262 25568 1051 1 6 . 1 1 17 17 CYS CA C 17 54.483 54.483 60.743 -6.260 25568 1052 1 6 . 1 1 17 17 CYS CB C 17 40.134 40.134 27.339 12.795 25568 1053 1 6 . 1 1 17 17 CYS H H 17 9.560 9.560 8.588 0.972 25568 1054 1 6 . 1 1 18 18 LYS N N 18 118.089 118.089 118.669 -0.580 25568 1055 1 6 . 1 1 18 18 LYS HA H 18 4.052 4.052 4.364 -0.312 25568 1056 1 6 . 1 1 18 18 LYS C C 18 174.322 174.322 175.113 -0.791 25568 1057 1 6 . 1 1 18 18 LYS CA C 18 58.562 58.562 56.272 2.290 25568 1058 1 6 . 1 1 18 18 LYS CB C 18 32.631 32.631 33.724 -1.093 25568 1059 1 6 . 1 1 18 18 LYS H H 18 8.004 8.004 7.542 0.462 25568 1060 1 6 . 1 1 19 19 ASP N N 19 116.375 116.375 121.449 -5.074 25568 1061 1 6 . 1 1 19 19 ASP HA H 19 4.295 4.295 4.386 -0.091 25568 1062 1 6 . 1 1 19 19 ASP C C 19 172.790 172.790 174.285 -1.495 25568 1063 1 6 . 1 1 19 19 ASP CA C 19 56.741 56.741 55.314 1.427 25568 1064 1 6 . 1 1 19 19 ASP CB C 19 38.677 38.677 40.660 -1.983 25568 1065 1 6 . 1 1 19 19 ASP H H 19 8.715 8.715 8.583 0.132 25568 1066 1 6 . 1 1 20 20 LEU N N 20 120.437 120.437 116.713 3.724 25568 1067 1 6 . 1 1 20 20 LEU HA H 20 5.229 5.229 4.984 0.245 25568 1068 1 6 . 1 1 20 20 LEU C C 20 173.971 173.971 176.235 -2.264 25568 1069 1 6 . 1 1 20 20 LEU CA C 20 54.920 54.920 53.044 1.876 25568 1070 1 6 . 1 1 20 20 LEU CB C 20 44.577 44.577 45.705 -1.128 25568 1071 1 6 . 1 1 20 20 LEU H H 20 8.286 8.286 7.486 0.800 25568 1072 1 6 . 1 1 21 21 VAL N N 21 112.441 112.441 116.284 -3.843 25568 1073 1 6 . 1 1 21 21 VAL HA H 21 4.579 4.579 4.507 0.072 25568 1074 1 6 . 1 1 21 21 VAL C C 21 172.790 172.790 175.084 -2.294 25568 1075 1 6 . 1 1 21 21 VAL CA C 21 58.999 58.999 60.669 -1.670 25568 1076 1 6 . 1 1 21 21 VAL CB C 21 35.836 35.836 34.556 1.280 25568 1077 1 6 . 1 1 21 21 VAL H H 21 9.324 9.324 8.553 0.771 25568 1078 1 6 . 1 1 22 22 CYS N N 22 121.656 121.656 127.417 -5.761 25568 1079 1 6 . 1 1 22 22 CYS HA H 22 4.806 4.806 4.585 0.221 25568 1080 1 6 . 1 1 22 22 CYS C C 22 173.348 173.348 175.274 -1.926 25568 1081 1 6 . 1 1 22 22 CYS CA C 22 54.629 54.629 59.817 -5.188 25568 1082 1 6 . 1 1 22 22 CYS CB C 22 39.843 39.843 25.252 14.591 25568 1083 1 6 . 1 1 22 22 CYS H H 22 8.806 8.806 8.792 0.014 25568 1084 1 6 . 1 1 23 23 SER N N 23 124.577 124.577 124.624 -0.047 25568 1085 1 6 . 1 1 23 23 SER HA H 23 4.397 4.397 4.767 -0.370 25568 1086 1 6 . 1 1 23 23 SER C C 23 175.215 175.215 174.632 0.583 25568 1087 1 6 . 1 1 23 23 SER CA C 23 58.271 58.271 57.858 0.413 25568 1088 1 6 . 1 1 23 23 SER CB C 23 63.442 63.442 64.644 -1.202 25568 1089 1 6 . 1 1 23 23 SER H H 23 8.391 8.391 8.280 0.111 25568 1090 1 6 . 1 1 24 24 SER N N 24 126.697 126.697 122.253 4.444 25568 1091 1 6 . 1 1 24 24 SER HA H 24 4.129 4.129 4.094 0.035 25568 1092 1 6 . 1 1 24 24 SER C C 24 172.950 172.950 175.046 -2.096 25568 1093 1 6 . 1 1 24 24 SER CA C 24 60.747 60.747 60.250 0.497 25568 1094 1 6 . 1 1 24 24 SER CB C 24 62.430 62.430 63.201 -0.771 25568 1095 1 6 . 1 1 24 24 SER H H 24 9.050 9.050 8.885 0.165 25568 1096 1 6 . 1 1 25 25 ARG N N 25 120.375 120.375 119.680 0.695 25568 1097 1 6 . 1 1 25 25 ARG HA H 25 3.867 3.867 3.887 -0.020 25568 1098 1 6 . 1 1 25 25 ARG C C 25 175.662 175.662 176.583 -0.921 25568 1099 1 6 . 1 1 25 25 ARG CA C 25 57.542 57.542 57.834 -0.292 25568 1100 1 6 . 1 1 25 25 ARG CB C 25 30.592 30.592 29.539 1.053 25568 1101 1 6 . 1 1 25 25 ARG H H 25 7.499 7.499 8.121 -0.622 25568 1102 1 6 . 1 1 26 26 TRP N N 26 115.667 115.667 117.588 -1.921 25568 1103 1 6 . 1 1 26 26 TRP HA H 26 4.168 4.168 4.203 -0.035 25568 1104 1 6 . 1 1 26 26 TRP C C 26 173.077 173.077 175.114 -2.037 25568 1105 1 6 . 1 1 26 26 TRP CA C 26 56.158 56.158 56.190 -0.032 25568 1106 1 6 . 1 1 26 26 TRP CB C 26 28.553 28.553 29.195 -0.642 25568 1107 1 6 . 1 1 26 26 TRP H H 26 7.098 7.098 7.189 -0.091 25568 1108 1 6 . 1 1 27 27 LYS N N 27 112.484 112.484 112.907 -0.423 25568 1109 1 6 . 1 1 27 27 LYS HA H 27 3.881 3.881 3.934 -0.053 25568 1110 1 6 . 1 1 27 27 LYS C C 27 173.971 173.971 174.832 -0.861 25568 1111 1 6 . 1 1 27 27 LYS CA C 27 56.287 56.287 57.429 -1.142 25568 1112 1 6 . 1 1 27 27 LYS CB C 27 27.169 27.169 29.407 -2.237 25568 1113 1 6 . 1 1 27 27 LYS H H 27 8.001 8.001 7.899 0.102 25568 1114 1 6 . 1 1 28 28 TRP N N 28 110.998 110.998 113.846 -2.848 25568 1115 1 6 . 1 1 28 28 TRP HA H 28 5.581 5.581 5.016 0.565 25568 1116 1 6 . 1 1 28 28 TRP C C 28 175.710 175.710 174.981 0.729 25568 1117 1 6 . 1 1 28 28 TRP CA C 28 55.284 55.284 55.306 -0.022 25568 1118 1 6 . 1 1 28 28 TRP CB C 28 30.519 30.519 30.069 0.450 25568 1119 1 6 . 1 1 28 28 TRP H H 28 6.947 6.947 7.627 -0.680 25568 1120 1 6 . 1 1 29 29 CYS N N 29 121.176 121.176 121.542 -0.366 25568 1121 1 6 . 1 1 29 29 CYS HA H 29 5.254 5.254 5.063 0.191 25568 1122 1 6 . 1 1 29 29 CYS C C 29 173.157 173.157 175.079 -1.922 25568 1123 1 6 . 1 1 29 29 CYS CA C 29 56.596 56.596 61.086 -4.490 25568 1124 1 6 . 1 1 29 29 CYS CB C 29 41.518 41.518 26.217 15.301 25568 1125 1 6 . 1 1 29 29 CYS H H 29 9.113 9.113 8.764 0.349 25568 1126 1 6 . 1 1 30 30 VAL N N 30 117.187 117.187 120.666 -3.479 25568 1127 1 6 . 1 1 30 30 VAL HA H 30 5.139 5.139 5.020 0.119 25568 1128 1 6 . 1 1 30 30 VAL C C 30 173.269 173.269 174.771 -1.502 25568 1129 1 6 . 1 1 30 30 VAL CA C 30 59.800 59.800 59.972 -0.172 25568 1130 1 6 . 1 1 30 30 VAL CB C 30 35.909 35.909 35.321 0.588 25568 1131 1 6 . 1 1 30 30 VAL H H 30 9.923 9.923 9.073 0.850 25568 1132 1 6 . 1 1 31 31 LEU N N 31 120.354 120.354 124.447 -4.093 25568 1133 1 6 . 1 1 31 31 LEU HA H 31 4.406 4.406 4.216 0.190 25568 1134 1 6 . 1 1 31 31 LEU C C 31 176.285 176.285 177.578 -1.293 25568 1135 1 6 . 1 1 31 31 LEU CA C 31 56.668 56.668 54.842 1.826 25568 1136 1 6 . 1 1 31 31 LEU CB C 31 41.882 41.882 39.994 1.888 25568 1137 1 6 . 1 1 31 31 LEU H H 31 8.331 8.331 8.598 -0.267 25568 1138 1 6 . 1 1 32 32 ALA N N 32 124.391 124.391 129.851 -5.460 25568 1139 1 6 . 1 1 32 32 ALA HA H 32 4.201 4.201 4.291 -0.090 25568 1140 1 6 . 1 1 32 32 ALA C C 32 175.758 175.758 177.354 -1.596 25568 1141 1 6 . 1 1 32 32 ALA CA C 32 52.881 52.881 52.165 0.716 25568 1142 1 6 . 1 1 32 32 ALA CB C 32 19.229 19.229 19.364 -0.135 25568 1143 1 6 . 1 1 32 32 ALA H H 32 8.366 8.366 8.000 0.366 25568 1144 1 6 . 1 1 33 33 SER N N 33 115.562 115.562 118.980 -3.418 25568 1145 1 6 . 1 1 33 33 SER HA H 33 4.763 4.763 4.656 0.107 25568 1146 1 6 . 1 1 33 33 SER CA C 33 56.062 56.062 56.326 -0.264 25568 1147 1 6 . 1 1 33 33 SER CB C 33 63.765 63.765 63.842 -0.077 25568 1148 1 6 . 1 1 33 33 SER H H 33 8.188 8.188 8.289 -0.101 25568 1149 1 6 . 1 1 34 34 PRO HA H 34 4.387 4.387 4.497 -0.110 25568 1150 1 6 . 1 1 34 34 PRO C C 34 173.907 173.907 176.728 -2.821 25568 1151 1 6 . 1 1 34 34 PRO CA C 34 63.667 63.667 63.732 -0.065 25568 1152 1 6 . 1 1 34 34 PRO CB C 34 31.736 31.736 31.920 -0.184 25568 1153 1 7 . 1 1 2 2 GLU N N 2 121.648 121.648 122.942 -1.294 25568 1154 1 7 . 1 1 2 2 GLU HA H 2 4.501 4.501 4.306 0.195 25568 1155 1 7 . 1 1 2 2 GLU C C 2 173.747 173.747 175.870 -2.123 25568 1156 1 7 . 1 1 2 2 GLU CA C 2 56.086 56.086 56.583 -0.497 25568 1157 1 7 . 1 1 2 2 GLU CB C 2 30.592 30.592 30.085 0.507 25568 1158 1 7 . 1 1 2 2 GLU H H 2 8.802 8.802 8.520 0.282 25568 1159 1 7 . 1 1 3 3 CYS N N 3 119.267 119.267 116.648 2.619 25568 1160 1 7 . 1 1 3 3 CYS HA H 3 4.568 4.568 4.781 -0.213 25568 1161 1 7 . 1 1 3 3 CYS C C 3 171.833 171.833 174.815 -2.982 25568 1162 1 7 . 1 1 3 3 CYS CA C 3 54.337 54.337 57.050 -2.713 25568 1163 1 7 . 1 1 3 3 CYS CB C 3 41.809 41.809 30.034 11.775 25568 1164 1 7 . 1 1 3 3 CYS H H 3 8.252 8.252 7.998 0.254 25568 1165 1 7 . 1 1 4 4 GLY N N 4 107.188 107.188 107.613 -0.425 25568 1166 1 7 . 1 1 4 4 GLY CA C 4 46.766 46.766 45.510 1.256 25568 1167 1 7 . 1 1 4 4 GLY H H 4 8.642 8.642 8.498 0.144 25568 1168 1 7 . 1 1 5 5 LYS N N 5 124.281 124.281 116.879 7.402 25568 1169 1 7 . 1 1 5 5 LYS HA H 5 3.978 3.978 4.085 -0.107 25568 1170 1 7 . 1 1 5 5 LYS C C 5 172.710 172.710 174.253 -1.543 25568 1171 1 7 . 1 1 5 5 LYS CA C 5 54.483 54.483 54.832 -0.349 25568 1172 1 7 . 1 1 5 5 LYS CB C 5 32.688 32.688 33.963 -1.275 25568 1173 1 7 . 1 1 5 5 LYS H H 5 5.250 5.250 7.954 -2.704 25568 1174 1 7 . 1 1 6 6 PHE N N 6 119.437 119.437 120.483 -1.046 25568 1175 1 7 . 1 1 6 6 PHE HA H 6 4.077 4.077 4.324 -0.247 25568 1176 1 7 . 1 1 6 6 PHE C C 6 174.609 174.609 175.826 -1.217 25568 1177 1 7 . 1 1 6 6 PHE CA C 6 59.363 59.363 59.481 -0.118 25568 1178 1 7 . 1 1 6 6 PHE CB C 6 38.968 38.968 39.357 -0.389 25568 1179 1 7 . 1 1 6 6 PHE H H 6 8.141 8.141 8.203 -0.062 25568 1180 1 7 . 1 1 7 7 MET N N 7 118.789 118.789 120.375 -1.586 25568 1181 1 7 . 1 1 7 7 MET HA H 7 2.968 2.968 2.835 0.133 25568 1182 1 7 . 1 1 7 7 MET C C 7 174.035 174.035 174.169 -0.134 25568 1183 1 7 . 1 1 7 7 MET CA C 7 58.125 58.125 56.182 1.942 25568 1184 1 7 . 1 1 7 7 MET CB C 7 29.062 29.062 29.866 -0.804 25568 1185 1 7 . 1 1 7 7 MET H H 7 9.152 9.152 8.229 0.923 25568 1186 1 7 . 1 1 8 8 TRP N N 8 122.588 122.588 120.284 2.304 25568 1187 1 7 . 1 1 8 8 TRP HA H 8 4.626 4.626 4.691 -0.065 25568 1188 1 7 . 1 1 8 8 TRP C C 8 174.497 174.497 176.172 -1.675 25568 1189 1 7 . 1 1 8 8 TRP CA C 8 57.397 57.397 54.834 2.563 25568 1190 1 7 . 1 1 8 8 TRP CB C 8 28.697 28.697 30.162 -1.464 25568 1191 1 7 . 1 1 8 8 TRP H H 8 8.796 8.796 7.466 1.330 25568 1192 1 7 . 1 1 9 9 LYS N N 9 121.982 121.982 123.917 -1.935 25568 1193 1 7 . 1 1 9 9 LYS HA H 9 4.639 4.639 4.588 0.051 25568 1194 1 7 . 1 1 9 9 LYS C C 9 173.588 173.588 176.590 -3.002 25568 1195 1 7 . 1 1 9 9 LYS CA C 9 57.251 57.251 58.193 -0.942 25568 1196 1 7 . 1 1 9 9 LYS CB C 9 32.559 32.559 32.811 -0.252 25568 1197 1 7 . 1 1 9 9 LYS H H 9 8.289 8.289 8.673 -0.384 25568 1198 1 7 . 1 1 10 10 CYS N N 10 115.637 115.637 118.842 -3.205 25568 1199 1 7 . 1 1 10 10 CYS HA H 10 5.000 5.000 4.855 0.145 25568 1200 1 7 . 1 1 10 10 CYS C C 10 170.732 170.732 173.655 -2.923 25568 1201 1 7 . 1 1 10 10 CYS CA C 10 53.609 53.609 57.643 -4.034 25568 1202 1 7 . 1 1 10 10 CYS CB C 10 47.345 47.345 29.901 17.445 25568 1203 1 7 . 1 1 10 10 CYS H H 10 8.131 8.131 8.532 -0.401 25568 1204 1 7 . 1 1 11 11 LYS N N 11 119.567 119.567 121.524 -1.957 25568 1205 1 7 . 1 1 11 11 LYS HA H 11 4.429 4.429 4.345 0.084 25568 1206 1 7 . 1 1 11 11 LYS C C 11 174.737 174.737 175.583 -0.846 25568 1207 1 7 . 1 1 11 11 LYS CA C 11 57.470 57.470 57.637 -0.167 25568 1208 1 7 . 1 1 11 11 LYS CB C 11 34.015 34.015 32.822 1.193 25568 1209 1 7 . 1 1 11 11 LYS H H 11 9.543 9.543 8.813 0.730 25568 1210 1 7 . 1 1 12 12 ASN N N 12 115.051 115.051 113.882 1.169 25568 1211 1 7 . 1 1 12 12 ASN HA H 12 4.723 4.723 4.786 -0.063 25568 1212 1 7 . 1 1 12 12 ASN C C 12 174.896 174.896 174.552 0.344 25568 1213 1 7 . 1 1 12 12 ASN CA C 12 52.079 52.079 52.255 -0.176 25568 1214 1 7 . 1 1 12 12 ASN CB C 12 40.935 40.935 39.434 1.500 25568 1215 1 7 . 1 1 12 12 ASN H H 12 8.125 8.125 7.617 0.508 25568 1216 1 7 . 1 1 13 13 SER N N 13 117.741 117.741 113.877 3.864 25568 1217 1 7 . 1 1 13 13 SER HA H 13 4.116 4.116 4.362 -0.246 25568 1218 1 7 . 1 1 13 13 SER C C 13 173.269 173.269 175.242 -1.973 25568 1219 1 7 . 1 1 13 13 SER CA C 13 63.151 63.151 59.920 3.231 25568 1220 1 7 . 1 1 13 13 SER CB C 13 62.968 62.968 63.166 -0.198 25568 1221 1 7 . 1 1 13 13 SER H H 13 9.317 9.317 8.645 0.672 25568 1222 1 7 . 1 1 14 14 ASN N N 14 119.511 119.511 119.551 -0.040 25568 1223 1 7 . 1 1 14 14 ASN HA H 14 4.648 4.648 4.545 0.103 25568 1224 1 7 . 1 1 14 14 ASN C C 14 174.242 174.242 176.164 -1.922 25568 1225 1 7 . 1 1 14 14 ASN CA C 14 55.139 55.139 55.285 -0.146 25568 1226 1 7 . 1 1 14 14 ASN CB C 14 37.439 37.439 38.563 -1.125 25568 1227 1 7 . 1 1 14 14 ASN H H 14 8.579 8.579 7.887 0.692 25568 1228 1 7 . 1 1 15 15 ASP N N 15 116.823 116.823 119.187 -2.364 25568 1229 1 7 . 1 1 15 15 ASP HA H 15 4.687 4.687 4.627 0.060 25568 1230 1 7 . 1 1 15 15 ASP C C 15 175.614 175.614 175.997 -0.383 25568 1231 1 7 . 1 1 15 15 ASP CA C 15 55.721 55.721 55.735 -0.014 25568 1232 1 7 . 1 1 15 15 ASP CB C 15 42.465 42.465 41.600 0.865 25568 1233 1 7 . 1 1 15 15 ASP H H 15 7.797 7.797 7.867 -0.070 25568 1234 1 7 . 1 1 16 16 CYS N N 16 118.609 118.609 117.469 1.140 25568 1235 1 7 . 1 1 16 16 CYS HA H 16 5.083 5.083 4.458 0.625 25568 1236 1 7 . 1 1 16 16 CYS C C 16 172.327 172.327 176.061 -3.734 25568 1237 1 7 . 1 1 16 16 CYS CA C 16 53.682 53.682 60.592 -6.910 25568 1238 1 7 . 1 1 16 16 CYS CB C 16 41.809 41.809 27.447 14.362 25568 1239 1 7 . 1 1 16 16 CYS H H 16 7.816 7.816 7.580 0.236 25568 1240 1 7 . 1 1 17 17 CYS N N 17 120.994 120.994 124.596 -3.602 25568 1241 1 7 . 1 1 17 17 CYS HA H 17 4.511 4.511 4.339 0.172 25568 1242 1 7 . 1 1 17 17 CYS C C 17 170.811 170.811 174.942 -4.131 25568 1243 1 7 . 1 1 17 17 CYS CA C 17 54.483 54.483 60.599 -6.116 25568 1244 1 7 . 1 1 17 17 CYS CB C 17 40.134 40.134 27.323 12.811 25568 1245 1 7 . 1 1 17 17 CYS H H 17 9.560 9.560 8.531 1.028 25568 1246 1 7 . 1 1 18 18 LYS N N 18 118.089 118.089 118.910 -0.821 25568 1247 1 7 . 1 1 18 18 LYS HA H 18 4.052 4.052 4.359 -0.307 25568 1248 1 7 . 1 1 18 18 LYS C C 18 174.322 174.322 175.268 -0.946 25568 1249 1 7 . 1 1 18 18 LYS CA C 18 58.562 58.562 56.200 2.362 25568 1250 1 7 . 1 1 18 18 LYS CB C 18 32.631 32.631 33.596 -0.965 25568 1251 1 7 . 1 1 18 18 LYS H H 18 8.004 8.004 7.629 0.375 25568 1252 1 7 . 1 1 19 19 ASP N N 19 116.375 116.375 121.379 -5.004 25568 1253 1 7 . 1 1 19 19 ASP HA H 19 4.295 4.295 4.380 -0.085 25568 1254 1 7 . 1 1 19 19 ASP C C 19 172.790 172.790 174.090 -1.300 25568 1255 1 7 . 1 1 19 19 ASP CA C 19 56.741 56.741 55.378 1.363 25568 1256 1 7 . 1 1 19 19 ASP CB C 19 38.677 38.677 40.751 -2.074 25568 1257 1 7 . 1 1 19 19 ASP H H 19 8.715 8.715 8.650 0.065 25568 1258 1 7 . 1 1 20 20 LEU N N 20 120.437 120.437 116.971 3.466 25568 1259 1 7 . 1 1 20 20 LEU HA H 20 5.229 5.229 4.962 0.267 25568 1260 1 7 . 1 1 20 20 LEU C C 20 173.971 173.971 176.273 -2.302 25568 1261 1 7 . 1 1 20 20 LEU CA C 20 54.920 54.920 52.858 2.062 25568 1262 1 7 . 1 1 20 20 LEU CB C 20 44.577 44.577 45.379 -0.802 25568 1263 1 7 . 1 1 20 20 LEU H H 20 8.286 8.286 7.473 0.813 25568 1264 1 7 . 1 1 21 21 VAL N N 21 112.441 112.441 116.145 -3.704 25568 1265 1 7 . 1 1 21 21 VAL HA H 21 4.579 4.579 4.498 0.081 25568 1266 1 7 . 1 1 21 21 VAL C C 21 172.790 172.790 175.060 -2.270 25568 1267 1 7 . 1 1 21 21 VAL CA C 21 58.999 58.999 60.670 -1.671 25568 1268 1 7 . 1 1 21 21 VAL CB C 21 35.836 35.836 34.536 1.300 25568 1269 1 7 . 1 1 21 21 VAL H H 21 9.324 9.324 8.530 0.794 25568 1270 1 7 . 1 1 22 22 CYS N N 22 121.656 121.656 126.815 -5.159 25568 1271 1 7 . 1 1 22 22 CYS HA H 22 4.806 4.806 4.580 0.226 25568 1272 1 7 . 1 1 22 22 CYS C C 22 173.348 173.348 175.506 -2.158 25568 1273 1 7 . 1 1 22 22 CYS CA C 22 54.629 54.629 60.002 -5.373 25568 1274 1 7 . 1 1 22 22 CYS CB C 22 39.843 39.843 25.292 14.551 25568 1275 1 7 . 1 1 22 22 CYS H H 22 8.806 8.806 8.799 0.007 25568 1276 1 7 . 1 1 23 23 SER N N 23 124.577 124.577 123.903 0.674 25568 1277 1 7 . 1 1 23 23 SER HA H 23 4.397 4.397 4.817 -0.420 25568 1278 1 7 . 1 1 23 23 SER C C 23 175.215 175.215 174.224 0.991 25568 1279 1 7 . 1 1 23 23 SER CA C 23 58.271 58.271 57.266 1.005 25568 1280 1 7 . 1 1 23 23 SER CB C 23 63.442 63.442 65.442 -2.000 25568 1281 1 7 . 1 1 23 23 SER H H 23 8.391 8.391 8.247 0.144 25568 1282 1 7 . 1 1 24 24 SER N N 24 126.697 126.697 122.465 4.232 25568 1283 1 7 . 1 1 24 24 SER HA H 24 4.129 4.129 4.088 0.041 25568 1284 1 7 . 1 1 24 24 SER C C 24 172.950 172.950 175.519 -2.569 25568 1285 1 7 . 1 1 24 24 SER CA C 24 60.747 60.747 60.671 0.076 25568 1286 1 7 . 1 1 24 24 SER CB C 24 62.430 62.430 63.377 -0.947 25568 1287 1 7 . 1 1 24 24 SER H H 24 9.050 9.050 8.886 0.164 25568 1288 1 7 . 1 1 25 25 ARG N N 25 120.375 120.375 121.685 -1.310 25568 1289 1 7 . 1 1 25 25 ARG HA H 25 3.867 3.867 3.848 0.019 25568 1290 1 7 . 1 1 25 25 ARG C C 25 175.662 175.662 176.326 -0.664 25568 1291 1 7 . 1 1 25 25 ARG CA C 25 57.542 57.542 57.961 -0.419 25568 1292 1 7 . 1 1 25 25 ARG CB C 25 30.592 30.592 29.659 0.933 25568 1293 1 7 . 1 1 25 25 ARG H H 25 7.499 7.499 8.120 -0.621 25568 1294 1 7 . 1 1 26 26 TRP N N 26 115.667 115.667 116.343 -0.676 25568 1295 1 7 . 1 1 26 26 TRP HA H 26 4.168 4.168 4.181 -0.013 25568 1296 1 7 . 1 1 26 26 TRP C C 26 173.077 173.077 174.799 -1.722 25568 1297 1 7 . 1 1 26 26 TRP CA C 26 56.158 56.158 56.145 0.013 25568 1298 1 7 . 1 1 26 26 TRP CB C 26 28.553 28.553 29.417 -0.864 25568 1299 1 7 . 1 1 26 26 TRP H H 26 7.098 7.098 7.038 0.060 25568 1300 1 7 . 1 1 27 27 LYS N N 27 112.484 112.484 112.549 -0.065 25568 1301 1 7 . 1 1 27 27 LYS HA H 27 3.881 3.881 3.991 -0.110 25568 1302 1 7 . 1 1 27 27 LYS C C 27 173.971 173.971 174.837 -0.866 25568 1303 1 7 . 1 1 27 27 LYS CA C 27 56.287 56.287 56.973 -0.686 25568 1304 1 7 . 1 1 27 27 LYS CB C 27 27.169 27.169 29.846 -2.677 25568 1305 1 7 . 1 1 27 27 LYS H H 27 8.001 8.001 7.692 0.309 25568 1306 1 7 . 1 1 28 28 TRP N N 28 110.998 110.998 113.829 -2.831 25568 1307 1 7 . 1 1 28 28 TRP HA H 28 5.581 5.581 5.016 0.565 25568 1308 1 7 . 1 1 28 28 TRP C C 28 175.710 175.710 174.979 0.731 25568 1309 1 7 . 1 1 28 28 TRP CA C 28 55.284 55.284 55.315 -0.030 25568 1310 1 7 . 1 1 28 28 TRP CB C 28 30.519 30.519 30.063 0.456 25568 1311 1 7 . 1 1 28 28 TRP H H 28 6.947 6.947 7.624 -0.677 25568 1312 1 7 . 1 1 29 29 CYS N N 29 121.176 121.176 122.050 -0.874 25568 1313 1 7 . 1 1 29 29 CYS HA H 29 5.254 5.254 5.094 0.160 25568 1314 1 7 . 1 1 29 29 CYS C C 29 173.157 173.157 174.960 -1.803 25568 1315 1 7 . 1 1 29 29 CYS CA C 29 56.596 56.596 60.866 -4.270 25568 1316 1 7 . 1 1 29 29 CYS CB C 29 41.518 41.518 26.452 15.066 25568 1317 1 7 . 1 1 29 29 CYS H H 29 9.113 9.113 8.794 0.319 25568 1318 1 7 . 1 1 30 30 VAL N N 30 117.187 117.187 121.070 -3.883 25568 1319 1 7 . 1 1 30 30 VAL HA H 30 5.139 5.139 5.046 0.093 25568 1320 1 7 . 1 1 30 30 VAL C C 30 173.269 173.269 174.801 -1.532 25568 1321 1 7 . 1 1 30 30 VAL CA C 30 59.800 59.800 59.346 0.454 25568 1322 1 7 . 1 1 30 30 VAL CB C 30 35.909 35.909 34.997 0.912 25568 1323 1 7 . 1 1 30 30 VAL H H 30 9.923 9.923 9.106 0.817 25568 1324 1 7 . 1 1 31 31 LEU N N 31 120.354 120.354 124.235 -3.881 25568 1325 1 7 . 1 1 31 31 LEU HA H 31 4.406 4.406 4.164 0.242 25568 1326 1 7 . 1 1 31 31 LEU C C 31 176.285 176.285 177.819 -1.534 25568 1327 1 7 . 1 1 31 31 LEU CA C 31 56.668 56.668 54.996 1.672 25568 1328 1 7 . 1 1 31 31 LEU CB C 31 41.882 41.882 40.076 1.806 25568 1329 1 7 . 1 1 31 31 LEU H H 31 8.331 8.331 8.566 -0.235 25568 1330 1 7 . 1 1 32 32 ALA N N 32 124.391 124.391 128.898 -4.507 25568 1331 1 7 . 1 1 32 32 ALA HA H 32 4.201 4.201 4.230 -0.029 25568 1332 1 7 . 1 1 32 32 ALA C C 32 175.758 175.758 176.542 -0.784 25568 1333 1 7 . 1 1 32 32 ALA CA C 32 52.881 52.881 52.942 -0.061 25568 1334 1 7 . 1 1 32 32 ALA CB C 32 19.229 19.229 19.380 -0.151 25568 1335 1 7 . 1 1 32 32 ALA H H 32 8.366 8.366 7.815 0.551 25568 1336 1 7 . 1 1 33 33 SER N N 33 115.562 115.562 118.693 -3.131 25568 1337 1 7 . 1 1 33 33 SER HA H 33 4.763 4.763 4.769 -0.006 25568 1338 1 7 . 1 1 33 33 SER CA C 33 56.062 56.062 57.046 -0.984 25568 1339 1 7 . 1 1 33 33 SER CB C 33 63.765 63.765 63.902 -0.137 25568 1340 1 7 . 1 1 33 33 SER H H 33 8.188 8.188 8.241 -0.053 25568 1341 1 7 . 1 1 34 34 PRO HA H 34 4.387 4.387 4.398 -0.011 25568 1342 1 7 . 1 1 34 34 PRO C C 34 173.907 173.907 176.414 -2.507 25568 1343 1 7 . 1 1 34 34 PRO CA C 34 63.667 63.667 64.094 -0.427 25568 1344 1 7 . 1 1 34 34 PRO CB C 34 31.736 31.736 31.952 -0.216 25568 1345 1 8 . 1 1 2 2 GLU N N 2 121.648 121.648 120.588 1.060 25568 1346 1 8 . 1 1 2 2 GLU HA H 2 4.501 4.501 4.517 -0.016 25568 1347 1 8 . 1 1 2 2 GLU C C 2 173.747 173.747 175.905 -2.158 25568 1348 1 8 . 1 1 2 2 GLU CA C 2 56.086 56.086 56.270 -0.184 25568 1349 1 8 . 1 1 2 2 GLU CB C 2 30.592 30.592 30.395 0.197 25568 1350 1 8 . 1 1 2 2 GLU H H 2 8.802 8.802 8.497 0.305 25568 1351 1 8 . 1 1 3 3 CYS N N 3 119.267 119.267 116.896 2.371 25568 1352 1 8 . 1 1 3 3 CYS HA H 3 4.568 4.568 4.780 -0.212 25568 1353 1 8 . 1 1 3 3 CYS C C 3 171.833 171.833 174.772 -2.939 25568 1354 1 8 . 1 1 3 3 CYS CA C 3 54.337 54.337 57.285 -2.948 25568 1355 1 8 . 1 1 3 3 CYS CB C 3 41.809 41.809 29.774 12.035 25568 1356 1 8 . 1 1 3 3 CYS H H 3 8.252 8.252 8.239 0.013 25568 1357 1 8 . 1 1 4 4 GLY N N 4 107.188 107.188 107.626 -0.438 25568 1358 1 8 . 1 1 4 4 GLY CA C 4 46.766 46.766 45.479 1.287 25568 1359 1 8 . 1 1 4 4 GLY H H 4 8.642 8.642 8.516 0.126 25568 1360 1 8 . 1 1 5 5 LYS N N 5 124.281 124.281 116.914 7.367 25568 1361 1 8 . 1 1 5 5 LYS HA H 5 3.978 3.978 4.082 -0.104 25568 1362 1 8 . 1 1 5 5 LYS C C 5 172.710 172.710 174.250 -1.540 25568 1363 1 8 . 1 1 5 5 LYS CA C 5 54.483 54.483 54.837 -0.354 25568 1364 1 8 . 1 1 5 5 LYS CB C 5 32.688 32.688 33.918 -1.230 25568 1365 1 8 . 1 1 5 5 LYS H H 5 5.250 5.250 7.932 -2.682 25568 1366 1 8 . 1 1 6 6 PHE N N 6 119.437 119.437 120.498 -1.061 25568 1367 1 8 . 1 1 6 6 PHE HA H 6 4.077 4.077 4.323 -0.246 25568 1368 1 8 . 1 1 6 6 PHE C C 6 174.609 174.609 175.821 -1.212 25568 1369 1 8 . 1 1 6 6 PHE CA C 6 59.363 59.363 59.464 -0.101 25568 1370 1 8 . 1 1 6 6 PHE CB C 6 38.968 38.968 39.346 -0.378 25568 1371 1 8 . 1 1 6 6 PHE H H 6 8.141 8.141 8.203 -0.062 25568 1372 1 8 . 1 1 7 7 MET N N 7 118.789 118.789 120.371 -1.582 25568 1373 1 8 . 1 1 7 7 MET HA H 7 2.968 2.968 2.844 0.124 25568 1374 1 8 . 1 1 7 7 MET C C 7 174.035 174.035 174.159 -0.124 25568 1375 1 8 . 1 1 7 7 MET CA C 7 58.125 58.125 56.190 1.935 25568 1376 1 8 . 1 1 7 7 MET CB C 7 29.062 29.062 29.852 -0.790 25568 1377 1 8 . 1 1 7 7 MET H H 7 9.152 9.152 8.247 0.905 25568 1378 1 8 . 1 1 8 8 TRP N N 8 122.588 122.588 120.316 2.272 25568 1379 1 8 . 1 1 8 8 TRP HA H 8 4.626 4.626 4.695 -0.069 25568 1380 1 8 . 1 1 8 8 TRP C C 8 174.497 174.497 176.107 -1.610 25568 1381 1 8 . 1 1 8 8 TRP CA C 8 57.397 57.397 54.769 2.628 25568 1382 1 8 . 1 1 8 8 TRP CB C 8 28.697 28.697 30.180 -1.483 25568 1383 1 8 . 1 1 8 8 TRP H H 8 8.796 8.796 7.467 1.329 25568 1384 1 8 . 1 1 9 9 LYS N N 9 121.982 121.982 123.889 -1.907 25568 1385 1 8 . 1 1 9 9 LYS HA H 9 4.639 4.639 4.588 0.051 25568 1386 1 8 . 1 1 9 9 LYS C C 9 173.588 173.588 176.452 -2.864 25568 1387 1 8 . 1 1 9 9 LYS CA C 9 57.251 57.251 58.036 -0.785 25568 1388 1 8 . 1 1 9 9 LYS CB C 9 32.559 32.559 32.644 -0.085 25568 1389 1 8 . 1 1 9 9 LYS H H 9 8.289 8.289 8.671 -0.382 25568 1390 1 8 . 1 1 10 10 CYS N N 10 115.637 115.637 118.609 -2.972 25568 1391 1 8 . 1 1 10 10 CYS HA H 10 5.000 5.000 4.854 0.146 25568 1392 1 8 . 1 1 10 10 CYS C C 10 170.732 170.732 173.855 -3.123 25568 1393 1 8 . 1 1 10 10 CYS CA C 10 53.609 53.609 57.437 -3.828 25568 1394 1 8 . 1 1 10 10 CYS CB C 10 47.345 47.345 30.059 17.286 25568 1395 1 8 . 1 1 10 10 CYS H H 10 8.131 8.131 8.555 -0.424 25568 1396 1 8 . 1 1 11 11 LYS N N 11 119.567 119.567 119.486 0.081 25568 1397 1 8 . 1 1 11 11 LYS HA H 11 4.429 4.429 4.289 0.140 25568 1398 1 8 . 1 1 11 11 LYS C C 11 174.737 174.737 175.704 -0.967 25568 1399 1 8 . 1 1 11 11 LYS CA C 11 57.470 57.470 57.333 0.137 25568 1400 1 8 . 1 1 11 11 LYS CB C 11 34.015 34.015 32.681 1.334 25568 1401 1 8 . 1 1 11 11 LYS H H 11 9.543 9.543 8.660 0.883 25568 1402 1 8 . 1 1 12 12 ASN N N 12 115.051 115.051 116.158 -1.107 25568 1403 1 8 . 1 1 12 12 ASN HA H 12 4.723 4.723 4.782 -0.059 25568 1404 1 8 . 1 1 12 12 ASN C C 12 174.896 174.896 174.813 0.083 25568 1405 1 8 . 1 1 12 12 ASN CA C 12 52.079 52.079 52.601 -0.522 25568 1406 1 8 . 1 1 12 12 ASN CB C 12 40.935 40.935 40.863 0.072 25568 1407 1 8 . 1 1 12 12 ASN H H 12 8.125 8.125 7.541 0.584 25568 1408 1 8 . 1 1 13 13 SER N N 13 117.741 117.741 114.844 2.897 25568 1409 1 8 . 1 1 13 13 SER HA H 13 4.116 4.116 4.514 -0.398 25568 1410 1 8 . 1 1 13 13 SER C C 13 173.269 173.269 175.265 -1.996 25568 1411 1 8 . 1 1 13 13 SER CA C 13 63.151 63.151 59.883 3.268 25568 1412 1 8 . 1 1 13 13 SER CB C 13 62.968 62.968 63.659 -0.691 25568 1413 1 8 . 1 1 13 13 SER H H 13 9.317 9.317 8.753 0.564 25568 1414 1 8 . 1 1 14 14 ASN N N 14 119.511 119.511 118.571 0.940 25568 1415 1 8 . 1 1 14 14 ASN HA H 14 4.648 4.648 4.626 0.022 25568 1416 1 8 . 1 1 14 14 ASN C C 14 174.242 174.242 176.252 -2.010 25568 1417 1 8 . 1 1 14 14 ASN CA C 14 55.139 55.139 54.587 0.553 25568 1418 1 8 . 1 1 14 14 ASN CB C 14 37.439 37.439 37.914 -0.476 25568 1419 1 8 . 1 1 14 14 ASN H H 14 8.579 8.579 8.275 0.304 25568 1420 1 8 . 1 1 15 15 ASP N N 15 116.823 116.823 119.694 -2.871 25568 1421 1 8 . 1 1 15 15 ASP HA H 15 4.687 4.687 4.641 0.046 25568 1422 1 8 . 1 1 15 15 ASP C C 15 175.614 175.614 176.099 -0.485 25568 1423 1 8 . 1 1 15 15 ASP CA C 15 55.721 55.721 55.448 0.273 25568 1424 1 8 . 1 1 15 15 ASP CB C 15 42.465 42.465 41.615 0.850 25568 1425 1 8 . 1 1 15 15 ASP H H 15 7.797 7.797 7.779 0.018 25568 1426 1 8 . 1 1 16 16 CYS N N 16 118.609 118.609 117.534 1.075 25568 1427 1 8 . 1 1 16 16 CYS HA H 16 5.083 5.083 4.456 0.627 25568 1428 1 8 . 1 1 16 16 CYS C C 16 172.327 172.327 176.070 -3.743 25568 1429 1 8 . 1 1 16 16 CYS CA C 16 53.682 53.682 60.564 -6.882 25568 1430 1 8 . 1 1 16 16 CYS CB C 16 41.809 41.809 27.435 14.374 25568 1431 1 8 . 1 1 16 16 CYS H H 16 7.816 7.816 7.602 0.214 25568 1432 1 8 . 1 1 17 17 CYS N N 17 120.994 120.994 125.211 -4.217 25568 1433 1 8 . 1 1 17 17 CYS HA H 17 4.511 4.511 4.331 0.180 25568 1434 1 8 . 1 1 17 17 CYS C C 17 170.811 170.811 175.075 -4.264 25568 1435 1 8 . 1 1 17 17 CYS CA C 17 54.483 54.483 60.745 -6.262 25568 1436 1 8 . 1 1 17 17 CYS CB C 17 40.134 40.134 27.337 12.797 25568 1437 1 8 . 1 1 17 17 CYS H H 17 9.560 9.560 8.587 0.973 25568 1438 1 8 . 1 1 18 18 LYS N N 18 118.089 118.089 119.000 -0.911 25568 1439 1 8 . 1 1 18 18 LYS HA H 18 4.052 4.052 4.390 -0.338 25568 1440 1 8 . 