data_25630 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25630 _Entry.PDB_ID 2N2Z 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 25630 _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 THR N N 2 113.980 113.980 112.775 1.205 25630 2 1 1 . 1 1 2 2 THR HA H 2 4.807 4.807 4.773 0.034 25630 3 1 1 . 1 1 2 2 THR C C 2 175.361 175.361 176.032 -0.671 25630 4 1 1 . 1 1 2 2 THR CA C 2 58.659 58.659 60.685 -2.026 25630 5 1 1 . 1 1 2 2 THR CB C 2 71.525 71.525 70.912 0.613 25630 6 1 1 . 1 1 2 2 THR H H 2 8.298 8.298 8.195 0.103 25630 7 1 1 . 1 1 3 3 CYS N N 3 116.929 116.929 121.891 -4.962 25630 8 1 1 . 1 1 3 3 CYS HA H 3 4.720 4.720 4.103 0.617 25630 9 1 1 . 1 1 3 3 CYS CA C 3 54.110 54.110 62.700 -8.590 25630 10 1 1 . 1 1 3 3 CYS CB C 3 31.416 31.416 26.877 4.539 25630 11 1 1 . 1 1 3 3 CYS H H 3 9.330 9.330 8.922 0.408 25630 12 1 1 . 1 1 4 4 GLY N N 4 110.525 110.525 108.092 2.433 25630 13 1 1 . 1 1 4 4 GLY CA C 4 46.883 46.883 47.586 -0.702 25630 14 1 1 . 1 1 4 4 GLY H H 4 8.739 8.739 8.800 -0.061 25630 15 1 1 . 1 1 5 5 GLN N N 5 121.402 121.402 121.038 0.364 25630 16 1 1 . 1 1 5 5 GLN HA H 5 4.122 4.122 4.177 -0.055 25630 17 1 1 . 1 1 5 5 GLN C C 5 178.604 178.604 178.753 -0.149 25630 18 1 1 . 1 1 5 5 GLN CA C 5 58.066 58.066 57.764 0.302 25630 19 1 1 . 1 1 5 5 GLN CB C 5 28.797 28.797 28.217 0.580 25630 20 1 1 . 1 1 5 5 GLN H H 5 7.651 7.651 7.663 -0.012 25630 21 1 1 . 1 1 6 6 VAL N N 6 120.864 120.864 121.014 -0.150 25630 22 1 1 . 1 1 6 6 VAL HA H 6 3.622 3.622 3.534 0.088 25630 23 1 1 . 1 1 6 6 VAL C C 6 176.268 176.268 178.214 -1.946 25630 24 1 1 . 1 1 6 6 VAL CA C 6 65.939 65.939 67.175 -1.236 25630 25 1 1 . 1 1 6 6 VAL CB C 6 31.034 31.034 31.182 -0.148 25630 26 1 1 . 1 1 6 6 VAL H H 6 7.566 7.566 8.003 -0.437 25630 27 1 1 . 1 1 7 7 THR N N 7 113.871 113.871 114.775 -0.904 25630 28 1 1 . 1 1 7 7 THR HA H 7 3.697 3.697 3.983 -0.286 25630 29 1 1 . 1 1 7 7 THR CA C 7 65.959 65.959 66.606 -0.647 25630 30 1 1 . 1 1 7 7 THR CB C 7 68.108 68.108 67.994 0.114 25630 31 1 1 . 1 1 7 7 THR H H 7 8.835 8.835 8.428 0.407 25630 32 1 1 . 1 1 8 8 GLY N N 8 108.517 108.517 108.600 -0.083 25630 33 1 1 . 1 1 8 8 GLY C C 8 175.828 175.828 175.165 0.663 25630 34 1 1 . 1 1 8 8 GLY CA C 8 46.675 46.675 46.211 0.464 25630 35 1 1 . 1 1 8 8 GLY H H 8 7.900 7.900 7.558 0.342 25630 36 1 1 . 1 1 9 9 ALA N N 9 123.446 123.446 122.848 0.598 25630 37 1 1 . 1 1 9 9 ALA HA H 9 4.160 4.160 4.156 0.004 25630 38 1 1 . 1 1 9 9 ALA C C 9 177.583 177.583 179.108 -1.525 25630 39 1 1 . 1 1 9 9 ALA CA C 9 54.053 54.053 54.197 -0.143 25630 40 1 1 . 