1 1 18 18 LYS C C 18 174.322 174.322 175.112 -0.790 25568 1441 1 8 . 1 1 18 18 LYS CA C 18 58.562 58.562 56.213 2.349 25568 1442 1 8 . 1 1 18 18 LYS CB C 18 32.631 32.631 33.909 -1.278 25568 1443 1 8 . 1 1 18 18 LYS H H 18 8.004 8.004 7.625 0.379 25568 1444 1 8 . 1 1 19 19 ASP N N 19 116.375 116.375 118.658 -2.283 25568 1445 1 8 . 1 1 19 19 ASP HA H 19 4.295 4.295 4.291 0.004 25568 1446 1 8 . 1 1 19 19 ASP C C 19 172.790 172.790 174.607 -1.817 25568 1447 1 8 . 1 1 19 19 ASP CA C 19 56.741 56.741 55.369 1.372 25568 1448 1 8 . 1 1 19 19 ASP CB C 19 38.677 38.677 40.433 -1.756 25568 1449 1 8 . 1 1 19 19 ASP H H 19 8.715 8.715 8.631 0.084 25568 1450 1 8 . 1 1 20 20 LEU N N 20 120.437 120.437 117.529 2.908 25568 1451 1 8 . 1 1 20 20 LEU HA H 20 5.229 5.229 5.040 0.189 25568 1452 1 8 . 1 1 20 20 LEU C C 20 173.971 173.971 176.480 -2.509 25568 1453 1 8 . 1 1 20 20 LEU CA C 20 54.920 54.920 53.171 1.749 25568 1454 1 8 . 1 1 20 20 LEU CB C 20 44.577 44.577 45.469 -0.892 25568 1455 1 8 . 1 1 20 20 LEU H H 20 8.286 8.286 7.494 0.792 25568 1456 1 8 . 1 1 21 21 VAL N N 21 112.441 112.441 116.160 -3.719 25568 1457 1 8 . 1 1 21 21 VAL HA H 21 4.579 4.579 4.509 0.070 25568 1458 1 8 . 1 1 21 21 VAL C C 21 172.790 172.790 175.099 -2.309 25568 1459 1 8 . 1 1 21 21 VAL CA C 21 58.999 58.999 60.876 -1.877 25568 1460 1 8 . 1 1 21 21 VAL CB C 21 35.836 35.836 34.772 1.064 25568 1461 1 8 . 1 1 21 21 VAL H H 21 9.324 9.324 8.538 0.786 25568 1462 1 8 . 1 1 22 22 CYS N N 22 121.656 121.656 126.858 -5.202 25568 1463 1 8 . 1 1 22 22 CYS HA H 22 4.806 4.806 4.588 0.218 25568 1464 1 8 . 1 1 22 22 CYS C C 22 173.348 173.348 175.429 -2.081 25568 1465 1 8 . 1 1 22 22 CYS CA C 22 54.629 54.629 60.006 -5.377 25568 1466 1 8 . 1 1 22 22 CYS CB C 22 39.843 39.843 25.343 14.500 25568 1467 1 8 . 1 1 22 22 CYS H H 22 8.806 8.806 8.811 -0.005 25568 1468 1 8 . 1 1 23 23 SER N N 23 124.577 124.577 123.900 0.677 25568 1469 1 8 . 1 1 23 23 SER HA H 23 4.397 4.397 4.830 -0.433 25568 1470 1 8 . 1 1 23 23 SER C C 23 175.215 175.215 174.553 0.662 25568 1471 1 8 . 1 1 23 23 SER CA C 23 58.271 58.271 57.109 1.162 25568 1472 1 8 . 1 1 23 23 SER CB C 23 63.442 63.442 64.945 -1.503 25568 1473 1 8 . 1 1 23 23 SER H H 23 8.391 8.391 8.233 0.158 25568 1474 1 8 . 1 1 24 24 SER N N 24 126.697 126.697 122.094 4.603 25568 1475 1 8 . 1 1 24 24 SER HA H 24 4.129 4.129 4.084 0.045 25568 1476 1 8 . 1 1 24 24 SER C C 24 172.950 172.950 175.145 -2.195 25568 1477 1 8 . 1 1 24 24 SER CA C 24 60.747 60.747 60.387 0.360 25568 1478 1 8 . 1 1 24 24 SER CB C 24 62.430 62.430 63.394 -0.964 25568 1479 1 8 . 1 1 24 24 SER H H 24 9.050 9.050 8.826 0.224 25568 1480 1 8 . 1 1 25 25 ARG N N 25 120.375 120.375 120.618 -0.243 25568 1481 1 8 . 1 1 25 25 ARG HA H 25 3.867 3.867 3.867 -0.000 25568 1482 1 8 . 1 1 25 25 ARG C C 25 175.662 175.662 176.311 -0.649 25568 1483 1 8 . 1 1 25 25 ARG CA C 25 57.542 57.542 57.679 -0.137 25568 1484 1 8 . 1 1 25 25 ARG CB C 25 30.592 30.592 29.631 0.961 25568 1485 1 8 . 1 1 25 25 ARG H H 25 7.499 7.499 8.075 -0.576 25568 1486 1 8 . 1 1 26 26 TRP N N 26 115.667 115.667 117.597 -1.930 25568 1487 1 8 . 1 1 26 26 TRP HA H 26 4.168 4.168 4.207 -0.039 25568 1488 1 8 . 1 1 26 26 TRP C C 26 173.077 173.077 175.077 -2.000 25568 1489 1 8 . 1 1 26 26 TRP CA C 26 56.158 56.158 56.186 -0.028 25568 1490 1 8 . 1 1 26 26 TRP CB C 26 28.553 28.553 29.242 -0.690 25568 1491 1 8 . 1 1 26 26 TRP H H 26 7.098 7.098 7.190 -0.092 25568 1492 1 8 . 1 1 27 27 LYS N N 27 112.484 112.484 112.957 -0.473 25568 1493 1 8 . 1 1 27 27 LYS HA H 27 3.881 3.881 3.935 -0.054 25568 1494 1 8 . 1 1 27 27 LYS C C 27 173.971 173.971 174.838 -0.867 25568 1495 1 8 . 1 1 27 27 LYS CA C 27 56.287 56.287 57.418 -1.131 25568 1496 1 8 . 1 1 27 27 LYS CB C 27 27.169 27.169 29.396 -2.227 25568 1497 1 8 . 1 1 27 27 LYS H H 27 8.001 8.001 7.899 0.102 25568 1498 1 8 . 1 1 28 28 TRP N N 28 110.998 110.998 113.843 -2.845 25568 1499 1 8 . 1 1 28 28 TRP HA H 28 5.581 5.581 5.016 0.565 25568 1500 1 8 . 1 1 28 28 TRP C C 28 175.710 175.710 174.981 0.729 25568 1501 1 8 . 1 1 28 28 TRP CA C 28 55.284 55.284 55.311 -0.027 25568 1502 1 8 . 1 1 28 28 TRP CB C 28 30.519 30.519 30.062 0.456 25568 1503 1 8 . 1 1 28 28 TRP H H 28 6.947 6.947 7.624 -0.677 25568 1504 1 8 . 1 1 29 29 CYS N N 29 121.176 121.176 121.722 -0.546 25568 1505 1 8 . 1 1 29 29 CYS HA H 29 5.254 5.254 5.051 0.203 25568 1506 1 8 . 1 1 29 29 CYS C C 29 173.157 173.157 175.199 -2.042 25568 1507 1 8 . 1 1 29 29 CYS CA C 29 56.596 56.596 60.554 -3.958 25568 1508 1 8 . 1 1 29 29 CYS CB C 29 41.518 41.518 26.459 15.059 25568 1509 1 8 . 1 1 29 29 CYS H H 29 9.113 9.113 8.753 0.360 25568 1510 1 8 . 1 1 30 30 VAL N N 30 117.187 117.187 119.292 -2.105 25568 1511 1 8 . 1 1 30 30 VAL HA H 30 5.139 5.139 5.101 0.038 25568 1512 1 8 . 1 1 30 30 VAL C C 30 173.269 173.269 174.882 -1.613 25568 1513 1 8 . 1 1 30 30 VAL CA C 30 59.800 59.800 59.859 -0.059 25568 1514 1 8 . 1 1 30 30 VAL CB C 30 35.909 35.909 35.353 0.556 25568 1515 1 8 . 1 1 30 30 VAL H H 30 9.923 9.923 9.059 0.864 25568 1516 1 8 . 1 1 31 31 LEU N N 31 120.354 120.354 123.914 -3.560 25568 1517 1 8 . 1 1 31 31 LEU HA H 31 4.406 4.406 4.219 0.187 25568 1518 1 8 . 1 1 31 31 LEU C C 31 176.285 176.285 177.573 -1.288 25568 1519 1 8 . 1 1 31 31 LEU CA C 31 56.668 56.668 54.972 1.696 25568 1520 1 8 . 1 1 31 31 LEU CB C 31 41.882 41.882 39.805 2.077 25568 1521 1 8 . 1 1 31 31 LEU H H 31 8.331 8.331 8.649 -0.318 25568 1522 1 8 . 1 1 32 32 ALA N N 32 124.391 124.391 129.225 -4.834 25568 1523 1 8 . 1 1 32 32 ALA HA H 32 4.201 4.201 4.276 -0.075 25568 1524 1 8 . 1 1 32 32 ALA C C 32 175.758 175.758 177.319 -1.561 25568 1525 1 8 . 1 1 32 32 ALA CA C 32 52.881 52.881 52.311 0.570 25568 1526 1 8 . 1 1 32 32 ALA CB C 32 19.229 19.229 19.450 -0.221 25568 1527 1 8 . 1 1 32 32 ALA H H 32 8.366 8.366 8.003 0.363 25568 1528 1 8 . 1 1 33 33 SER N N 33 115.562 115.562 117.087 -1.525 25568 1529 1 8 . 1 1 33 33 SER HA H 33 4.763 4.763 4.666 0.097 25568 1530 1 8 . 1 1 33 33 SER CA C 33 56.062 56.062 56.239 -0.177 25568 1531 1 8 . 1 1 33 33 SER CB C 33 63.765 63.765 64.136 -0.371 25568 1532 1 8 . 1 1 33 33 SER H H 33 8.188 8.188 8.398 -0.210 25568 1533 1 8 . 1 1 34 34 PRO HA H 34 4.387 4.387 4.573 -0.186 25568 1534 1 8 . 1 1 34 34 PRO C C 34 173.907 173.907 176.764 -2.857 25568 1535 1 8 . 1 1 34 34 PRO CA C 34 63.667 63.667 64.276 -0.609 25568 1536 1 8 . 1 1 34 34 PRO CB C 34 31.736 31.736 32.127 -0.391 25568 1537 1 9 . 1 1 2 2 GLU N N 2 121.648 121.648 120.867 0.781 25568 1538 1 9 . 1 1 2 2 GLU HA H 2 4.501 4.501 4.598 -0.097 25568 1539 1 9 . 1 1 2 2 GLU C C 2 173.747 173.747 175.552 -1.805 25568 1540 1 9 . 1 1 2 2 GLU CA C 2 56.086 56.086 55.949 0.137 25568 1541 1 9 . 1 1 2 2 GLU CB C 2 30.592 30.592 30.717 -0.125 25568 1542 1 9 . 1 1 2 2 GLU H H 2 8.802 8.802 8.567 0.235 25568 1543 1 9 . 1 1 3 3 CYS N N 3 119.267 119.267 117.925 1.342 25568 1544 1 9 . 1 1 3 3 CYS HA H 3 4.568 4.568 4.835 -0.267 25568 1545 1 9 . 1 1 3 3 CYS C C 3 171.833 171.833 174.716 -2.883 25568 1546 1 9 . 1 1 3 3 CYS CA C 3 54.337 54.337 57.513 -3.176 25568 1547 1 9 . 1 1 3 3 CYS CB C 3 41.809 41.809 29.789 12.020 25568 1548 1 9 . 1 1 3 3 CYS H H 3 8.252 8.252 8.334 -0.082 25568 1549 1 9 . 1 1 4 4 GLY N N 4 107.188 107.188 107.664 -0.476 25568 1550 1 9 . 1 1 4 4 GLY CA C 4 46.766 46.766 45.456 1.310 25568 1551 1 9 . 1 1 4 4 GLY H H 4 8.642 8.642 8.549 0.093 25568 1552 1 9 . 1 1 5 5 LYS N N 5 124.281 124.281 117.065 7.216 25568 1553 1 9 . 1 1 5 5 LYS HA H 5 3.978 3.978 4.077 -0.099 25568 1554 1 9 . 1 1 5 5 LYS C C 5 172.710 172.710 174.245 -1.535 25568 1555 1 9 . 1 1 5 5 LYS CA C 5 54.483 54.483 54.878 -0.395 25568 1556 1 9 . 1 1 5 5 LYS CB C 5 32.688 32.688 33.770 -1.082 25568 1557 1 9 . 1 1 5 5 LYS H H 5 5.250 5.250 7.924 -2.674 25568 1558 1 9 . 1 1 6 6 PHE N N 6 119.437 119.437 120.493 -1.056 25568 1559 1 9 . 1 1 6 6 PHE HA H 6 4.077 4.077 4.320 -0.243 25568 1560 1 9 . 1 1 6 6 PHE C C 6 174.609 174.609 175.826 -1.217 25568 1561 1 9 . 1 1 6 6 PHE CA C 6 59.363 59.363 59.490 -0.127 25568 1562 1 9 . 1 1 6 6 PHE CB C 6 38.968 38.968 39.356 -0.388 25568 1563 1 9 . 1 1 6 6 PHE H H 6 8.141 8.141 8.200 -0.059 25568 1564 1 9 . 1 1 7 7 MET N N 7 118.789 118.789 120.416 -1.627 25568 1565 1 9 . 1 1 7 7 MET HA H 7 2.968 2.968 2.829 0.139 25568 1566 1 9 . 1 1 7 7 MET C C 7 174.035 174.035 174.156 -0.121 25568 1567 1 9 . 1 1 7 7 MET CA C 7 58.125 58.125 56.172 1.954 25568 1568 1 9 . 1 1 7 7 MET CB C 7 29.062 29.062 29.883 -0.821 25568 1569 1 9 . 1 1 7 7 MET H H 7 9.152 9.152 8.204 0.948 25568 1570 1 9 . 1 1 8 8 TRP N N 8 122.588 122.588 120.276 2.312 25568 1571 1 9 . 1 1 8 8 TRP HA H 8 4.626 4.626 4.690 -0.064 25568 1572 1 9 . 1 1 8 8 TRP C C 8 174.497 174.497 176.169 -1.672 25568 1573 1 9 . 1 1 8 8 TRP CA C 8 57.397 57.397 54.822 2.575 25568 1574 1 9 . 1 1 8 8 TRP CB C 8 28.697 28.697 30.165 -1.468 25568 1575 1 9 . 1 1 8 8 TRP H H 8 8.796 8.796 7.462 1.334 25568 1576 1 9 . 1 1 9 9 LYS N N 9 121.982 121.982 123.896 -1.914 25568 1577 1 9 . 1 1 9 9 LYS HA H 9 4.639 4.639 4.589 0.050 25568 1578 1 9 . 1 1 9 9 LYS C C 9 173.588 173.588 176.591 -3.003 25568 1579 1 9 . 1 1 9 9 LYS CA C 9 57.251 57.251 58.191 -0.940 25568 1580 1 9 . 1 1 9 9 LYS CB C 9 32.559 32.559 32.803 -0.244 25568 1581 1 9 . 1 1 9 9 LYS H H 9 8.289 8.289 8.673 -0.384 25568 1582 1 9 . 1 1 10 10 CYS N N 10 115.637 115.637 118.917 -3.280 25568 1583 1 9 . 1 1 10 10 CYS HA H 10 5.000 5.000 5.088 -0.088 25568 1584 1 9 . 1 1 10 10 CYS C C 10 170.732 170.732 174.182 -3.450 25568 1585 1 9 . 1 1 10 10 CYS CA C 10 53.609 53.609 56.895 -3.286 25568 1586 1 9 . 1 1 10 10 CYS CB C 10 47.345 47.345 30.100 17.245 25568 1587 1 9 . 1 1 10 10 CYS H H 10 8.131 8.131 8.493 -0.362 25568 1588 1 9 . 1 1 11 11 LYS N N 11 119.567 119.567 121.928 -2.361 25568 1589 1 9 . 1 1 11 11 LYS HA H 11 4.429 4.429 4.332 0.097 25568 1590 1 9 . 1 1 11 11 LYS C C 11 174.737 174.737 175.538 -0.801 25568 1591 1 9 . 1 1 11 11 LYS CA C 11 57.470 57.470 57.813 -0.343 25568 1592 1 9 . 1 1 11 11 LYS CB C 11 34.015 34.015 33.076 0.939 25568 1593 1 9 . 1 1 11 11 LYS H H 11 9.543 9.543 9.078 0.465 25568 1594 1 9 . 1 1 12 12 ASN N N 12 115.051 115.051 113.885 1.166 25568 1595 1 9 . 1 1 12 12 ASN HA H 12 4.723 4.723 4.760 -0.037 25568 1596 1 9 . 1 1 12 12 ASN C C 12 174.896 174.896 174.892 0.004 25568 1597 1 9 . 1 1 12 12 ASN CA C 12 52.079 52.079 52.067 0.012 25568 1598 1 9 . 1 1 12 12 ASN CB C 12 40.935 40.935 39.735 1.200 25568 1599 1 9 . 1 1 12 12 ASN H H 12 8.125 8.125 7.626 0.499 25568 1600 1 9 . 1 1 13 13 SER N N 13 117.741 117.741 113.191 4.550 25568 1601 1 9 . 1 1 13 13 SER HA H 13 4.116 4.116 4.434 -0.318 25568 1602 1 9 . 1 1 13 13 SER C C 13 173.269 173.269 175.189 -1.920 25568 1603 1 9 . 1 1 13 13 SER CA C 13 63.151 63.151 59.550 3.600 25568 1604 1 9 . 1 1 13 13 SER CB C 13 62.968 62.968 63.505 -0.537 25568 1605 1 9 . 1 1 13 13 SER H H 13 9.317 9.317 8.624 0.693 25568 1606 1 9 . 1 1 14 14 ASN N N 14 119.511 119.511 118.839 0.672 25568 1607 1 9 . 1 1 14 14 ASN HA H 14 4.648 4.648 4.610 0.038 25568 1608 1 9 . 1 1 14 14 ASN C C 14 174.242 174.242 176.344 -2.102 25568 1609 1 9 . 1 1 14 14 ASN CA C 14 55.139 55.139 54.962 0.177 25568 1610 1 9 . 1 1 14 14 ASN CB C 14 37.439 37.439 38.072 -0.633 25568 1611 1 9 . 1 1 14 14 ASN H H 14 8.579 8.579 8.254 0.325 25568 1612 1 9 . 1 1 15 15 ASP N N 15 116.823 116.823 119.309 -2.486 25568 1613 1 9 . 1 1 15 15 ASP HA H 15 4.687 4.687 4.640 0.047 25568 1614 1 9 . 1 1 15 15 ASP C C 15 175.614 175.614 176.010 -0.396 25568 1615 1 9 . 1 1 15 15 ASP CA C 15 55.721 55.721 55.142 0.580 25568 1616 1 9 . 1 1 15 15 ASP CB C 15 42.465 42.465 41.477 0.988 25568 1617 1 9 . 1 1 15 15 ASP H H 15 7.797 7.797 8.027 -0.230 25568 1618 1 9 . 1 1 16 16 CYS N N 16 118.609 118.609 117.834 0.775 25568 1619 1 9 . 1 1 16 16 CYS HA H 16 5.083 5.083 4.436 0.647 25568 1620 1 9 . 1 1 16 16 CYS C C 16 172.327 172.327 176.060 -3.733 25568 1621 1 9 . 1 1 16 16 CYS CA C 16 53.682 53.682 60.475 -6.793 25568 1622 1 9 . 1 1 16 16 CYS CB C 16 41.809 41.809 27.463 14.345 25568 1623 1 9 . 1 1 16 16 CYS H H 16 7.816 7.816 7.604 0.212 25568 1624 1 9 . 1 1 17 17 CYS N N 17 120.994 120.994 125.256 -4.262 25568 1625 1 9 . 1 1 17 17 CYS HA H 17 4.511 4.511 4.329 0.182 25568 1626 1 9 . 1 1 17 17 CYS C C 17 170.811 170.811 175.083 -4.272 25568 1627 1 9 . 1 1 17 17 CYS CA C 17 54.483 54.483 60.739 -6.256 25568 1628 1 9 . 1 1 17 17 CYS CB C 17 40.134 40.134 27.323 12.810 25568 1629 1 9 . 1 1 17 17 CYS H H 17 9.560 9.560 8.590 0.970 25568 1630 1 9 . 1 1 18 18 LYS N N 18 118.089 118.089 118.531 -0.442 25568 1631 1 9 . 1 1 18 18 LYS HA H 18 4.052 4.052 4.346 -0.294 25568 1632 1 9 . 1 1 18 18 LYS C C 18 174.322 174.322 175.098 -0.776 25568 1633 1 9 . 1 1 18 18 LYS CA C 18 58.562 58.562 56.187 2.376 25568 1634 1 9 . 1 1 18 18 LYS CB C 18 32.631 32.631 33.697 -1.066 25568 1635 1 9 . 1 1 18 18 LYS H H 18 8.004 8.004 7.529 0.475 25568 1636 1 9 . 1 1 19 19 ASP N N 19 116.375 116.375 120.247 -3.872 25568 1637 1 9 . 1 1 19 19 ASP HA H 19 4.295 4.295 4.290 0.005 25568 1638 1 9 . 1 1 19 19 ASP C C 19 172.790 172.790 174.480 -1.690 25568 1639 1 9 . 1 1 19 19 ASP CA C 19 56.741 56.741 55.205 1.536 25568 1640 1 9 . 1 1 19 19 ASP CB C 19 38.677 38.677 40.841 -2.164 25568 1641 1 9 . 1 1 19 19 ASP H H 19 8.715 8.715 8.632 0.083 25568 1642 1 9 . 1 1 20 20 LEU N N 20 120.437 120.437 117.235 3.202 25568 1643 1 9 . 1 1 20 20 LEU HA H 20 5.229 5.229 4.975 0.254 25568 1644 1 9 . 1 1 20 20 LEU C C 20 173.971 173.971 176.219 -2.248 25568 1645 1 9 . 1 1 20 20 LEU CA C 20 54.920 54.920 52.791 2.128 25568 1646 1 9 . 1 1 20 20 LEU CB C 20 44.577 44.577 45.573 -0.996 25568 1647 1 9 . 1 1 20 20 LEU H H 20 8.286 8.286 7.523 0.763 25568 1648 1 9 . 1 1 21 21 VAL N N 21 112.441 112.441 116.306 -3.865 25568 1649 1 9 . 1 1 21 21 VAL HA H 21 4.579 4.579 4.511 0.068 25568 1650 1 9 . 1 1 21 21 VAL C C 21 172.790 172.790 174.773 -1.983 25568 1651 1 9 . 1 1 21 21 VAL CA C 21 58.999 58.999 60.156 -1.157 25568 1652 1 9 . 1 1 21 21 VAL CB C 21 35.836 35.836 33.962 1.874 25568 1653 1 9 . 1 1 21 21 VAL H H 21 9.324 9.324 8.622 0.702 25568 1654 1 9 . 1 1 22 22 CYS N N 22 121.656 121.656 127.145 -5.489 25568 1655 1 9 . 1 1 22 22 CYS HA H 22 4.806 4.806 4.531 0.275 25568 1656 1 9 . 1 1 22 22 CYS C C 22 173.348 173.348 175.274 -1.926 25568 1657 1 9 . 1 1 22 22 CYS CA C 22 54.629 54.629 59.758 -5.129 25568 1658 1 9 . 1 1 22 22 CYS CB C 22 39.843 39.843 25.269 14.574 25568 1659 1 9 . 1 1 22 22 CYS H H 22 8.806 8.806 8.761 0.045 25568 1660 1 9 . 1 1 23 23 SER N N 23 124.577 124.577 124.478 0.099 25568 1661 1 9 . 1 1 23 23 SER HA H 23 4.397 4.397 4.761 -0.364 25568 1662 1 9 . 1 1 23 23 SER C C 23 175.215 175.215 174.517 0.698 25568 1663 1 9 . 1 1 23 23 SER CA C 23 58.271 58.271 57.785 0.486 25568 1664 1 9 . 1 1 23 23 SER CB C 23 63.442 63.442 64.607 -1.165 25568 1665 1 9 . 1 1 23 23 SER H H 23 8.391 8.391 8.305 0.086 25568 1666 1 9 . 1 1 24 24 SER N N 24 126.697 126.697 121.873 4.824 25568 1667 1 9 . 1 1 24 24 SER HA H 24 4.129 4.129 4.179 -0.050 25568 1668 1 9 . 1 1 24 24 SER C C 24 172.950 172.950 175.540 -2.590 25568 1669 1 9 . 1 1 24 24 SER CA C 24 60.747 60.747 60.418 0.329 25568 1670 1 9 . 1 1 24 24 SER CB C 24 62.430 62.430 63.072 -0.642 25568 1671 1 9 . 1 1 24 24 SER H H 24 9.050 9.050 8.927 0.123 25568 1672 1 9 . 1 1 25 25 ARG N N 25 120.375 120.375 120.495 -0.120 25568 1673 1 9 . 1 1 25 25 ARG HA H 25 3.867 3.867 3.882 -0.015 25568 1674 1 9 . 1 1 25 25 ARG C C 25 175.662 175.662 176.355 -0.693 25568 1675 1 9 . 1 1 25 25 ARG CA C 25 57.542 57.542 57.808 -0.266 25568 1676 1 9 . 1 1 25 25 ARG CB C 25 30.592 30.592 29.746 0.846 25568 1677 1 9 . 1 1 25 25 ARG H H 25 7.499 7.499 8.045 -0.546 25568 1678 1 9 . 1 1 26 26 TRP N N 26 115.667 115.667 115.916 -0.249 25568 1679 1 9 . 1 1 26 26 TRP HA H 26 4.168 4.168 4.143 0.025 25568 1680 1 9 . 1 1 26 26 TRP C C 26 173.077 173.077 174.776 -1.699 25568 1681 1 9 . 1 1 26 26 TRP CA C 26 56.158 56.158 56.188 -0.030 25568 1682 1 9 . 1 1 26 26 TRP CB C 26 28.553 28.553 29.393 -0.840 25568 1683 1 9 . 1 1 26 26 TRP H H 26 7.098 7.098 7.050 0.048 25568 1684 1 9 . 1 1 27 27 LYS N N 27 112.484 112.484 112.588 -0.104 25568 1685 1 9 . 1 1 27 27 LYS HA H 27 3.881 3.881 3.992 -0.111 25568 1686 1 9 . 1 1 27 27 LYS C C 27 173.971 173.971 174.843 -0.872 25568 1687 1 9 . 1 1 27 27 LYS CA C 27 56.287 56.287 56.946 -0.659 25568 1688 1 9 . 1 1 27 27 LYS CB C 27 27.169 27.169 29.849 -2.680 25568 1689 1 9 . 1 1 27 27 LYS H H 27 8.001 8.001 7.693 0.308 25568 1690 1 9 . 1 1 28 28 TRP N N 28 110.998 110.998 113.827 -2.829 25568 1691 1 9 . 1 1 28 28 TRP HA H 28 5.581 5.581 5.014 0.567 25568 1692 1 9 . 1 1 28 28 TRP C C 28 175.710 175.710 174.964 0.746 25568 1693 1 9 . 1 1 28 28 TRP CA C 28 55.284 55.284 55.325 -0.041 25568 1694 1 9 . 1 1 28 28 TRP CB C 28 30.519 30.519 30.063 0.456 25568 1695 1 9 . 1 1 28 28 TRP H H 28 6.947 6.947 7.627 -0.680 25568 1696 1 9 . 1 1 29 29 CYS N N 29 121.176 121.176 121.517 -0.341 25568 1697 1 9 . 1 1 29 29 CYS HA H 29 5.254 5.254 5.066 0.188 25568 1698 1 9 . 1 1 29 29 CYS C C 29 173.157 173.157 175.082 -1.925 25568 1699 1 9 . 1 1 29 29 CYS CA C 29 56.596 56.596 61.048 -4.452 25568 1700 1 9 . 1 1 29 29 CYS CB C 29 41.518 41.518 26.224 15.294 25568 1701 1 9 . 1 1 29 29 CYS H H 29 9.113 9.113 8.757 0.356 25568 1702 1 9 . 1 1 30 30 VAL N N 30 117.187 117.187 120.673 -3.486 25568 1703 1 9 . 1 1 30 30 VAL HA H 30 5.139 5.139 5.008 0.131 25568 1704 1 9 . 1 1 30 30 VAL C C 30 173.269 173.269 174.771 -1.502 25568 1705 1 9 . 1 1 30 30 VAL CA C 30 59.800 59.800 59.977 -0.177 25568 1706 1 9 . 1 1 30 30 VAL CB C 30 35.909 35.909 35.306 0.603 25568 1707 1 9 . 1 1 30 30 VAL H H 30 9.923 9.923 9.074 0.849 25568 1708 1 9 . 1 1 31 31 LEU N N 31 120.354 120.354 124.563 -4.209 25568 1709 1 9 . 1 1 31 31 LEU HA H 31 4.406 4.406 4.223 0.183 25568 1710 1 9 . 1 1 31 31 LEU C C 31 176.285 176.285 177.413 -1.128 25568 1711 1 9 . 1 1 31 31 LEU CA C 31 56.668 56.668 54.783 1.885 25568 1712 1 9 . 1 1 31 31 LEU CB C 31 41.882 41.882 40.114 1.768 25568 1713 1 9 . 1 1 31 31 LEU H H 31 8.331 8.331 8.661 -0.330 25568 1714 1 9 . 1 1 32 32 ALA N N 32 124.391 124.391 129.345 -4.954 25568 1715 1 9 . 1 1 32 32 ALA HA H 32 4.201 4.201 4.199 0.002 25568 1716 1 9 . 1 1 32 32 ALA C C 32 175.758 175.758 177.233 -1.475 25568 1717 1 9 . 1 1 32 32 ALA CA C 32 52.881 52.881 52.418 0.463 25568 1718 1 9 . 1 1 32 32 ALA CB C 32 19.229 19.229 19.353 -0.124 25568 1719 1 9 . 1 1 32 32 ALA H H 32 8.366 8.366 7.950 0.416 25568 1720 1 9 . 1 1 33 33 SER N N 33 115.562 115.562 119.906 -4.344 25568 1721 1 9 . 1 1 33 33 SER HA H 33 4.763 4.763 4.406 0.357 25568 1722 1 9 . 1 1 33 33 SER CA C 33 56.062 56.062 57.723 -1.661 25568 1723 1 9 . 1 1 33 33 SER CB C 33 63.765 63.765 63.691 0.074 25568 1724 1 9 . 1 1 33 33 SER H H 33 8.188 8.188 8.417 -0.229 25568 1725 1 9 . 1 1 34 34 PRO HA H 34 4.387 4.387 4.351 0.036 25568 1726 1 9 . 1 1 34 34 PRO C C 34 173.907 173.907 176.214 -2.307 25568 1727 1 9 . 1 1 34 34 PRO CA C 34 63.667 63.667 64.010 -0.343 25568 1728 1 9 . 1 1 34 34 PRO CB C 34 31.736 31.736 31.829 -0.093 25568 1729 1 10 . 1 1 2 2 GLU N N 2 121.648 121.648 120.775 0.873 25568 1730 1 10 . 1 1 2 2 GLU HA H 2 4.501 4.501 4.566 -0.065 25568 1731 1 10 . 1 1 2 2 GLU C C 2 173.747 173.747 175.673 -1.926 25568 1732 1 10 . 1 1 2 2 GLU CA C 2 56.086 56.086 56.005 0.081 25568 1733 1 10 . 1 1 2 2 GLU CB C 2 30.592 30.592 30.615 -0.023 25568 1734 1 10 . 1 1 2 2 GLU H H 2 8.802 8.802 8.537 0.265 25568 1735 1 10 . 1 1 3 3 CYS N N 3 119.267 119.267 117.559 1.708 25568 1736 1 10 . 1 1 3 3 CYS HA H 3 4.568 4.568 4.801 -0.233 25568 1737 1 10 . 1 1 3 3 CYS C C 3 171.833 171.833 174.778 -2.945 25568 1738 1 10 . 1 1 3 3 CYS CA C 3 54.337 54.337 57.491 -3.154 25568 1739 1 10 . 1 1 3 3 CYS CB C 3 41.809 41.809 29.551 12.258 25568 1740 1 10 . 1 1 3 3 CYS H H 3 8.252 8.252 8.268 -0.016 25568 1741 1 10 . 1 1 4 4 GLY N N 4 107.188 107.188 107.692 -0.504 25568 1742 1 10 . 1 1 4 4 GLY CA C 4 46.766 46.766 45.476 1.290 25568 1743 1 10 . 1 1 4 4 GLY H H 4 8.642 8.642 8.550 0.092 25568 1744 1 10 . 1 1 5 5 LYS N N 5 124.281 124.281 117.073 7.208 25568 1745 1 10 . 1 1 5 5 LYS HA H 5 3.978 3.978 4.082 -0.104 25568 1746 1 10 . 1 1 5 5 LYS C C 5 172.710 172.710 174.250 -1.540 25568 1747 1 10 . 1 1 5 5 LYS CA C 5 54.483 54.483 54.879 -0.396 25568 1748 1 10 . 1 1 5 5 LYS CB C 5 32.688 32.688 33.773 -1.085 25568 1749 1 10 . 1 1 5 5 LYS H H 5 5.250 5.250 7.927 -2.677 25568 1750 1 10 . 1 1 6 6 PHE N N 6 119.437 119.437 120.488 -1.051 25568 1751 1 10 . 1 1 6 6 PHE HA H 6 4.077 4.077 4.326 -0.249 25568 1752 1 10 . 1 1 6 6 PHE C C 6 174.609 174.609 175.822 -1.213 25568 1753 1 10 . 1 1 6 6 PHE CA C 6 59.363 59.363 59.476 -0.113 25568 1754 1 10 . 1 1 6 6 PHE CB C 6 38.968 38.968 39.356 -0.388 25568 1755 1 10 . 1 1 6 6 PHE H H 6 8.141 8.141 8.205 -0.064 25568 1756 1 10 . 1 1 7 7 MET N N 7 118.789 118.789 120.388 -1.599 25568 1757 1 10 . 1 1 7 7 MET HA H 7 2.968 2.968 2.841 0.127 25568 1758 1 10 . 1 1 7 7 MET C C 7 174.035 174.035 174.166 -0.131 25568 1759 1 10 . 1 1 7 7 MET CA C 7 58.125 58.125 56.182 1.943 25568 1760 1 10 . 1 1 7 7 MET CB C 7 29.062 29.062 29.869 -0.807 25568 1761 1 10 . 1 1 7 7 MET H H 7 9.152 9.152 8.241 0.911 25568 1762 1 10 . 1 1 8 8 TRP N N 8 122.588 122.588 120.273 2.315 25568 1763 1 10 . 1 1 8 8 TRP HA H 8 4.626 4.626 4.692 -0.066 25568 1764 1 10 . 1 1 8 8 TRP C C 8 174.497 174.497 176.180 -1.683 25568 1765 1 10 . 1 1 8 8 TRP CA C 8 57.397 57.397 54.831 2.566 25568 1766 1 10 . 1 1 8 8 TRP CB C 8 28.697 28.697 30.172 -1.475 25568 1767 1 10 . 1 1 8 8 TRP H H 8 8.796 8.796 7.466 1.330 25568 1768 1 10 . 1 1 9 9 LYS N N 9 121.982 121.982 123.836 -1.854 25568 1769 1 10 . 1 1 9 9 LYS HA H 9 4.639 4.639 4.594 0.045 25568 1770 1 10 . 1 1 9 9 LYS C C 9 173.588 173.588 176.624 -3.036 25568 1771 1 10 . 1 1 9 9 LYS CA C 9 57.251 57.251 58.194 -0.943 25568 1772 1 10 . 1 1 9 9 LYS CB C 9 32.559 32.559 32.795 -0.236 25568 1773 1 10 . 1 1 9 9 LYS H H 9 8.289 8.289 8.678 -0.389 25568 1774 1 10 . 1 1 10 10 CYS N N 10 115.637 115.637 118.138 -2.501 25568 1775 1 10 . 1 1 10 10 CYS HA H 10 5.000 5.000 4.794 0.206 25568 1776 1 10 . 1 1 10 10 CYS C C 10 170.732 170.732 174.095 -3.363 25568 1777 1 10 . 1 1 10 10 CYS CA C 10 53.609 53.609 57.279 -3.670 25568 1778 1 10 . 1 1 10 10 CYS CB C 10 47.345 47.345 30.738 16.607 25568 1779 1 10 . 1 1 10 10 CYS H H 10 8.131 8.131 8.553 -0.422 25568 1780 1 10 . 1 1 11 11 LYS N N 11 119.567 119.567 120.453 -0.886 25568 1781 1 10 . 1 1 11 11 LYS HA H 11 4.429 4.429 4.414 0.015 25568 1782 1 10 . 1 1 11 11 LYS C C 11 174.737 174.737 176.419 -1.682 25568 1783 1 10 . 1 1 11 11 LYS CA C 11 57.470 57.470 56.654 0.816 25568 1784 1 10 . 1 1 11 11 LYS CB C 11 34.015 34.015 33.025 0.990 25568 1785 1 10 . 1 1 11 11 LYS H H 11 9.543 9.543 8.907 0.636 25568 1786 1 10 . 1 1 12 12 ASN N N 12 115.051 115.051 114.796 0.255 25568 1787 1 10 . 1 1 12 12 ASN HA H 12 4.723 4.723 4.867 -0.144 25568 1788 1 10 . 1 1 12 12 ASN C C 12 174.896 174.896 174.967 -0.071 25568 1789 1 10 . 1 1 12 12 ASN CA C 12 52.079 52.079 52.728 -0.649 25568 1790 1 10 . 1 1 12 12 ASN CB C 12 40.935 40.935 40.887 0.048 25568 1791 1 10 . 1 1 12 12 ASN H H 12 8.125 8.125 7.630 0.494 25568 1792 1 10 . 1 1 13 13 SER N N 13 117.741 117.741 115.823 1.918 25568 1793 1 10 . 1 1 13 13 SER HA H 13 4.116 4.116 4.337 -0.221 25568 1794 1 10 . 1 1 13 13 SER C C 13 173.269 173.269 175.312 -2.043 25568 1795 1 10 . 1 1 13 13 SER CA C 13 63.151 63.151 60.116 3.035 25568 1796 1 10 . 1 1 13 13 SER CB C 13 62.968 62.968 63.297 -0.329 25568 1797 1 10 . 1 1 13 13 SER H H 13 9.317 9.317 8.759 0.558 25568 1798 1 10 . 1 1 14 14 ASN N N 14 119.511 119.511 118.391 1.120 25568 1799 1 10 . 1 1 14 14 ASN HA H 14 4.648 4.648 4.587 0.061 25568 1800 1 10 . 1 1 14 14 ASN C C 14 174.242 174.242 176.140 -1.898 25568 1801 1 10 . 1 1 14 14 ASN CA C 14 55.139 55.139 55.449 -0.310 25568 1802 1 10 . 1 1 14 14 ASN CB C 14 37.439 37.439 37.581 -0.142 25568 1803 1 10 . 1 1 14 14 ASN H H 14 8.579 8.579 8.219 0.360 25568 1804 1 10 . 1 1 15 15 ASP N N 15 116.823 116.823 120.281 -3.458 25568 1805 1 10 . 1 1 15 15 ASP HA H 15 4.687 4.687 4.645 0.042 25568 1806 1 10 . 1 1 15 15 ASP C C 15 175.614 175.614 176.150 -0.536 25568 1807 1 10 . 1 1 15 15 ASP CA C 15 55.721 55.721 55.946 -0.224 25568 1808 1 10 . 1 1 15 15 ASP CB C 15 42.465 42.465 41.618 0.847 25568 1809 1 10 . 1 1 15 15 ASP H H 15 7.797 7.797 7.823 -0.026 25568 1810 1 10 . 1 1 16 16 CYS N N 16 118.609 118.609 117.578 1.031 25568 1811 1 10 . 1 1 16 16 CYS HA H 16 5.083 5.083 4.438 0.645 25568 1812 1 10 . 1 1 16 16 CYS C C 16 172.327 172.327 176.327 -4.000 25568 1813 1 10 . 1 1 16 16 CYS CA C 16 53.682 53.682 60.114 -6.431 25568 1814 1 10 . 1 1 16 16 CYS CB C 16 41.809 41.809 27.310 14.499 25568 1815 1 10 . 1 1 16 16 CYS H H 16 7.816 7.816 7.630 0.186 25568 1816 1 10 . 1 1 17 17 CYS N N 17 120.994 120.994 125.567 -4.573 25568 1817 1 10 . 1 1 17 17 CYS HA H 17 4.511 4.511 4.344 0.167 25568 1818 1 10 . 1 1 17 17 CYS C C 17 170.811 170.811 175.135 -4.324 25568 1819 1 10 . 1 1 17 17 CYS CA C 17 54.483 54.483 60.747 -6.264 25568 1820 1 10 . 1 1 17 17 CYS CB C 17 40.134 40.134 27.197 12.937 25568 1821 1 10 . 1 1 17 17 CYS H H 17 9.560 9.560 8.581 0.979 25568 1822 1 10 . 1 1 18 18 LYS N N 18 118.089 118.089 118.626 -0.537 25568 1823 1 10 . 1 1 18 18 LYS HA H 18 4.052 4.052 4.363 -0.311 25568 1824 1 10 . 1 1 18 18 LYS C C 18 174.322 174.322 175.080 -0.758 25568 1825 1 10 . 1 1 18 18 LYS CA C 18 58.562 58.562 56.215 2.348 25568 1826 1 10 . 1 1 18 18 LYS CB C 18 32.631 32.631 33.742 -1.111 25568 1827 1 10 . 1 1 18 18 LYS H H 18 8.004 8.004 7.543 0.461 25568 1828 1 10 . 1 1 19 19 ASP N N 19 116.375 116.375 121.142 -4.767 25568 1829 1 10 . 1 1 19 19 ASP HA H 19 4.295 4.295 4.400 -0.105 25568 1830 1 10 . 1 1 19 19 ASP C C 19 172.790 172.790 174.329 -1.539 25568 1831 1 10 . 1 1 19 19 ASP CA C 19 56.741 56.741 55.365 1.376 25568 1832 1 10 . 1 1 19 19 ASP CB C 19 38.677 38.677 40.600 -1.923 25568 1833 1 10 . 1 1 19 19 ASP H H 19 8.715 8.715 8.614 0.101 25568 1834 1 10 . 1 1 20 20 LEU N N 20 120.437 120.437 117.277 3.160 25568 1835 1 10 . 1 1 20 20 LEU HA H 20 5.229 5.229 4.977 0.252 25568 1836 1 10 . 1 1 20 20 LEU C C 20 173.971 173.971 176.223 -2.252 25568 1837 1 10 . 1 1 20 20 LEU CA C 20 54.920 54.920 52.913 2.007 25568 1838 1 10 . 1 1 20 20 LEU CB C 20 44.577 44.577 45.618 -1.041 25568 1839 1 10 . 1 1 20 20 LEU H H 20 8.286 8.286 7.534 0.752 25568 1840 1 10 . 1 1 21 21 VAL N N 21 112.441 112.441 116.614 -4.173 25568 1841 1 10 . 1 1 21 21 VAL HA H 21 4.579 4.579 4.529 0.050 25568 1842 1 10 . 1 1 21 21 VAL C C 21 172.790 172.790 174.775 -1.985 25568 1843 1 10 . 1 1 21 21 VAL CA C 21 58.999 58.999 60.181 -1.182 25568 1844 1 10 . 1 1 21 21 VAL CB C 21 35.836 35.836 34.088 1.748 25568 1845 1 10 . 1 1 21 21 VAL H H 21 9.324 9.324 8.652 0.672 25568 1846 1 10 . 1 1 22 22 CYS N N 22 121.656 121.656 126.789 -5.133 25568 1847 1 10 . 1 1 22 22 CYS HA H 22 4.806 4.806 4.515 0.291 25568 1848 1 10 . 1 1 22 22 CYS C C 22 173.348 173.348 175.350 -2.002 25568 1849 1 10 . 1 1 22 22 CYS CA C 22 54.629 54.629 59.928 -5.299 25568 1850 1 10 . 1 1 22 22 CYS CB C 22 39.843 39.843 25.292 14.551 25568 1851 1 10 . 1 1 22 22 CYS H H 22 8.806 8.806 8.792 0.014 25568 1852 1 10 . 1 1 23 23 SER N N 23 124.577 124.577 124.260 0.317 25568 1853 1 10 . 1 1 23 23 SER HA H 23 4.397 4.397 4.761 -0.364 25568 1854 1 10 . 1 1 23 23 SER C C 23 175.215 175.215 173.988 1.227 25568 1855 1 10 . 1 1 23 23 SER CA C 23 58.271 58.271 57.413 0.858 25568 1856 1 10 . 1 1 23 23 SER CB C 23 63.442 63.442 65.149 -1.707 25568 1857 1 10 . 1 1 23 23 SER H H 23 8.391 8.391 8.265 0.126 25568 1858 1 10 . 1 1 24 24 SER N N 24 126.697 126.697 122.238 4.459 25568 1859 1 10 . 1 1 24 24 SER HA H 24 4.129 4.129 4.164 -0.035 25568 1860 1 10 . 1 1 24 24 SER C C 24 172.950 172.950 175.425 -2.475 25568 1861 1 10 . 1 1 24 24 SER CA C 24 60.747 60.747 60.284 0.463 25568 1862 1 10 . 1 1 24 24 SER CB C 24 62.430 62.430 63.203 -0.773 25568 1863 1 10 . 1 1 24 24 SER H H 24 9.050 9.050 8.937 0.113 25568 1864 1 10 . 1 1 25 25 ARG N N 25 120.375 120.375 120.572 -0.197 25568 1865 1 10 . 1 1 25 25 ARG HA H 25 3.867 3.867 3.887 -0.020 25568 1866 1 10 . 1 1 25 25 ARG C C 25 175.662 175.662 176.411 -0.749 25568 1867 1 10 . 1 1 25 25 ARG CA C 25 57.542 57.542 57.690 -0.148 25568 1868 1 10 . 1 1 25 25 ARG CB C 25 30.592 30.592 29.843 0.749 25568 1869 1 10 . 1 1 25 25 ARG H H 25 7.499 7.499 8.081 -0.582 25568 1870 1 10 . 1 1 26 26 TRP N N 26 115.667 115.667 116.859 -1.192 25568 1871 1 10 . 1 1 26 26 TRP HA H 26 4.168 4.168 4.200 -0.032 25568 1872 1 10 . 1 1 26 26 TRP C C 26 173.077 173.077 175.159 -2.082 25568 1873 1 10 . 1 1 26 26 TRP CA C 26 56.158 56.158 56.010 0.148 25568 1874 1 10 . 1 1 26 26 TRP CB C 26 28.553 28.553 29.190 -0.637 25568 1875 1 10 . 1 1 26 26 TRP H H 26 7.098 7.098 7.153 -0.055 25568 1876 1 10 . 1 1 27 27 LYS N N 27 112.484 112.484 112.972 -0.488 25568 1877 1 10 . 1 1 27 27 LYS HA H 27 3.881 3.881 3.939 -0.058 25568 1878 1 10 . 1 1 27 27 LYS C C 27 173.971 173.971 174.837 -0.866 25568 1879 1 10 . 1 1 27 27 LYS CA C 27 56.287 56.287 57.418 -1.131 25568 1880 1 10 . 1 1 27 27 LYS CB C 27 27.169 27.169 29.380 -2.211 25568 1881 1 10 . 1 1 27 27 LYS H H 27 8.001 8.001 7.900 0.101 25568 1882 1 10 . 1 1 28 28 TRP N N 28 110.998 110.998 113.838 -2.840 25568 1883 1 10 . 1 1 28 28 TRP HA H 28 5.581 5.581 5.018 0.563 25568 1884 1 10 . 1 1 28 28 TRP C C 28 175.710 175.710 174.981 0.729 25568 1885 1 10 . 1 1 28 28 TRP CA C 28 55.284 55.284 55.318 -0.034 25568 1886 1 10 . 1 1 28 28 TRP CB C 28 30.519 30.519 30.061 0.458 25568 1887 1 10 . 1 1 28 28 TRP H H 28 6.947 6.947 7.627 -0.680 25568 1888 1 10 . 1 1 29 29 CYS N N 29 121.176 121.176 122.040 -0.864 25568 1889 1 10 . 1 1 29 29 CYS HA H 29 5.254 5.254 5.064 0.190 25568 1890 1 10 . 1 1 29 29 CYS C C 29 173.157 173.157 174.930 -1.773 25568 1891 1 10 . 1 1 29 29 CYS CA C 29 56.596 56.596 60.877 -4.282 25568 1892 1 10 . 1 1 29 29 CYS CB C 29 41.518 41.518 26.465 15.053 25568 1893 1 10 . 1 1 29 29 CYS H H 29 9.113 9.113 8.800 0.313 25568 1894 1 10 . 1 1 30 30 VAL N N 30 117.187 117.187 121.068 -3.881 25568 1895 1 10 . 1 1 30 30 VAL HA H 30 5.139 5.139 5.055 0.084 25568 1896 1 10 . 1 1 30 30 VAL C C 30 173.269 173.269 174.819 -1.550 25568 1897 1 10 . 1 1 30 30 VAL CA C 30 59.800 59.800 59.379 0.421 25568 1898 1 10 . 1 1 30 30 VAL CB C 30 35.909 35.909 35.031 0.878 25568 1899 1 10 . 1 1 30 30 VAL H H 30 9.923 9.923 9.132 0.791 25568 1900 1 10 . 1 1 31 31 LEU N N 31 120.354 120.354 124.404 -4.050 25568 1901 1 10 . 1 1 31 31 LEU HA H 31 4.406 4.406 4.180 0.226 25568 1902 1 10 . 1 1 31 31 LEU C C 31 176.285 176.285 177.745 -1.460 25568 1903 1 10 . 1 1 31 31 LEU CA C 31 56.668 56.668 55.084 1.584 25568 1904 1 10 . 1 1 31 31 LEU CB C 31 41.882 41.882 39.934 1.948 25568 1905 1 10 . 1 1 31 31 LEU H H 31 8.331 8.331 8.598 -0.267 25568 1906 1 10 . 1 1 32 32 ALA N N 32 124.391 124.391 130.281 -5.890 25568 1907 1 10 . 1 1 32 32 ALA HA H 32 4.201 4.201 4.291 -0.090 25568 1908 1 10 . 1 1 32 32 ALA C C 32 175.758 175.758 177.211 -1.453 25568 1909 1 10 . 1 1 32 32 ALA CA C 32 52.881 52.881 52.514 0.367 25568 1910 1 10 . 1 1 32 32 ALA CB C 32 19.229 19.229 19.312 -0.083 25568 1911 1 10 . 1 1 32 32 ALA H H 32 8.366 8.366 8.303 0.063 25568 1912 1 10 . 1 1 33 33 SER N N 33 115.562 115.562 118.971 -3.409 25568 1913 1 10 . 1 1 33 33 SER HA H 33 4.763 4.763 4.643 0.120 25568 1914 1 10 . 1 1 33 33 SER CA C 33 56.062 56.062 56.079 -0.017 25568 1915 1 10 . 1 1 33 33 SER CB C 33 63.765 63.765 63.838 -0.073 25568 1916 1 10 . 1 1 33 33 SER H H 33 8.188 8.188 8.438 -0.250 25568 1917 1 10 . 1 1 34 34 PRO HA H 34 4.387 4.387 4.439 -0.052 25568 1918 1 10 . 1 1 34 34 PRO C C 34 173.907 173.907 176.815 -2.908 25568 1919 1 10 . 1 1 34 34 PRO CA C 34 63.667 63.667 64.128 -0.461 25568 1920 1 10 . 1 1 34 34 PRO CB C 34 31.736 31.736 32.026 -0.290 25568 1921 1 11 . 1 1 2 2 GLU N N 2 121.648 121.648 120.041 1.607 25568 1922 1 11 . 1 1 2 2 GLU HA H 2 4.501 4.501 4.289 0.212 25568 1923 1 11 . 1 1 2 2 GLU C C 2 173.747 173.747 175.803 -2.056 25568 1924 1 11 . 1 1 2 2 GLU CA C 2 56.086 56.086 56.879 -0.793 25568 1925 1 11 . 1 1 2 2 GLU CB C 2 30.592 30.592 30.245 0.347 25568 1926 1 11 . 1 1 2 2 GLU H H 2 8.802 8.802 8.420 0.382 25568 1927 1 11 . 1 1 3 3 CYS N N 3 119.267 119.267 117.276 1.991 25568 1928 1 11 . 1 1 3 3 CYS HA H 3 4.568 4.568 4.783 -0.215 25568 1929 1 11 . 1 1 3 3 CYS C C 3 171.833 171.833 174.793 -2.960 25568 1930 1 11 . 1 1 3 3 CYS CA C 3 54.337 54.337 57.235 -2.898 25568 1931 1 11 . 1 1 3 3 CYS CB C 3 41.809 41.809 30.178 11.631 25568 1932 1 11 . 1 1 3 3 CYS H H 3 8.252 8.252 8.258 -0.006 25568 1933 1 11 . 1 1 4 4 GLY N N 4 107.188 107.188 107.663 -0.475 25568 1934 1 11 . 1 1 4 4 GLY CA C 4 46.766 46.766 45.461 1.305 25568 1935 1 11 . 1 1 4 4 GLY H H 4 8.642 8.642 8.530 0.112 25568 1936 1 11 . 1 1 5 5 LYS N N 5 124.281 124.281 117.061 7.220 25568 1937 1 11 . 1 1 5 5 LYS HA H 5 3.978 3.978 4.080 -0.102 25568 1938 1 11 . 1 1 5 5 LYS C C 5 172.710 172.710 174.242 -1.532 25568 1939 1 11 . 1 1 5 5 LYS CA C 5 54.483 54.483 54.882 -0.399 25568 1940 1 11 . 1 1 5 5 LYS CB C 5 32.688 32.688 33.780 -1.092 25568 1941 1 11 . 1 1 5 5 LYS H H 5 5.250 5.250 7.924 -2.674 25568 1942 1 11 . 1 1 6 6 PHE N N 6 119.437 119.437 120.531 -1.094 25568 1943 1 11 . 1 1 6 6 PHE HA H 6 4.077 4.077 4.320 -0.243 25568 1944 1 11 . 1 1 6 6 PHE C C 6 174.609 174.609 175.840 -1.231 25568 1945 1 11 . 1 1 6 6 PHE CA C 6 59.363 59.363 59.505 -0.142 25568 1946 1 11 . 1 1 6 6 PHE CB C 6 38.968 38.968 39.356 -0.389 25568 1947 1 11 . 1 1 6 6 PHE H H 6 8.141 8.141 8.196 -0.055 25568 1948 1 11 . 1 1 7 7 MET N N 7 118.789 118.789 120.694 -1.905 25568 1949 1 11 . 1 1 7 7 MET HA H 7 2.968 2.968 2.817 0.151 25568 1950 1 11 . 1 1 7 7 MET C C 7 174.035 174.035 174.077 -0.042 25568 1951 1 11 . 1 1 7 7 MET CA C 7 58.125 58.125 56.155 1.970 25568 1952 1 11 . 1 1 7 7 MET CB C 7 29.062 29.062 30.008 -0.946 25568 1953 1 11 . 1 1 7 7 MET H H 7 9.152 9.152 8.240 0.912 25568 1954 1 11 . 1 1 8 8 TRP N N 8 122.588 122.588 120.322 2.266 25568 1955 1 11 . 1 1 8 8 TRP HA H 8 4.626 4.626 4.680 -0.054 25568 1956 1 11 . 1 1 8 8 TRP C C 8 174.497 174.497 176.091 -1.594 25568 1957 1 11 . 1 1 8 8 TRP CA C 8 57.397 57.397 54.774 2.623 25568 1958 1 11 . 1 1 8 8 TRP CB C 8 28.697 28.697 30.156 -1.459 25568 1959 1 11 . 1 1 8 8 TRP H H 8 8.796 8.796 7.460 1.336 25568 1960 1 11 . 1 1 9 9 LYS N N 9 121.982 121.982 124.076 -2.094 25568 1961 1 11 . 1 1 9 9 LYS HA H 9 4.639 4.639 4.581 0.058 25568 1962 1 11 . 1 1 9 9 LYS C C 9 173.588 173.588 176.631 -3.043 25568 1963 1 11 . 1 1 9 9 LYS CA C 9 57.251 57.251 58.186 -0.935 25568 1964 1 11 . 1 1 9 9 LYS CB C 9 32.559 32.559 32.692 -0.133 25568 1965 1 11 . 1 1 9 9 LYS H H 9 8.289 8.289 8.665 -0.376 25568 1966 1 11 . 1 1 10 10 CYS N N 10 115.637 115.637 119.075 -3.438 25568 1967 1 11 . 1 1 10 10 CYS HA H 10 5.000 5.000 5.087 -0.087 25568 1968 1 11 . 1 1 10 10 CYS C C 10 170.732 170.732 174.362 -3.630 25568 1969 1 11 . 1 1 10 10 CYS CA C 10 53.609 53.609 56.863 -3.254 25568 1970 1 11 . 1 1 10 10 CYS CB C 10 47.345 47.345 30.367 16.977 25568 1971 1 11 . 1 1 10 10 CYS H H 10 8.131 8.131 8.449 -0.318 25568 1972 1 11 . 1 1 11 11 LYS N N 11 119.567 119.567 121.675 -2.108 25568 1973 1 11 . 1 1 11 11 LYS HA H 11 4.429 4.429 4.320 0.109 25568 1974 1 11 . 1 1 11 11 LYS C C 11 174.737 174.737 175.635 -0.898 25568 1975 1 11 . 1 1 11 11 LYS CA C 11 57.470 57.470 57.697 -0.227 25568 1976 1 11 . 1 1 11 11 LYS CB C 11 34.015 34.015 32.895 1.121 25568 1977 1 11 . 1 1 11 11 LYS H H 11 9.543 9.543 9.054 0.489 25568 1978 1 11 . 1 1 12 12 ASN N N 12 115.051 115.051 113.917 1.134 25568 1979 1 11 . 1 1 12 12 ASN HA H 12 4.723 4.723 4.758 -0.035 25568 1980 1 11 . 1 1 12 12 ASN C C 12 174.896 174.896 175.434 -0.538 25568 1981 1 11 . 1 1 12 12 ASN CA C 12 52.079 52.079 52.256 -0.177 25568 1982 1 11 . 1 1 12 12 ASN CB C 12 40.935 40.935 39.436 1.499 25568 1983 1 11 . 1 1 12 12 ASN H H 12 8.125 8.125 7.489 0.636 25568 1984 1 11 . 1 1 13 13 SER N N 13 117.741 117.741 113.225 4.516 25568 1985 1 11 . 1 1 13 13 SER HA H 13 4.116 4.116 4.403 -0.287 25568 1986 1 11 . 1 1 13 13 SER C C 13 173.269 173.269 175.113 -1.844 25568 1987 1 11 . 1 1 13 13 SER CA C 13 63.151 63.151 59.341 3.810 25568 1988 1 11 . 1 1 13 13 SER CB C 13 62.968 62.968 63.558 -0.590 25568 1989 1 11 . 1 1 13 13 SER H H 13 9.317 9.317 8.603 0.714 25568 1990 1 11 . 1 1 14 14 ASN N N 14 119.511 119.511 119.062 0.449 25568 1991 1 11 . 1 1 14 14 ASN HA H 14 4.648 4.648 4.611 0.037 25568 1992 1 11 . 1 1 14 14 ASN C C 14 174.242 174.242 176.275 -2.033 25568 1993 1 11 . 1 1 14 14 ASN CA C 14 55.139 55.139 54.898 0.242 25568 1994 1 11 . 1 1 14 14 ASN CB C 14 37.439 37.439 37.994 -0.555 25568 1995 1 11 . 1 1 14 14 ASN H H 14 8.579 8.579 8.318 0.261 25568 1996 1 11 . 1 1 15 15 ASP N N 15 116.823 116.823 119.228 -2.405 25568 1997 1 11 . 1 1 15 15 ASP HA H 15 4.687 4.687 4.641 0.046 25568 1998 1 11 . 1 1 15 15 ASP C C 15 175.614 175.614 176.035 -0.421 25568 1999 1 11 . 1 1 15 15 ASP CA C 15 55.721 55.721 55.179 0.542 25568 2000 1 11 . 1 1 15 15 ASP CB C 15 42.465 42.465 41.570 0.895 25568 2001 1 11 . 1 1 15 15 ASP H H 15 7.797 7.797 7.966 -0.169 25568 2002 1 11 . 1 1 16 16 CYS N N 16 118.609 118.609 117.769 0.840 25568 2003 1 11 . 1 1 16 16 CYS HA H 16 5.083 5.083 4.439 0.644 25568 2004 1 11 . 1 1 16 16 CYS C C 16 172.327 172.327 176.335 -4.008 25568 2005 1 11 . 1 1 16 16 CYS CA C 16 53.682 53.682 60.330 -6.648 25568 2006 1 11 . 1 1 16 16 CYS CB C 16 41.809 41.809 27.268 14.541 25568 2007 1 11 . 1 1 16 16 CYS H H 16 7.816 7.816 7.622 0.194 25568 2008 1 11 . 1 1 17 17 CYS N N 17 120.994 120.994 125.700 -4.706 25568 2009 1 11 . 1 1 17 17 CYS HA H 17 4.511 4.511 4.336 0.175 25568 2010 1 11 . 1 1 17 17 CYS C C 17 170.811 170.811 175.154 -4.343 25568 2011 1 11 . 1 1 17 17 CYS CA C 17 54.483 54.483 60.783 -6.300 25568 2012 1 11 . 1 1 17 17 CYS CB C 17 40.134 40.134 27.198 12.936 25568 2013 1 11 . 1 1 17 17 CYS H H 17 9.560 9.560 8.595 0.965 25568 2014 1 11 . 1 1 18 18 LYS N N 18 118.089 118.089 118.590 -0.501 25568 2015 1 11 . 1 1 18 18 LYS HA H 18 4.052 4.052 4.361 -0.309 25568 2016 1 11 . 1 1 18 18 LYS C C 18 174.322 174.322 175.085 -0.763 25568 2017 1 11 . 1 1 18 18 LYS CA C 18 58.562 58.562 56.231 2.331 25568 2018 1 11 . 1 1 18 18 LYS CB C 18 32.631 32.631 33.733 -1.102 25568 2019 1 11 . 1 1 18 18 LYS H H 18 8.004 8.004 7.537 0.467 25568 2020 1 11 . 1 1 19 19 ASP N N 19 116.375 116.375 121.180 -4.805 25568 2021 1 11 . 1 1 19 19 ASP HA H 19 4.295 4.295 4.401 -0.106 25568 2022 1 11 . 1 1 19 19 ASP C C 19 172.790 172.790 174.318 -1.528 25568 2023 1 11 . 1 1 19 19 ASP CA C 19 56.741 56.741 55.364 1.377 25568 2024 1 11 . 1 1 19 19 ASP CB C 19 38.677 38.677 40.607 -1.930 25568 2025 1 11 . 1 1 19 19 ASP H H 19 8.715 8.715 8.613 0.102 25568 2026 1 11 . 1 1 20 20 LEU N N 20 120.437 120.437 116.972 3.465 25568 2027 1 11 . 1 1 20 20 LEU HA H 20 5.229 5.229 4.978 0.251 25568 2028 1 11 . 1 1 20 20 LEU C C 20 173.971 173.971 176.292 -2.321 25568 2029 1 11 . 1 1 20 20 LEU CA C 20 54.920 54.920 52.893 2.027 25568 2030 1 11 . 1 1 20 20 LEU CB C 20 44.577 44.577 45.519 -0.942 25568 2031 1 11 . 1 1 20 20 LEU H H 20 8.286 8.286 7.482 0.804 25568 2032 1 11 . 1 1 21 21 VAL N N 21 112.441 112.441 115.421 -2.980 25568 2033 1 11 . 1 1 21 21 VAL HA H 21 4.579 4.579 4.549 0.030 25568 2034 1 11 . 1 1 21 21 VAL C C 21 172.790 172.790 174.825 -2.035 25568 2035 1 11 . 1 1 21 21 VAL CA C 21 58.999 58.999 60.335 -1.336 25568 2036 1 11 . 1 1 21 21 VAL CB C 21 35.836 35.836 34.528 1.308 25568 2037 1 11 . 1 1 21 21 VAL H H 21 9.324 9.324 8.576 0.748 25568 2038 1 11 . 1 1 22 22 CYS N N 22 121.656 121.656 127.289 -5.633 25568 2039 1 11 . 1 1 22 22 CYS HA H 22 4.806 4.806 4.521 0.285 25568 2040 1 11 . 1 1 22 22 CYS C C 22 173.348 173.348 175.233 -1.885 25568 2041 1 11 . 1 1 22 22 CYS CA C 22 54.629 54.629 59.750 -5.121 25568 2042 1 11 . 1 1 22 22 CYS CB C 22 39.843 39.843 25.199 14.644 25568 2043 1 11 . 1 1 22 22 CYS H H 22 8.806 8.806 8.846 -0.040 25568 2044 1 11 . 1 1 23 23 SER N N 23 124.577 124.577 124.657 -0.080 25568 2045 1 11 . 1 1 23 23 SER HA H 23 4.397 4.397 4.780 -0.383 25568 2046 1 11 . 1 1 23 23 SER C C 23 175.215 175.215 174.754 0.461 25568 2047 1 11 . 1 1 23 23 SER CA C 23 58.271 58.271 57.758 0.513 25568 2048 1 11 . 1 1 23 23 SER CB C 23 63.442 63.442 64.586 -1.144 25568 2049 1 11 . 1 1 23 23 SER H H 23 8.391 8.391 8.313 0.078 25568 2050 1 11 . 1 1 24 24 SER N N 24 126.697 126.697 122.070 4.627 25568 2051 1 11 . 1 1 24 24 SER HA H 24 4.129 4.129 4.094 0.035 25568 2052 1 11 . 1 1 24 24 SER C C 24 172.950 172.950 174.811 -1.861 25568 2053 1 11 . 1 1 24 24 SER CA C 24 60.747 60.747 60.699 0.049 25568 2054 1 11 . 1 1 24 24 SER CB C 24 62.430 62.430 63.316 -0.886 25568 2055 1 11 . 1 1 24 24 SER H H 24 9.050 9.050 8.795 0.255 25568 2056 1 11 . 1 1 25 25 ARG N N 25 120.375 120.375 119.532 0.843 25568 2057 1 11 . 1 1 25 25 ARG HA H 25 3.867 3.867 3.880 -0.013 25568 2058 1 11 . 1 1 25 25 ARG C C 25 175.662 175.662 176.566 -0.904 25568 2059 1 11 . 1 1 25 25 ARG CA C 25 57.542 57.542 57.669 -0.126 25568 2060 1 11 . 1 1 25 25 ARG CB C 25 30.592 30.592 29.661 0.931 25568 2061 1 11 . 1 1 25 25 ARG H H 25 7.499 7.499 8.073 -0.574 25568 2062 1 11 . 1 1 26 26 TRP N N 26 115.667 115.667 117.604 -1.937 25568 2063 1 11 . 1 1 26 26 TRP HA H 26 4.168 4.168 4.211 -0.043 25568 2064 1 11 . 1 1 26 26 TRP C C 26 173.077 173.077 175.101 -2.024 25568 2065 1 11 . 1 1 26 26 TRP CA C 26 56.158 56.158 56.164 -0.006 25568 2066 1 11 . 1 1 26 26 TRP CB C 26 28.553 28.553 29.315 -0.762 25568 2067 1 11 . 1 1 26 26 TRP H H 26 7.098 7.098 7.173 -0.075 25568 2068 1 11 . 1 1 27 27 LYS N N 27 112.484 112.484 113.019 -0.535 25568 2069 1 11 . 1 1 27 27 LYS HA H 27 3.881 3.881 3.930 -0.049 25568 2070 1 11 . 1 1 27 27 LYS C C 27 173.971 173.971 174.819 -0.848 25568 2071 1 11 . 1 1 27 27 LYS CA C 27 56.287 56.287 57.444 -1.157 25568 2072 1 11 . 1 1 27 27 LYS CB C 27 27.169 27.169 29.418 -2.249 25568 2073 1 11 . 1 1 27 27 LYS H H 27 8.001 8.001 7.902 0.099 25568 2074 1 11 . 1 1 28 28 TRP N N 28 110.998 110.998 113.856 -2.858 25568 2075 1 11 . 1 1 28 28 TRP HA H 28 5.581 5.581 5.012 0.569 25568 2076 1 11 . 1 1 28 28 TRP C C 28 175.710 175.710 174.960 0.750 25568 2077 1 11 . 1 1 28 28 TRP CA C 28 55.284 55.284 55.303 -0.019 25568 2078 1 11 . 1 1 28 28 TRP CB C 28 30.519 30.519 30.068 0.451 25568 2079 1 11 . 1 1 28 28 TRP H H 28 6.947 6.947 7.632 -0.685 25568 2080 1 11 . 1 1 29 29 CYS N N 29 121.176 121.176 121.657 -0.481 25568 2081 1 11 . 1 1 29 29 CYS HA H 29 5.254 5.254 5.035 0.219 25568 2082 1 11 . 1 1 29 29 CYS C C 29 173.157 173.157 175.159 -2.002 25568 2083 1 11 . 1 1 29 29 CYS CA C 29 56.596 56.596 60.544 -3.948 25568 2084 1 11 . 1 1 29 29 CYS CB C 29 41.518 41.518 26.444 15.074 25568 2085 1 11 . 1 1 29 29 CYS H H 29 9.113 9.113 8.727 0.386 25568 2086 1 11 . 1 1 30 30 VAL N N 30 117.187 117.187 119.253 -2.066 25568 2087 1 11 . 1 1 30 30 VAL HA H 30 5.139 5.139 5.096 0.043 25568 2088 1 11 . 1 1 30 30 VAL C C 30 173.269 173.269 174.893 -1.624 25568 2089 1 11 . 1 1 30 30 VAL CA C 30 59.800 59.800 59.824 -0.024 25568 2090 1 11 . 1 1 30 30 VAL CB C 30 35.909 35.909 35.399 0.510 25568 2091 1 11 . 1 1 30 30 VAL H H 30 9.923 9.923 9.098 0.825 25568 2092 1 11 . 1 1 31 31 LEU N N 31 120.354 120.354 123.934 -3.580 25568 2093 1 11 . 1 1 31 31 LEU HA H 31 4.406 4.406 4.225 0.181 25568 2094 1 11 . 1 1 31 31 LEU C C 31 176.285 176.285 177.587 -1.302 25568 2095 1 11 . 1 1 31 31 LEU CA C 31 56.668 56.668 54.865 1.803 25568 2096 1 11 . 1 1 31 31 LEU CB C 31 41.882 41.882 39.708 2.174 25568 2097 1 11 . 1 1 31 31 LEU H H 31 8.331 8.331 8.674 -0.343 25568 2098 1 11 . 1 1 32 32 ALA N N 32 124.391 124.391 129.610 -5.219 25568 2099 1 11 . 1 1 32 32 ALA HA H 32 4.201 4.201 4.204 -0.003 25568 2100 1 11 . 1 1 32 32 ALA C C 32 175.758 175.758 177.401 -1.643 25568 2101 1 11 . 1 1 32 32 ALA CA C 32 52.881 52.881 52.408 0.473 25568 2102 1 11 . 1 1 32 32 ALA CB C 32 19.229 19.229 19.368 -0.139 25568 2103 1 11 . 1 1 32 32 ALA H H 32 8.366 8.366 8.105 0.261 25568 2104 1 11 . 1 1 33 33 SER N N 33 115.562 115.562 116.941 -1.379 25568 2105 1 11 . 1 1 33 33 SER HA H 33 4.763 4.763 4.599 0.164 25568 2106 1 11 . 1 1 33 33 SER CA C 33 56.062 56.062 56.099 -0.037 25568 2107 1 11 . 1 1 33 33 SER CB C 33 63.765 63.765 63.884 -0.119 25568 2108 1 11 . 1 1 33 33 SER H H 33 8.188 8.188 8.394 -0.206 25568 2109 1 11 . 1 1 34 34 PRO HA H 34 4.387 4.387 4.513 -0.126 25568 2110 1 11 . 1 1 34 34 PRO C C 34 173.907 173.907 176.534 -2.627 25568 2111 1 11 . 1 1 34 34 PRO CA C 34 63.667 63.667 64.549 -0.882 25568 2112 1 11 . 1 1 34 34 PRO CB C 34 31.736 31.736 32.119 -0.383 25568 2113 1 12 . 1 1 2 2 GLU N N 2 121.648 121.648 121.909 -0.261 25568 2114 1 12 . 1 1 2 2 GLU HA H 2 4.501 4.501 4.396 0.105 25568 2115 1 12 . 1 1 2 2 GLU C C 2 173.747 173.747 176.272 -2.525 25568 2116 1 12 . 1 1 2 2 GLU CA C 2 56.086 56.086 56.767 -0.681 25568 2117 1 12 . 1 1 2 2 GLU CB C 2 30.592 30.592 30.188 0.404 25568 2118 1 12 . 1 1 2 2 GLU H H 2 8.802 8.802 8.554 0.248 25568 2119 1 12 . 1 1 3 3 CYS N N 3 119.267 119.267 116.128 3.139 25568 2120 1 12 . 1 1 3 3 CYS HA H 3 4.568 4.568 4.734 -0.166 25568 2121 1 12 . 1 1 3 3 CYS C C 3 171.833 171.833 174.685 -2.852 25568 2122 1 12 . 1 1 3 3 CYS CA C 3 54.337 54.337 57.021 -2.684 25568 2123 1 12 . 1 1 3 3 CYS CB C 3 41.809 41.809 30.020 11.789 25568 2124 1 12 . 1 1 3 3 CYS H H 3 8.252 8.252 8.144 0.108 25568 2125 1 12 . 1 1 4 4 GLY N N 4 107.188 107.188 107.614 -0.426 25568 2126 1 12 . 1 1 4 4 GLY CA C 4 46.766 46.766 45.489 1.276 25568 2127 1 12 . 1 1 4 4 GLY H H 4 8.642 8.642 8.480 0.162 25568 2128 1 12 . 1 1 5 5 LYS N N 5 124.281 124.281 116.802 7.479 25568 2129 1 12 . 1 1 5 5 LYS HA H 5 3.978 3.978 4.086 -0.108 25568 2130 1 12 . 1 1 5 5 LYS C C 5 172.710 172.710 174.246 -1.536 25568 2131 1 12 . 1 1 5 5 LYS CA C 5 54.483 54.483 54.841 -0.358 25568 2132 1 12 . 1 1 5 5 LYS CB C 5 32.688 32.688 34.025 -1.337 25568 2133 1 12 . 1 1 5 5 LYS H H 5 5.250 5.250 7.976 -2.726 25568 2134 1 12 . 1 1 6 6 PHE N N 6 119.437 119.437 120.490 -1.053 25568 2135 1 12 . 1 1 6 6 PHE HA H 6 4.077 4.077 4.319 -0.242 25568 2136 1 12 . 1 1 6 6 PHE C C 6 174.609 174.609 175.825 -1.216 25568 2137 1 12 . 1 1 6 6 PHE CA C 6 59.363 59.363 59.456 -0.093 25568 2138 1 12 . 1 1 6 6 PHE CB C 6 38.968 38.968 39.348 -0.380 25568 2139 1 12 . 1 1 6 6 PHE H H 6 8.141 8.141 8.197 -0.056 25568 2140 1 12 . 1 1 7 7 MET N N 7 118.789 118.789 120.471 -1.682 25568 2141 1 12 . 1 1 7 7 MET HA H 7 2.968 2.968 2.832 0.136 25568 2142 1 12 . 1 1 7 7 MET C C 7 174.035 174.035 174.146 -0.111 25568 2143 1 12 . 1 1 7 7 MET CA C 7 58.125 58.125 56.169 1.956 25568 2144 1 12 . 1 1 7 7 MET CB C 7 29.062 29.062 29.896 -0.834 25568 2145 1 12 . 1 1 7 7 MET H H 7 9.152 9.152 8.226 0.926 25568 2146 1 12 . 1 1 8 8 TRP N N 8 122.588 122.588 120.269 2.319 25568 2147 1 12 . 1 1 8 8 TRP HA H 8 4.626 4.626 4.689 -0.063 25568 2148 1 12 . 1 1 8 8 TRP C C 8 174.497 174.497 176.158 -1.661 25568 2149 1 12 . 1 1 8 8 TRP CA C 8 57.397 57.397 54.809 2.588 25568 2150 1 12 . 1 1 8 8 TRP CB C 8 28.697 28.697 30.171 -1.474 25568 2151 1 12 . 1 1 8 8 TRP H H 8 8.796 8.796 7.461 1.335 25568 2152 1 12 . 1 1 9 9 LYS N N 9 121.982 121.982 123.864 -1.882 25568 2153 1 12 . 1 1 9 9 LYS HA H 9 4.639 4.639 4.585 0.054 25568 2154 1 12 . 1 1 9 9 LYS C C 9 173.588 173.588 176.585 -2.997 25568 2155 1 12 . 1 1 9 9 LYS CA C 9 57.251 57.251 58.193 -0.942 25568 2156 1 12 . 1 1 9 9 LYS CB C 9 32.559 32.559 32.803 -0.244 25568 2157 1 12 . 1 1 9 9 LYS H H 9 8.289 8.289 8.671 -0.382 25568 2158 1 12 . 1 1 10 10 CYS N N 10 115.637 115.637 118.757 -3.120 25568 2159 1 12 . 1 1 10 10 CYS HA H 10 5.000 5.000 4.826 0.174 25568 2160 1 12 . 1 1 10 10 CYS C C 10 170.732 170.732 173.397 -2.665 25568 2161 1 12 . 1 1 10 10 CYS CA C 10 53.609 53.609 57.647 -4.038 25568 2162 1 12 . 1 1 10 10 CYS CB C 10 47.345 47.345 30.108 17.237 25568 2163 1 12 . 1 1 10 10 CYS H H 10 8.131 8.131 8.473 -0.342 25568 2164 1 12 . 1 1 11 11 LYS N N 11 119.567 119.567 121.081 -1.514 25568 2165 1 12 . 1 1 11 11 LYS HA H 11 4.429 4.429 4.366 0.063 25568 2166 1 12 . 1 1 11 11 LYS C C 11 174.737 174.737 175.840 -1.103 25568 2167 1 12 . 1 1 11 11 LYS CA C 11 57.470 57.470 57.161 0.309 25568 2168 1 12 . 1 1 11 11 LYS CB C 11 34.015 34.015 32.745 1.270 25568 2169 1 12 . 1 1 11 11 LYS H H 11 9.543 9.543 8.712 0.831 25568 2170 1 12 . 1 1 12 12 ASN N N 12 115.051 115.051 113.993 1.058 25568 2171 1 12 . 1 1 12 12 ASN HA H 12 4.723 4.723 4.827 -0.104 25568 2172 1 12 . 1 1 12 12 ASN C C 12 174.896 174.896 174.676 0.220 25568 2173 1 12 . 1 1 12 12 ASN CA C 12 52.079 52.079 52.723 -0.644 25568 2174 1 12 . 1 1 12 12 ASN CB C 12 40.935 40.935 40.849 0.086 25568 2175 1 12 . 1 1 12 12 ASN H H 12 8.125 8.125 7.588 0.537 25568 2176 1 12 . 1 1 13 13 SER N N 13 117.741 117.741 115.794 1.947 25568 2177 1 12 . 1 1 13 13 SER HA H 13 4.116 4.116 4.352 -0.236 25568 2178 1 12 . 1 1 13 13 SER C C 13 173.269 173.269 175.291 -2.022 25568 2179 1 12 . 1 1 13 13 SER CA C 13 63.151 63.151 60.020 3.131 25568 2180 1 12 . 1 1 13 13 SER CB C 13 62.968 62.968 63.416 -0.448 25568 2181 1 12 . 1 1 13 13 SER H H 13 9.317 9.317 8.725 0.592 25568 2182 1 12 . 1 1 14 14 ASN N N 14 119.511 119.511 119.112 0.399 25568 2183 1 12 . 1 1 14 14 ASN HA H 14 4.648 4.648 4.571 0.077 25568 2184 1 12 . 1 1 14 14 ASN C C 14 174.242 174.242 176.085 -1.843 25568 2185 1 12 . 1 1 14 14 ASN CA C 14 55.139 55.139 55.142 -0.003 25568 2186 1 12 . 1 1 14 14 ASN CB C 14 37.439 37.439 38.555 -1.116 25568 2187 1 12 . 1 1 14 14 ASN H H 14 8.579 8.579 8.137 0.442 25568 2188 1 12 . 1 1 15 15 ASP N N 15 116.823 116.823 119.446 -2.623 25568 2189 1 12 . 1 1 15 15 ASP HA H 15 4.687 4.687 4.629 0.058 25568 2190 1 12 . 1 1 15 15 ASP C C 15 175.614 175.614 176.041 -0.427 25568 2191 1 12 . 1 1 15 15 ASP CA C 15 55.721 55.721 55.712 0.010 25568 2192 1 12 . 1 1 15 15 ASP CB C 15 42.465 42.465 41.649 0.816 25568 2193 1 12 . 1 1 15 15 ASP H H 15 7.797 7.797 7.686 0.111 25568 2194 1 12 . 1 1 16 16 CYS N N 16 118.609 118.609 117.303 1.306 25568 2195 1 12 . 1 1 16 16 CYS HA H 16 5.083 5.083 4.457 0.626 25568 2196 1 12 . 1 1 16 16 CYS C C 16 172.327 172.327 176.347 -4.020 25568 2197 1 12 . 1 1 16 16 CYS CA C 16 53.682 53.682 60.460 -6.778 25568 2198 1 12 . 1 1 16 16 CYS CB C 16 41.809 41.809 27.290 14.519 25568 2199 1 12 . 1 1 16 16 CYS H H 16 7.816 7.816 7.584 0.232 25568 2200 1 12 . 1 1 17 17 CYS N N 17 120.994 120.994 125.513 -4.519 25568 2201 1 12 . 1 1 17 17 CYS HA H 17 4.511 4.511 4.338 0.173 25568 2202 1 12 . 1 1 17 17 CYS C C 17 170.811 170.811 175.123 -4.312 25568 2203 1 12 . 1 1 17 17 CYS CA C 17 54.483 54.483 60.758 -6.275 25568 2204 1 12 . 1 1 17 17 CYS CB C 17 40.134 40.134 27.181 12.953 25568 2205 1 12 . 1 1 17 17 CYS H H 17 9.560 9.560 8.575 0.985 25568 2206 1 12 . 1 1 18 18 LYS N N 18 118.089 118.089 118.970 -0.881 25568 2207 1 12 . 1 1 18 18 LYS HA H 18 4.052 4.052 4.382 -0.330 25568 2208 1 12 . 1 1 18 18 LYS C C 18 174.322 174.322 175.078 -0.756 25568 2209 1 12 . 1 1 18 18 LYS CA C 18 58.562 58.562 56.201 2.361 25568 2210 1 12 . 1 1 18 18 LYS CB C 18 32.631 32.631 33.897 -1.266 25568 2211 1 12 . 