1 1 9 9 ALA CB C 9 17.914 17.914 19.516 -1.602 25630 41 1 1 . 1 1 9 9 ALA H H 9 7.483 7.483 7.912 -0.429 25630 42 1 1 . 1 1 10 10 LEU N N 10 112.012 112.012 118.313 -6.301 25630 43 1 1 . 1 1 10 10 LEU HA H 10 4.156 4.156 4.421 -0.265 25630 44 1 1 . 1 1 10 10 LEU C C 10 177.573 177.573 177.757 -0.184 25630 45 1 1 . 1 1 10 10 LEU CA C 10 53.384 53.384 54.850 -1.466 25630 46 1 1 . 1 1 10 10 LEU CB C 10 42.102 42.102 40.442 1.660 25630 47 1 1 . 1 1 10 10 LEU H H 10 7.279 7.279 7.869 -0.590 25630 48 1 1 . 1 1 11 11 ALA N N 11 124.705 124.705 124.233 0.472 25630 49 1 1 . 1 1 11 11 ALA HA H 11 4.251 4.251 4.167 0.084 25630 50 1 1 . 1 1 11 11 ALA C C 11 176.754 176.754 176.769 -0.015 25630 51 1 1 . 1 1 11 11 ALA CA C 11 56.645 56.645 56.571 0.074 25630 52 1 1 . 1 1 11 11 ALA CB C 11 15.503 15.503 16.516 -1.013 25630 53 1 1 . 1 1 11 11 ALA H H 11 7.517 7.517 7.784 -0.267 25630 54 1 1 . 1 1 12 12 PRO HA H 12 4.663 4.663 4.503 0.160 25630 55 1 1 . 1 1 12 12 PRO CA C 12 64.423 64.423 64.241 0.182 25630 56 1 1 . 1 1 12 12 PRO CB C 12 31.214 31.214 30.914 0.300 25630 57 1 1 . 1 1 13 13 CYS N N 13 114.976 114.976 117.392 -2.416 25630 58 1 1 . 1 1 13 13 CYS HA H 13 4.618 4.618 4.516 0.102 25630 59 1 1 . 1 1 13 13 CYS C C 13 174.583 174.583 176.408 -1.825 25630 60 1 1 . 1 1 13 13 CYS CA C 13 53.992 53.992 60.961 -6.968 25630 61 1 1 . 1 1 13 13 CYS CB C 13 42.898 42.898 27.753 15.145 25630 62 1 1 . 1 1 13 13 CYS H H 13 8.801 8.801 7.596 1.205 25630 63 1 1 . 1 1 14 14 LEU N N 14 121.119 121.119 121.130 -0.011 25630 64 1 1 . 1 1 14 14 LEU HA H 14 3.817 3.817 3.899 -0.082 25630 65 1 1 . 1 1 14 14 LEU C C 14 177.057 177.057 178.999 -1.942 25630 66 1 1 . 1 1 14 14 LEU CA C 14 59.303 59.303 57.877 1.426 25630 67 1 1 . 1 1 14 14 LEU CB C 14 40.871 40.871 41.285 -0.414 25630 68 1 1 . 1 1 14 14 LEU H H 14 7.665 7.665 7.759 -0.094 25630 69 1 1 . 1 1 15 15 GLY N N 15 105.845 105.845 107.113 -1.268 25630 70 1 1 . 1 1 15 15 GLY C C 15 176.947 176.947 175.137 1.810 25630 71 1 1 . 1 1 15 15 GLY CA C 15 46.859 46.859 46.806 0.053 25630 72 1 1 . 1 1 15 15 GLY H H 15 8.322 8.322 8.071 0.251 25630 73 1 1 . 1 1 16 16 TYR N N 16 125.900 125.900 122.628 3.272 25630 74 1 1 . 1 1 16 16 TYR HA H 16 4.004 4.004 4.283 -0.279 25630 75 1 1 . 1 1 16 16 TYR C C 16 177.192 177.192 177.818 -0.626 25630 76 1 1 . 1 1 16 16 TYR CA C 16 61.361 61.361 60.026 1.335 25630 77 1 1 . 1 1 16 16 TYR CB C 16 37.906 37.906 38.532 -0.626 25630 78 1 1 . 1 1 16 16 TYR H H 16 8.650 8.650 7.569 1.081 25630 79 1 1 . 1 1 17 17 LEU N N 17 117.280 117.280 117.567 -0.287 25630 80 1 1 . 1 1 17 17 LEU HA H 17 3.792 3.792 3.960 -0.168 25630 81 1 1 . 