1 1 18 18 LYS H H 18 8.004 8.004 7.607 0.397 25568 2212 1 12 . 1 1 19 19 ASP N N 19 116.375 116.375 118.546 -2.171 25568 2213 1 12 . 1 1 19 19 ASP HA H 19 4.295 4.295 4.295 -0.000 25568 2214 1 12 . 1 1 19 19 ASP C C 19 172.790 172.790 174.665 -1.875 25568 2215 1 12 . 1 1 19 19 ASP CA C 19 56.741 56.741 55.343 1.398 25568 2216 1 12 . 1 1 19 19 ASP CB C 19 38.677 38.677 40.331 -1.654 25568 2217 1 12 . 1 1 19 19 ASP H H 19 8.715 8.715 8.638 0.077 25568 2218 1 12 . 1 1 20 20 LEU N N 20 120.437 120.437 117.490 2.947 25568 2219 1 12 . 1 1 20 20 LEU HA H 20 5.229 5.229 5.011 0.218 25568 2220 1 12 . 1 1 20 20 LEU C C 20 173.971 173.971 176.474 -2.503 25568 2221 1 12 . 1 1 20 20 LEU CA C 20 54.920 54.920 53.134 1.786 25568 2222 1 12 . 1 1 20 20 LEU CB C 20 44.577 44.577 45.517 -0.940 25568 2223 1 12 . 1 1 20 20 LEU H H 20 8.286 8.286 7.485 0.801 25568 2224 1 12 . 1 1 21 21 VAL N N 21 112.441 112.441 115.879 -3.438 25568 2225 1 12 . 1 1 21 21 VAL HA H 21 4.579 4.579 4.499 0.080 25568 2226 1 12 . 1 1 21 21 VAL C C 21 172.790 172.790 175.042 -2.252 25568 2227 1 12 . 1 1 21 21 VAL CA C 21 58.999 58.999 60.925 -1.926 25568 2228 1 12 . 1 1 21 21 VAL CB C 21 35.836 35.836 34.785 1.051 25568 2229 1 12 . 1 1 21 21 VAL H H 21 9.324 9.324 8.515 0.809 25568 2230 1 12 . 1 1 22 22 CYS N N 22 121.656 121.656 126.809 -5.153 25568 2231 1 12 . 1 1 22 22 CYS HA H 22 4.806 4.806 4.586 0.220 25568 2232 1 12 . 1 1 22 22 CYS C C 22 173.348 173.348 175.448 -2.100 25568 2233 1 12 . 1 1 22 22 CYS CA C 22 54.629 54.629 59.989 -5.360 25568 2234 1 12 . 1 1 22 22 CYS CB C 22 39.843 39.843 25.310 14.533 25568 2235 1 12 . 1 1 22 22 CYS H H 22 8.806 8.806 8.810 -0.004 25568 2236 1 12 . 1 1 23 23 SER N N 23 124.577 124.577 124.188 0.389 25568 2237 1 12 . 1 1 23 23 SER HA H 23 4.397 4.397 4.796 -0.399 25568 2238 1 12 . 1 1 23 23 SER C C 23 175.215 175.215 174.142 1.073 25568 2239 1 12 . 1 1 23 23 SER CA C 23 58.271 58.271 57.367 0.904 25568 2240 1 12 . 1 1 23 23 SER CB C 23 63.442 63.442 65.105 -1.663 25568 2241 1 12 . 1 1 23 23 SER H H 23 8.391 8.391 8.285 0.106 25568 2242 1 12 . 1 1 24 24 SER N N 24 126.697 126.697 122.797 3.900 25568 2243 1 12 . 1 1 24 24 SER HA H 24 4.129 4.129 4.150 -0.021 25568 2244 1 12 . 1 1 24 24 SER C C 24 172.950 172.950 175.253 -2.303 25568 2245 1 12 . 1 1 24 24 SER CA C 24 60.747 60.747 60.831 -0.084 25568 2246 1 12 . 1 1 24 24 SER CB C 24 62.430 62.430 63.269 -0.839 25568 2247 1 12 . 1 1 24 24 SER H H 24 9.050 9.050 8.892 0.158 25568 2248 1 12 . 1 1 25 25 ARG N N 25 120.375 120.375 120.577 -0.202 25568 2249 1 12 . 1 1 25 25 ARG HA H 25 3.867 3.867 3.901 -0.034 25568 2250 1 12 . 1 1 25 25 ARG C C 25 175.662 175.662 176.181 -0.519 25568 2251 1 12 . 1 1 25 25 ARG CA C 25 57.542 57.542 57.883 -0.341 25568 2252 1 12 . 1 1 25 25 ARG CB C 25 30.592 30.592 29.764 0.828 25568 2253 1 12 . 1 1 25 25 ARG H H 25 7.499 7.499 7.960 -0.461 25568 2254 1 12 . 1 1 26 26 TRP N N 26 115.667 115.667 117.896 -2.229 25568 2255 1 12 . 1 1 26 26 TRP HA H 26 4.168 4.168 4.194 -0.026 25568 2256 1 12 . 1 1 26 26 TRP C C 26 173.077 173.077 174.893 -1.816 25568 2257 1 12 . 1 1 26 26 TRP CA C 26 56.158 56.158 55.996 0.162 25568 2258 1 12 . 1 1 26 26 TRP CB C 26 28.553 28.553 28.992 -0.439 25568 2259 1 12 . 1 1 26 26 TRP H H 26 7.098 7.098 7.228 -0.130 25568 2260 1 12 . 1 1 27 27 LYS N N 27 112.484 112.484 112.992 -0.508 25568 2261 1 12 . 1 1 27 27 LYS HA H 27 3.881 3.881 3.894 -0.013 25568 2262 1 12 . 1 1 27 27 LYS C C 27 173.971 173.971 174.771 -0.800 25568 2263 1 12 . 1 1 27 27 LYS CA C 27 56.287 56.287 57.363 -1.076 25568 2264 1 12 . 1 1 27 27 LYS CB C 27 27.169 27.169 29.388 -2.219 25568 2265 1 12 . 1 1 27 27 LYS H H 27 8.001 8.001 7.859 0.142 25568 2266 1 12 . 1 1 28 28 TRP N N 28 110.998 110.998 113.845 -2.847 25568 2267 1 12 . 1 1 28 28 TRP HA H 28 5.581 5.581 5.009 0.572 25568 2268 1 12 . 1 1 28 28 TRP C C 28 175.710 175.710 174.971 0.739 25568 2269 1 12 . 1 1 28 28 TRP CA C 28 55.284 55.284 55.312 -0.028 25568 2270 1 12 . 1 1 28 28 TRP CB C 28 30.519 30.519 30.068 0.451 25568 2271 1 12 . 1 1 28 28 TRP H H 28 6.947 6.947 7.629 -0.682 25568 2272 1 12 . 1 1 29 29 CYS N N 29 121.176 121.176 121.521 -0.345 25568 2273 1 12 . 1 1 29 29 CYS HA H 29 5.254 5.254 5.051 0.203 25568 2274 1 12 . 1 1 29 29 CYS C C 29 173.157 173.157 175.064 -1.907 25568 2275 1 12 . 1 1 29 29 CYS CA C 29 56.596 56.596 61.051 -4.455 25568 2276 1 12 . 1 1 29 29 CYS CB C 29 41.518 41.518 26.219 15.299 25568 2277 1 12 . 1 1 29 29 CYS H H 29 9.113 9.113 8.759 0.354 25568 2278 1 12 . 1 1 30 30 VAL N N 30 117.187 117.187 120.619 -3.432 25568 2279 1 12 . 1 1 30 30 VAL HA H 30 5.139 5.139 5.014 0.125 25568 2280 1 12 . 1 1 30 30 VAL C C 30 173.269 173.269 174.762 -1.493 25568 2281 1 12 . 1 1 30 30 VAL CA C 30 59.800 59.800 59.980 -0.180 25568 2282 1 12 . 1 1 30 30 VAL CB C 30 35.909 35.909 35.344 0.565 25568 2283 1 12 . 1 1 30 30 VAL H H 30 9.923 9.923 9.054 0.869 25568 2284 1 12 . 1 1 31 31 LEU N N 31 120.354 120.354 124.534 -4.180 25568 2285 1 12 . 1 1 31 31 LEU HA H 31 4.406 4.406 4.208 0.198 25568 2286 1 12 . 1 1 31 31 LEU C C 31 176.285 176.285 177.477 -1.192 25568 2287 1 12 . 1 1 31 31 LEU CA C 31 56.668 56.668 54.872 1.796 25568 2288 1 12 . 1 1 31 31 LEU CB C 31 41.882 41.882 39.988 1.894 25568 2289 1 12 . 1 1 31 31 LEU H H 31 8.331 8.331 8.642 -0.311 25568 2290 1 12 . 1 1 32 32 ALA N N 32 124.391 124.391 129.620 -5.229 25568 2291 1 12 . 1 1 32 32 ALA HA H 32 4.201 4.201 4.128 0.073 25568 2292 1 12 . 1 1 32 32 ALA C C 32 175.758 175.758 177.310 -1.552 25568 2293 1 12 . 1 1 32 32 ALA CA C 32 52.881 52.881 52.271 0.610 25568 2294 1 12 . 1 1 32 32 ALA CB C 32 19.229 19.229 19.404 -0.175 25568 2295 1 12 . 1 1 32 32 ALA H H 32 8.366 8.366 8.003 0.363 25568 2296 1 12 . 1 1 33 33 SER N N 33 115.562 115.562 117.542 -1.980 25568 2297 1 12 . 1 1 33 33 SER HA H 33 4.763 4.763 4.392 0.371 25568 2298 1 12 . 1 1 33 33 SER CA C 33 56.062 56.062 57.200 -1.138 25568 2299 1 12 . 1 1 33 33 SER CB C 33 63.765 63.765 62.979 0.786 25568 2300 1 12 . 1 1 33 33 SER H H 33 8.188 8.188 8.299 -0.111 25568 2301 1 12 . 1 1 34 34 PRO HA H 34 4.387 4.387 4.518 -0.131 25568 2302 1 12 . 1 1 34 34 PRO C C 34 173.907 173.907 176.148 -2.241 25568 2303 1 12 . 1 1 34 34 PRO CA C 34 63.667 63.667 64.317 -0.650 25568 2304 1 12 . 1 1 34 34 PRO CB C 34 31.736 31.736 32.209 -0.473 25568 2305 1 13 . 1 1 2 2 GLU N N 2 121.648 121.648 121.171 0.477 25568 2306 1 13 . 1 1 2 2 GLU HA H 2 4.501 4.501 4.442 0.059 25568 2307 1 13 . 1 1 2 2 GLU C C 2 173.747 173.747 175.992 -2.245 25568 2308 1 13 . 1 1 2 2 GLU CA C 2 56.086 56.086 56.574 -0.488 25568 2309 1 13 . 1 1 2 2 GLU CB C 2 30.592 30.592 30.258 0.334 25568 2310 1 13 . 1 1 2 2 GLU H H 2 8.802 8.802 8.499 0.303 25568 2311 1 13 . 1 1 3 3 CYS N N 3 119.267 119.267 116.695 2.572 25568 2312 1 13 . 1 1 3 3 CYS HA H 3 4.568 4.568 4.742 -0.174 25568 2313 1 13 . 1 1 3 3 CYS C C 3 171.833 171.833 174.741 -2.908 25568 2314 1 13 . 1 1 3 3 CYS CA C 3 54.337 54.337 57.123 -2.786 25568 2315 1 13 . 1 1 3 3 CYS CB C 3 41.809 41.809 30.048 11.761 25568 2316 1 13 . 1 1 3 3 CYS H H 3 8.252 8.252 8.147 0.105 25568 2317 1 13 . 1 1 4 4 GLY N N 4 107.188 107.188 107.681 -0.493 25568 2318 1 13 . 1 1 4 4 GLY CA C 4 46.766 46.766 45.481 1.285 25568 2319 1 13 . 1 1 4 4 GLY H H 4 8.642 8.642 8.468 0.174 25568 2320 1 13 . 1 1 5 5 LYS N N 5 124.281 124.281 116.682 7.599 25568 2321 1 13 . 1 1 5 5 LYS HA H 5 3.978 3.978 4.074 -0.096 25568 2322 1 13 . 1 1 5 5 LYS C C 5 172.710 172.710 174.278 -1.568 25568 2323 1 13 . 1 1 5 5 LYS CA C 5 54.483 54.483 54.798 -0.315 25568 2324 1 13 . 1 1 5 5 LYS CB C 5 32.688 32.688 34.150 -1.462 25568 2325 1 13 . 1 1 5 5 LYS H H 5 5.250 5.250 7.867 -2.617 25568 2326 1 13 . 1 1 6 6 PHE N N 6 119.437 119.437 120.486 -1.049 25568 2327 1 13 . 1 1 6 6 PHE HA H 6 4.077 4.077 4.325 -0.248 25568 2328 1 13 . 1 1 6 6 PHE C C 6 174.609 174.609 175.824 -1.215 25568 2329 1 13 . 1 1 6 6 PHE CA C 6 59.363 59.363 59.506 -0.143 25568 2330 1 13 . 1 1 6 6 PHE CB C 6 38.968 38.968 39.361 -0.393 25568 2331 1 13 . 1 1 6 6 PHE H H 6 8.141 8.141 8.203 -0.062 25568 2332 1 13 . 1 1 7 7 MET N N 7 118.789 118.789 120.161 -1.372 25568 2333 1 13 . 1 1 7 7 MET HA H 7 2.968 2.968 2.834 0.134 25568 2334 1 13 . 1 1 7 7 MET C C 7 174.035 174.035 173.878 0.157 25568 2335 1 13 . 1 1 7 7 MET CA C 7 58.125 58.125 56.024 2.101 25568 2336 1 13 . 1 1 7 7 MET CB C 7 29.062 29.062 29.614 -0.552 25568 2337 1 13 . 1 1 7 7 MET H H 7 9.152 9.152 8.232 0.920 25568 2338 1 13 . 1 1 8 8 TRP N N 8 122.588 122.588 120.246 2.342 25568 2339 1 13 . 1 1 8 8 TRP HA H 8 4.626 4.626 4.790 -0.164 25568 2340 1 13 . 1 1 8 8 TRP C C 8 174.497 174.497 176.290 -1.793 25568 2341 1 13 . 1 1 8 8 TRP CA C 8 57.397 57.397 54.961 2.436 25568 2342 1 13 . 1 1 8 8 TRP CB C 8 28.697 28.697 30.046 -1.349 25568 2343 1 13 . 1 1 8 8 TRP H H 8 8.796 8.796 7.491 1.305 25568 2344 1 13 . 1 1 9 9 LYS N N 9 121.982 121.982 123.895 -1.913 25568 2345 1 13 . 1 1 9 9 LYS HA H 9 4.639 4.639 4.591 0.048 25568 2346 1 13 . 1 1 9 9 LYS C C 9 173.588 173.588 176.604 -3.016 25568 2347 1 13 . 1 1 9 9 LYS CA C 9 57.251 57.251 58.211 -0.960 25568 2348 1 13 . 1 1 9 9 LYS CB C 9 32.559 32.559 32.796 -0.237 25568 2349 1 13 . 1 1 9 9 LYS H H 9 8.289 8.289 8.679 -0.390 25568 2350 1 13 . 1 1 10 10 CYS N N 10 115.637 115.637 118.414 -2.777 25568 2351 1 13 . 1 1 10 10 CYS HA H 10 5.000 5.000 4.873 0.127 25568 2352 1 13 . 1 1 10 10 CYS C C 10 170.732 170.732 174.028 -3.296 25568 2353 1 13 . 1 1 10 10 CYS CA C 10 53.609 53.609 57.108 -3.499 25568 2354 1 13 . 1 1 10 10 CYS CB C 10 47.345 47.345 30.268 17.077 25568 2355 1 13 . 1 1 10 10 CYS H H 10 8.131 8.131 8.493 -0.362 25568 2356 1 13 . 1 1 11 11 LYS N N 11 119.567 119.567 121.437 -1.870 25568 2357 1 13 . 1 1 11 11 LYS HA H 11 4.429 4.429 4.348 0.081 25568 2358 1 13 . 1 1 11 11 LYS C C 11 174.737 174.737 175.672 -0.935 25568 2359 1 13 . 1 1 11 11 LYS CA C 11 57.470 57.470 57.617 -0.147 25568 2360 1 13 . 1 1 11 11 LYS CB C 11 34.015 34.015 32.863 1.152 25568 2361 1 13 . 1 1 11 11 LYS H H 11 9.543 9.543 9.030 0.513 25568 2362 1 13 . 1 1 12 12 ASN N N 12 115.051 115.051 113.891 1.160 25568 2363 1 13 . 1 1 12 12 ASN HA H 12 4.723 4.723 4.747 -0.024 25568 2364 1 13 . 1 1 12 12 ASN C C 12 174.896 174.896 174.987 -0.091 25568 2365 1 13 . 1 1 12 12 ASN CA C 12 52.079 52.079 52.299 -0.220 25568 2366 1 13 . 1 1 12 12 ASN CB C 12 40.935 40.935 39.213 1.722 25568 2367 1 13 . 1 1 12 12 ASN H H 12 8.125 8.125 7.457 0.668 25568 2368 1 13 . 1 1 13 13 SER N N 13 117.741 117.741 113.992 3.749 25568 2369 1 13 . 1 1 13 13 SER HA H 13 4.116 4.116 4.413 -0.297 25568 2370 1 13 . 1 1 13 13 SER C C 13 173.269 173.269 175.112 -1.843 25568 2371 1 13 . 1 1 13 13 SER CA C 13 63.151 63.151 59.169 3.982 25568 2372 1 13 . 1 1 13 13 SER CB C 13 62.968 62.968 63.411 -0.443 25568 2373 1 13 . 1 1 13 13 SER H H 13 9.317 9.317 8.644 0.673 25568 2374 1 13 . 1 1 14 14 ASN N N 14 119.511 119.511 118.951 0.560 25568 2375 1 13 . 1 1 14 14 ASN HA H 14 4.648 4.648 4.607 0.041 25568 2376 1 13 . 1 1 14 14 ASN C C 14 174.242 174.242 176.394 -2.152 25568 2377 1 13 . 1 1 14 14 ASN CA C 14 55.139 55.139 54.814 0.325 25568 2378 1 13 . 1 1 14 14 ASN CB C 14 37.439 37.439 37.960 -0.521 25568 2379 1 13 . 1 1 14 14 ASN H H 14 8.579 8.579 8.325 0.254 25568 2380 1 13 . 1 1 15 15 ASP N N 15 116.823 116.823 119.203 -2.380 25568 2381 1 13 . 1 1 15 15 ASP HA H 15 4.687 4.687 4.631 0.056 25568 2382 1 13 . 1 1 15 15 ASP C C 15 175.614 175.614 176.059 -0.445 25568 2383 1 13 . 1 1 15 15 ASP CA C 15 55.721 55.721 55.382 0.339 25568 2384 1 13 . 1 1 15 15 ASP CB C 15 42.465 42.465 41.608 0.857 25568 2385 1 13 . 1 1 15 15 ASP H H 15 7.797 7.797 7.933 -0.136 25568 2386 1 13 . 1 1 16 16 CYS N N 16 118.609 118.609 117.745 0.864 25568 2387 1 13 . 1 1 16 16 CYS HA H 16 5.083 5.083 4.434 0.649 25568 2388 1 13 . 1 1 16 16 CYS C C 16 172.327 172.327 176.323 -3.996 25568 2389 1 13 . 1 1 16 16 CYS CA C 16 53.682 53.682 60.206 -6.524 25568 2390 1 13 . 1 1 16 16 CYS CB C 16 41.809 41.809 27.266 14.543 25568 2391 1 13 . 1 1 16 16 CYS H H 16 7.816 7.816 7.597 0.219 25568 2392 1 13 . 1 1 17 17 CYS N N 17 120.994 120.994 125.576 -4.582 25568 2393 1 13 . 1 1 17 17 CYS HA H 17 4.511 4.511 4.340 0.171 25568 2394 1 13 . 1 1 17 17 CYS C C 17 170.811 170.811 175.147 -4.336 25568 2395 1 13 . 1 1 17 17 CYS CA C 17 54.483 54.483 60.771 -6.288 25568 2396 1 13 . 1 1 17 17 CYS CB C 17 40.134 40.134 27.173 12.961 25568 2397 1 13 . 1 1 17 17 CYS H H 17 9.560 9.560 8.587 0.973 25568 2398 1 13 . 1 1 18 18 LYS N N 18 118.089 118.089 118.555 -0.466 25568 2399 1 13 . 1 1 18 18 LYS HA H 18 4.052 4.052 4.360 -0.308 25568 2400 1 13 . 1 1 18 18 LYS C C 18 174.322 174.322 175.077 -0.755 25568 2401 1 13 . 1 1 18 18 LYS CA C 18 58.562 58.562 56.226 2.336 25568 2402 1 13 . 1 1 18 18 LYS CB C 18 32.631 32.631 33.729 -1.098 25568 2403 1 13 . 1 1 18 18 LYS H H 18 8.004 8.004 7.536 0.468 25568 2404 1 13 . 1 1 19 19 ASP N N 19 116.375 116.375 120.989 -4.614 25568 2405 1 13 . 1 1 19 19 ASP HA H 19 4.295 4.295 4.402 -0.107 25568 2406 1 13 . 1 1 19 19 ASP C C 19 172.790 172.790 174.363 -1.573 25568 2407 1 13 . 1 1 19 19 ASP CA C 19 56.741 56.741 55.389 1.352 25568 2408 1 13 . 1 1 19 19 ASP CB C 19 38.677 38.677 40.583 -1.906 25568 2409 1 13 . 1 1 19 19 ASP H H 19 8.715 8.715 8.619 0.096 25568 2410 1 13 . 1 1 20 20 LEU N N 20 120.437 120.437 116.895 3.542 25568 2411 1 13 . 1 1 20 20 LEU HA H 20 5.229 5.229 4.984 0.245 25568 2412 1 13 . 1 1 20 20 LEU C C 20 173.971 173.971 176.316 -2.345 25568 2413 1 13 . 1 1 20 20 LEU CA C 20 54.920 54.920 52.880 2.041 25568 2414 1 13 . 1 1 20 20 LEU CB C 20 44.577 44.577 45.564 -0.987 25568 2415 1 13 . 1 1 20 20 LEU H H 20 8.286 8.286 7.497 0.789 25568 2416 1 13 . 1 1 21 21 VAL N N 21 112.441 112.441 115.102 -2.661 25568 2417 1 13 . 1 1 21 21 VAL HA H 21 4.579 4.579 4.547 0.032 25568 2418 1 13 . 1 1 21 21 VAL C C 21 172.790 172.790 174.833 -2.043 25568 2419 1 13 . 1 1 21 21 VAL CA C 21 58.999 58.999 60.392 -1.393 25568 2420 1 13 . 1 1 21 21 VAL CB C 21 35.836 35.836 34.506 1.330 25568 2421 1 13 . 1 1 21 21 VAL H H 21 9.324 9.324 8.579 0.745 25568 2422 1 13 . 1 1 22 22 CYS N N 22 121.656 121.656 127.256 -5.600 25568 2423 1 13 . 1 1 22 22 CYS HA H 22 4.806 4.806 4.534 0.272 25568 2424 1 13 . 1 1 22 22 CYS C C 22 173.348 173.348 175.259 -1.911 25568 2425 1 13 . 1 1 22 22 CYS CA C 22 54.629 54.629 59.712 -5.083 25568 2426 1 13 . 1 1 22 22 CYS CB C 22 39.843 39.843 25.182 14.661 25568 2427 1 13 . 1 1 22 22 CYS H H 22 8.806 8.806 8.853 -0.047 25568 2428 1 13 . 1 1 23 23 SER N N 23 124.577 124.577 124.352 0.225 25568 2429 1 13 . 1 1 23 23 SER HA H 23 4.397 4.397 4.739 -0.342 25568 2430 1 13 . 1 1 23 23 SER C C 23 175.215 175.215 174.336 0.879 25568 2431 1 13 . 1 1 23 23 SER CA C 23 58.271 58.271 57.921 0.350 25568 2432 1 13 . 1 1 23 23 SER CB C 23 63.442 63.442 64.770 -1.328 25568 2433 1 13 . 1 1 23 23 SER H H 23 8.391 8.391 8.259 0.132 25568 2434 1 13 . 1 1 24 24 SER N N 24 126.697 126.697 121.911 4.786 25568 2435 1 13 . 1 1 24 24 SER HA H 24 4.129 4.129 4.040 0.089 25568 2436 1 13 . 1 1 24 24 SER C C 24 172.950 172.950 175.511 -2.561 25568 2437 1 13 . 1 1 24 24 SER CA C 24 60.747 60.747 60.205 0.542 25568 2438 1 13 . 1 1 24 24 SER CB C 24 62.430 62.430 63.017 -0.587 25568 2439 1 13 . 1 1 24 24 SER H H 24 9.050 9.050 8.935 0.115 25568 2440 1 13 . 1 1 25 25 ARG N N 25 120.375 120.375 120.451 -0.076 25568 2441 1 13 . 1 1 25 25 ARG HA H 25 3.867 3.867 3.854 0.013 25568 2442 1 13 . 1 1 25 25 ARG C C 25 175.662 175.662 176.468 -0.806 25568 2443 1 13 . 1 1 25 25 ARG CA C 25 57.542 57.542 58.322 -0.780 25568 2444 1 13 . 1 1 25 25 ARG CB C 25 30.592 30.592 29.701 0.891 25568 2445 1 13 . 1 1 25 25 ARG H H 25 7.499 7.499 8.132 -0.633 25568 2446 1 13 . 1 1 26 26 TRP N N 26 115.667 115.667 117.871 -2.204 25568 2447 1 13 . 1 1 26 26 TRP HA H 26 4.168 4.168 4.198 -0.030 25568 2448 1 13 . 1 1 26 26 TRP C C 26 173.077 173.077 174.899 -1.822 25568 2449 1 13 . 1 1 26 26 TRP CA C 26 56.158 56.158 56.007 0.151 25568 2450 1 13 . 1 1 26 26 TRP CB C 26 28.553 28.553 28.967 -0.414 25568 2451 1 13 . 1 1 26 26 TRP H H 26 7.098 7.098 7.243 -0.145 25568 2452 1 13 . 1 1 27 27 LYS N N 27 112.484 112.484 112.968 -0.484 25568 2453 1 13 . 1 1 27 27 LYS HA H 27 3.881 3.881 3.898 -0.017 25568 2454 1 13 . 1 1 27 27 LYS C C 27 173.971 173.971 174.777 -0.806 25568 2455 1 13 . 1 1 27 27 LYS CA C 27 56.287 56.287 57.359 -1.072 25568 2456 1 13 . 1 1 27 27 LYS CB C 27 27.169 27.169 29.385 -2.216 25568 2457 1 13 . 1 1 27 27 LYS H H 27 8.001 8.001 7.864 0.137 25568 2458 1 13 . 1 1 28 28 TRP N N 28 110.998 110.998 113.846 -2.848 25568 2459 1 13 . 1 1 28 28 TRP HA H 28 5.581 5.581 5.013 0.568 25568 2460 1 13 . 1 1 28 28 TRP C C 28 175.710 175.710 174.981 0.729 25568 2461 1 13 . 1 1 28 28 TRP CA C 28 55.284 55.284 55.309 -0.026 25568 2462 1 13 . 1 1 28 28 TRP CB C 28 30.519 30.519 30.067 0.452 25568 2463 1 13 . 1 1 28 28 TRP H H 28 6.947 6.947 7.637 -0.690 25568 2464 1 13 . 1 1 29 29 CYS N N 29 121.176 121.176 121.548 -0.372 25568 2465 1 13 . 1 1 29 29 CYS HA H 29 5.254 5.254 5.050 0.204 25568 2466 1 13 . 1 1 29 29 CYS C C 29 173.157 173.157 175.066 -1.909 25568 2467 1 13 . 1 1 29 29 CYS CA C 29 56.596 56.596 61.091 -4.495 25568 2468 1 13 . 1 1 29 29 CYS CB C 29 41.518 41.518 26.219 15.299 25568 2469 1 13 . 1 1 29 29 CYS H H 29 9.113 9.113 8.766 0.347 25568 2470 1 13 . 1 1 30 30 VAL N N 30 117.187 117.187 120.679 -3.492 25568 2471 1 13 . 1 1 30 30 VAL HA H 30 5.139 5.139 5.015 0.124 25568 2472 1 13 . 1 1 30 30 VAL C C 30 173.269 173.269 174.777 -1.508 25568 2473 1 13 . 1 1 30 30 VAL CA C 30 59.800 59.800 59.985 -0.185 25568 2474 1 13 . 1 1 30 30 VAL CB C 30 35.909 35.909 35.348 0.561 25568 2475 1 13 . 1 1 30 30 VAL H H 30 9.923 9.923 9.058 0.865 25568 2476 1 13 . 1 1 31 31 LEU N N 31 120.354 120.354 124.512 -4.158 25568 2477 1 13 . 1 1 31 31 LEU HA H 31 4.406 4.406 4.234 0.172 25568 2478 1 13 . 1 1 31 31 LEU C C 31 176.285 176.285 177.644 -1.359 25568 2479 1 13 . 1 1 31 31 LEU CA C 31 56.668 56.668 54.882 1.786 25568 2480 1 13 . 1 1 31 31 LEU CB C 31 41.882 41.882 39.945 1.937 25568 2481 1 13 . 1 1 31 31 LEU H H 31 8.331 8.331 8.643 -0.312 25568 2482 1 13 . 1 1 32 32 ALA N N 32 124.391 124.391 128.848 -4.457 25568 2483 1 13 . 1 1 32 32 ALA HA H 32 4.201 4.201 4.294 -0.093 25568 2484 1 13 . 1 1 32 32 ALA C C 32 175.758 175.758 177.063 -1.305 25568 2485 1 13 . 1 1 32 32 ALA CA C 32 52.881 52.881 52.627 0.254 25568 2486 1 13 . 1 1 32 32 ALA CB C 32 19.229 19.229 19.660 -0.431 25568 2487 1 13 . 1 1 32 32 ALA H H 32 8.366 8.366 8.120 0.246 25568 2488 1 13 . 1 1 33 33 SER N N 33 115.562 115.562 118.224 -2.662 25568 2489 1 13 . 1 1 33 33 SER HA H 33 4.763 4.763 4.695 0.068 25568 2490 1 13 . 1 1 33 33 SER CA C 33 56.062 56.062 56.274 -0.212 25568 2491 1 13 . 1 1 33 33 SER CB C 33 63.765 63.765 63.346 0.419 25568 2492 1 13 . 1 1 33 33 SER H H 33 8.188 8.188 8.096 0.092 25568 2493 1 13 . 1 1 34 34 PRO HA H 34 4.387 4.387 4.424 -0.037 25568 2494 1 13 . 1 1 34 34 PRO C C 34 173.907 173.907 176.528 -2.621 25568 2495 1 13 . 1 1 34 34 PRO CA C 34 63.667 63.667 63.950 -0.283 25568 2496 1 13 . 1 1 34 34 PRO CB C 34 31.736 31.736 31.792 -0.056 25568 2497 1 14 . 1 1 2 2 GLU N N 2 121.648 121.648 123.041 -1.393 25568 2498 1 14 . 1 1 2 2 GLU HA H 2 4.501 4.501 4.255 0.246 25568 2499 1 14 . 1 1 2 2 GLU C C 2 173.747 173.747 176.155 -2.408 25568 2500 1 14 . 1 1 2 2 GLU CA C 2 56.086 56.086 56.616 -0.530 25568 2501 1 14 . 1 1 2 2 GLU CB C 2 30.592 30.592 30.384 0.208 25568 2502 1 14 . 1 1 2 2 GLU H H 2 8.802 8.802 8.344 0.458 25568 2503 1 14 . 1 1 3 3 CYS N N 3 119.267 119.267 116.877 2.390 25568 2504 1 14 . 1 1 3 3 CYS HA H 3 4.568 4.568 4.778 -0.210 25568 2505 1 14 . 1 1 3 3 CYS C C 3 171.833 171.833 174.801 -2.968 25568 2506 1 14 . 1 1 3 3 CYS CA C 3 54.337 54.337 57.298 -2.961 25568 2507 1 14 . 1 1 3 3 CYS CB C 3 41.809 41.809 29.625 12.184 25568 2508 1 14 . 1 1 3 3 CYS H H 3 8.252 8.252 8.237 0.015 25568 2509 1 14 . 1 1 4 4 GLY N N 4 107.188 107.188 107.616 -0.428 25568 2510 1 14 . 1 1 4 4 GLY CA C 4 46.766 46.766 45.495 1.271 25568 2511 1 14 . 1 1 4 4 GLY H H 4 8.642 8.642 8.499 0.143 25568 2512 1 14 . 1 1 5 5 LYS N N 5 124.281 124.281 116.867 7.414 25568 2513 1 14 . 1 1 5 5 LYS HA H 5 3.978 3.978 4.086 -0.108 25568 2514 1 14 . 1 1 5 5 LYS C C 5 172.710 172.710 174.255 -1.545 25568 2515 1 14 . 1 1 5 5 LYS CA C 5 54.483 54.483 54.836 -0.353 25568 2516 1 14 . 1 1 5 5 LYS CB C 5 32.688 32.688 33.972 -1.284 25568 2517 1 14 . 1 1 5 5 LYS H H 5 5.250 5.250 7.953 -2.703 25568 2518 1 14 . 1 1 6 6 PHE N N 6 119.437 119.437 120.493 -1.056 25568 2519 1 14 . 1 1 6 6 PHE HA H 6 4.077 4.077 4.324 -0.247 25568 2520 1 14 . 1 1 6 6 PHE C C 6 174.609 174.609 175.820 -1.211 25568 2521 1 14 . 1 1 6 6 PHE CA C 6 59.363 59.363 59.494 -0.131 25568 2522 1 14 . 1 1 6 6 PHE CB C 6 38.968 38.968 39.355 -0.387 25568 2523 1 14 . 1 1 6 6 PHE H H 6 8.141 8.141 8.204 -0.063 25568 2524 1 14 . 1 1 7 7 MET N N 7 118.789 118.789 120.396 -1.607 25568 2525 1 14 . 1 1 7 7 MET HA H 7 2.968 2.968 2.829 0.139 25568 2526 1 14 . 1 1 7 7 MET C C 7 174.035 174.035 174.160 -0.125 25568 2527 1 14 . 1 1 7 7 MET CA C 7 58.125 58.125 56.174 1.951 25568 2528 1 14 . 1 1 7 7 MET CB C 7 29.062 29.062 29.864 -0.802 25568 2529 1 14 . 1 1 7 7 MET H H 7 9.152 9.152 8.223 0.929 25568 2530 1 14 . 1 1 8 8 TRP N N 8 122.588 122.588 120.120 2.468 25568 2531 1 14 . 1 1 8 8 TRP HA H 8 4.626 4.626 4.699 -0.073 25568 2532 1 14 . 1 1 8 8 TRP C C 8 174.497 174.497 176.186 -1.689 25568 2533 1 14 . 1 1 8 8 TRP CA C 8 57.397 57.397 54.739 2.658 25568 2534 1 14 . 1 1 8 8 TRP CB C 8 28.697 28.697 30.119 -1.422 25568 2535 1 14 . 1 1 8 8 TRP H H 8 8.796 8.796 7.460 1.336 25568 2536 1 14 . 1 1 9 9 LYS N N 9 121.982 121.982 123.636 -1.654 25568 2537 1 14 . 1 1 9 9 LYS HA H 9 4.639 4.639 4.564 0.075 25568 2538 1 14 . 1 1 9 9 LYS C C 9 173.588 173.588 176.388 -2.800 25568 2539 1 14 . 1 1 9 9 LYS CA C 9 57.251 57.251 58.184 -0.933 25568 2540 1 14 . 1 1 9 9 LYS CB C 9 32.559 32.559 32.931 -0.372 25568 2541 1 14 . 1 1 9 9 LYS H H 9 8.289 8.289 8.689 -0.400 25568 2542 1 14 . 1 1 10 10 CYS N N 10 115.637 115.637 118.972 -3.335 25568 2543 1 14 . 1 1 10 10 CYS HA H 10 5.000 5.000 4.849 0.151 25568 2544 1 14 . 1 1 10 10 CYS C C 10 170.732 170.732 173.664 -2.932 25568 2545 1 14 . 1 1 10 10 CYS CA C 10 53.609 53.609 57.374 -3.765 25568 2546 1 14 . 1 1 10 10 CYS CB C 10 47.345 47.345 30.158 17.187 25568 2547 1 14 . 1 1 10 10 CYS H H 10 8.131 8.131 8.545 -0.414 25568 2548 1 14 . 1 1 11 11 LYS N N 11 119.567 119.567 120.079 -0.512 25568 2549 1 14 . 1 1 11 11 LYS HA H 11 4.429 4.429 4.304 0.125 25568 2550 1 14 . 1 1 11 11 LYS C C 11 174.737 174.737 175.454 -0.717 25568 2551 1 14 . 1 1 11 11 LYS CA C 11 57.470 57.470 57.546 -0.076 25568 2552 1 14 . 1 1 11 11 LYS CB C 11 34.015 34.015 32.645 1.370 25568 2553 1 14 . 1 1 11 11 LYS H H 11 9.543 9.543 8.720 0.823 25568 2554 1 14 . 1 1 12 12 ASN N N 12 115.051 115.051 115.229 -0.178 25568 2555 1 14 . 1 1 12 12 ASN HA H 12 4.723 4.723 4.772 -0.049 25568 2556 1 14 . 1 1 12 12 ASN C C 12 174.896 174.896 174.557 0.339 25568 2557 1 14 . 1 1 12 12 ASN CA C 12 52.079 52.079 51.895 0.184 25568 2558 1 14 . 1 1 12 12 ASN CB C 12 40.935 40.935 39.616 1.319 25568 2559 1 14 . 1 1 12 12 ASN H H 12 8.125 8.125 7.597 0.528 25568 2560 1 14 . 1 1 13 13 SER N N 13 117.741 117.741 113.512 4.229 25568 2561 1 14 . 1 1 13 13 SER HA H 13 4.116 4.116 4.437 -0.321 25568 2562 1 14 . 1 1 13 13 SER C C 13 173.269 173.269 175.067 -1.798 25568 2563 1 14 . 1 1 13 13 SER CA C 13 63.151 63.151 60.201 2.950 25568 2564 1 14 . 1 1 13 13 SER CB C 13 62.968 62.968 63.205 -0.237 25568 2565 1 14 . 1 1 13 13 SER H H 13 9.317 9.317 8.704 0.613 25568 2566 1 14 . 1 1 14 14 ASN N N 14 119.511 119.511 119.565 -0.054 25568 2567 1 14 . 1 1 14 14 ASN HA H 14 4.648 4.648 4.554 0.094 25568 2568 1 14 . 1 1 14 14 ASN C C 14 174.242 174.242 176.452 -2.210 25568 2569 1 14 . 1 1 14 14 ASN CA C 14 55.139 55.139 55.352 -0.213 25568 2570 1 14 . 1 1 14 14 ASN CB C 14 37.439 37.439 38.326 -0.887 25568 2571 1 14 . 1 1 14 14 ASN H H 14 8.579 8.579 7.716 0.863 25568 2572 1 14 . 1 1 15 15 ASP N N 15 116.823 116.823 119.586 -2.763 25568 2573 1 14 . 1 1 15 15 ASP HA H 15 4.687 4.687 4.638 0.049 25568 2574 1 14 . 1 1 15 15 ASP C C 15 175.614 175.614 176.057 -0.443 25568 2575 1 14 . 1 1 15 15 ASP CA C 15 55.721 55.721 55.593 0.128 25568 2576 1 14 . 1 1 15 15 ASP CB C 15 42.465 42.465 41.574 0.891 25568 2577 1 14 . 1 1 15 15 ASP H H 15 7.797 7.797 7.967 -0.170 25568 2578 1 14 . 1 1 16 16 CYS N N 16 118.609 118.609 117.462 1.147 25568 2579 1 14 . 1 1 16 16 CYS HA H 16 5.083 5.083 4.456 0.627 25568 2580 1 14 . 1 1 16 16 CYS C C 16 172.327 172.327 176.084 -3.757 25568 2581 1 14 . 1 1 16 16 CYS CA C 16 53.682 53.682 60.600 -6.918 25568 2582 1 14 . 1 1 16 16 CYS CB C 16 41.809 41.809 27.387 14.422 25568 2583 1 14 . 1 1 16 16 CYS H H 16 7.816 7.816 7.584 0.232 25568 2584 1 14 . 1 1 17 17 CYS N N 17 120.994 120.994 125.262 -4.268 25568 2585 1 14 . 1 1 17 17 CYS HA H 17 4.511 4.511 4.332 0.179 25568 2586 1 14 . 1 1 17 17 CYS C C 17 170.811 170.811 175.074 -4.263 25568 2587 1 14 . 1 1 17 17 CYS CA C 17 54.483 54.483 60.740 -6.257 25568 2588 1 14 . 1 1 17 17 CYS CB C 17 40.134 40.134 27.339 12.795 25568 2589 1 14 . 1 1 17 17 CYS H H 17 9.560 9.560 8.589 0.971 25568 2590 1 14 . 1 1 18 18 LYS N N 18 118.089 118.089 119.055 -0.966 25568 2591 1 14 . 1 1 18 18 LYS HA H 18 4.052 4.052 4.382 -0.330 25568 2592 1 14 . 1 1 18 18 LYS C C 18 174.322 174.322 174.994 -0.672 25568 2593 1 14 . 1 1 18 18 LYS CA C 18 58.562 58.562 56.321 2.241 25568 2594 1 14 . 1 1 18 18 LYS CB C 18 32.631 32.631 33.856 -1.225 25568 2595 1 14 . 1 1 18 18 LYS H H 18 8.004 8.004 7.549 0.455 25568 2596 1 14 . 1 1 19 19 ASP N N 19 116.375 116.375 120.035 -3.660 25568 2597 1 14 . 1 1 19 19 ASP HA H 19 4.295 4.295 4.371 -0.076 25568 2598 1 14 . 1 1 19 19 ASP C C 19 172.790 172.790 174.490 -1.700 25568 2599 1 14 . 1 1 19 19 ASP CA C 19 56.741 56.741 55.245 1.496 25568 2600 1 14 . 1 1 19 19 ASP CB C 19 38.677 38.677 39.916 -1.239 25568 2601 1 14 . 1 1 19 19 ASP H H 19 8.715 8.715 8.584 0.131 25568 2602 1 14 . 1 1 20 20 LEU N N 20 120.437 120.437 117.278 3.159 25568 2603 1 14 . 1 1 20 20 LEU HA H 20 5.229 5.229 4.975 0.254 25568 2604 1 14 . 1 1 20 20 LEU C C 20 173.971 173.971 176.422 -2.451 25568 2605 1 14 . 1 1 20 20 LEU CA C 20 54.920 54.920 53.149 1.771 25568 2606 1 14 . 1 1 20 20 LEU CB C 20 44.577 44.577 45.753 -1.176 25568 2607 1 14 . 1 1 20 20 LEU H H 20 8.286 8.286 7.436 0.850 25568 2608 1 14 . 1 1 21 21 VAL N N 21 112.441 112.441 115.351 -2.910 25568 2609 1 14 . 1 1 21 21 VAL HA H 21 4.579 4.579 4.548 0.031 25568 2610 1 14 . 1 1 21 21 VAL C C 21 172.790 172.790 174.902 -2.112 25568 2611 1 14 . 1 1 21 21 VAL CA C 21 58.999 58.999 60.390 -1.391 25568 2612 1 14 . 1 1 21 21 VAL CB C 21 35.836 35.836 34.558 1.278 25568 2613 1 14 . 1 1 21 21 VAL H H 21 9.324 9.324 8.567 0.757 25568 2614 1 14 . 1 1 22 22 CYS N N 22 121.656 121.656 127.271 -5.615 25568 2615 1 14 . 1 1 22 22 CYS HA H 22 4.806 4.806 4.524 0.282 25568 2616 1 14 . 1 1 22 22 CYS C C 22 173.348 173.348 175.282 -1.934 25568 2617 1 14 . 1 1 22 22 CYS CA C 22 54.629 54.629 59.747 -5.118 25568 2618 1 14 . 1 1 22 22 CYS CB C 22 39.843 39.843 25.173 14.670 25568 2619 1 14 . 1 1 22 22 CYS H H 22 8.806 8.806 8.870 -0.064 25568 2620 1 14 . 1 1 23 23 SER N N 23 124.577 124.577 124.773 -0.196 25568 2621 1 14 . 1 1 23 23 SER HA H 23 4.397 4.397 4.700 -0.303 25568 2622 1 14 . 1 1 23 23 SER C C 23 175.215 175.215 174.191 1.024 25568 2623 1 14 . 1 1 23 23 SER CA C 23 58.271 58.271 57.842 0.429 25568 2624 1 14 . 1 1 23 23 SER CB C 23 63.442 63.442 64.837 -1.395 25568 2625 1 14 . 1 1 23 23 SER H H 23 8.391 8.391 8.291 0.100 25568 2626 1 14 . 1 1 24 24 SER N N 24 126.697 126.697 121.974 4.723 25568 2627 1 14 . 1 1 24 24 SER HA H 24 4.129 4.129 4.101 0.028 25568 2628 1 14 . 1 1 24 24 SER C C 24 172.950 172.950 175.537 -2.587 25568 2629 1 14 . 1 1 24 24 SER CA C 24 60.747 60.747 60.100 0.647 25568 2630 1 14 . 1 1 24 24 SER CB C 24 62.430 62.430 63.074 -0.644 25568 2631 1 14 . 1 1 24 24 SER H H 24 9.050 9.050 8.999 0.051 25568 2632 1 14 . 1 1 25 25 ARG N N 25 120.375 120.375 121.024 -0.649 25568 2633 1 14 . 1 1 25 25 ARG HA H 25 3.867 3.867 3.862 0.005 25568 2634 1 14 . 1 1 25 25 ARG C C 25 175.662 175.662 177.319 -1.657 25568 2635 1 14 . 1 1 25 25 ARG CA C 25 57.542 57.542 58.768 -1.226 25568 2636 1 14 . 1 1 25 25 ARG CB C 25 30.592 30.592 29.705 0.887 25568 2637 1 14 . 1 1 25 25 ARG H H 25 7.499 7.499 8.275 -0.776 25568 2638 1 14 . 1 1 26 26 TRP N N 26 115.667 115.667 116.953 -1.286 25568 2639 1 14 . 1 1 26 26 TRP HA H 26 4.168 4.168 4.175 -0.007 25568 2640 1 14 . 1 1 26 26 TRP C C 26 173.077 173.077 175.206 -2.129 25568 2641 1 14 . 1 1 26 26 TRP CA C 26 56.158 56.158 56.184 -0.026 25568 2642 1 14 . 1 1 26 26 TRP CB C 26 28.553 28.553 28.987 -0.434 25568 2643 1 14 . 1 1 26 26 TRP H H 26 7.098 7.098 7.100 -0.002 25568 2644 1 14 . 1 1 27 27 LYS N N 27 112.484 112.484 112.823 -0.339 25568 2645 1 14 . 1 1 27 27 LYS HA H 27 3.881 3.881 3.897 -0.016 25568 2646 1 14 . 1 1 27 27 LYS C C 27 173.971 173.971 174.750 -0.779 25568 2647 1 14 . 1 1 27 27 LYS CA C 27 56.287 56.287 57.518 -1.231 25568 2648 1 14 . 1 1 27 27 LYS CB C 27 27.169 27.169 29.521 -2.352 25568 2649 1 14 . 1 1 27 27 LYS H H 27 8.001 8.001 7.850 0.151 25568 2650 1 14 . 1 1 28 28 TRP N N 28 110.998 110.998 113.883 -2.885 25568 2651 1 14 . 1 1 28 28 TRP HA H 28 5.581 5.581 5.014 0.567 25568 2652 1 14 . 1 1 28 28 TRP C C 28 175.710 175.710 174.968 0.742 25568 2653 1 14 . 1 1 28 28 TRP CA C 28 55.284 55.284 55.320 -0.036 25568 2654 1 14 . 1 1 28 28 TRP CB C 28 30.519 30.519 30.079 0.440 25568 2655 1 14 . 1 1 28 28 TRP H H 28 6.947 6.947 7.631 -0.684 25568 2656 1 14 . 1 1 29 29 CYS N N 29 121.176 121.176 121.667 -0.491 25568 2657 1 14 . 1 1 29 29 CYS HA H 29 5.254 5.254 5.058 0.196 25568 2658 1 14 . 1 1 29 29 CYS C C 29 173.157 173.157 175.184 -2.027 25568 2659 1 14 . 1 1 29 29 CYS CA C 29 56.596 56.596 60.540 -3.944 25568 2660 1 14 . 1 1 29 29 CYS CB C 29 41.518 41.518 26.465 15.053 25568 2661 1 14 . 1 1 29 29 CYS H H 29 9.113 9.113 8.751 0.362 25568 2662 1 14 . 1 1 30 30 VAL N N 30 117.187 117.187 119.276 -2.089 25568 2663 1 14 . 1 1 30 30 VAL HA H 30 5.139 5.139 5.096 0.043 25568 2664 1 14 . 1 1 30 30 VAL C C 30 173.269 173.269 174.913 -1.644 25568 2665 1 14 . 1 1 30 30 VAL CA C 30 59.800 59.800 59.814 -0.014 25568 2666 1 14 . 1 1 30 30 VAL CB C 30 35.909 35.909 35.384 0.525 25568 2667 1 14 . 1 1 30 30 VAL H H 30 9.923 9.923 9.049 0.875 25568 2668 1 14 . 1 1 31 31 LEU N N 31 120.354 120.354 123.985 -3.631 25568 2669 1 14 . 1 1 31 31 LEU HA H 31 4.406 4.406 4.192 0.214 25568 2670 1 14 . 1 1 31 31 LEU C C 31 176.285 176.285 177.828 -1.543 25568 2671 1 14 . 1 1 31 31 LEU CA C 31 56.668 56.668 55.237 1.431 25568 2672 1 14 . 1 1 31 31 LEU CB C 31 41.882 41.882 39.894 1.988 25568 2673 1 14 . 1 1 31 31 LEU H H 31 8.331 8.331 8.605 -0.274 25568 2674 1 14 . 1 1 32 32 ALA N N 32 124.391 124.391 130.212 -5.821 25568 2675 1 14 . 1 1 32 32 ALA HA H 32 4.201 4.201 4.277 -0.076 25568 2676 1 14 . 1 1 32 32 ALA C C 32 175.758 175.758 177.177 -1.419 25568 2677 1 14 . 1 1 32 32 ALA CA C 32 52.881 52.881 52.291 0.590 25568 2678 1 14 . 1 1 32 32 ALA CB C 32 19.229 19.229 19.375 -0.146 25568 2679 1 14 . 1 1 32 32 ALA H H 32 8.366 8.366 8.092 0.274 25568 2680 1 14 . 1 1 33 33 SER N N 33 115.562 115.562 119.922 -4.360 25568 2681 1 14 . 1 1 33 33 SER HA H 33 4.763 4.763 4.937 -0.174 25568 2682 1 14 . 1 1 33 33 SER CA C 33 56.062 56.062 56.814 -0.752 25568 2683 1 14 . 1 1 33 33 SER CB C 33 63.765 63.765 63.785 -0.020 25568 2684 1 14 . 1 1 33 33 SER H H 33 8.188 8.188 8.642 -0.454 25568 2685 1 14 . 1 1 34 34 PRO HA H 34 4.387 4.387 4.478 -0.091 25568 2686 1 14 . 1 1 34 34 PRO C C 34 173.907 173.907 176.308 -2.401 25568 2687 1 14 . 1 1 34 34 PRO CA C 34 63.667 63.667 64.245 -0.577 25568 2688 1 14 . 1 1 34 34 PRO CB C 34 31.736 31.736 32.007 -0.271 25568 2689 1 15 . 1 1 2 2 GLU N N 2 121.648 121.648 120.594 1.054 25568 2690 1 15 . 1 1 2 2 GLU HA H 2 4.501 4.501 4.544 -0.043 25568 2691 1 15 . 1 1 2 2 GLU C C 2 173.747 173.747 175.451 -1.704 25568 2692 1 15 . 1 1 2 2 GLU CA C 2 56.086 56.086 56.008 0.078 25568 2693 1 15 . 1 1 2 2 GLU CB C 2 30.592 30.592 30.360 0.231 25568 2694 1 15 . 1 1 2 2 GLU H H 2 8.802 8.802 8.509 0.293 25568 2695 1 15 . 1 1 3 3 CYS N N 3 119.267 119.267 115.492 3.775 25568 2696 1 15 . 1 1 3 3 CYS HA H 3 4.568 4.568 4.756 -0.188 25568 2697 1 15 . 1 1 3 3 CYS C C 3 171.833 171.833 174.730 -2.897 25568 2698 1 15 . 1 1 3 3 CYS CA C 3 54.337 54.337 57.438 -3.101 25568 2699 1 15 . 1 1 3 3 CYS CB C 3 41.809 41.809 29.698 12.111 25568 2700 1 15 . 1 1 3 3 CYS H H 3 8.252 8.252 8.279 -0.027 25568 2701 1 15 . 1 1 4 4 GLY N N 4 107.188 107.188 107.629 -0.441 25568 2702 1 15 . 1 1 4 4 GLY CA C 4 46.766 46.766 45.512 1.254 25568 2703 1 15 . 1 1 4 4 GLY H H 4 8.642 8.642 8.481 0.161 25568 2704 1 15 . 1 1 5 5 LYS N N 5 124.281 124.281 116.728 7.553 25568 2705 1 15 . 1 1 5 5 LYS HA H 5 3.978 3.978 4.094 -0.116 25568 2706 1 15 . 1 1 5 5 LYS C C 5 172.710 172.710 174.251 -1.541 25568 2707 1 15 . 1 1 5 5 LYS CA C 5 54.483 54.483 54.842 -0.359 25568 2708 1 15 . 1 1 5 5 LYS CB C 5 32.688 32.688 34.120 -1.432 25568 2709 1 15 . 1 1 5 5 LYS H H 5 5.250 5.250 8.014 -2.764 25568 2710 1 15 . 1 1 6 6 PHE N N 6 119.437 119.437 120.501 -1.064 25568 2711 1 15 . 1 1 6 6 PHE HA H 6 4.077 4.077 4.324 -0.247 25568 2712 1 15 . 1 1 6 6 PHE C C 6 174.609 174.609 175.843 -1.234 25568 2713 1 15 . 1 1 6 6 PHE CA C 6 59.363 59.363 59.466 -0.103 25568 2714 1 15 . 1 1 6 6 PHE CB C 6 38.968 38.968 39.357 -0.389 25568 2715 1 15 . 1 1 6 6 PHE H H 6 8.141 8.141 8.200 -0.059 25568 2716 1 15 . 1 1 7 7 MET N N 7 118.789 118.789 120.485 -1.696 25568 2717 1 15 . 1 1 7 7 MET HA H 7 2.968 2.968 2.830 0.138 25568 2718 1 15 . 1 1 7 7 MET C C 7 174.035 174.035 174.153 -0.118 25568 2719 1 15 . 1 1 7 7 MET CA C 7 58.125 58.125 56.176 1.949 25568 2720 1 15 . 1 1 7 7 MET CB C 7 29.062 29.062 29.915 -0.853 25568 2721 1 15 . 1 1 7 7 MET H H 7 9.152 9.152 8.232 0.920 25568 2722 1 15 . 1 1 8 8 TRP N N 8 122.588 122.588 120.281 2.307 25568 2723 1 15 . 1 1 8 8 TRP HA H 8 4.626 4.626 4.691 -0.065 25568 2724 1 15 . 1 1 8 8 TRP C C 8 174.497 174.497 176.163 -1.666 25568 2725 1 15 . 1 1 8 8 TRP CA C 8 57.397 57.397 54.820 2.577 25568 2726 1 15 . 1 1 8 8 TRP CB C 8 28.697 28.697 30.163 -1.466 25568 2727 1 15 . 1 1 8 8 TRP H H 8 8.796 8.796 7.466 1.330 25568 2728 1 15 . 1 1 9 9 LYS N N 9 121.982 121.982 123.750 -1.768 25568 2729 1 15 . 1 1 9 9 LYS HA H 9 4.639 4.639 4.601 0.038 25568 2730 1 15 . 1 1 9 9 LYS C C 9 173.588 173.588 176.522 -2.934 25568 2731 1 15 . 1 1 9 9 LYS CA C 9 57.251 57.251 58.190 -0.939 25568 2732 1 15 . 1 1 9 9 LYS CB C 9 32.559 32.559 32.803 -0.244 25568 2733 1 15 . 1 1 9 9 LYS H H 9 8.289 8.289 8.703 -0.414 25568 2734 1 15 . 1 1 10 10 CYS N N 10 115.637 115.637 119.167 -3.530 25568 2735 1 15 . 1 1 10 10 CYS HA H 10 5.000 5.000 4.804 0.196 25568 2736 1 15 . 1 1 10 10 CYS C C 10 170.732 170.732 173.804 -3.072 25568 2737 1 15 . 1 1 10 10 CYS CA C 10 53.609 53.609 57.434 -3.825 25568 2738 1 15 . 1 1 10 10 CYS CB C 10 47.345 47.345 30.235 17.110 25568 2739 1 15 . 1 1 10 10 CYS H H 10 8.131 8.131 8.411 -0.280 25568 2740 1 15 . 1 1 11 11 LYS N N 11 119.567 119.567 120.641 -1.074 25568 2741 1 15 . 1 1 11 11 LYS HA H 11 4.429 4.429 4.369 0.060 25568 2742 1 15 . 1 1 11 11 LYS C C 11 174.737 174.737 175.951 -1.214 25568 2743 1 15 . 1 1 11 11 LYS CA C 11 57.470 57.470 57.130 0.340 25568 2744 1 15 . 1 1 11 11 LYS CB C 11 34.015 34.015 32.873 1.142 25568 2745 1 15 . 1 1 11 11 LYS H H 11 9.543 9.543 8.740 0.803 25568 2746 1 15 . 1 1 12 12 ASN N N 12 115.051 115.051 113.893 1.158 25568 2747 1 15 . 1 1 12 12 ASN HA H 12 4.723 4.723 4.809 -0.086 25568 2748 1 15 . 1 1 12 12 ASN C C 12 174.896 174.896 175.036 -0.140 25568 2749 1 15 . 1 1 12 12 ASN CA C 12 52.079 52.079 52.766 -0.687 25568 2750 1 15 . 1 1 12 12 ASN CB C 12 40.935 40.935 41.027 -0.092 25568 2751 1 15 . 1 1 12 12 ASN H H 12 8.125 8.125 7.644 0.481 25568 2752 1 15 . 1 1 13 13 SER N N 13 117.741 117.741 115.371 2.370 25568 2753 1 15 . 1 1 13 13 SER HA H 13 4.116 4.116 4.367 -0.251 25568 2754 1 15 . 1 1 13 13 SER C C 13 173.269 173.269 175.258 -1.989 25568 2755 1 15 . 1 1 13 13 SER CA C 13 63.151 63.151 59.967 3.184 25568 2756 1 15 . 1 1 13 13 SER CB C 13 62.968 62.968 63.471 -0.503 25568 2757 1 15 . 1 1 13 13 SER H H 13 9.317 9.317 8.746 0.571 25568 2758 1 15 . 1 1 14 14 ASN N N 14 119.511 119.511 119.427 0.084 25568 2759 1 15 . 1 1 14 14 ASN HA H 14 4.648 4.648 4.594 0.054 25568 2760 1 15 . 1 1 14 14 ASN C C 14 174.242 174.242 176.179 -1.937 25568 2761 1 15 . 1 1 14 14 ASN CA C 14 55.139 55.139 55.401 -0.262 25568 2762 1 15 . 1 1 14 14 ASN CB C 14 37.439 37.439 38.498 -1.059 25568 2763 1 15 . 1 1 14 14 ASN H H 14 8.579 8.579 8.195 0.384 25568 2764 1 15 . 1 1 15 15 ASP N N 15 116.823 116.823 119.447 -2.624 25568 2765 1 15 . 1 1 15 15 ASP HA H 15 4.687 4.687 4.628 0.059 25568 2766 1 15 . 1 1 15 15 ASP C C 15 175.614 175.614 176.053 -0.439 25568 2767 1 15 . 1 1 15 15 ASP CA C 15 55.721 55.721 55.844 -0.123 25568 2768 1 15 . 1 1 15 15 ASP CB C 15 42.465 42.465 41.674 0.791 25568 2769 1 15 . 1 1 15 15 ASP H H 15 7.797 7.797 7.689 0.108 25568 2770 1 15 . 1 1 16 16 CYS N N 16 118.609 118.609 117.442 1.167 25568 2771 1 15 . 1 1 16 16 CYS HA H 16 5.083 5.083 4.456 0.627 25568 2772 1 15 . 1 1 16 16 CYS C C 16 172.327 172.327 176.050 -3.723 25568 2773 1 15 . 1 1 16 16 CYS CA C 16 53.682 53.682 60.546 -6.864 25568 2774 1 15 . 1 1 16 16 CYS CB C 16 41.809 41.809 27.366 14.443 25568 2775 1 15 . 1 1 16 16 CYS H H 16 7.816 7.816 7.582 0.234 25568 2776 1 15 . 1 1 17 17 CYS N N 17 120.994 120.994 125.233 -4.239 25568 2777 1 15 . 1 1 17 17 CYS HA H 17 4.511 4.511 4.329 0.182 25568 2778 1 15 . 1 1 17 17 CYS C C 17 170.811 170.811 175.081 -4.270 25568 2779 1 15 . 1 1 17 17 CYS CA C 17 54.483 54.483 60.739 -6.256 25568 2780 1 15 . 1 1 17 17 CYS CB C 17 40.134 40.134 27.299 12.835 25568 2781 1 15 . 1 1 17 17 CYS H H 17 9.560 9.560 8.607 0.953 25568 2782 1 15 . 1 1 18 18 LYS N N 18 118.089 118.089 118.444 -0.355 25568 2783 1 15 . 1 1 18 18 LYS HA H 18 4.052 4.052 4.345 -0.293 25568 2784 1 15 . 1 1 18 18 LYS C C 18 174.322 174.322 175.090 -0.768 25568 2785 1 15 . 1 1 18 18 LYS CA C 18 58.562 58.562 56.259 2.303 25568 2786 1 15 . 1 1 18 18 LYS CB C 18 32.631 32.631 33.721 -1.090 25568 2787 1 15 . 1 1 18 18 LYS H H 18 8.004 8.004 7.501 0.503 25568 2788 1 15 . 1 1 19 19 ASP N N 19 116.375 116.375 119.716 -3.341 25568 2789 1 15 . 1 1 19 19 ASP HA H 19 4.295 4.295 4.289 0.006 25568 2790 1 15 . 1 1 19 19 ASP C C 19 172.790 172.790 174.559 -1.769 25568 2791 1 15 . 1 1 19 19 ASP CA C 19 56.741 56.741 55.286 1.455 25568 2792 1 15 . 1 1 19 19 ASP CB C 19 38.677 38.677 40.885 -2.208 25568 2793 1 15 . 1 1 19 19 ASP H H 19 8.715 8.715 8.589 0.126 25568 2794 1 15 . 1 1 20 20 LEU N N 20 120.437 120.437 116.691 3.746 25568 2795 1 15 . 1 1 20 20 LEU HA H 20 5.229 5.229 4.981 0.248 25568 2796 1 15 . 1 1 20 20 LEU C C 20 173.971 173.971 176.232 -2.261 25568 2797 1 15 . 1 1 20 20 LEU CA C 20 54.920 54.920 52.988 1.932 25568 2798 1 15 . 1 1 20 20 LEU CB C 20 44.577 44.577 45.635 -1.058 25568 2799 1 15 . 1 1 20 20 LEU H H 20 8.286 8.286 7.468 0.818 25568 2800 1 15 . 1 1 21 21 VAL N N 21 112.441 112.441 116.333 -3.892 25568 2801 1 15 . 1 1 21 21 VAL HA H 21 4.579 4.579 4.504 0.075 25568 2802 1 15 . 1 1 21 21 VAL C C 21 172.790 172.790 175.048 -2.258 25568 2803 1 15 . 1 1 21 21 VAL CA C 21 58.999 58.999 60.656 -1.657 25568 2804 1 15 . 1 1 21 21 VAL CB C 21 35.836 35.836 34.602 1.234 25568 2805 1 15 . 1 1 21 21 VAL H H 21 9.324 9.324 8.543 0.781 25568 2806 1 15 . 1 1 22 22 CYS N N 22 121.656 121.656 127.422 -5.766 25568 2807 1 15 . 1 1 22 22 CYS HA H 22 4.806 4.806 4.594 0.212 25568 2808 1 15 . 1 1 22 22 CYS C C 22 173.348 173.348 175.225 -1.877 25568 2809 1 15 . 1 1 22 22 CYS CA C 22 54.629 54.629 59.871 -5.242 25568 2810 1 15 . 1 1 22 22 CYS CB C 22 39.843 39.843 25.274 14.569 25568 2811 1 15 . 1 1 22 22 CYS H H 22 8.806 8.806 8.771 0.035 25568 2812 1 15 . 1 1 23 23 SER N N 23 124.577 124.577 124.058 0.519 25568 2813 1 15 . 1 1 23 23 SER HA H 23 4.397 4.397 4.839 -0.442 25568 2814 1 15 . 1 1 23 23 SER C C 23 175.215 175.215 174.695 0.520 25568 2815 1 15 . 1 1 23 23 SER CA C 23 58.271 58.271 57.441 0.830 25568 2816 1 15 . 1 1 23 23 SER CB C 23 63.442 63.442 65.022 -1.580 25568 2817 1 15 . 1 1 23 23 SER H H 23 8.391 8.391 8.238 0.153 25568 2818 1 15 . 1 1 24 24 SER N N 24 126.697 126.697 121.475 5.222 25568 2819 1 15 . 1 1 24 24 SER HA H 24 4.129 4.129 4.075 0.054 25568 2820 1 15 . 1 1 24 24 SER C C 24 172.950 172.950 175.654 -2.704 25568 2821 1 15 . 1 1 24 24 SER CA C 24 60.747 60.747 60.389 0.358 25568 2822 1 15 . 1 1 24 24 SER CB C 24 62.430 62.430 63.333 -0.903 25568 2823 1 15 . 1 1 24 24 SER H H 24 9.050 9.050 8.896 0.154 25568 2824 1 15 . 1 1 25 25 ARG N N 25 120.375 120.375 121.373 -0.998 25568 2825 1 15 . 1 1 25 25 ARG HA H 25 3.867 3.867 3.841 0.026 25568 2826 1 15 . 1 1 25 25 ARG C C 25 175.662 175.662 176.276 -0.614 25568 2827 1 15 . 1 1 25 25 ARG CA C 25 57.542 57.542 57.961 -0.419 25568 2828 1 15 . 1 1 25 25 ARG CB C 25 30.592 30.592 29.662 0.930 25568 2829 1 15 . 1 1 25 25 ARG H H 25 7.499 7.499 8.146 -0.647 25568 2830 1 15 . 1 1 26 26 TRP N N 26 115.667 115.667 117.247 -1.580 25568 2831 1 15 . 1 1 26 26 TRP HA H 26 4.168 4.168 4.214 -0.046 25568 2832 1 15 . 1 1 26 26 TRP C C 26 173.077 173.077 175.051 -1.974 25568 2833 1 15 . 1 1 26 26 TRP CA C 26 56.158 56.158 56.086 0.072 25568 2834 1 15 . 1 1 26 26 TRP CB C 26 28.553 28.553 29.216 -0.663 25568 2835 1 15 . 1 1 26 26 TRP H H 26 7.098 7.098 7.176 -0.078 25568 2836 1 15 . 1 1 27 27 LYS N N 27 112.484 112.484 112.973 -0.489 25568 2837 1 15 . 1 1 27 27 LYS HA H 27 3.881 3.881 3.937 -0.056 25568 2838 1 15 . 1 1 27 27 LYS C C 27 173.971 173.971 174.834 -0.863 25568 2839 1 15 . 1 1 27 27 LYS CA C 27 56.287 56.287 57.422 -1.135 25568 2840 1 15 . 1 1 27 27 LYS CB C 27 27.169 27.169 29.379 -2.210 25568 2841 1 15 . 1 1 27 27 LYS H H 27 8.001 8.001 7.897 0.104 25568 2842 1 15 . 1 1 28 28 TRP N N 28 110.998 110.998 113.828 -2.830 25568 2843 1 15 . 1 1 28 28 TRP HA H 28 5.581 5.581 5.016 0.565 25568 2844 1 15 . 1 1 28 28 TRP C C 28 175.710 175.710 174.970 0.740 25568 2845 1 15 . 1 1 28 28 TRP CA C 28 55.284 55.284 55.338 -0.054 25568 2846 1 15 . 1 1 28 28 TRP CB C 28 30.519 30.519 30.068 0.451 25568 2847 1 15 . 1 1 28 28 TRP H H 28 6.947 6.947 7.633 -0.686 25568 2848 1 15 . 1 1 29 29 CYS N N 29 121.176 121.176 122.032 -0.856 25568 2849 1 15 . 1 1 29 29 CYS HA H 29 5.254 5.254 5.101 0.153 25568 2850 1 15 . 1 1 29 29 CYS C C 29 173.157 173.157 174.951 -1.794 25568 2851 1 15 . 1 1 29 29 CYS CA C 29 56.596 56.596 60.825 -4.229 25568 2852 1 15 . 1 1 29 29 CYS CB C 29 41.518 41.518 26.478 15.040 25568 2853 1 15 . 1 1 29 29 CYS H H 29 9.113 9.113 8.788 0.325 25568 2854 1 15 . 1 1 30 30 VAL N N 30 117.187 117.187 121.067 -3.880 25568 2855 1 15 . 1 1 30 30 VAL HA H 30 5.139 5.139 5.046 0.093 25568 2856 1 15 . 1 1 30 30 VAL C C 30 173.269 173.269 174.804 -1.535 25568 2857 1 15 . 1 1 30 30 VAL CA C 30 59.800 59.800 59.374 0.426 25568 2858 1 15 . 1 1 30 30 VAL CB C 30 35.909 35.909 34.994 0.915 25568 2859 1 15 . 1 1 30 30 VAL H H 30 9.923 9.923 9.084 0.839 25568 2860 1 15 . 1 1 31 31 LEU N N 31 120.354 120.354 124.151 -3.797 25568 2861 1 15 . 1 1 31 31 LEU HA H 31 4.406 4.406 4.240 0.166 25568 2862 1 15 . 1 1 31 31 LEU C C 31 176.285 176.285 177.592 -1.307 25568 2863 1 15 . 1 1 31 31 LEU CA C 31 56.668 56.668 55.018 1.650 25568 2864 1 15 . 1 1 31 31 LEU CB C 31 41.882 41.882 39.871 2.010 25568 2865 1 15 . 1 1 31 31 LEU H H 31 8.331 8.331 8.670 -0.339 25568 2866 1 15 . 1 1 32 32 ALA N N 32 124.391 124.391 129.573 -5.182 25568 2867 1 15 . 1 1 32 32 ALA HA H 32 4.201 4.201 4.178 0.023 25568 2868 1 15 . 1 1 32 32 ALA C C 32 175.758 175.758 177.364 -1.606 25568 2869 1 15 . 1 1 32 32 ALA CA C 32 52.881 52.881 52.252 0.629 25568 2870 1 15 . 1 1 32 32 ALA CB C 32 19.229 19.229 19.480 -0.251 25568 2871 1 15 . 1 1 32 32 ALA H H 32 8.366 8.366 8.068 0.298 25568 2872 1 15 . 1 1 33 33 SER N N 33 115.562 115.562 115.845 -0.283 25568 2873 1 15 . 1 1 33 33 SER HA H 33 4.763 4.763 4.517 0.246 25568 2874 1 15 . 1 1 33 33 SER CA C 33 56.062 56.062 57.373 -1.311 25568 2875 1 15 . 1 1 33 33 SER CB C 33 63.765 63.765 63.147 0.618 25568 2876 1 15 . 1 1 33 33 SER H H 33 8.188 8.188 8.372 -0.184 25568 2877 1 15 . 1 1 34 34 PRO HA H 34 4.387 4.387 4.520 -0.133 25568 2878 1 15 . 1 1 34 34 PRO C C 34 173.907 173.907 176.332 -2.425 25568 2879 1 15 . 1 1 34 34 PRO CA C 34 63.667 63.667 64.357 -0.690 25568 2880 1 15 . 1 1 34 34 PRO CB C 34 31.736 31.736 32.223 -0.487 25568 2881 1 16 . 1 1 2 2 GLU N N 2 121.648 121.648 124.149 -2.501 25568 2882 1 16 . 1 1 2 2 GLU HA H 2 4.501 4.501 4.251 0.250 25568 2883 1 16 . 1 1 2 2 GLU C C 2 173.747 173.747 176.069 -2.322 25568 2884 1 16 . 1 1 2 2 GLU CA C 2 56.086 56.086 56.847 -0.761 25568 2885 1 16 . 1 1 2 2 GLU CB C 2 30.592 30.592 29.992 0.600 25568 2886 1 16 . 1 1 2 2 GLU H H 2 8.802 8.802 8.352 0.450 25568 2887 1 16 . 1 1 3 3 CYS N N 3 119.267 119.267 116.706 2.561 25568 2888 1 16 . 1 1 3 3 CYS HA H 3 4.568 4.568 4.785 -0.217 25568 2889 1 16 . 1 1 3 3 CYS C C 3 171.833 171.833 174.834 -3.001 25568 2890 1 16 . 1 1 3 3 CYS CA C 3 54.337 54.337 57.072 -2.735 25568 2891 1 16 . 1 1 3 3 CYS CB C 3 41.809 41.809 30.104 11.705 25568 2892 1 16 . 1 1 3 3 CYS H H 3 8.252 8.252 8.004 0.248 25568 2893 1 16 . 1 1 4 4 GLY N N 4 107.188 107.188 107.674 -0.486 25568 2894 1 16 . 1 1 4 4 GLY CA C 4 46.766 46.766 45.481 1.285 25568 2895 1 16 . 1 1 4 4 GLY H H 4 8.642 8.642 8.537 0.105 25568 2896 1 16 . 1 1 5 5 LYS N N 5 124.281 124.281 117.068 7.213 25568 2897 1 16 . 1 1 5 5 LYS HA H 5 3.978 3.978 4.080 -0.102 25568 2898 1 16 . 1 1 5 5 LYS C C 5 172.710 172.710 174.246 -1.536 25568 2899 1 16 . 1 1 5 5 LYS CA C 5 54.483 54.483 54.874 -0.391 25568 2900 1 16 . 1 1 5 5 LYS CB C 5 32.688 32.688 33.769 -1.081 25568 2901 1 16 . 1 1 5 5 LYS H H 5 5.250 5.250 7.929 -2.679 25568 2902 1 16 . 1 1 6 6 PHE N N 6 119.437 119.437 120.526 -1.089 25568 2903 1 16 . 1 1 6 6 PHE HA H 6 4.077 4.077 4.326 -0.249 25568 2904 1 16 . 1 1 6 6 PHE C C 6 174.609 174.609 175.840 -1.231 25568 2905 1 16 . 1 1 6 6 PHE CA C 6 59.363 59.363 59.472 -0.109 25568 2906 1 16 . 1 1 6 6 PHE CB C 6 38.968 38.968 39.354 -0.386 25568 2907 1 16 . 1 1 6 6 PHE H H 6 8.141 8.141 8.200 -0.059 25568 2908 1 16 . 1 1 7 7 MET N N 7 118.789 118.789 120.554 -1.765 25568 2909 1 16 . 1 1 7 7 MET HA H 7 2.968 2.968 2.840 0.128 25568 2910 1 16 . 1 1 7 7 MET C C 7 174.035 174.035 174.120 -0.085 25568 2911 1 16 . 1 1 7 7 MET CA C 7 58.125 58.125 56.189 1.936 25568 2912 1 16 . 1 1 7 7 MET CB C 7 29.062 29.062 29.963 -0.901 25568 2913 1 16 . 1 1 7 7 MET H H 7 9.152 9.152 8.248 0.904 25568 2914 1 16 . 1 1 8 8 TRP N N 8 122.588 122.588 120.312 2.276 25568 2915 1 16 . 1 1 8 8 TRP HA H 8 4.626 4.626 4.690 -0.064 25568 2916 1 16 . 1 1 8 8 TRP C C 8 174.497 174.497 176.136 -1.639 25568 2917 1 16 . 1 1 8 8 TRP CA C 8 57.397 57.397 54.819 2.578 25568 2918 1 16 . 1 1 8 8 TRP CB C 8 28.697 28.697 30.158 -1.461 25568 2919 1 16 . 1 1 8 8 TRP H H 8 8.796 8.796 7.468 1.328 25568 2920 1 16 . 1 1 9 9 LYS N N 9 121.982 121.982 123.903 -1.921 25568 2921 1 16 . 1 1 9 9 LYS HA H 9 4.639 4.639 4.588 0.051 25568 2922 1 16 . 1 1 9 9 LYS C C 9 173.588 173.588 176.595 -3.007 25568 2923 1 16 . 1 1 9 9 LYS CA C 9 57.251 57.251 58.188 -0.937 25568 2924 1 16 . 1 1 9 9 LYS CB C 9 32.559 32.559 32.800 -0.241 25568 2925 1 16 . 1 1 9 9 LYS H H 9 8.289 8.289 8.673 -0.384 25568 2926 1 16 . 1 1 10 10 CYS N N 10 115.637 115.637 118.892 -3.255 25568 2927 1 16 . 1 1 10 10 CYS HA H 10 5.000 5.000 4.899 0.101 25568 2928 1 16 . 1 1 10 10 CYS C C 10 170.732 170.732 173.782 -3.050 25568 2929 1 16 . 1 1 10 10 CYS CA C 10 53.609 53.609 57.342 -3.733 25568 2930 1 16 . 1 1 10 10 CYS CB C 10 47.345 47.345 30.098 17.247 25568 2931 1 16 . 1 1 10 10 CYS H H 10 8.131 8.131 8.530 -0.399 25568 2932 1 16 . 1 1 11 11 LYS N N 11 119.567 119.567 120.064 -0.497 25568 2933 1 16 . 1 1 11 11 LYS HA H 11 4.429 4.429 4.312 0.117 25568 2934 1 16 . 1 1 11 11 LYS C C 11 174.737 174.737 175.445 -0.708 25568 2935 1 16 . 1 1 11 11 LYS CA C 11 57.470 57.470 57.531 -0.061 25568 2936 1 16 . 1 1 11 11 LYS CB C 11 34.015 34.015 32.635 1.381 25568 2937 1 16 . 1 1 11 11 LYS H H 11 9.543 9.543 8.723 0.820 25568 2938 1 16 . 1 1 12 12 ASN N N 12 115.051 115.051 115.742 -0.691 25568 2939 1 16 . 1 1 12 12 ASN HA H 12 4.723 4.723 4.715 0.008 25568 2940 1 16 . 1 1 12 12 ASN C C 12 174.896 174.896 174.986 -0.090 25568 2941 1 16 . 1 1 12 12 ASN CA C 12 52.079 52.079 51.845 0.234 25568 2942 1 16 . 1 1 12 12 ASN CB C 12 40.935 40.935 39.622 1.313 25568 2943 1 16 . 1 1 12 12 ASN H H 12 8.125 8.125 7.592 0.533 25568 2944 1 16 . 1 1 13 13 SER N N 13 117.741 117.741 113.467 4.274 25568 2945 1 16 . 1 1 13 13 SER HA H 13 4.116 4.116 4.352 -0.236 25568 2946 1 16 . 1 1 13 13 SER C C 13 173.269 173.269 174.641 -1.372 25568 2947 1 16 . 1 1 13 13 SER CA C 13 63.151 63.151 59.819 3.332 25568 2948 1 16 . 1 1 13 13 SER CB C 13 62.968 62.968 63.322 -0.354 25568 2949 1 16 . 1 1 13 13 SER H H 13 9.317 9.317 8.674 0.643 25568 2950 1 16 . 1 1 14 14 ASN N N 14 119.511 119.511 120.005 -0.494 25568 2951 1 16 . 1 1 14 14 ASN HA H 14 4.648 4.648 4.630 0.018 25568 2952 1 16 . 1 1 14 14 ASN C C 14 174.242 174.242 176.434 -2.192 25568 2953 1 16 . 1 1 14 14 ASN CA C 14 55.139 55.139 54.768 0.371 25568 2954 1 16 . 1 1 14 14 ASN CB C 14 37.439 37.439 38.001 -0.562 25568 2955 1 16 . 1 1 14 14 ASN H H 14 8.579 8.579 8.306 0.273 25568 2956 1 16 . 1 1 15 15 ASP N N 15 116.823 116.823 119.479 -2.656 25568 2957 1 16 . 1 1 15 15 ASP HA H 15 4.687 4.687 4.642 0.045 25568 2958 1 16 . 1 1 15 15 ASP C C 15 175.614 175.614 176.079 -0.465 25568 2959 1 16 . 1 1 15 15 ASP CA C 15 55.721 55.721 55.495 0.226 25568 2960 1 16 . 1 1 15 15 ASP CB C 15 42.465 42.465 41.611 0.854 25568 2961 1 16 . 1 1 15 15 ASP H H 15 7.797 7.797 7.917 -0.120 25568 2962 1 16 . 1 1 16 16 CYS N N 16 118.609 118.609 117.554 1.055 25568 2963 1 16 . 1 1 16 16 CYS HA H 16 5.083 5.083 4.459 0.624 25568 2964 1 16 . 1 1 16 16 CYS C C 16 172.327 172.327 176.069 -3.742 25568 2965 1 16 . 1 1 16 16 CYS CA C 16 53.682 53.682 60.600 -6.918 25568 2966 1 16 . 1 1 16 16 CYS CB C 16 41.809 41.809 27.425 14.383 25568 2967 1 16 . 1 1 16 16 CYS H H 16 7.816 7.816 7.584 0.232 25568 2968 1 16 . 1 1 17 17 CYS N N 17 120.994 120.994 125.194 -4.200 25568 2969 1 16 . 1 1 17 17 CYS HA H 17 4.511 4.511 4.334 0.177 25568 2970 1 16 . 1 1 17 17 CYS C C 17 170.811 170.811 175.069 -4.258 25568 2971 1 16 . 1 1 17 17 CYS CA C 17 54.483 54.483 60.748 -6.265 25568 2972 1 16 . 1 1 17 17 CYS CB C 17 40.134 40.134 27.323 12.811 25568 2973 1 16 . 1 1 17 17 CYS H H 17 9.560 9.560 8.595 0.965 25568 2974 1 16 . 1 1 18 18 LYS N N 18 118.089 118.089 118.987 -0.898 25568 2975 1 16 . 1 1 18 18 LYS HA H 18 4.052 4.052 4.382 -0.330 25568 2976 1 16 . 1 1 18 18 LYS C C 18 174.322 174.322 175.070 -0.748 25568 2977 1 16 . 1 1 18 18 LYS CA C 18 58.562 58.562 56.207 2.355 25568 2978 1 16 . 1 1 18 18 LYS CB C 18 32.631 32.631 33.871 -1.240 25568 2979 1 16 . 1 1 18 18 LYS H H 18 8.004 8.004 7.602 0.402 25568 2980 1 16 . 1 1 19 19 ASP N N 19 116.375 116.375 119.873 -3.498 25568 2981 1 16 . 1 1 19 19 ASP HA H 19 4.295 4.295 4.376 -0.081 25568 2982 1 16 . 1 1 19 19 ASP C C 19 172.790 172.790 174.523 -1.733 25568 2983 1 16 . 1 1 19 19 ASP CA C 19 56.741 56.741 55.433 1.308 25568 2984 1 16 . 1 1 19 19 ASP CB C 19 38.677 38.677 39.955 -1.278 25568 2985 1 16 . 1 1 19 19 ASP H H 19 8.715 8.715 8.615 0.100 25568 2986 1 16 . 1 1 20 20 LEU N N 20 120.437 120.437 117.632 2.805 25568 2987 1 16 . 1 1 20 20 LEU HA H 20 5.229 5.229 5.029 0.200 25568 2988 1 16 . 1 1 20 20 LEU C C 20 173.971 173.971 176.499 -2.528 25568 2989 1 16 . 1 1 20 20 LEU CA C 20 54.920 54.920 53.011 1.909 25568 2990 1 16 . 1 1 20 20 LEU CB C 20 44.577 44.577 45.541 -0.964 25568 2991 1 16 . 1 1 20 20 LEU H H 20 8.286 8.286 7.501 0.785 25568 2992 1 16 . 1 1 21 21 VAL N N 21 112.441 112.441 115.099 -2.658 25568 2993 1 16 . 1 1 21 21 VAL HA H 21 4.579 4.579 4.548 0.031 25568 2994 1 16 . 1 1 21 21 VAL C C 21 172.790 172.790 174.785 -1.995 25568 2995 1 16 . 1 1 21 21 VAL CA C 21 58.999 58.999 60.394 -1.395 25568 2996 1 16 . 1 1 21 21 VAL CB C 21 35.836 35.836 34.481 1.355 25568 2997 1 16 . 1 1 21 21 VAL H H 21 9.324 9.324 8.586 0.738 25568 2998 1 16 . 1 1 22 22 CYS N N 22 121.656 121.656 126.670 -5.014 25568 2999 1 16 . 1 1 22 22 CYS HA H 22 4.806 4.806 4.559 0.247 25568 3000 1 16 . 1 1 22 22 CYS C C 22 173.348 173.348 175.287 -1.939 25568 3001 1 16 . 1 1 22 22 CYS CA C 22 54.629 54.629 59.849 -5.220 25568 3002 1 16 . 1 1 22 22 CYS CB C 22 39.843 39.843 25.405 14.438 25568 3003 1 16 . 1 1 22 22 CYS H H 22 8.806 8.806 8.832 -0.026 25568 3004 1 16 . 1 1 23 23 SER N N 23 124.577 124.577 123.972 0.605 25568 3005 1 16 . 1 1 23 23 SER HA H 23 4.397 4.397 4.828 -0.431 25568 3006 1 16 . 1 1 23 23 SER C C 23 175.215 175.215 174.327 0.888 25568 3007 1 16 . 1 1 23 23 SER CA C 23 58.271 58.271 57.057 1.214 25568 3008 1 16 . 1 1 23 23 SER CB C 23 63.442 63.442 65.316 -1.874 25568 3009 1 16 . 1 1 23 23 SER H H 23 8.391 8.391 8.243 0.148 25568 3010 1 16 . 1 1 24 24 SER N N 24 126.697 126.697 122.528 4.169 25568 3011 1 16 . 1 1 24 24 SER HA H 24 4.129 4.129 4.086 0.043 25568 3012 1 16 . 1 1 24 24 SER C C 24 172.950 172.950 175.347 -2.397 25568 3013 1 16 . 1 1 24 24 SER CA C 24 60.747 60.747 60.431 0.316 25568 3014 1 16 . 1 1 24 24 SER CB C 24 62.430 62.430 63.452 -1.022 25568 3015 1 16 . 1 1 24 24 SER H H 24 9.050 9.050 8.852 0.198 25568 3016 1 16 . 1 1 25 25 ARG N N 25 120.375 120.375 120.744 -0.369 25568 3017 1 16 . 1 1 25 25 ARG HA H 25 3.867 3.867 3.867 0.000 25568 3018 1 16 . 1 1 25 25 ARG C C 25 175.662 175.662 176.391 -0.729 25568 3019 1 16 . 1 1 25 25 ARG CA C 25 57.542 57.542 57.708 -0.166 25568 3020 1 16 . 1 1 25 25 ARG CB C 25 30.592 30.592 29.565 1.027 25568 3021 1 16 . 1 1 25 25 ARG H H 25 7.499 7.499 8.132 -0.633 25568 3022 1 16 . 1 1 26 26 TRP N N 26 115.667 115.667 117.609 -1.942 25568 3023 1 16 . 1 1 26 26 TRP HA H 26 4.168 4.168 4.210 -0.042 25568 3024 1 16 . 1 1 26 26 TRP C C 26 173.077 173.077 175.096 -2.019 25568 3025 1 16 . 1 1 26 26 TRP CA C 26 56.158 56.158 56.187 -0.029 25568 3026 1 16 . 1 1 26 26 TRP CB C 26 28.553 28.553 29.219 -0.666 25568 3027 1 16 . 1 1 26 26 TRP H H 26 7.098 7.098 7.191 -0.093 25568 3028 1 16 . 1 1 27 27 LYS N N 27 112.484 112.484 112.931 -0.447 25568 3029 1 16 . 1 1 27 27 LYS HA H 27 3.881 3.881 3.936 -0.055 25568 3030 1 16 . 1 1 27 27 LYS C C 27 173.971 173.971 174.832 -0.861 25568 3031 1 16 . 1 1 27 27 LYS CA C 27 56.287 56.287 57.433 -1.146 25568 3032 1 16 . 1 1 27 27 LYS CB C 27 27.169 27.169 29.410 -2.241 25568 3033 1 16 . 1 1 27 27 LYS H H 27 8.001 8.001 7.902 0.099 25568 3034 1 16 . 1 1 28 28 TRP N N 28 110.998 110.998 113.854 -2.856 25568 3035 1 16 . 1 1 28 28 TRP HA H 28 5.581 5.581 5.018 0.563 25568 3036 1 16 . 1 1 28 28 TRP C C 28 175.710 175.710 174.986 0.724 25568 3037 1 16 . 1 1 28 28 TRP CA C 28 55.284 55.284 55.310 -0.026 25568 3038 1 16 . 1 1 28 28 TRP CB C 28 30.519 30.519 30.073 0.446 25568 3039 1 16 . 1 1 28 28 TRP H H 28 6.947 6.947 7.634 -0.687 25568 3040 1 16 . 1 1 29 29 CYS N N 29 121.176 121.176 122.053 -0.877 25568 3041 1 16 . 1 1 29 29 CYS HA H 29 5.254 5.254 5.095 0.159 25568 3042 1 16 . 1 1 29 29 CYS C C 29 173.157 173.157 174.957 -1.800 25568 3043 1 16 . 1 1 29 29 CYS CA C 29 56.596 56.596 60.854 -4.258 25568 3044 1 16 . 1 1 29 29 CYS CB C 29 41.518 41.518 26.467 15.051 25568 3045 1 16 . 1 1 29 29 CYS H H 29 9.113 9.113 8.795 0.318 25568 3046 1 16 . 1 1 30 30 VAL N N 30 117.187 117.187 121.058 -3.871 25568 3047 1 16 . 1 1 30 30 VAL HA H 30 5.139 5.139 5.054 0.085 25568 3048 1 16 . 1 1 30 30 VAL C C 30 173.269 173.269 174.805 -1.536 25568 3049 1 16 . 1 1 30 30 VAL CA C 30 59.800 59.800 59.379 0.421 25568 3050 1 16 . 1 1 30 30 VAL CB C 30 35.909 35.909 35.014 0.895 25568 3051 1 16 . 1 1 30 30 VAL H H 30 9.923 9.923 9.092 0.831 25568 3052 1 16 . 1 1 31 31 LEU N N 31 120.354 120.354 124.185 -3.831 25568 3053 1 16 . 1 1 31 31 LEU HA H 31 4.406 4.406 4.185 0.221 25568 3054 1 16 . 1 1 31 31 LEU C C 31 176.285 176.285 177.423 -1.138 25568 3055 1 16 . 1 1 31 31 LEU CA C 31 56.668 56.668 54.773 1.895 25568 3056 1 16 . 1 1 31 31 LEU CB C 31 41.882 41.882 40.018 1.864 25568 3057 1 16 . 1 1 31 31 LEU H H 31 8.331 8.331 8.626 -0.295 25568 3058 1 16 . 1 1 32 32 ALA N N 32 124.391 124.391 128.945 -4.554 25568 3059 1 16 . 1 1 32 32 ALA HA H 32 4.201 4.201 4.260 -0.059 25568 3060 1 16 . 1 1 32 32 ALA C C 32 175.758 175.758 177.099 -1.341 25568 3061 1 16 . 1 1 32 32 ALA CA C 32 52.881 52.881 52.662 0.219 25568 3062 1 16 . 1 1 32 32 ALA CB C 32 19.229 19.229 19.388 -0.159 25568 3063 1 16 . 1 1 32 32 ALA H H 32 8.366 8.366 7.806 0.560 25568 3064 1 16 . 1 1 33 33 SER N N 33 115.562 115.562 120.027 -4.465 25568 3065 1 16 . 1 1 33 33 SER HA H 33 4.763 4.763 4.508 0.255 25568 3066 1 16 . 1 1 33 33 SER CA C 33 56.062 56.062 57.274 -1.212 25568 3067 1 16 . 1 1 33 33 SER CB C 33 63.765 63.765 63.691 0.073 25568 3068 1 16 . 1 1 33 33 SER H H 33 8.188 8.188 8.196 -0.008 25568 3069 1 16 . 1 1 34 34 PRO HA H 34 4.387 4.387 4.483 -0.096 25568 3070 1 16 . 1 1 34 34 PRO C C 34 173.907 173.907 176.775 -2.868 25568 3071 1 16 . 1 1 34 34 PRO CA C 34 63.667 63.667 63.839 -0.172 25568 3072 1 16 . 1 1 34 34 PRO CB C 34 31.736 31.736 31.762 -0.026 25568 3073 1 17 . 1 1 2 2 GLU N N 2 121.648 121.648 121.709 -0.061 25568 3074 1 17 . 1 1 2 2 GLU HA H 2 4.501 4.501 4.346 0.155 25568 3075 1 17 . 1 1 2 2 GLU C C 2 173.747 173.747 175.609 -1.862 25568 3076 1 17 . 1 1 2 2 GLU CA C 2 56.086 56.086 56.411 -0.325 25568 3077 1 17 . 1 1 2 2 GLU CB C 2 30.592 30.592 30.091 0.501 25568 3078 1 17 . 1 1 2 2 GLU H H 2 8.802 8.802 8.563 0.239 25568 3079 1 17 . 1 1 3 3 CYS N N 3 119.267 119.267 114.406 4.861 25568 3080 1 17 . 1 1 3 3 CYS HA H 3 4.568 4.568 5.247 -0.679 25568 3081 1 17 . 1 1 3 3 CYS C C 3 171.833 171.833 174.252 -2.419 25568 3082 1 17 . 1 1 3 3 CYS CA C 3 54.337 54.337 57.918 -3.581 25568 3083 1 17 . 1 1 3 3 CYS CB C 3 41.809 41.809 30.920 10.889 25568 3084 1 17 . 1 1 3 3 CYS H H 3 8.252 8.252 8.465 -0.213 25568 3085 1 17 . 1 1 4 4 GLY N N 4 107.188 107.188 107.691 -0.503 25568 3086 1 17 . 1 1 4 4 GLY CA C 4 46.766 46.766 45.521 1.245 25568 3087 1 17 . 1 1 4 4 GLY H H 4 8.642 8.642 8.453 0.189 25568 3088 1 17 . 1 1 5 5 LYS N N 5 124.281 124.281 116.628 7.653 25568 3089 1 17 . 1 1 5 5 LYS HA H 5 3.978 3.978 4.105 -0.127 25568 3090 1 17 . 1 1 5 5 LYS C C 5 172.710 172.710 174.258 -1.548 25568 3091 1 17 . 1 1 5 5 LYS CA C 5 54.483 54.483 54.858 -0.374 25568 3092 1 17 . 1 1 5 5 LYS CB C 5 32.688 32.688 34.269 -1.581 25568 3093 1 17 . 1 1 5 5 LYS H H 5 5.250 5.250 8.064 -2.814 25568 3094 1 17 . 1 1 6 6 PHE N N 6 119.437 119.437 120.490 -1.053 25568 3095 1 17 . 1 1 6 6 PHE HA H 6 4.077 4.077 4.327 -0.250 25568 3096 1 17 . 1 1 6 6 PHE C C 6 174.609 174.609 175.823 -1.214 25568 3097 1 17 . 1 1 6 6 PHE CA C 6 59.363 59.363 59.475 -0.112 25568 3098 1 17 . 1 1 6 6 PHE CB C 6 38.968 38.968 39.354 -0.386 25568 3099 1 17 . 1 1 6 6 PHE H H 6 8.141 8.141 8.203 -0.062 25568 3100 1 17 . 1 1 7 7 MET N N 7 118.789 118.789 119.888 -1.099 25568 3101 1 17 . 1 1 7 7 MET HA H 7 2.968 2.968 2.854 0.114 25568 3102 1 17 . 1 1 7 7 MET C C 7 174.035 174.035 173.747 0.288 25568 3103 1 17 . 1 1 7 7 MET CA C 7 58.125 58.125 56.052 2.073 25568 3104 1 17 . 1 1 7 7 MET CB C 7 29.062 29.062 29.539 -0.477 25568 3105 1 17 . 1 1 7 7 MET H H 7 9.152 9.152 8.276 0.876 25568 3106 1 17 . 1 1 8 8 TRP N N 8 122.588 122.588 120.071 2.517 25568 3107 1 17 . 1 1 8 8 TRP HA H 8 4.626 4.626 4.772 -0.146 25568 3108 1 17 . 1 1 8 8 TRP C C 8 174.497 174.497 176.139 -1.642 25568 3109 1 17 . 1 1 8 8 TRP CA C 8 57.397 57.397 54.605 2.792 25568 3110 1 17 . 1 1 8 8 TRP CB C 8 28.697 28.697 30.050 -1.353 25568 3111 1 17 . 1 1 8 8 TRP H H 8 8.796 8.796 7.437 1.359 25568 3112 1 17 . 1 1 9 9 LYS N N 9 121.982 121.982 123.854 -1.872 25568 3113 1 17 . 1 1 9 9 LYS HA H 9 4.639 4.639 4.590 0.049 25568 3114 1 17 . 1 1 9 9 LYS C C 9 173.588 173.588 176.604 -3.016 25568 3115 1 17 . 1 1 9 9 LYS CA C 9 57.251 57.251 58.200 -0.949 25568 3116 1 17 . 1 1 9 9 LYS CB C 9 32.559 32.559 32.812 -0.253 25568 3117 1 17 . 1 1 9 9 LYS H H 9 8.289 8.289 8.677 -0.388 25568 3118 1 17 . 1 1 10 10 CYS N N 10 115.637 115.637 118.947 -3.310 25568 3119 1 17 . 1 1 10 10 CYS HA H 10 5.000 5.000 4.882 0.118 25568 3120 1 17 . 1 1 10 10 CYS C C 10 170.732 170.732 174.490 -3.758 25568 3121 1 17 . 1 1 10 10 CYS CA C 10 53.609 53.609 56.506 -2.897 25568 3122 1 17 . 1 1 10 10 CYS CB C 10 47.345 47.345 30.017 17.328 25568 3123 1 17 . 1 1 10 10 CYS H H 10 8.131 8.131 8.583 -0.452 25568 3124 1 17 . 1 1 11 11 LYS N N 11 119.567 119.567 121.642 -2.075 25568 3125 1 17 . 1 1 11 11 LYS HA H 11 4.429 4.429 4.318 0.111 25568 3126 1 17 . 1 1 11 11 LYS C C 11 174.737 174.737 175.711 -0.974 25568 3127 1 17 . 1 1 11 11 LYS CA C 11 57.470 57.470 57.706 -0.236 25568 3128 1 17 . 1 1 11 11 LYS CB C 11 34.015 34.015 32.644 1.371 25568 3129 1 17 . 1 1 11 11 LYS H H 11 9.543 9.543 8.957 0.586 25568 3130 1 17 . 1 1 12 12 ASN N N 12 115.051 115.051 113.431 1.620 25568 3131 1 17 . 1 1 12 12 ASN HA H 12 4.723 4.723 4.756 -0.033 25568 3132 1 17 . 1 1 12 12 ASN C C 12 174.896 174.896 174.899 -0.003 25568 3133 1 17 . 1 1 12 12 ASN CA C 12 52.079 52.079 52.210 -0.131 25568 3134 1 17 . 1 1 12 12 ASN CB C 12 40.935 40.935 39.272 1.663 25568 3135 1 17 . 1 1 12 12 ASN H H 12 8.125 8.125 7.418 0.707 25568 3136 1 17 . 1 1 13 13 SER N N 13 117.741 117.741 113.163 4.578 25568 3137 1 17 . 1 1 13 13 SER HA H 13 4.116 4.116 4.387 -0.271 25568 3138 1 17 . 1 1 13 13 SER C C 13 173.269 173.269 174.689 -1.420 25568 3139 1 17 . 1 1 13 13 SER CA C 13 63.151 63.151 60.438 2.713 25568 3140 1 17 . 1 1 13 13 SER CB C 13 62.968 62.968 63.066 -0.099 25568 3141 1 17 . 1 1 13 13 SER H H 13 9.317 9.317 8.709 0.608 25568 3142 1 17 . 1 1 14 14 ASN N N 14 119.511 119.511 120.255 -0.744 25568 3143 1 17 . 1 1 14 14 ASN HA H 14 4.648 4.648 4.601 0.047 25568 3144 1 17 . 1 1 14 14 ASN C C 14 174.242 174.242 176.269 -2.027 25568 3145 1 17 . 1 1 14 14 ASN CA C 14 55.139 55.139 55.271 -0.132 25568 3146 1 17 . 1 1 14 14 ASN CB C 14 37.439 37.439 38.211 -0.771 25568 3147 1 17 . 1 1 14 14 ASN H H 14 8.579 8.579 8.211 0.368 25568 3148 1 17 . 1 1 15 15 ASP N N 15 116.823 116.823 119.526 -2.703 25568 3149 1 17 . 1 1 15 15 ASP HA H 15 4.687 4.687 4.630 0.057 25568 3150 1 17 . 1 1 15 15 ASP C C 15 175.614 175.614 176.120 -0.506 25568 3151 1 17 . 1 1 15 15 ASP CA C 15 55.721 55.721 55.902 -0.181 25568 3152 1 17 . 1 1 15 15 ASP CB C 15 42.465 42.465 41.633 0.832 25568 3153 1 17 . 1 1 15 15 ASP H H 15 7.797 7.797 7.965 -0.168 25568 3154 1 17 . 1 1 16 16 CYS N N 16 118.609 118.609 117.146 1.463 25568 3155 1 17 . 1 1 16 16 CYS HA H 16 5.083 5.083 4.461 0.622 25568 3156 1 17 . 1 1 16 16 CYS C C 16 172.327 172.327 176.330 -4.003 25568 3157 1 17 . 1 1 16 16 CYS CA C 16 53.682 53.682 60.436 -6.754 25568 3158 1 17 . 1 1 16 16 CYS CB C 16 41.809 41.809 27.241 14.568 25568 3159 1 17 . 1 1 16 16 CYS H H 16 7.816 7.816 7.576 0.240 25568 3160 1 17 . 1 1 17 17 CYS N N 17 120.994 120.994 125.503 -4.509 25568 3161 1 17 . 1 1 17 17 CYS HA H 17 4.511 4.511 4.344 0.167 25568 3162 1 17 . 1 1 17 17 CYS C C 17 170.811 170.811 175.134 -4.323 25568 3163 1 17 . 1 1 17 17 CYS CA C 17 54.483 54.483 60.744 -6.261 25568 3164 1 17 . 1 1 17 17 CYS CB C 17 40.134 40.134 27.163 12.971 25568 3165 1 17 . 1 1 17 17 CYS H H 17 9.560 9.560 8.589 0.971 25568 3166 1 17 . 1 1 18 18 LYS N N 18 118.089 118.089 118.437 -0.348 25568 3167 1 17 . 1 1 18 18 LYS HA H 18 4.052 4.052 4.359 -0.307 25568 3168 1 17 . 1 1 18 18 LYS C C 18 174.322 174.322 175.176 -0.854 25568 3169 1 17 . 1 1 18 18 LYS CA C 18 58.562 58.562 56.130 2.432 25568 3170 1 17 . 1 1 18 18 LYS CB C 18 32.631 32.631 33.782 -1.151 25568 3171 1 17 . 1 1 18 18 LYS H H 18 8.004 8.004 7.574 0.430 25568 3172 1 17 . 1 1 19 19 ASP N N 19 116.375 116.375 120.118 -3.743 25568 3173 1 17 . 1 1 19 19 ASP HA H 19 4.295 4.295 4.311 -0.016 25568 3174 1 17 . 1 1 19 19 ASP C C 19 172.790 172.790 174.404 -1.614 25568 3175 1 17 . 1 1 19 19 ASP CA C 19 56.741 56.741 55.370 1.371 25568 3176 1 17 . 1 1 19 19 ASP CB C 19 38.677 38.677 40.985 -2.308 25568 3177 1 17 . 1 1 19 19 ASP H H 19 8.715 8.715 8.626 0.089 25568 3178 1 17 . 1 1 20 20 LEU N N 20 120.437 120.437 117.400 3.037 25568 3179 1 17 . 1 1 20 20 LEU HA H 20 5.229 5.229 4.972 0.257 25568 3180 1 17 . 1 1 20 20 LEU C C 20 173.971 173.971 176.350 -2.379 25568 3181 1 17 . 1 1 20 20 LEU CA C 20 54.920 54.920 52.816 2.104 25568 3182 1 17 . 1 1 20 20 LEU CB C 20 44.577 44.577 45.277 -0.700 25568 3183 1 17 . 1 1 20 20 LEU H H 20 8.286 8.286 7.564 0.722 25568 3184 1 17 . 1 1 21 21 VAL N N 21 112.441 112.441 116.638 -4.197 25568 3185 1 17 . 1 1 21 21 VAL HA H 21 4.579 4.579 4.530 0.049 25568 3186 1 17 . 1 1 21 21 VAL C C 21 172.790 172.790 174.775 -1.985 25568 3187 1 17 . 1 1 21 21 VAL CA C 21 58.999 58.999 60.172 -1.173 25568 3188 1 17 . 1 1 21 21 VAL CB C 21 35.836 35.836 34.092 1.744 25568 3189 1 17 . 1 1 21 21 VAL H H 21 9.324 9.324 8.642 0.682 25568 3190 1 17 . 1 1 22 22 CYS N N 22 121.656 121.656 127.222 -5.566 25568 3191 1 17 . 1 1 22 22 CYS HA H 22 4.806 4.806 4.509 0.297 25568 3192 1 17 . 1 1 22 22 CYS C C 22 173.348 173.348 175.296 -1.948 25568 3193 1 17 . 1 1 22 22 CYS CA C 22 54.629 54.629 59.775 -5.146 25568 3194 1 17 . 1 1 22 22 CYS CB C 22 39.843 39.843 25.226 14.617 25568 3195 1 17 . 1 1 22 22 CYS H H 22 8.806 8.806 8.800 0.006 25568 3196 1 17 . 1 1 23 23 SER N N 23 124.577 124.577 124.445 0.132 25568 3197 1 17 . 1 1 23 23 SER HA H 23 4.397 4.397 4.753 -0.356 25568 3198 1 17 . 1 1 23 23 SER C C 23 175.215 175.215 174.533 0.682 25568 3199 1 17 . 1 1 23 23 SER CA C 23 58.271 58.271 57.933 0.338 25568 3200 1 17 . 1 1 23 23 SER CB C 23 63.442 63.442 64.632 -1.190 25568 3201 1 17 . 1 1 23 23 SER H H 23 8.391 8.391 8.273 0.118 25568 3202 1 17 . 1 1 24 24 SER N N 24 126.697 126.697 122.073 4.624 25568 3203 1 17 . 1 1 24 24 SER HA H 24 4.129 4.129 4.167 -0.038 25568 3204 1 17 . 1 1 24 24 SER C C 24 172.950 172.950 175.576 -2.626 25568 3205 1 17 . 1 1 24 24 SER CA C 24 60.747 60.747 60.501 0.246 25568 3206 1 17 . 1 1 24 24 SER CB C 24 62.430 62.430 63.079 -0.649 25568 3207 1 17 . 1 1 24 24 SER H H 24 9.050 9.050 8.949 0.101 25568 3208 1 17 . 1 1 25 25 ARG N N 25 120.375 120.375 120.595 -0.220 25568 3209 1 17 . 1 1 25 25 ARG HA H 25 3.867 3.867 3.912 -0.045 25568 3210 1 17 . 1 1 25 25 ARG C C 25 175.662 175.662 176.458 -0.796 25568 3211 1 17 . 1 1 25 25 ARG CA C 25 57.542 57.542 57.799 -0.257 25568 3212 1 17 . 1 1 25 25 ARG CB C 25 30.592 30.592 29.718 0.874 25568 3213 1 17 . 1 1 25 25 ARG H H 25 7.499 7.499 8.017 -0.518 25568 3214 1 17 . 1 1 26 26 TRP N N 26 115.667 115.667 117.887 -2.220 25568 3215 1 17 . 1 1 26 26 TRP HA H 26 4.168 4.168 4.205 -0.037 25568 3216 1 17 . 1 1 26 26 TRP C C 26 173.077 173.077 174.894 -1.817 25568 3217 1 17 . 1 1 26 26 TRP CA C 26 56.158 56.158 55.993 0.165 25568 3218 1 17 . 1 1 26 26 TRP CB C 26 28.553 28.553 29.033 -0.480 25568 3219 1 17 . 1 1 26 26 TRP H H 26 7.098 7.098 7.230 -0.132 25568 3220 1 17 . 1 1 27 27 LYS N N 27 112.484 112.484 112.962 -0.478 25568 3221 1 17 . 1 1 27 27 LYS HA H 27 3.881 3.881 3.935 -0.054 25568 3222 1 17 . 1 1 27 27 LYS C C 27 173.971 173.971 174.827 -0.856 25568 3223 1 17 . 1 1 27 27 LYS CA C 27 56.287 56.287 57.450 -1.163 25568 3224 1 17 . 1 1 27 27 LYS CB C 27 27.169 27.169 29.424 -2.255 25568 3225 1 17 . 1 1 27 27 LYS H H 27 8.001 8.001 7.901 0.100 25568 3226 1 17 . 1 1 28 28 TRP N N 28 110.998 110.998 113.861 -2.863 25568 3227 1 17 . 1 1 28 28 TRP HA H 28 5.581 5.581 5.015 0.566 25568 3228 1 17 . 1 1 28 28 TRP C C 28 175.710 175.710 174.988 0.722 25568 3229 1 17 . 1 1 28 28 TRP CA C 28 55.284 55.284 55.319 -0.035 25568 3230 1 17 . 1 1 28 28 TRP CB C 28 30.519 30.519 30.070 0.449 25568 3231 1 17 . 1 1 28 28 TRP H H 28 6.947 6.947 7.636 -0.689 25568 3232 1 17 . 1 1 29 29 CYS N N 29 121.176 121.176 121.704 -0.528 25568 3233 1 17 . 1 1 29 29 CYS HA H 29 5.254 5.254 5.033 0.221 25568 3234 1 17 . 1 1 29 29 CYS C C 29 173.157 173.157 175.175 -2.018 25568 3235 1 17 . 1 1 29 29 CYS CA C 29 56.596 56.596 60.579 -3.983 25568 3236 1 17 . 1 1 29 29 CYS CB C 29 41.518 41.518 26.445 15.073 25568 3237 1 17 . 1 1 29 29 CYS H H 29 9.113 9.113 8.765 0.348 25568 3238 1 17 . 1 1 30 30 VAL N N 30 117.187 117.187 119.263 -2.076 25568 3239 1 17 . 1 1 30 30 VAL HA H 30 5.139 5.139 5.102 0.037 25568 3240 1 17 . 1 1 30 30 VAL C C 30 173.269 173.269 174.895 -1.626 25568 3241 1 17 . 1 1 30 30 VAL CA C 30 59.800 59.800 59.830 -0.030 25568 3242 1 17 . 1 1 30 30 VAL CB C 30 35.909 35.909 35.404 0.505 25568 3243 1 17 . 1 1 30 30 VAL H H 30 9.923 9.923 9.105 0.818 25568 3244 1 17 . 1 1 31 31 LEU N N 31 120.354 120.354 123.923 -3.569 25568 3245 1 17 . 1 1 31 31 LEU HA H 31 4.406 4.406 4.227 0.179 25568 3246 1 17 . 1 1 31 31 LEU C C 31 176.285 176.285 177.473 -1.188 25568 3247 1 17 . 1 1 31 31 LEU CA C 31 56.668 56.668 54.885 1.783 25568 3248 1 17 . 1 1 31 31 LEU CB C 31 41.882 41.882 39.744 2.138 25568 3249 1 17 . 1 1 31 31 LEU H H 31 8.331 8.331 8.664 -0.333 25568 3250 1 17 . 1 1 32 32 ALA N N 32 124.391 124.391 129.900 -5.509 25568 3251 1 17 . 1 1 32 32 ALA HA H 32 4.201 4.201 4.303 -0.102 25568 3252 1 17 . 1 1 32 32 ALA C C 32 175.758 175.758 176.998 -1.240 25568 3253 1 17 . 1 1 32 32 ALA CA C 32 52.881 52.881 52.001 0.880 25568 3254 1 17 . 1 1 32 32 ALA CB C 32 19.229 19.229 19.526 -0.297 25568 3255 1 17 . 1 1 32 32 ALA H H 32 8.366 8.366 8.018 0.348 25568 3256 1 17 . 1 1 33 33 SER N N 33 115.562 115.562 119.280 -3.718 25568 3257 1 17 . 1 1 33 33 SER HA H 33 4.763 4.763 4.603 0.160 25568 3258 1 17 . 1 1 33 33 SER CA C 33 56.062 56.062 56.844 -0.782 25568 3259 1 17 . 1 1 33 33 SER CB C 33 63.765 63.765 63.218 0.547 25568 3260 1 17 . 1 1 33 33 SER H H 33 8.188 8.188 8.296 -0.108 25568 3261 1 17 . 1 1 34 34 PRO HA H 34 4.387 4.387 4.535 -0.148 25568 3262 1 17 . 1 1 34 34 PRO C C 34 173.907 173.907 177.143 -3.236 25568 3263 1 17 . 1 1 34 34 PRO CA C 34 63.667 63.667 64.129 -0.462 25568 3264 1 17 . 1 1 34 34 PRO CB C 34 31.736 31.736 32.050 -0.314 25568 3265 1 18 . 1 1 2 2 GLU N N 2 121.648 121.648 122.126 -0.478 25568 3266 1 18 . 1 1 2 2 GLU HA H 2 4.501 4.501 4.312 0.189 25568 3267 1 18 . 1 1 2 2 GLU C C 2 173.747 173.747 175.764 -2.017 25568 3268 1 18 . 1 1 2 2 GLU CA C 2 56.086 56.086 56.516 -0.430 25568 3269 1 18 . 1 1 2 2 GLU CB C 2 30.592 30.592 30.175 0.417 25568 3270 1 18 . 1 1 2 2 GLU H H 2 8.802 8.802 8.229 0.573 25568 3271 1 18 . 1 1 3 3 CYS N N 3 119.267 119.267 115.267 4.000 25568 3272 1 18 . 1 1 3 3 CYS HA H 3 4.568 4.568 4.702 -0.134 25568 3273 1 18 . 1 1 3 3 CYS C C 3 171.833 171.833 174.836 -3.003 25568 3274 1 18 . 1 1 3 3 CYS CA C 3 54.337 54.337 57.196 -2.859 25568 3275 1 18 . 1 1 3 3 CYS CB C 3 41.809 41.809 30.341 11.468 25568 3276 1 18 . 1 1 3 3 CYS H H 3 8.252 8.252 8.127 0.125 25568 3277 1 18 . 1 1 4 4 GLY N N 4 107.188 107.188 107.650 -0.462 25568 3278 1 18 . 1 1 4 4 GLY CA C 4 46.766 46.766 45.472 1.294 25568 3279 1 18 . 1 1 4 4 GLY H H 4 8.642 8.642 8.527 0.115 25568 3280 1 18 . 1 1 5 5 LYS N N 5 124.281 124.281 117.057 7.224 25568 3281 1 18 . 1 1 5 5 LYS HA H 5 3.978 3.978 4.075 -0.097 25568 3282 1 18 . 1 1 5 5 LYS C C 5 172.710 172.710 174.239 -1.529 25568 3283 1 18 . 1 1 5 5 LYS CA C 5 54.483 54.483 54.867 -0.384 25568 3284 1 18 . 1 1 5 5 LYS CB C 5 32.688 32.688 33.772 -1.084 25568 3285 1 18 . 1 1 5 5 LYS H H 5 5.250 5.250 7.926 -2.676 25568 3286 1 18 . 1 1 6 6 PHE N N 6 119.437 119.437 120.491 -1.054 25568 3287 1 18 . 1 1 6 6 PHE HA H 6 4.077 4.077 4.315 -0.238 25568 3288 1 18 . 1 1 6 6 PHE C C 6 174.609 174.609 175.822 -1.213 25568 3289 1 18 . 1 1 6 6 PHE CA C 6 59.363 59.363 59.453 -0.090 25568 3290 1 18 . 1 1 6 6 PHE CB C 6 38.968 38.968 39.337 -0.369 25568 3291 1 18 . 1 1 6 6 PHE H H 6 8.141 8.141 8.196 -0.055 25568 3292 1 18 . 1 1 7 7 MET N N 7 118.789 118.789 120.424 -1.635 25568 3293 1 18 . 1 1 7 7 MET HA H 7 2.968 2.968 2.824 0.144 25568 3294 1 18 . 1 1 7 7 MET C C 7 174.035 174.035 174.158 -0.123 25568 3295 1 18 . 1 1 7 7 MET CA C 7 58.125 58.125 56.173 1.952 25568 3296 1 18 . 1 1 7 7 MET CB C 7 29.062 29.062 29.869 -0.807 25568 3297 1 18 . 1 1 7 7 MET H H 7 9.152 9.152 8.242 0.910 25568 3298 1 18 . 1 1 8 8 TRP N N 8 122.588 122.588 120.278 2.310 25568 3299 1 18 . 1 1 8 8 TRP HA H 8 4.626 4.626 4.688 -0.062 25568 3300 1 18 . 1 1 8 8 TRP C C 8 174.497 174.497 176.170 -1.673 25568 3301 1 18 . 1 1 8 8 TRP CA C 8 57.397 57.397 54.817 2.580 25568 3302 1 18 . 1 1 8 8 TRP CB C 8 28.697 28.697 30.154 -1.456 25568 3303 1 18 . 1 1 8 8 TRP H H 8 8.796 8.796 7.462 1.334 25568 3304 1 18 . 1 1 9 9 LYS N N 9 121.982 121.982 123.890 -1.908 25568 3305 1 18 . 1 1 9 9 LYS HA H 9 4.639 4.639 4.588 0.051 25568 3306 1 18 . 1 1 9 9 LYS C C 9 173.588 173.588 176.602 -3.014 25568 3307 1 18 . 1 1 9 9 LYS CA C 9 57.251 57.251 58.180 -0.929 25568 3308 1 18 . 1 1 9 9 LYS CB C 9 32.559 32.559 32.809 -0.249 25568 3309 1 18 . 1 1 9 9 LYS H H 9 8.289 8.289 8.672 -0.383 25568 3310 1 18 . 1 1 10 10 CYS N N 10 115.637 115.637 119.560 -3.923 25568 3311 1 18 . 1 1 10 10 CYS HA H 10 5.000 5.000 4.921 0.079 25568 3312 1 18 . 1 1 10 10 CYS C C 10 170.732 170.732 174.353 -3.621 25568 3313 1 18 . 1 1 10 10 CYS CA C 10 53.609 53.609 56.754 -3.145 25568 3314 1 18 . 1 1 10 10 CYS CB C 10 47.345 47.345 30.592 16.753 25568 3315 1 18 . 1 1 10 10 CYS H H 10 8.131 8.131 8.526 -0.395 25568 3316 1 18 . 1 1 11 11 LYS N N 11 119.567 119.567 121.297 -1.730 25568 3317 1 18 . 1 1 11 11 LYS HA H 11 4.429 4.429 4.227 0.202 25568 3318 1 18 . 1 1 11 11 LYS C C 11 174.737 174.737 175.510 -0.773 25568 3319 1 18 . 1 1 11 11 LYS CA C 11 57.470 57.470 57.947 -0.477 25568 3320 1 18 . 1 1 11 11 LYS CB C 11 34.015 34.015 32.882 1.133 25568 3321 1 18 . 1 1 11 11 LYS H H 11 9.543 9.543 9.046 0.497 25568 3322 1 18 . 1 1 12 12 ASN N N 12 115.051 115.051 115.732 -0.681 25568 3323 1 18 . 1 1 12 12 ASN HA H 12 4.723 4.723 4.719 0.004 25568 3324 1 18 . 1 1 12 12 ASN C C 12 174.896 174.896 174.907 -0.011 25568 3325 1 18 . 1 1 12 12 ASN CA C 12 52.079 52.079 51.944 0.135 25568 3326 1 18 . 1 1 12 12 ASN CB C 12 40.935 40.935 39.416 1.519 25568 3327 1 18 . 1 1 12 12 ASN H H 12 8.125 8.125 7.577 0.548 25568 3328 1 18 . 1 1 13 13 SER N N 13 117.741 117.741 113.612 4.129 25568 3329 1 18 . 1 1 13 13 SER HA H 13 4.116 4.116 4.287 -0.171 25568 3330 1 18 . 1 1 13 13 SER C C 13 173.269 173.269 175.074 -1.805 25568 3331 1 18 . 1 1 13 13 SER CA C 13 63.151 63.151 59.113 4.038 25568 3332 1 18 . 1 1 13 13 SER CB C 13 62.968 62.968 63.473 -0.505 25568 3333 1 18 . 1 1 13 13 SER H H 13 9.317 9.317 8.584 0.733 25568 3334 1 18 . 1 1 14 14 ASN N N 14 119.511 119.511 119.706 -0.195 25568 3335 1 18 . 1 1 14 14 ASN HA H 14 4.648 4.648 4.592 0.056 25568 3336 1 18 . 1 1 14 14 ASN C C 14 174.242 174.242 176.202 -1.960 25568 3337 1 18 . 1 1 14 14 ASN CA C 14 55.139 55.139 55.339 -0.200 25568 3338 1 18 . 1 1 14 14 ASN CB C 14 37.439 37.439 38.431 -0.992 25568 3339 1 18 . 1 1 14 14 ASN H H 14 8.579 8.579 8.267 0.312 25568 3340 1 18 . 1 1 15 15 ASP N N 15 116.823 116.823 119.157 -2.334 25568 3341 1 18 . 1 1 15 15 ASP HA H 15 4.687 4.687 4.627 0.060 25568 3342 1 18 . 1 1 15 15 ASP C C 15 175.614 175.614 176.084 -0.470 25568 3343 1 18 . 1 1 15 15 ASP CA C 15 55.721 55.721 55.619 0.102 25568 3344 1 18 . 1 1 15 15 ASP CB C 15 42.465 42.465 41.573 0.892 25568 3345 1 18 . 1 1 15 15 ASP H H 15 7.797 7.797 7.887 -0.090 25568 3346 1 18 . 1 1 16 16 CYS N N 16 118.609 118.609 118.012 0.597 25568 3347 1 18 . 1 1 16 16 CYS HA H 16 5.083 5.083 4.417 0.666 25568 3348 1 18 . 1 1 16 16 CYS C C 16 172.327 172.327 175.984 -3.657 25568 3349 1 18 . 1 1 16 16 CYS CA C 16 53.682 53.682 60.336 -6.654 25568 3350 1 18 . 1 1 16 16 CYS CB C 16 41.809 41.809 27.391 14.418 25568 3351 1 18 . 1 1 16 16 CYS H H 16 7.816 7.816 7.619 0.197 25568 3352 1 18 . 1 1 17 17 CYS N N 17 120.994 120.994 125.240 -4.246 25568 3353 1 18 . 1 1 17 17 CYS HA H 17 4.511 4.511 4.327 0.184 25568 3354 1 18 . 1 1 17 17 CYS C C 17 170.811 170.811 175.080 -4.269 25568 3355 1 18 . 1 1 17 17 CYS CA C 17 54.483 54.483 60.739 -6.256 25568 3356 1 18 . 1 1 17 17 CYS CB C 17 40.134 40.134 27.310 12.824 25568 3357 1 18 . 1 1 17 17 CYS H H 17 9.560 9.560 8.597 0.963 25568 3358 1 18 . 1 1 18 18 LYS N N 18 118.089 118.089 118.495 -0.406 25568 3359 1 18 . 1 1 18 18 LYS HA H 18 4.052 4.052 4.338 -0.286 25568 3360 1 18 . 1 1 18 18 LYS C C 18 174.322 174.322 175.099 -0.777 25568 3361 1 18 . 1 1 18 18 LYS CA C 18 58.562 58.562 56.198 2.364 25568 3362 1 18 . 1 1 18 18 LYS CB C 18 32.631 32.631 33.687 -1.056 25568 3363 1 18 . 1 1 18 18 LYS H H 18 8.004 8.004 7.511 0.493 25568 3364 1 18 . 1 1 19 19 ASP N N 19 116.375 116.375 121.870 -5.495 25568 3365 1 18 . 1 1 19 19 ASP HA H 19 4.295 4.295 4.377 -0.082 25568 3366 1 18 . 1 1 19 19 ASP C C 19 172.790 172.790 174.181 -1.391 25568 3367 1 18 . 1 1 19 19 ASP CA C 19 56.741 56.741 55.267 1.474 25568 3368 1 18 . 1 1 19 19 ASP CB C 19 38.677 38.677 40.707 -2.030 25568 3369 1 18 . 1 1 19 19 ASP H H 19 8.715 8.715 8.611 0.104 25568 3370 1 18 . 1 1 20 20 LEU N N 20 120.437 120.437 117.307 3.130 25568 3371 1 18 . 1 1 20 20 LEU HA H 20 5.229 5.229 4.943 0.286 25568 3372 1 18 . 1 1 20 20 LEU C C 20 173.971 173.971 176.193 -2.222 25568 3373 1 18 . 1 1 20 20 LEU CA C 20 54.920 54.920 52.810 2.110 25568 3374 1 18 . 1 1 20 20 LEU CB C 20 44.577 44.577 45.550 -0.973 25568 3375 1 18 . 1 1 20 20 LEU H H 20 8.286 8.286 7.491 0.795 25568 3376 1 18 . 1 1 21 21 VAL N N 21 112.441 112.441 116.328 -3.887 25568 3377 1 18 . 1 1 21 21 VAL HA H 21 4.579 4.579 4.496 0.083 25568 3378 1 18 . 1 1 21 21 VAL C C 21 172.790 172.790 174.779 -1.989 25568 3379 1 18 . 1 1 21 21 VAL CA C 21 58.999 58.999 60.146 -1.147 25568 3380 1 18 . 1 1 21 21 VAL CB C 21 35.836 35.836 33.914 1.922 25568 3381 1 18 . 1 1 21 21 VAL H H 21 9.324 9.324 8.604 0.720 25568 3382 1 18 . 1 1 22 22 CYS N N 22 121.656 121.656 126.750 -5.094 25568 3383 1 18 . 1 1 22 22 CYS HA H 22 4.806 4.806 4.517 0.289 25568 3384 1 18 . 1 1 22 22 CYS C C 22 173.348 173.348 175.359 -2.011 25568 3385 1 18 . 1 1 22 22 CYS CA C 22 54.629 54.629 59.843 -5.213 25568 3386 1 18 . 1 1 22 22 CYS CB C 22 39.843 39.843 25.279 14.564 25568 3387 1 18 . 1 1 22 22 CYS H H 22 8.806 8.806 8.761 0.045 25568 3388 1 18 . 1 1 23 23 SER N N 23 124.577 124.577 124.283 0.294 25568 3389 1 18 . 1 1 23 23 SER HA H 23 4.397 4.397 4.753 -0.356 25568 3390 1 18 . 1 1 23 23 SER C C 23 175.215 175.215 174.017 1.198 25568 3391 1 18 . 1 1 23 23 SER CA C 23 58.271 58.271 57.372 0.899 25568 3392 1 18 . 1 1 23 23 SER CB C 23 63.442 63.442 65.057 -1.615 25568 3393 1 18 . 1 1 23 23 SER H H 23 8.391 8.391 8.285 0.106 25568 3394 1 18 . 1 1 24 24 SER N N 24 126.697 126.697 122.519 4.178 25568 3395 1 18 . 1 1 24 24 SER HA H 24 4.129 4.129 4.090 0.039 25568 3396 1 18 . 1 1 24 24 SER C C 24 172.950 172.950 175.128 -2.178 25568 3397 1 18 . 1 1 24 24 SER CA C 24 60.747 60.747 60.097 0.650 25568 3398 1 18 . 1 1 24 24 SER CB C 24 62.430 62.430 63.191 -0.761 25568 3399 1 18 . 1 1 24 24 SER H H 24 9.050 9.050 8.903 0.147 25568 3400 1 18 . 1 1 25 25 ARG N N 25 120.375 120.375 119.862 0.513 25568 3401 1 18 . 1 1 25 25 ARG HA H 25 3.867 3.867 3.909 -0.042 25568 3402 1 18 . 1 1 25 25 ARG C C 25 175.662 175.662 176.591 -0.929 25568 3403 1 18 . 1 1 25 25 ARG CA C 25 57.542 57.542 57.807 -0.265 25568 3404 1 18 . 1 1 25 25 ARG CB C 25 30.592 30.592 29.657 0.935 25568 3405 1 18 . 1 1 25 25 ARG H H 25 7.499 7.499 8.121 -0.622 25568 3406 1 18 . 1 1 26 26 TRP N N 26 115.667 115.667 117.479 -1.812 25568 3407 1 18 . 1 1 26 26 TRP HA H 26 4.168 4.168 4.196 -0.028 25568 3408 1 18 . 1 1 26 26 TRP C C 26 173.077 173.077 175.136 -2.059 25568 3409 1 18 . 1 1 26 26 TRP CA C 26 56.158 56.158 56.174 -0.016 25568 3410 1 18 . 1 1 26 26 TRP CB C 26 28.553 28.553 29.146 -0.593 25568 3411 1 18 . 1 1 26 26 TRP H H 26 7.098 7.098 7.182 -0.084 25568 3412 1 18 . 1 1 27 27 LYS N N 27 112.484 112.484 112.959 -0.475 25568 3413 1 18 . 1 1 27 27 LYS HA H 27 3.881 3.881 3.897 -0.016 25568 3414 1 18 . 1 1 27 27 LYS C C 27 173.971 173.971 174.775 -0.804 25568 3415 1 18 . 1 1 27 27 LYS CA C 27 56.287 56.287 57.362 -1.075 25568 3416 1 18 . 1 1 27 27 LYS CB C 27 27.169 27.169 29.387 -2.218 25568 3417 1 18 . 1 1 27 27 LYS H H 27 8.001 8.001 7.862 0.139 25568 3418 1 18 . 1 1 28 28 TRP N N 28 110.998 110.998 113.849 -2.851 25568 3419 1 18 . 1 1 28 28 TRP HA H 28 5.581 5.581 5.011 0.570 25568 3420 1 18 . 1 1 28 28 TRP C C 28 175.710 175.710 174.971 0.739 25568 3421 1 18 . 1 1 28 28 TRP CA C 28 55.284 55.284 55.313 -0.029 25568 3422 1 18 . 1 1 28 28 TRP CB C 28 30.519 30.519 30.070 0.449 25568 3423 1 18 . 1 1 28 28 TRP H H 28 6.947 6.947 7.630 -0.683 25568 3424 1 18 . 1 1 29 29 CYS N N 29 121.176 121.176 121.685 -0.509 25568 3425 1 18 . 1 1 29 29 CYS HA H 29 5.254 5.254 5.063 0.191 25568 3426 1 18 . 1 1 29 29 CYS C C 29 173.157 173.157 175.188 -2.031 25568 3427 1 18 . 1 1 29 29 CYS CA C 29 56.596 56.596 60.535 -3.939 25568 3428 1 18 . 1 1 29 29 CYS CB C 29 41.518 41.518 26.442 15.076 25568 3429 1 18 . 1 1 29 29 CYS H H 29 9.113 9.113 8.746 0.367 25568 3430 1 18 . 1 1 30 30 VAL N N 30 117.187 117.187 119.273 -2.086 25568 3431 1 18 . 1 1 30 30 VAL HA H 30 5.139 5.139 5.081 0.058 25568 3432 1 18 . 1 1 30 30 VAL C C 30 173.269 173.269 174.856 -1.587 25568 3433 1 18 . 1 1 30 30 VAL CA C 30 59.800 59.800 59.788 0.013 25568 3434 1 18 . 1 1 30 30 VAL CB C 30 35.909 35.909 35.358 0.551 25568 3435 1 18 . 1 1 30 30 VAL H H 30 9.923 9.923 9.076 0.847 25568 3436 1 18 . 1 1 31 31 LEU N N 31 120.354 120.354 123.634 -3.280 25568 3437 1 18 . 1 1 31 31 LEU HA H 31 4.406 4.406 4.230 0.176 25568 3438 1 18 . 1 1 31 31 LEU C C 31 176.285 176.285 177.360 -1.075 25568 3439 1 18 . 1 1 31 31 LEU CA C 31 56.668 56.668 55.040 1.628 25568 3440 1 18 . 1 1 31 31 LEU CB C 31 41.882 41.882 39.937 1.945 25568 3441 1 18 . 1 1 31 31 LEU H H 31 8.331 8.331 8.747 -0.416 25568 3442 1 18 . 1 1 32 32 ALA N N 32 124.391 124.391 129.978 -5.587 25568 3443 1 18 . 1 1 32 32 ALA HA H 32 4.201 4.201 4.123 0.078 25568 3444 1 18 . 1 1 32 32 ALA C C 32 175.758 175.758 177.168 -1.410 25568 3445 1 18 . 1 1 32 32 ALA CA C 32 52.881 52.881 52.346 0.535 25568 3446 1 18 . 1 1 32 32 ALA CB C 32 19.229 19.229 19.182 0.047 25568 3447 1 18 . 1 1 32 32 ALA H H 32 8.366 8.366 8.187 0.179 25568 3448 1 18 . 1 1 33 33 SER N N 33 115.562 115.562 117.116 -1.554 25568 3449 1 18 . 1 1 33 33 SER HA H 33 4.763 4.763 4.716 0.047 25568 3450 1 18 . 1 1 33 33 SER CA C 33 56.062 56.062 56.727 -0.665 25568 3451 1 18 . 1 1 33 33 SER CB C 33 63.765 63.765 63.332 0.433 25568 3452 1 18 . 1 1 33 33 SER H H 33 8.188 8.188 8.449 -0.261 25568 3453 1 18 . 1 1 34 34 PRO HA H 34 4.387 4.387 4.429 -0.042 25568 3454 1 18 . 1 1 34 34 PRO C C 34 173.907 173.907 176.186 -2.279 25568 3455 1 18 . 1 1 34 34 PRO CA C 34 63.667 63.667 64.116 -0.449 25568 3456 1 18 . 1 1 34 34 PRO CB C 34 31.736 31.736 31.967 -0.231 25568 3457 1 19 . 1 1 2 2 GLU N N 2 121.648 121.648 122.101 -0.453 25568 3458 1 19 . 1 1 2 2 GLU HA H 2 4.501 4.501 4.335 0.166 25568 3459 1 19 . 1 1 2 2 GLU C C 2 173.747 173.747 176.028 -2.281 25568 3460 1 19 . 1 1 2 2 GLU CA C 2 56.086 56.086 56.228 -0.142 25568 3461 1 19 . 1 1 2 2 GLU CB C 2 30.592 30.592 30.472 0.120 25568 3462 1 19 . 1 1 2 2 GLU H H 2 8.802 8.802 8.306 0.496 25568 3463 1 19 . 1 1 3 3 CYS N N 3 119.267 119.267 117.338 1.929 25568 3464 1 19 . 1 1 3 3 CYS HA H 3 4.568 4.568 4.802 -0.234 25568 3465 1 19 . 1 1 3 3 CYS C C 3 171.833 171.833 174.796 -2.963 25568 3466 1 19 . 1 1 3 3 CYS CA C 3 54.337 54.337 57.386 -3.049 25568 3467 1 19 . 1 1 3 3 CYS CB C 3 41.809 41.809 29.698 12.111 25568 3468 1 19 . 1 1 3 3 CYS H H 3 8.252 8.252 8.280 -0.028 25568 3469 1 19 . 1 1 4 4 GLY N N 4 107.188 107.188 107.679 -0.491 25568 3470 1 19 . 1 1 4 4 GLY CA C 4 46.766 46.766 45.474 1.292 25568 3471 1 19 . 1 1 4 4 GLY H H 4 8.642 8.642 8.547 0.095 25568 3472 1 19 . 1 1 5 5 LYS N N 5 124.281 124.281 117.067 7.214 25568 3473 1 19 . 1 1 5 5 LYS HA H 5 3.978 3.978 4.082 -0.104 25568 3474 1 19 . 1 1 5 5 LYS C C 5 172.710 172.710 174.247 -1.537 25568 3475 1 19 . 1 1 5 5 LYS CA C 5 54.483 54.483 54.878 -0.395 25568 3476 1 19 . 1 1 5 5 LYS CB C 5 32.688 32.688 33.776 -1.088 25568 3477 1 19 . 1 1 5 5 LYS H H 5 5.250 5.250 7.928 -2.678 25568 3478 1 19 . 1 1 6 6 PHE N N 6 119.437 119.437 120.493 -1.056 25568 3479 1 19 . 1 1 6 6 PHE HA H 6 4.077 4.077 4.324 -0.247 25568 3480 1 19 . 1 1 6 6 PHE C C 6 174.609 174.609 175.818 -1.209 25568 3481 1 19 . 1 1 6 6 PHE CA C 6 59.363 59.363 59.465 -0.102 25568 3482 1 19 . 1 1 6 6 PHE CB C 6 38.968 38.968 39.343 -0.375 25568 3483 1 19 . 1 1 6 6 PHE H H 6 8.141 8.141 8.203 -0.062 25568 3484 1 19 . 1 1 7 7 MET N N 7 118.789 118.789 120.453 -1.664 25568 3485 1 19 . 1 1 7 7 MET HA H 7 2.968 2.968 2.857 0.111 25568 3486 1 19 . 1 1 7 7 MET C C 7 174.035 174.035 174.155 -0.120 25568 3487 1 19 . 1 1 7 7 MET CA C 7 58.125 58.125 56.185 1.940 25568 3488 1 19 . 1 1 7 7 MET CB C 7 29.062 29.062 29.881 -0.819 25568 3489 1 19 . 1 1 7 7 MET H H 7 9.152 9.152 8.282 0.870 25568 3490 1 19 . 1 1 8 8 TRP N N 8 122.588 122.588 120.290 2.298 25568 3491 1 19 . 1 1 8 8 TRP HA H 8 4.626 4.626 4.689 -0.063 25568 3492 1 19 . 1 1 8 8 TRP C C 8 174.497 174.497 176.154 -1.657 25568 3493 1 19 . 1 1 8 8 TRP CA C 8 57.397 57.397 54.815 2.582 25568 3494 1 19 . 1 1 8 8 TRP CB C 8 28.697 28.697 30.175 -1.478 25568 3495 1 19 . 1 1 8 8 TRP H H 8 8.796 8.796 7.469 1.327 25568 3496 1 19 . 1 1 9 9 LYS N N 9 121.982 121.982 124.004 -2.022 25568 3497 1 19 . 1 1 9 9 LYS HA H 9 4.639 4.639 4.592 0.047 25568 3498 1 19 . 1 1 9 9 LYS C C 9 173.588 173.588 176.437 -2.849 25568 3499 1 19 . 1 1 9 9 LYS CA C 9 57.251 57.251 58.234 -0.983 25568 3500 1 19 . 1 1 9 9 LYS CB C 9 32.559 32.559 32.704 -0.145 25568 3501 1 19 . 1 1 9 9 LYS H H 9 8.289 8.289 8.632 -0.343 25568 3502 1 19 . 1 1 10 10 CYS N N 10 115.637 115.637 118.732 -3.095 25568 3503 1 19 . 1 1 10 10 CYS HA H 10 5.000 5.000 4.994 0.006 25568 3504 1 19 . 1 1 10 10 CYS C C 10 170.732 170.732 174.048 -3.316 25568 3505 1 19 . 1 1 10 10 CYS CA C 10 53.609 53.609 56.968 -3.359 25568 3506 1 19 . 1 1 10 10 CYS CB C 10 47.345 47.345 30.399 16.946 25568 3507 1 19 . 1 1 10 10 CYS H H 10 8.131 8.131 8.529 -0.398 25568 3508 1 19 . 1 1 11 11 LYS N N 11 119.567 119.567 119.536 0.031 25568 3509 1 19 . 1 1 11 11 LYS HA H 11 4.429 4.429 4.344 0.085 25568 3510 1 19 . 1 1 11 11 LYS C C 11 174.737 174.737 175.594 -0.857 25568 3511 1 19 . 1 1 11 11 LYS CA C 11 57.470 57.470 57.338 0.132 25568 3512 1 19 . 1 1 11 11 LYS CB C 11 34.015 34.015 32.744 1.271 25568 3513 1 19 . 1 1 11 11 LYS H H 11 9.543 9.543 8.725 0.818 25568 3514 1 19 . 1 1 12 12 ASN N N 12 115.051 115.051 115.952 -0.901 25568 3515 1 19 . 1 1 12 12 ASN HA H 12 4.723 4.723 4.843 -0.120 25568 3516 1 19 . 1 1 12 12 ASN C C 12 174.896 174.896 174.700 0.196 25568 3517 1 19 . 1 1 12 12 ASN CA C 12 52.079 52.079 52.598 -0.519 25568 3518 1 19 . 1 1 12 12 ASN CB C 12 40.935 40.935 40.935 -0.000 25568 3519 1 19 . 1 1 12 12 ASN H H 12 8.125 8.125 7.616 0.509 25568 3520 1 19 . 1 1 13 13 SER N N 13 117.741 117.741 115.685 2.056 25568 3521 1 19 . 1 1 13 13 SER HA H 13 4.116 4.116 4.410 -0.294 25568 3522 1 19 . 1 1 13 13 SER C C 13 173.269 173.269 174.856 -1.587 25568 3523 1 19 . 1 1 13 13 SER CA C 13 63.151 63.151 60.035 3.115 25568 3524 1 19 . 1 1 13 13 SER CB C 13 62.968 62.968 63.381 -0.413 25568 3525 1 19 . 1 1 13 13 SER H H 13 9.317 9.317 8.798 0.519 25568 3526 1 19 . 1 1 14 14 ASN N N 14 119.511 119.511 119.049 0.462 25568 3527 1 19 . 1 1 14 14 ASN HA H 14 4.648 4.648 4.627 0.021 25568 3528 1 19 . 1 1 14 14 ASN C C 14 174.242 174.242 176.228 -1.986 25568 3529 1 19 . 1 1 14 14 ASN CA C 14 55.139 55.139 54.803 0.336 25568 3530 1 19 . 1 1 14 14 ASN CB C 14 37.439 37.439 38.056 -0.617 25568 3531 1 19 . 1 1 14 14 ASN H H 14 8.579 8.579 8.189 0.390 25568 3532 1 19 . 1 1 15 15 ASP N N 15 116.823 116.823 119.644 -2.821 25568 3533 1 19 . 1 1 15 15 ASP HA H 15 4.687 4.687 4.647 0.040 25568 3534 1 19 . 1 1 15 15 ASP C C 15 175.614 175.614 176.124 -0.510 25568 3535 1 19 . 1 1 15 15 ASP CA C 15 55.721 55.721 55.329 0.392 25568 3536 1 19 . 1 1 15 15 ASP CB C 15 42.465 42.465 41.612 0.853 25568 3537 1 19 . 1 1 15 15 ASP H H 15 7.797 7.797 7.752 0.045 25568 3538 1 19 . 1 1 16 16 CYS N N 16 118.609 118.609 117.538 1.071 25568 3539 1 19 . 1 1 16 16 CYS HA H 16 5.083 5.083 4.462 0.621 25568 3540 1 19 . 1 1 16 16 CYS C C 16 172.327 172.327 176.096 -3.769 25568 3541 1 19 . 1 1 16 16 CYS CA C 16 53.682 53.682 60.517 -6.835 25568 3542 1 19 . 1 1 16 16 CYS CB C 16 41.809 41.809 27.492 14.317 25568 3543 1 19 . 1 1 16 16 CYS H H 16 7.816 7.816 7.612 0.204 25568 3544 1 19 . 1 1 17 17 CYS N N 17 120.994 120.994 124.699 -3.705 25568 3545 1 19 . 1 1 17 17 CYS HA H 17 4.511 4.511 4.341 0.170 25568 3546 1 19 . 1 1 17 17 CYS C C 17 170.811 170.811 174.973 -4.162 25568 3547 1 19 . 1 1 17 17 CYS CA C 17 54.483 54.483 60.616 -6.133 25568 3548 1 19 . 1 1 17 17 CYS CB C 17 40.134 40.134 27.337 12.797 25568 3549 1 19 . 1 1 17 17 CYS H H 17 9.560 9.560 8.536 1.024 25568 3550 1 19 . 1 1 18 18 LYS N N 18 118.089 118.089 118.982 -0.893 25568 3551 1 19 . 1 1 18 18 LYS HA H 18 4.052 4.052 4.383 -0.331 25568 3552 1 19 . 1 1 18 18 LYS C C 18 174.322 174.322 175.178 -0.856 25568 3553 1 19 . 1 1 18 18 LYS CA C 18 58.562 58.562 56.261 2.301 25568 3554 1 19 . 1 1 18 18 LYS CB C 18 32.631 32.631 33.642 -1.011 25568 3555 1 19 . 1 1 18 18 LYS H H 18 8.004 8.004 7.633 0.371 25568 3556 1 19 . 1 1 19 19 ASP N N 19 116.375 116.375 120.376 -4.001 25568 3557 1 19 . 1 1 19 19 ASP HA H 19 4.295 4.295 4.402 -0.107 25568 3558 1 19 . 1 1 19 19 ASP C C 19 172.790 172.790 174.287 -1.497 25568 3559 1 19 . 1 1 19 19 ASP CA C 19 56.741 56.741 55.461 1.280 25568 3560 1 19 . 1 1 19 19 ASP CB C 19 38.677 38.677 40.591 -1.914 25568 3561 1 19 . 1 1 19 19 ASP H H 19 8.715 8.715 8.662 0.053 25568 3562 1 19 . 1 1 20 20 LEU N N 20 120.437 120.437 116.849 3.588 25568 3563 1 19 . 1 1 20 20 LEU HA H 20 5.229 5.229 4.964 0.265 25568 3564 1 19 . 1 1 20 20 LEU C C 20 173.971 173.971 176.308 -2.337 25568 3565 1 19 . 1 1 20 20 LEU CA C 20 54.920 54.920 53.001 1.919 25568 3566 1 19 . 1 1 20 20 LEU CB C 20 44.577 44.577 45.522 -0.945 25568 3567 1 19 . 1 1 20 20 LEU H H 20 8.286 8.286 7.508 0.778 25568 3568 1 19 . 1 1 21 21 VAL N N 21 112.441 112.441 116.560 -4.119 25568 3569 1 19 . 1 1 21 21 VAL HA H 21 4.579 4.579 4.543 0.036 25568 3570 1 19 . 1 1 21 21 VAL C C 21 172.790 172.790 175.115 -2.325 25568 3571 1 19 . 1 1 21 21 VAL CA C 21 58.999 58.999 60.762 -1.763 25568 3572 1 19 . 1 1 21 21 VAL CB C 21 35.836 35.836 34.801 1.034 25568 3573 1 19 . 1 1 21 21 VAL H H 21 9.324 9.324 8.543 0.781 25568 3574 1 19 . 1 1 22 22 CYS N N 22 121.656 121.656 126.948 -5.292 25568 3575 1 19 . 1 1 22 22 CYS HA H 22 4.806 4.806 4.587 0.219 25568 3576 1 19 . 1 1 22 22 CYS C C 22 173.348 173.348 175.481 -2.133 25568 3577 1 19 . 1 1 22 22 CYS CA C 22 54.629 54.629 60.091 -5.462 25568 3578 1 19 . 1 1 22 22 CYS CB C 22 39.843 39.843 25.314 14.529 25568 3579 1 19 . 1 1 22 22 CYS H H 22 8.806 8.806 8.829 -0.023 25568 3580 1 19 . 1 1 23 23 SER N N 23 124.577 124.577 124.171 0.406 25568 3581 1 19 . 1 1 23 23 SER HA H 23 4.397 4.397 4.816 -0.419 25568 3582 1 19 . 1 1 23 23 SER C C 23 175.215 175.215 174.165 1.050 25568 3583 1 19 . 1 1 23 23 SER CA C 23 58.271 58.271 57.430 0.841 25568 3584 1 19 . 1 1 23 23 SER CB C 23 63.442 63.442 65.023 -1.581 25568 3585 1 19 . 1 1 23 23 SER H H 23 8.391 8.391 8.277 0.114 25568 3586 1 19 . 1 1 24 24 SER N N 24 126.697 126.697 122.455 4.242 25568 3587 1 19 . 1 1 24 24 SER HA H 24 4.129 4.129 4.052 0.077 25568 3588 1 19 . 1 1 24 24 SER C C 24 172.950 172.950 175.388 -2.438 25568 3589 1 19 . 1 1 24 24 SER CA C 24 60.747 60.747 60.914 -0.167 25568 3590 1 19 . 1 1 24 24 SER CB C 24 62.430 62.430 63.171 -0.741 25568 3591 1 19 . 1 1 24 24 SER H H 24 9.050 9.050 8.880 0.170 25568 3592 1 19 . 1 1 25 25 ARG N N 25 120.375 120.375 121.356 -0.981 25568 3593 1 19 . 1 1 25 25 ARG HA H 25 3.867 3.867 3.847 0.020 25568 3594 1 19 . 1 1 25 25 ARG C C 25 175.662 175.662 176.396 -0.734 25568 3595 1 19 . 1 1 25 25 ARG CA C 25 57.542 57.542 58.087 -0.545 25568 3596 1 19 . 1 1 25 25 ARG CB C 25 30.592 30.592 29.735 0.857 25568 3597 1 19 . 1 1 25 25 ARG H H 25 7.499 7.499 8.229 -0.730 25568 3598 1 19 . 1 1 26 26 TRP N N 26 115.667 115.667 117.080 -1.413 25568 3599 1 19 . 1 1 26 26 TRP HA H 26 4.168 4.168 4.205 -0.037 25568 3600 1 19 . 1 1 26 26 TRP C C 26 173.077 173.077 175.082 -2.005 25568 3601 1 19 . 1 1 26 26 TRP CA C 26 56.158 56.158 56.067 0.091 25568 3602 1 19 . 1 1 26 26 TRP CB C 26 28.553 28.553 29.264 -0.711 25568 3603 1 19 . 1 1 26 26 TRP H H 26 7.098 7.098 7.163 -0.065 25568 3604 1 19 . 1 1 27 27 LYS N N 27 112.484 112.484 113.031 -0.547 25568 3605 1 19 . 1 1 27 27 LYS HA H 27 3.881 3.881 3.942 -0.061 25568 3606 1 19 . 1 1 27 27 LYS C C 27 173.971 173.971 174.835 -0.864 25568 3607 1 19 . 1 1 27 27 LYS CA C 27 56.287 56.287 57.422 -1.135 25568 3608 1 19 . 1 1 27 27 LYS CB C 27 27.169 27.169 29.383 -2.214 25568 3609 1 19 . 1 1 27 27 LYS H H 27 8.001 8.001 7.909 0.092 25568 3610 1 19 . 1 1 28 28 TRP N N 28 110.998 110.998 113.832 -2.834 25568 3611 1 19 . 1 1 28 28 TRP HA H 28 5.581 5.581 5.021 0.560 25568 3612 1 19 . 1 1 28 28 TRP C C 28 175.710 175.710 174.981 0.729 25568 3613 1 19 . 1 1 28 28 TRP CA C 28 55.284 55.284 55.320 -0.036 25568 3614 1 19 . 1 1 28 28 TRP CB C 28 30.519 30.519 30.064 0.456 25568 3615 1 19 . 1 1 28 28 TRP H H 28 6.947 6.947 7.628 -0.681 25568 3616 1 19 . 1 1 29 29 CYS N N 29 121.176 121.176 121.541 -0.365 25568 3617 1 19 . 1 1 29 29 CYS HA H 29 5.254 5.254 5.104 0.150 25568 3618 1 19 . 1 1 29 29 CYS C C 29 173.157 173.157 175.053 -1.896 25568 3619 1 19 . 1 1 29 29 CYS CA C 29 56.596 56.596 61.122 -4.526 25568 3620 1 19 . 1 1 29 29 CYS CB C 29 41.518 41.518 26.211 15.307 25568 3621 1 19 . 1 1 29 29 CYS H H 29 9.113 9.113 8.778 0.335 25568 3622 1 19 . 1 1 30 30 VAL N N 30 117.187 117.187 120.604 -3.417 25568 3623 1 19 . 1 1 30 30 VAL HA H 30 5.139 5.139 5.034 0.105 25568 3624 1 19 . 1 1 30 30 VAL C C 30 173.269 173.269 174.763 -1.494 25568 3625 1 19 . 1 1 30 30 VAL CA C 30 59.800 59.800 60.018 -0.218 25568 3626 1 19 . 1 1 30 30 VAL CB C 30 35.909 35.909 35.393 0.516 25568 3627 1 19 . 1 1 30 30 VAL H H 30 9.923 9.923 9.062 0.861 25568 3628 1 19 . 1 1 31 31 LEU N N 31 120.354 120.354 124.671 -4.317 25568 3629 1 19 . 1 1 31 31 LEU HA H 31 4.406 4.406 4.185 0.221 25568 3630 1 19 . 1 1 31 31 LEU C C 31 176.285 176.285 177.495 -1.210 25568 3631 1 19 . 1 1 31 31 LEU CA C 31 56.668 56.668 54.761 1.907 25568 3632 1 19 . 1 1 31 31 LEU CB C 31 41.882 41.882 40.054 1.828 25568 3633 1 19 . 1 1 31 31 LEU H H 31 8.331 8.331 8.590 -0.259 25568 3634 1 19 . 1 1 32 32 ALA N N 32 124.391 124.391 129.523 -5.132 25568 3635 1 19 . 1 1 32 32 ALA HA H 32 4.201 4.201 4.155 0.046 25568 3636 1 19 . 1 1 32 32 ALA C C 32 175.758 175.758 177.392 -1.634 25568 3637 1 19 . 1 1 32 32 ALA CA C 32 52.881 52.881 52.431 0.450 25568 3638 1 19 . 1 1 32 32 ALA CB C 32 19.229 19.229 19.295 -0.066 25568 3639 1 19 . 1 1 32 32 ALA H H 32 8.366 8.366 8.067 0.299 25568 3640 1 19 . 1 1 33 33 SER N N 33 115.562 115.562 118.481 -2.919 25568 3641 1 19 . 1 1 33 33 SER HA H 33 4.763 4.763 4.299 0.464 25568 3642 1 19 . 1 1 33 33 SER CA C 33 56.062 56.062 55.954 0.108 25568 3643 1 19 . 1 1 33 33 SER CB C 33 63.765 63.765 63.551 0.214 25568 3644 1 19 . 1 1 33 33 SER H H 33 8.188 8.188 8.010 0.178 25568 3645 1 19 . 1 1 34 34 PRO HA H 34 4.387 4.387 4.330 0.057 25568 3646 1 19 . 1 1 34 34 PRO C C 34 173.907 173.907 176.105 -2.198 25568 3647 1 19 . 1 1 34 34 PRO CA C 34 63.667 63.667 63.666 0.001 25568 3648 1 19 . 1 1 34 34 PRO CB C 34 31.736 31.736 31.837 -0.102 25568 3649 1 20 . 1 1 2 2 GLU N N 2 121.648 121.648 122.185 -0.537 25568 3650 1 20 . 1 1 2 2 GLU HA H 2 4.501 4.501 4.183 0.318 25568 3651 1 20 . 1 1 2 2 GLU C C 2 173.747 173.747 175.990 -2.243 25568 3652 1 20 . 1 1 2 2 GLU CA C 2 56.086 56.086 56.937 -0.851 25568 3653 1 20 . 1 1 2 2 GLU CB C 2 30.592 30.592 30.354 0.238 25568 3654 1 20 . 1 1 2 2 GLU H H 2 8.802 8.802 8.297 0.505 25568 3655 1 20 . 1 1 3 3 CYS N N 3 119.267 119.267 116.288 2.979 25568 3656 1 20 . 1 1 3 3 CYS HA H 3 4.568 4.568 5.222 -0.654 25568 3657 1 20 . 1 1 3 3 CYS C C 3 171.833 171.833 174.393 -2.560 25568 3658 1 20 . 1 1 3 3 CYS CA C 3 54.337 54.337 57.297 -2.959 25568 3659 1 20 . 1 1 3 3 CYS CB C 3 41.809 41.809 30.491 11.318 25568 3660 1 20 . 1 1 3 3 CYS H H 3 8.252 8.252 8.395 -0.142 25568 3661 1 20 . 1 1 4 4 GLY N N 4 107.188 107.188 107.667 -0.479 25568 3662 1 20 . 1 1 4 4 GLY CA C 4 46.766 46.766 45.471 1.295 25568 3663 1 20 . 1 1 4 4 GLY H H 4 8.642 8.642 8.546 0.096 25568 3664 1 20 . 1 1 5 5 LYS N N 5 124.281 124.281 117.070 7.211 25568 3665 1 20 . 1 1 5 5 LYS HA H 5 3.978 3.978 4.080 -0.102 25568 3666 1 20 . 1 1 5 5 LYS C C 5 172.710 172.710 174.247 -1.537 25568 3667 1 20 . 1 1 5 5 LYS CA C 5 54.483 54.483 54.880 -0.397 25568 3668 1 20 . 1 1 5 5 LYS CB C 5 32.688 32.688 33.766 -1.078 25568 3669 1 20 . 1 1 5 5 LYS H H 5 5.250 5.250 7.928 -2.678 25568 3670 1 20 . 1 1 6 6 PHE N N 6 119.437 119.437 120.484 -1.047 25568 3671 1 20 . 1 1 6 6 PHE HA H 6 4.077 4.077 4.325 -0.248 25568 3672 1 20 . 1 1 6 6 PHE C C 6 174.609 174.609 175.818 -1.209 25568 3673 1 20 . 1 1 6 6 PHE CA C 6 59.363 59.363 59.462 -0.100 25568 3674 1 20 . 1 1 6 6 PHE CB C 6 38.968 38.968 39.350 -0.382 25568 3675 1 20 . 1 1 6 6 PHE H H 6 8.141 8.141 8.203 -0.062 25568 3676 1 20 . 1 1 7 7 MET N N 7 118.789 118.789 120.409 -1.620 25568 3677 1 20 . 1 1 7 7 MET HA H 7 2.968 2.968 2.845 0.123 25568 3678 1 20 . 1 1 7 7 MET C C 7 174.035 174.035 174.166 -0.131 25568 3679 1 20 . 1 1 7 7 MET CA C 7 58.125 58.125 56.183 1.942 25568 3680 1 20 . 1 1 7 7 MET CB C 7 29.062 29.062 29.874 -0.812 25568 3681 1 20 . 1 1 7 7 MET H H 7 9.152 9.152 8.250 0.902 25568 3682 1 20 . 1 1 8 8 TRP N N 8 122.588 122.588 120.273 2.315 25568 3683 1 20 . 1 1 8 8 TRP HA H 8 4.626 4.626 4.692 -0.066 25568 3684 1 20 . 1 1 8 8 TRP C C 8 174.497 174.497 176.180 -1.683 25568 3685 1 20 . 1 1 8 8 TRP CA C 8 57.397 57.397 54.832 2.565 25568 3686 1 20 . 1 1 8 8 TRP CB C 8 28.697 28.697 30.173 -1.476 25568 3687 1 20 . 1 1 8 8 TRP H H 8 8.796 8.796 7.467 1.329 25568 3688 1 20 . 1 1 9 9 LYS N N 9 121.982 121.982 123.996 -2.014 25568 3689 1 20 . 1 1 9 9 LYS HA H 9 4.639 4.639 4.602 0.037 25568 3690 1 20 . 1 1 9 9 LYS C C 9 173.588 173.588 176.700 -3.112 25568 3691 1 20 . 1 1 9 9 LYS CA C 9 57.251 57.251 58.201 -0.950 25568 3692 1 20 . 1 1 9 9 LYS CB C 9 32.559 32.559 32.776 -0.218 25568 3693 1 20 . 1 1 9 9 LYS H H 9 8.289 8.289 8.639 -0.350 25568 3694 1 20 . 1 1 10 10 CYS N N 10 115.637 115.637 118.646 -3.009 25568 3695 1 20 . 1 1 10 10 CYS HA H 10 5.000 5.000 4.786 0.214 25568 3696 1 20 . 1 1 10 10 CYS C C 10 170.732 170.732 173.919 -3.187 25568 3697 1 20 . 1 1 10 10 CYS CA C 10 53.609 53.609 57.327 -3.718 25568 3698 1 20 . 1 1 10 10 CYS CB C 10 47.345 47.345 30.397 16.948 25568 3699 1 20 . 1 1 10 10 CYS H H 10 8.131 8.131 8.474 -0.343 25568 3700 1 20 . 1 1 11 11 LYS N N 11 119.567 119.567 121.007 -1.440 25568 3701 1 20 . 1 1 11 11 LYS HA H 11 4.429 4.429 4.396 0.033 25568 3702 1 20 . 1 1 11 11 LYS C C 11 174.737 174.737 176.215 -1.478 25568 3703 1 20 . 1 1 11 11 LYS CA C 11 57.470 57.470 57.125 0.345 25568 3704 1 20 . 1 1 11 11 LYS CB C 11 34.015 34.015 33.147 0.868 25568 3705 1 20 . 1 1 11 11 LYS H H 11 9.543 9.543 8.911 0.632 25568 3706 1 20 . 1 1 12 12 ASN N N 12 115.051 115.051 114.546 0.505 25568 3707 1 20 . 1 1 12 12 ASN HA H 12 4.723 4.723 4.818 -0.095 25568 3708 1 20 . 1 1 12 12 ASN C C 12 174.896 174.896 174.845 0.051 25568 3709 1 20 . 1 1 12 12 ASN CA C 12 52.079 52.079 52.932 -0.853 25568 3710 1 20 . 1 1 12 12 ASN CB C 12 40.935 40.935 41.015 -0.080 25568 3711 1 20 . 1 1 12 12 ASN H H 12 8.125 8.125 7.500 0.625 25568 3712 1 20 . 1 1 13 13 SER N N 13 117.741 117.741 115.382 2.359 25568 3713 1 20 . 1 1 13 13 SER HA H 13 4.116 4.116 4.445 -0.329 25568 3714 1 20 . 1 1 13 13 SER C C 13 173.269 173.269 175.319 -2.050 25568 3715 1 20 . 1 1 13 13 SER CA C 13 63.151 63.151 59.812 3.339 25568 3716 1 20 . 1 1 13 13 SER CB C 13 62.968 62.968 63.512 -0.544 25568 3717 1 20 . 1 1 13 13 SER H H 13 9.317 9.317 8.803 0.514 25568 3718 1 20 . 1 1 14 14 ASN N N 14 119.511 119.511 118.553 0.958 25568 3719 1 20 . 1 1 14 14 ASN HA H 14 4.648 4.648 4.628 0.020 25568 3720 1 20 . 1 1 14 14 ASN C C 14 174.242 174.242 176.247 -2.005 25568 3721 1 20 . 1 1 14 14 ASN CA C 14 55.139 55.139 54.686 0.453 25568 3722 1 20 . 1 1 14 14 ASN CB C 14 37.439 37.439 37.854 -0.415 25568 3723 1 20 . 1 1 14 14 ASN H H 14 8.579 8.579 8.279 0.300 25568 3724 1 20 . 1 1 15 15 ASP N N 15 116.823 116.823 119.316 -2.493 25568 3725 1 20 . 1 1 15 15 ASP HA H 15 4.687 4.687 4.649 0.038 25568 3726 1 20 . 1 1 15 15 ASP C C 15 175.614 175.614 175.989 -0.375 25568 3727 1 20 . 1 1 15 15 ASP CA C 15 55.721 55.721 55.600 0.121 25568 3728 1 20 . 1 1 15 15 ASP CB C 15 42.465 42.465 41.669 0.796 25568 3729 1 20 . 1 1 15 15 ASP H H 15 7.797 7.797 7.778 0.019 25568 3730 1 20 . 1 1 16 16 CYS N N 16 118.609 118.609 117.883 0.726 25568 3731 1 20 . 1 1 16 16 CYS HA H 16 5.083 5.083 4.434 0.649 25568 3732 1 20 . 1 1 16 16 CYS C C 16 172.327 172.327 175.977 -3.650 25568 3733 1 20 . 1 1 16 16 CYS CA C 16 53.682 53.682 60.313 -6.631 25568 3734 1 20 . 1 1 16 16 CYS CB C 16 41.809 41.809 27.524 14.285 25568 3735 1 20 . 1 1 16 16 CYS H H 16 7.816 7.816 7.576 0.240 25568 3736 1 20 . 1 1 17 17 CYS N N 17 120.994 120.994 125.283 -4.289 25568 3737 1 20 . 1 1 17 17 CYS HA H 17 4.511 4.511 4.337 0.174 25568 3738 1 20 . 1 1 17 17 CYS C C 17 170.811 170.811 175.066 -4.255 25568 3739 1 20 . 1 1 17 17 CYS CA C 17 54.483 54.483 60.738 -6.255 25568 3740 1 20 . 1 1 17 17 CYS CB C 17 40.134 40.134 27.332 12.802 25568 3741 1 20 . 1 1 17 17 CYS H H 17 9.560 9.560 8.602 0.958 25568 3742 1 20 . 1 1 18 18 LYS N N 18 118.089 118.089 118.636 -0.547 25568 3743 1 20 . 1 1 18 18 LYS HA H 18 4.052 4.052 4.353 -0.301 25568 3744 1 20 . 1 1 18 18 LYS C C 18 174.322 174.322 175.112 -0.790 25568 3745 1 20 . 1 1 18 18 LYS CA C 18 58.562 58.562 56.167 2.395 25568 3746 1 20 . 1 1 18 18 LYS CB C 18 32.631 32.631 33.709 -1.077 25568 3747 1 20 . 1 1 18 18 LYS H H 18 8.004 8.004 7.548 0.456 25568 3748 1 20 . 1 1 19 19 ASP N N 19 116.375 116.375 120.597 -4.222 25568 3749 1 20 . 1 1 19 19 ASP HA H 19 4.295 4.295 4.307 -0.012 25568 3750 1 20 . 1 1 19 19 ASP C C 19 172.790 172.790 174.390 -1.600 25568 3751 1 20 . 1 1 19 19 ASP CA C 19 56.741 56.741 55.180 1.561 25568 3752 1 20 . 1 1 19 19 ASP CB C 19 38.677 38.677 40.818 -2.141 25568 3753 1 20 . 1 1 19 19 ASP H H 19 8.715 8.715 8.633 0.082 25568 3754 1 20 . 1 1 20 20 LEU N N 20 120.437 120.437 117.204 3.233 25568 3755 1 20 . 1 1 20 20 LEU HA H 20 5.229 5.229 4.959 0.270 25568 3756 1 20 . 1 1 20 20 LEU C C 20 173.971 173.971 176.323 -2.352 25568 3757 1 20 . 1 1 20 20 LEU CA C 20 54.920 54.920 52.859 2.061 25568 3758 1 20 . 1 1 20 20 LEU CB C 20 44.577 44.577 45.264 -0.687 25568 3759 1 20 . 1 1 20 20 LEU H H 20 8.286 8.286 7.446 0.840 25568 3760 1 20 . 1 1 21 21 VAL N N 21 112.441 112.441 115.520 -3.079 25568 3761 1 20 . 1 1 21 21 VAL HA H 21 4.579 4.579 4.555 0.024 25568 3762 1 20 . 1 1 21 21 VAL C C 21 172.790 172.790 174.856 -2.066 25568 3763 1 20 . 1 1 21 21 VAL CA C 21 58.999 58.999 60.322 -1.323 25568 3764 1 20 . 1 1 21 21 VAL CB C 21 35.836 35.836 34.521 1.315 25568 3765 1 20 . 1 1 21 21 VAL H H 21 9.324 9.324 8.579 0.745 25568 3766 1 20 . 1 1 22 22 CYS N N 22 121.656 121.656 127.276 -5.620 25568 3767 1 20 . 1 1 22 22 CYS HA H 22 4.806 4.806 4.511 0.295 25568 3768 1 20 . 1 1 22 22 CYS C C 22 173.348 173.348 175.268 -1.920 25568 3769 1 20 . 1 1 22 22 CYS CA C 22 54.629 54.629 59.768 -5.139 25568 3770 1 20 . 1 1 22 22 CYS CB C 22 39.843 39.843 25.171 14.672 25568 3771 1 20 . 1 1 22 22 CYS H H 22 8.806 8.806 8.876 -0.070 25568 3772 1 20 . 1 1 23 23 SER N N 23 124.577 124.577 124.229 0.348 25568 3773 1 20 . 1 1 23 23 SER HA H 23 4.397 4.397 4.810 -0.413 25568 3774 1 20 . 1 1 23 23 SER C C 23 175.215 175.215 174.615 0.600 25568 3775 1 20 . 1 1 23 23 SER CA C 23 58.271 58.271 57.616 0.655 25568 3776 1 20 . 1 1 23 23 SER CB C 23 63.442 63.442 65.105 -1.663 25568 3777 1 20 . 1 1 23 23 SER H H 23 8.391 8.391 8.220 0.171 25568 3778 1 20 . 1 1 24 24 SER N N 24 126.697 126.697 122.294 4.403 25568 3779 1 20 . 1 1 24 24 SER HA H 24 4.129 4.129 4.213 -0.084 25568 3780 1 20 . 1 1 24 24 SER C C 24 172.950 172.950 175.399 -2.449 25568 3781 1 20 . 1 1 24 24 SER CA C 24 60.747 60.747 60.434 0.313 25568 3782 1 20 . 1 1 24 24 SER CB C 24 62.430 62.430 63.221 -0.791 25568 3783 1 20 . 1 1 24 24 SER H H 24 9.050 9.050 8.942 0.108 25568 3784 1 20 . 1 1 25 25 ARG N N 25 120.375 120.375 120.905 -0.530 25568 3785 1 20 . 1 1 25 25 ARG HA H 25 3.867 3.867 3.882 -0.015 25568 3786 1 20 . 1 1 25 25 ARG C C 25 175.662 175.662 176.372 -0.710 25568 3787 1 20 . 1 1 25 25 ARG CA C 25 57.542 57.542 57.597 -0.056 25568 3788 1 20 . 1 1 25 25 ARG CB C 25 30.592 30.592 29.714 0.878 25568 3789 1 20 . 1 1 25 25 ARG H H 25 7.499 7.499 7.994 -0.495 25568 3790 1 20 . 1 1 26 26 TRP N N 26 115.667 115.667 115.981 -0.314 25568 3791 1 20 . 1 1 26 26 TRP HA H 26 4.168 4.168 4.160 0.008 25568 3792 1 20 . 1 1 26 26 TRP C C 26 173.077 173.077 174.736 -1.659 25568 3793 1 20 . 1 1 26 26 TRP CA C 26 56.158 56.158 56.095 0.063 25568 3794 1 20 . 1 1 26 26 TRP CB C 26 28.553 28.553 29.448 -0.895 25568 3795 1 20 . 1 1 26 26 TRP H H 26 7.098 7.098 7.054 0.044 25568 3796 1 20 . 1 1 27 27 LYS N N 27 112.484 112.484 112.557 -0.073 25568 3797 1 20 . 1 1 27 27 LYS HA H 27 3.881 3.881 3.987 -0.106 25568 3798 1 20 . 1 1 27 27 LYS C C 27 173.971 173.971 174.826 -0.855 25568 3799 1 20 . 1 1 27 27 LYS CA C 27 56.287 56.287 56.991 -0.704 25568 3800 1 20 . 1 1 27 27 LYS CB C 27 27.169 27.169 29.851 -2.682 25568 3801 1 20 . 1 1 27 27 LYS H H 27 8.001 8.001 7.691 0.310 25568 3802 1 20 . 1 1 28 28 TRP N N 28 110.998 110.998 113.844 -2.846 25568 3803 1 20 . 1 1 28 28 TRP HA H 28 5.581 5.581 5.018 0.563 25568 3804 1 20 . 1 1 28 28 TRP C C 28 175.710 175.710 174.989 0.721 25568 3805 1 20 . 1 1 28 28 TRP CA C 28 55.284 55.284 55.302 -0.018 25568 3806 1 20 . 1 1 28 28 TRP CB C 28 30.519 30.519 30.060 0.459 25568 3807 1 20 . 1 1 28 28 TRP H H 28 6.947 6.947 7.626 -0.679 25568 3808 1 20 . 1 1 29 29 CYS N N 29 121.176 121.176 121.736 -0.560 25568 3809 1 20 . 1 1 29 29 CYS HA H 29 5.254 5.254 5.022 0.232 25568 3810 1 20 . 1 1 29 29 CYS C C 29 173.157 173.157 175.171 -2.014 25568 3811 1 20 . 1 1 29 29 CYS CA C 29 56.596 56.596 60.590 -3.994 25568 3812 1 20 . 1 1 29 29 CYS CB C 29 41.518 41.518 26.437 15.081 25568 3813 1 20 . 1 1 29 29 CYS H H 29 9.113 9.113 8.769 0.344 25568 3814 1 20 . 1 1 30 30 VAL N N 30 117.187 117.187 119.272 -2.085 25568 3815 1 20 . 1 1 30 30 VAL HA H 30 5.139 5.139 5.104 0.035 25568 3816 1 20 . 1 1 30 30 VAL C C 30 173.269 173.269 174.898 -1.629 25568 3817 1 20 . 1 1 30 30 VAL CA C 30 59.800 59.800 59.865 -0.065 25568 3818 1 20 . 1 1 30 30 VAL CB C 30 35.909 35.909 35.411 0.498 25568 3819 1 20 . 1 1 30 30 VAL H H 30 9.923 9.923 9.114 0.809 25568 3820 1 20 . 1 1 31 31 LEU N N 31 120.354 120.354 123.922 -3.568 25568 3821 1 20 . 1 1 31 31 LEU HA H 31 4.406 4.406 4.216 0.190 25568 3822 1 20 . 1 1 31 31 LEU C C 31 176.285 176.285 177.462 -1.177 25568 3823 1 20 . 1 1 31 31 LEU CA C 31 56.668 56.668 54.990 1.677 25568 3824 1 20 . 1 1 31 31 LEU CB C 31 41.882 41.882 39.711 2.171 25568 3825 1 20 . 1 1 31 31 LEU H H 31 8.331 8.331 8.666 -0.335 25568 3826 1 20 . 1 1 32 32 ALA N N 32 124.391 124.391 129.582 -5.191 25568 3827 1 20 . 1 1 32 32 ALA HA H 32 4.201 4.201 4.272 -0.071 25568 3828 1 20 . 1 1 32 32 ALA C C 32 175.758 175.758 176.953 -1.195 25568 3829 1 20 . 1 1 32 32 ALA CA C 32 52.881 52.881 52.050 0.831 25568 3830 1 20 . 1 1 32 32 ALA CB C 32 19.229 19.229 19.504 -0.275 25568 3831 1 20 . 1 1 32 32 ALA H H 32 8.366 8.366 8.084 0.282 25568 3832 1 20 . 1 1 33 33 SER N N 33 115.562 115.562 117.227 -1.665 25568 3833 1 20 . 1 1 33 33 SER HA H 33 4.763 4.763 4.527 0.236 25568 3834 1 20 . 1 1 33 33 SER CA C 33 56.062 56.062 56.998 -0.937 25568 3835 1 20 . 1 1 33 33 SER CB C 33 63.765 63.765 63.885 -0.120 25568 3836 1 20 . 1 1 33 33 SER H H 33 8.188 8.188 8.299 -0.111 25568 3837 1 20 . 1 1 34 34 PRO HA H 34 4.387 4.387 4.403 -0.016 25568 3838 1 20 . 1 1 34 34 PRO C C 34 173.907 173.907 176.282 -2.375 25568 3839 1 20 . 1 1 34 34 PRO CA C 34 63.667 63.667 63.756 -0.089 25568 3840 1 20 . 1 1 34 34 PRO CB C 34 31.736 31.736 31.825 -0.089 25568 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 32 2.933 0.832 2.858 25568 2 1 1 "Average Difference" HA 34 0.223 -0.007 0.226 25568 3 1 1 "Average Difference" C 31 2.043 1.677 1.186 25568 4 1 1 "Average Difference" CA 33 2.453 0.518 2.435 25568 5 1 1 "Average Difference" CB 32 6.343 -2.428 5.953 25568 6 1 1 "Average Difference" HN 32 0.694 -0.134 0.692 25568 7 1 2 "Average Difference" N 32 2.995 0.755 2.944 25568 8 1 2 "Average Difference" HA 34 0.220 -0.037 0.220 25568 9 1 2 "Average Difference" C 31 2.018 1.635 1.201 25568 10 1 2 "Average Difference" CA 33 2.391 0.499 2.374 25568 11 1 2 "Average Difference" CB 32 6.309 -2.514 5.879 25568 12 1 2 "Average Difference" HN 32 0.717 -0.129 0.717 25568 13 1 3 "Average Difference" N 32 2.925 0.896 2.829 25568 14 1 3 "Average Difference" HA 34 0.223 -0.019 0.226 25568 15 1 3 "Average Difference" C 31 2.117 1.756 1.203 25568 16 1 3 "Average Difference" CA 33 2.366 0.515 2.345 25568 17 1 3 "Average Difference" CB 32 6.299 -2.464 5.890 25568 18 1 3 "Average Difference" HN 32 0.694 -0.145 0.690 25568 19 1 4 "Average Difference" N 32 3.075 0.950 2.971 25568 20 1 4 "Average Difference" HA 34 0.223 -0.020 0.226 25568 21 1 4 "Average Difference" C 31 1.984 1.635 1.144 25568 22 1 4 "Average Difference" CA 33 2.447 0.486 2.435 25568 23 1 4 "Average Difference" CB 32 6.359 -2.476 5.951 25568 24 1 4 "Average Difference" HN 32 0.700 -0.150 0.695 25568 25 1 5 "Average Difference" N 32 3.127 0.707 3.094 25568 26 1 5 "Average Difference" HA 34 0.210 -0.026 0.211 25568 27 1 5 "Average Difference" C 31 2.037 1.673 1.180 25568 28 1 5 "Average Difference" CA 33 2.483 0.527 2.464 25568 29 1 5 "Average Difference" CB 32 6.352 -2.511 5.928 25568 30 1 5 "Average Difference" HN 32 0.735 -0.162 0.729 25568 31 1 6 "Average Difference" N 32 3.151 0.837 3.086 25568 32 1 6 "Average Difference" HA 34 0.216 -0.015 0.218 25568 33 1 6 "Average Difference" C 31 2.010 1.659 1.154 25568 34 1 6 "Average Difference" CA 33 2.455 0.565 2.426 25568 35 1 6 "Average Difference" CB 32 6.365 -2.541 5.929 25568 36 1 6 "Average Difference" HN 32 0.723 -0.168 0.715 25568 37 1 7 "Average Difference" N 32 3.031 0.826 2.963 25568 38 1 7 "Average Difference" HA 34 0.216 -0.031 0.217 25568 39 1 7 "Average Difference" C 31 1.984 1.596 1.198 25568 40 1 7 "Average Difference" CA 33 2.461 0.549 2.436 25568 41 1 7 "Average Difference" CB 32 6.345 -2.473 5.937 25568 42 1 7 "Average Difference" HN 32 0.725 -0.188 0.711 25568 43 1 8 "Average Difference" N 32 2.808 0.628 2.781 25568 44 1 8 "Average Difference" HA 34 0.221 -0.012 0.224 25568 45 1 8 "Average Difference" C 31 2.040 1.682 1.173 25568 46 1 8 "Average Difference" CA 33 2.458 0.482 2.447 25568 47 1 8 "Average Difference" CB 32 6.325 -2.444 5.927 25568 48 1 8 "Average Difference" HN 32 0.711 -0.153 0.705 25568 49 1 9 "Average Difference" N 32 3.095 0.776 3.044 25568 50 1 9 "Average Difference" HA 34 0.225 -0.027 0.226 25568 51 1 9 "Average Difference" C 31 1.992 1.622 1.175 25568 52 1 9 "Average Difference" CA 33 2.464 0.475 2.455 25568 53 1 9 "Average Difference" CB 32 6.351 -2.499 5.932 25568 54 1 9 "Average Difference" HN 32 0.699 -0.139 0.696 25568 55 1 10 "Average Difference" N 32 3.059 0.921 2.963 25568 56 1 10 "Average Difference" HA 34 0.217 -0.019 0.219 25568 57 1 10 "Average Difference" C 31 2.073 1.687 1.225 25568 58 1 10 "Average Difference" CA 33 2.413 0.467 2.404 25568 59 1 10 "Average Difference" CB 32 6.303 -2.476 5.889 25568 60 1 10 "Average Difference" HN 32 0.689 -0.122 0.689 25568 61 1 11 "Average Difference" N 32 3.045 0.666 3.019 25568 62 1 11 "Average Difference" HA 34 0.220 -0.025 0.222 25568 63 1 11 "Average Difference" C 31 2.043 1.688 1.170 25568 64 1 11 "Average Difference" CA 33 2.418 0.466 2.409 25568 65 1 11 "Average Difference" CB 32 6.312 -2.507 5.886 25568 66 1 11 "Average Difference" HN 32 0.702 -0.141 0.699 25568 67 1 12 "Average Difference" N 32 2.888 0.775 2.827 25568 68 1 12 "Average Difference" HA 34 0.222 -0.039 0.222 25568 69 1 12 "Average Difference" C 31 2.021 1.631 1.213 25568 70 1 12 "Average Difference" CA 33 2.482 0.589 2.448 25568 71 1 12 "Average Difference" CB 32 6.347 -2.468 5.941 25568 72 1 12 "Average Difference" HN 32 0.714 -0.168 0.705 25568 73 1 13 "Average Difference" N 32 3.044 0.708 3.008 25568 74 1 13 "Average Difference" HA 34 0.214 -0.027 0.216 25568 75 1 13 "Average Difference" C 31 2.045 1.658 1.218 25568 76 1 13 "Average Difference" CA 33 2.441 0.473 2.431 25568 77 1 13 "Average Difference" CB 32 6.346 -2.562 5.899 25568 78 1 13 "Average Difference" HN 32 0.695 -0.148 0.690 25568 79 1 14 "Average Difference" N 32 3.060 0.832 2.992 25568 80 1 14 "Average Difference" HA 34 0.220 -0.027 0.222 25568 81 1 14 "Average Difference" C 31 2.045 1.671 1.198 25568 82 1 14 "Average Difference" CA 33 2.422 0.567 2.391 25568 83 1 14 "Average Difference" CB 32 6.341 -2.529 5.908 25568 84 1 14 "Average Difference" HN 32 0.740 -0.154 0.735 25568 85 1 15 "Average Difference" N 32 3.072 0.648 3.051 25568 86 1 15 "Average Difference" HA 34 0.217 -0.028 0.218 25568 87 1 15 "Average Difference" C 31 1.999 1.657 1.136 25568 88 1 15 "Average Difference" CA 33 2.470 0.552 2.445 25568 89 1 15 "Average Difference" CB 32 6.334 -2.436 5.940 25568 90 1 15 "Average Difference" HN 32 0.718 -0.153 0.713 25568 91 1 16 "Average Difference" N 32 3.001 0.934 2.897 25568 92 1 16 "Average Difference" HA 34 0.220 -0.031 0.221 25568 93 1 16 "Average Difference" C 31 2.015 1.636 1.196 25568 94 1 16 "Average Difference" CA 33 2.462 0.483 2.451 25568 95 1 16 "Average Difference" CB 32 6.303 -2.531 5.865 25568 96 1 16 "Average Difference" HN 32 0.713 -0.165 0.704 25568 97 1 17 "Average Difference" N 32 3.221 0.702 3.194 25568 98 1 17 "Average Difference" HA 34 0.244 -0.008 0.248 25568 99 1 17 "Average Difference" C 31 2.053 1.652 1.239 25568 100 1 17 "Average Difference" CA 33 2.404 0.510 2.385 25568 101 1 17 "Average Difference" CB 32 6.312 -2.556 5.863 25568 102 1 17 "Average Difference" HN 32 0.716 -0.126 0.716 25568 103 1 18 "Average Difference" N 32 3.066 0.791 3.010 25568 104 1 18 "Average Difference" HA 34 0.214 -0.047 0.211 25568 105 1 18 "Average Difference" C 31 2.003 1.611 1.210 25568 106 1 18 "Average Difference" CA 33 2.423 0.438 2.420 25568 107 1 18 "Average Difference" CB 32 6.269 -2.513 5.835 25568 108 1 18 "Average Difference" HN 32 0.708 -0.143 0.704 25568 109 1 19 "Average Difference" N 32 2.940 0.911 2.840 25568 110 1 19 "Average Difference" HA 34 0.230 -0.034 0.231 25568 111 1 19 "Average Difference" C 31 2.006 1.627 1.193 25568 112 1 19 "Average Difference" CA 33 2.454 0.506 2.438 25568 113 1 19 "Average Difference" CB 32 6.312 -2.467 5.903 25568 114 1 19 "Average Difference" HN 32 0.710 -0.158 0.703 25568 115 1 20 "Average Difference" N 32 2.863 0.693 2.822 25568 116 1 20 "Average Difference" HA 34 0.254 -0.019 0.258 25568 117 1 20 "Average Difference" C 31 1.990 1.642 1.143 25568 118 1 20 "Average Difference" CA 33 2.423 0.467 2.414 25568 119 1 20 "Average Difference" CB 32 6.269 -2.403 5.882 25568 120 1 20 "Average Difference" HN 32 0.700 -0.158 0.693 25568 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 25568 _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 2 121.648 121.648 121.585 0.063 25568 2 1 . 1 1 2 2 GLU HA H 2 4.501 4.501 4.431 0.070 25568 3 1 . 1 1 2 2 GLU C C 2 173.747 173.747 175.878 -2.131 25568 4 1 . 1 1 2 2 GLU CA C 2 56.086 56.086 56.396 -0.310 25568 5 1 . 1 1 2 2 GLU CB C 2 30.592 30.592 30.356 0.236 25568 6 1 . 1 1 2 2 GLU H H 2 8.802 8.802 8.474 0.328 25568 7 1 . 1 1 3 3 CYS N N 3 119.267 119.267 116.694 2.573 25568 8 1 . 1 1 3 3 CYS HA H 3 4.568 4.568 4.820 -0.252 25568 9 1 . 1 1 3 3 CYS C C 3 171.833 171.833 174.728 -2.895 25568 10 1 . 1 1 3 3 CYS CA C 3 54.337 54.337 57.304 -2.967 25568 11 1 . 1 1 3 3 CYS CB C 3 41.809 41.809 29.952 11.857 25568 12 1 . 1 1 3 3 CYS H H 3 8.252 8.252 8.226 0.026 25568 13 1 . 1 1 4 4 GLY N N 4 107.188 107.188 107.663 -0.475 25568 14 1 . 1 1 4 4 GLY CA C 4 46.766 46.766 45.484 1.282 25568 15 1 . 1 1 4 4 GLY H H 4 8.642 8.642 8.512 0.130 25568 16 1 . 1 1 5 5 LYS N N 5 124.281 124.281 116.903 7.378 25568 17 1 . 1 1 5 5 LYS HA H 5 3.978 3.978 4.085 -0.107 25568 18 1 . 1 1 5 5 LYS C C 5 172.710 172.710 174.251 -1.541 25568 19 1 . 1 1 5 5 LYS CA C 5 54.483 54.483 54.858 -0.375 25568 20 1 . 1 1 5 5 LYS CB C 5 32.688 32.688 33.943 -1.255 25568 21 1 . 1 1 5 5 LYS H H 5 5.250 5.250 7.953 -2.703 25568 22 1 . 1 1 6 6 PHE N N 6 119.437 119.437 120.498 -1.061 25568 23 1 . 1 1 6 6 PHE HA H 6 4.077 4.077 4.323 -0.246 25568 24 1 . 1 1 6 6 PHE C C 6 174.609 174.609 175.826 -1.217 25568 25 1 . 1 1 6 6 PHE CA C 6 59.363 59.363 59.475 -0.112 25568 26 1 . 1 1 6 6 PHE CB C 6 38.968 38.968 39.352 -0.384 25568 27 1 . 1 1 6 6 PHE H H 6 8.141 8.141 8.201 -0.060 25568 28 1 . 1 1 7 7 MET N N 7 118.789 118.789 120.416 -1.627 25568 29 1 . 1 1 7 7 MET HA H 7 2.968 2.968 2.837 0.131 25568 30 1 . 1 1 7 7 MET C C 7 174.035 174.035 174.114 -0.080 25568 31 1 . 1 1 7 7 MET CA C 7 58.125 58.125 56.164 1.961 25568 32 1 . 1 1 7 7 MET CB C 7 29.062 29.062 29.864 -0.802 25568 33 1 . 1 1 7 7 MET H H 7 9.152 9.152 8.242 0.910 25568 34 1 . 1 1 8 8 TRP N N 8 122.588 122.588 120.268 2.320 25568 35 1 . 1 1 8 8 TRP HA H 8 4.626 4.626 4.700 -0.074 25568 36 1 . 1 1 8 8 TRP C C 8 174.497 174.497 176.162 -1.665 25568 37 1 . 1 1 8 8 TRP CA C 8 57.397 57.397 54.807 2.590 25568 38 1 . 1 1 8 8 TRP CB C 8 28.697 28.697 30.151 -1.454 25568 39 1 . 1 1 8 8 TRP H H 8 8.796 8.796 7.465 1.331 25568 40 1 . 1 1 9 9 LYS N N 9 121.982 121.982 123.904 -1.922 25568 41 1 . 1 1 9 9 LYS HA H 9 4.639 4.639 4.589 0.050 25568 42 1 . 1 1 9 9 LYS C C 9 173.588 173.588 176.585 -2.997 25568 43 1 . 1 1 9 9 LYS CA C 9 57.251 57.251 58.183 -0.932 25568 44 1 . 1 1 9 9 LYS CB C 9 32.559 32.559 32.784 -0.225 25568 45 1 . 1 1 9 9 LYS H H 9 8.289 8.289 8.672 -0.383 25568 46 1 . 1 1 10 10 CYS N N 10 115.637 115.637 118.941 -3.304 25568 47 1 . 1 1 10 10 CYS HA H 10 5.000 5.000 4.888 0.112 25568 48 1 . 1 1 10 10 CYS C C 10 170.732 170.732 174.008 -3.276 25568 49 1 . 1 1 10 10 CYS CA C 10 53.609 53.609 57.182 -3.573 25568 50 1 . 1 1 10 10 CYS CB C 10 47.345 47.345 30.234 17.111 25568 51 1 . 1 1 10 10 CYS H H 10 8.131 8.131 8.522 -0.391 25568 52 1 . 1 1 11 11 LYS N N 11 119.567 119.567 120.931 -1.364 25568 53 1 . 1 1 11 11 LYS HA H 11 4.429 4.429 4.325 0.104 25568 54 1 . 1 1 11 11 LYS C C 11 174.737 174.737 175.753 -1.016 25568 55 1 . 1 1 11 11 LYS CA C 11 57.470 57.470 57.475 -0.005 25568 56 1 . 1 1 11 11 LYS CB C 11 34.015 34.015 32.827 1.188 25568 57 1 . 1 1 11 11 LYS H H 11 9.543 9.543 8.860 0.683 25568 58 1 . 1 1 12 12 ASN N N 12 115.051 115.051 114.650 0.401 25568 59 1 . 1 1 12 12 ASN HA H 12 4.723 4.723 4.786 -0.063 25568 60 1 . 1 1 12 12 ASN C C 12 174.896 174.896 174.894 0.002 25568 61 1 . 1 1 12 12 ASN CA C 12 52.079 52.079 52.383 -0.304 25568 62 1 . 1 1 12 12 ASN CB C 12 40.935 40.935 40.135 0.800 25568 63 1 . 1 1 12 12 ASN H H 12 8.125 8.125 7.570 0.555 25568 64 1 . 1 1 13 13 SER N N 13 117.741 117.741 114.370 3.371 25568 65 1 . 1 1 13 13 SER HA H 13 4.116 4.116 4.407 -0.291 25568 66 1 . 1 1 13 13 SER C C 13 173.269 173.269 175.105 -1.836 25568 67 1 . 1 1 13 13 SER CA C 13 63.151 63.151 59.893 3.258 25568 68 1 . 1 1 13 13 SER CB C 13 62.968 62.968 63.345 -0.377 25568 69 1 . 1 1 13 13 SER H H 13 9.317 9.317 8.704 0.613 25568 70 1 . 1 1 14 14 ASN N N 14 119.511 119.511 119.304 0.207 25568 71 1 . 1 1 14 14 ASN HA H 14 4.648 4.648 4.601 0.047 25568 72 1 . 1 1 14 14 ASN C C 14 174.242 174.242 176.254 -2.012 25568 73 1 . 1 1 14 14 ASN CA C 14 55.139 55.139 55.067 0.072 25568 74 1 . 1 1 14 14 ASN CB C 14 37.439 37.439 38.155 -0.716 25568 75 1 . 1 1 14 14 ASN H H 14 8.579 8.579 8.162 0.417 25568 76 1 . 1 1 15 15 ASP N N 15 116.823 116.823 119.470 -2.647 25568 77 1 . 1 1 15 15 ASP HA H 15 4.687 4.687 4.636 0.051 25568 78 1 . 1 1 15 15 ASP C C 15 175.614 175.614 176.051 -0.437 25568 79 1 . 1 1 15 15 ASP CA C 15 55.721 55.721 55.628 0.093 25568 80 1 . 1 1 15 15 ASP CB C 15 42.465 42.465 41.626 0.839 25568 81 1 . 1 1 15 15 ASP H H 15 7.797 7.797 7.853 -0.056 25568 82 1 . 1 1 16 16 CYS N N 16 118.609 118.609 117.577 1.032 25568 83 1 . 1 1 16 16 CYS HA H 16 5.083 5.083 4.447 0.636 25568 84 1 . 1 1 16 16 CYS C C 16 172.327 172.327 176.118 -3.791 25568 85 1 . 1 1 16 16 CYS CA C 16 53.682 53.682 60.437 -6.755 25568 86 1 . 1 1 16 16 CYS CB C 16 41.809 41.809 27.381 14.428 25568 87 1 . 1 1 16 16 CYS H H 16 7.816 7.816 7.601 0.215 25568 88 1 . 1 1 17 17 CYS N N 17 120.994 120.994 125.272 -4.278 25568 89 1 . 1 1 17 17 CYS HA H 17 4.511 4.511 4.335 0.176 25568 90 1 . 1 1 17 17 CYS C C 17 170.811 170.811 175.081 -4.270 25568 91 1 . 1 1 17 17 CYS CA C 17 54.483 54.483 60.733 -6.250 25568 92 1 . 1 1 17 17 CYS CB C 17 40.134 40.134 27.293 12.841 25568 93 1 . 1 1 17 17 CYS H H 17 9.560 9.560 8.586 0.974 25568 94 1 . 1 1 18 18 LYS N N 18 118.089 118.089 118.734 -0.645 25568 95 1 . 1 1 18 18 LYS HA H 18 4.052 4.052 4.365 -0.313 25568 96 1 . 1 1 18 18 LYS C C 18 174.322 174.322 175.103 -0.781 25568 97 1 . 1 1 18 18 LYS CA C 18 58.562 58.562 56.218 2.344 25568 98 1 . 1 1 18 18 LYS CB C 18 32.631 32.631 33.762 -1.131 25568 99 1 . 1 1 18 18 LYS H H 18 8.004 8.004 7.564 0.440 25568 100 1 . 1 1 19 19 ASP N N 19 116.375 116.375 120.338 -3.963 25568 101 1 . 1 1 19 19 ASP HA H 19 4.295 4.295 4.345 -0.050 25568 102 1 . 1 1 19 19 ASP C C 19 172.790 172.790 174.426 -1.636 25568 103 1 . 1 1 19 19 ASP CA C 19 56.741 56.741 55.324 1.417 25568 104 1 . 1 1 19 19 ASP CB C 19 38.677 38.677 40.561 -1.884 25568 105 1 . 1 1 19 19 ASP H H 19 8.715 8.715 8.619 0.096 25568 106 1 . 1 1 20 20 LEU N N 20 120.437 120.437 117.203 3.234 25568 107 1 . 1 1 20 20 LEU HA H 20 5.229 5.229 4.985 0.244 25568 108 1 . 1 1 20 20 LEU C C 20 173.971 173.971 176.320 -2.349 25568 109 1 . 1 1 20 20 LEU CA C 20 54.920 54.920 52.960 1.960 25568 110 1 . 1 1 20 20 LEU CB C 20 44.577 44.577 45.547 -0.970 25568 111 1 . 1 1 20 20 LEU H H 20 8.286 8.286 7.497 0.789 25568 112 1 . 1 1 21 21 VAL N N 21 112.441 112.441 116.053 -3.612 25568 113 1 . 1 1 21 21 VAL HA H 21 4.579 4.579 4.522 0.057 25568 114 1 . 1 1 21 21 VAL C C 21 172.790 172.790 174.908 -2.118 25568 115 1 . 1 1 21 21 VAL CA C 21 58.999 58.999 60.463 -1.464 25568 116 1 . 1 1 21 21 VAL CB C 21 35.836 35.836 34.409 1.426 25568 117 1 . 1 1 21 21 VAL H H 21 9.324 9.324 8.579 0.745 25568 118 1 . 1 1 22 22 CYS N N 22 121.656 121.656 127.087 -5.431 25568 119 1 . 1 1 22 22 CYS HA H 22 4.806 4.806 4.548 0.258 25568 120 1 . 1 1 22 22 CYS C C 22 173.348 173.348 175.331 -1.983 25568 121 1 . 1 1 22 22 CYS CA C 22 54.629 54.629 59.847 -5.217 25568 122 1 . 1 1 22 22 CYS CB C 22 39.843 39.843 25.261 14.582 25568 123 1 . 1 1 22 22 CYS H H 22 8.806 8.806 8.811 -0.005 25568 124 1 . 1 1 23 23 SER N N 23 124.577 124.577 124.339 0.238 25568 125 1 . 1 1 23 23 SER HA H 23 4.397 4.397 4.783 -0.386 25568 126 1 . 1 1 23 23 SER C C 23 175.215 175.215 174.435 0.780 25568 127 1 . 1 1 23 23 SER CA C 23 58.271 58.271 57.572 0.699 25568 128 1 . 1 1 23 23 SER CB C 23 63.442 63.442 64.930 -1.488 25568 129 1 . 1 1 23 23 SER H H 23 8.391 8.391 8.267 0.124 25568 130 1 . 1 1 24 24 SER N N 24 126.697 126.697 122.210 4.487 25568 131 1 . 1 1 24 24 SER HA H 24 4.129 4.129 4.118 0.011 25568 132 1 . 1 1 24 24 SER C C 24 172.950 172.950 175.344 -2.394 25568 133 1 . 1 1 24 24 SER CA C 24 60.747 60.747 60.407 0.340 25568 134 1 . 1 1 24 24 SER CB C 24 62.430 62.430 63.233 -0.803 25568 135 1 . 1 1 24 24 SER H H 24 9.050 9.050 8.909 0.141 25568 136 1 . 1 1 25 25 ARG N N 25 120.375 120.375 120.625 -0.250 25568 137 1 . 1 1 25 25 ARG HA H 25 3.867 3.867 3.882 -0.015 25568 138 1 . 1 1 25 25 ARG C C 25 175.662 175.662 176.460 -0.798 25568 139 1 . 1 1 25 25 ARG CA C 25 57.542 57.542 57.894 -0.352 25568 140 1 . 1 1 25 25 ARG CB C 25 30.592 30.592 29.675 0.917 25568 141 1 . 1 1 25 25 ARG H H 25 7.499 7.499 8.092 -0.593 25568 142 1 . 1 1 26 26 TRP N N 26 115.667 115.667 117.229 -1.562 25568 143 1 . 1 1 26 26 TRP HA H 26 4.168 4.168 4.198 -0.030 25568 144 1 . 1 1 26 26 TRP C C 26 173.077 173.077 175.007 -1.930 25568 145 1 . 1 1 26 26 TRP CA C 26 56.158 56.158 56.111 0.047 25568 146 1 . 1 1 26 26 TRP CB C 26 28.553 28.553 29.207 -0.654 25568 147 1 . 1 1 26 26 TRP H H 26 7.098 7.098 7.159 -0.061 25568 148 1 . 1 1 27 27 LYS N N 27 112.484 112.484 112.886 -0.402 25568 149 1 . 1 1 27 27 LYS HA H 27 3.881 3.881 3.937 -0.056 25568 150 1 . 1 1 27 27 LYS C C 27 173.971 173.971 174.817 -0.846 25568 151 1 . 1 1 27 27 LYS CA C 27 56.287 56.287 57.330 -1.043 25568 152 1 . 1 1 27 27 LYS CB C 27 27.169 27.169 29.496 -2.327 25568 153 1 . 1 1 27 27 LYS H H 27 8.001 8.001 7.850 0.151 25568 154 1 . 1 1 28 28 TRP N N 28 110.998 110.998 113.847 -2.849 25568 155 1 . 1 1 28 28 TRP HA H 28 5.581 5.581 5.015 0.566 25568 156 1 . 1 1 28 28 TRP C C 28 175.710 175.710 174.978 0.732 25568 157 1 . 1 1 28 28 TRP CA C 28 55.284 55.284 55.313 -0.029 25568 158 1 . 1 1 28 28 TRP CB C 28 30.519 30.519 30.068 0.451 25568 159 1 . 1 1 28 28 TRP H H 28 6.947 6.947 7.630 -0.683 25568 160 1 . 1 1 29 29 CYS N N 29 121.176 121.176 121.727 -0.551 25568 161 1 . 1 1 29 29 CYS HA H 29 5.254 5.254 5.063 0.191 25568 162 1 . 1 1 29 29 CYS C C 29 173.157 173.157 175.086 -1.929 25568 163 1 . 1 1 29 29 CYS CA C 29 56.596 56.596 60.816 -4.220 25568 164 1 . 1 1 29 29 CYS CB C 29 41.518 41.518 26.372 15.146 25568 165 1 . 1 1 29 29 CYS H H 29 9.113 9.113 8.766 0.347 25568 166 1 . 1 1 30 30 VAL N N 30 117.187 117.187 120.204 -3.017 25568 167 1 . 1 1 30 30 VAL HA H 30 5.139 5.139 5.059 0.080 25568 168 1 . 1 1 30 30 VAL C C 30 173.269 173.269 174.827 -1.558 25568 169 1 . 1 1 30 30 VAL CA C 30 59.800 59.800 59.770 0.031 25568 170 1 . 1 1 30 30 VAL CB C 30 35.909 35.909 35.274 0.635 25568 171 1 . 1 1 30 30 VAL H H 30 9.923 9.923 9.077 0.846 25568 172 1 . 1 1 31 31 LEU N N 31 120.354 120.354 124.203 -3.849 25568 173 1 . 1 1 31 31 LEU HA H 31 4.406 4.406 4.213 0.193 25568 174 1 . 1 1 31 31 LEU C C 31 176.285 176.285 177.550 -1.265 25568 175 1 . 1 1 31 31 LEU CA C 31 56.668 56.668 54.923 1.745 25568 176 1 . 1 1 31 31 LEU CB C 31 41.882 41.882 39.920 1.962 25568 177 1 . 1 1 31 31 LEU H H 31 8.331 8.331 8.646 -0.315 25568 178 1 . 1 1 32 32 ALA N N 32 124.391 124.391 129.578 -5.187 25568 179 1 . 1 1 32 32 ALA HA H 32 4.201 4.201 4.227 -0.026 25568 180 1 . 1 1 32 32 ALA C C 32 175.758 175.758 177.178 -1.420 25568 181 1 . 1 1 32 32 ALA CA C 32 52.881 52.881 52.371 0.510 25568 182 1 . 1 1 32 32 ALA CB C 32 19.229 19.229 19.416 -0.187 25568 183 1 . 1 1 32 32 ALA H H 32 8.366 8.366 8.031 0.335 25568 184 1 . 1 1 33 33 SER N N 33 115.562 115.562 118.130 -2.568 25568 185 1 . 1 1 33 33 SER HA H 33 4.763 4.763 4.594 0.169 25568 186 1 . 1 1 33 33 SER CA C 33 56.062 56.062 56.794 -0.732 25568 187 1 . 1 1 33 33 SER CB C 33 63.765 63.765 63.594 0.171 25568 188 1 . 1 1 33 33 SER H H 33 8.188 8.188 8.328 -0.140 25568 189 1 . 1 1 34 34 PRO HA H 34 4.387 4.387 4.466 -0.080 25568 190 1 . 1 1 34 34 PRO C C 34 173.907 173.907 176.552 -2.645 25568 191 1 . 1 1 34 34 PRO CA C 34 63.667 63.667 64.094 -0.427 25568 192 1 . 1 1 34 34 PRO CB C 34 31.736 31.736 31.995 -0.259 25568 stop_ save_