1 1 17 17 LEU C C 17 175.010 175.010 178.169 -3.159 25630 82 1 1 . 1 1 17 17 LEU CA C 17 56.221 56.221 57.357 -1.136 25630 83 1 1 . 1 1 17 17 LEU CB C 17 41.476 41.476 41.552 -0.076 25630 84 1 1 . 1 1 17 17 LEU H H 17 8.419 8.419 8.097 0.322 25630 85 1 1 . 1 1 18 18 ARG N N 18 115.416 115.416 114.830 0.586 25630 86 1 1 . 1 1 18 18 ARG HA H 18 4.579 4.579 4.638 -0.059 25630 87 1 1 . 1 1 18 18 ARG C C 18 175.874 175.874 175.490 0.384 25630 88 1 1 . 1 1 18 18 ARG CA C 18 55.322 55.322 55.339 -0.017 25630 89 1 1 . 1 1 18 18 ARG CB C 18 30.375 30.375 30.872 -0.497 25630 90 1 1 . 1 1 18 18 ARG H H 18 7.212 7.212 7.397 -0.185 25630 91 1 1 . 1 1 19 19 THR N N 19 117.095 117.095 118.112 -1.017 25630 92 1 1 . 1 1 19 19 THR HA H 19 4.296 4.296 4.313 -0.017 25630 93 1 1 . 1 1 19 19 THR C C 19 173.038 173.038 173.819 -0.781 25630 94 1 1 . 1 1 19 19 THR CA C 19 62.270 62.270 61.941 0.329 25630 95 1 1 . 1 1 19 19 THR CB C 19 69.436 69.436 68.448 0.988 25630 96 1 1 . 1 1 19 19 THR H H 19 7.462 7.462 7.213 0.249 25630 97 1 1 . 1 1 20 20 ALA N N 20 128.239 128.239 130.051 -1.812 25630 98 1 1 . 1 1 20 20 ALA HA H 20 4.151 4.151 4.209 -0.058 25630 99 1 1 . 1 1 20 20 ALA C C 20 177.148 177.148 177.734 -0.586 25630 100 1 1 . 1 1 20 20 ALA CA C 20 52.378 52.378 53.154 -0.776 25630 101 1 1 . 1 1 20 20 ALA CB C 20 18.697 18.697 19.190 -0.493 25630 102 1 1 . 1 1 20 20 ALA H H 20 8.607 8.607 8.219 0.388 25630 103 1 1 . 1 1 21 21 GLY N N 21 106.473 106.473 110.889 -4.416 25630 104 1 1 . 1 1 21 21 GLY C C 21 173.046 173.046 173.319 -0.273 25630 105 1 1 . 1 1 21 21 GLY CA C 21 44.516 44.516 44.236 0.280 25630 106 1 1 . 1 1 21 21 GLY H H 21 8.207 8.207 8.101 0.106 25630 107 1 1 . 1 1 22 22 SER N N 22 115.592 115.592 116.191 -0.599 25630 108 1 1 . 1 1 22 22 SER HA H 22 4.684 4.684 4.719 -0.035 25630 109 1 1 . 1 1 22 22 SER CA C 22 56.763 56.763 58.197 -1.434 25630 110 1 1 . 1 1 22 22 SER CB C 22 62.875 62.875 63.525 -0.650 25630 111 1 1 . 1 1 22 22 SER H H 22 8.177 8.177 8.271 -0.094 25630 112 1 1 . 1 1 23 23 VAL N N 23 120.568 120.568 119.797 0.771 25630 113 1 1 . 1 1 23 23 VAL HA H 23 4.817 4.817 4.592 0.225 25630 114 1 1 . 1 1 23 23 VAL CA C 23 58.256 58.256 59.091 -0.835 25630 115 1 1 . 1 1 23 23 VAL CB C 23 32.614 32.614 33.117 -0.504 25630 116 1 1 . 1 1 23 23 VAL H H 23 8.110 8.110 8.181 -0.071 25630 117 1 1 . 1 1 24 24 PRO HA H 24 4.400 4.400 4.580 -0.180 25630 118 1 1 . 1 1 24 24 PRO CA C 24 62.104 62.104 62.691 -0.587 25630 119 1 1 . 1 1 24 24 PRO CB C 24 31.625 31.625 32.175 -0.550 25630 120 1 1 . 1 1 25 25 VAL N N 25 122.444 122.444 121.550 0.894 25630 121 1 1 . 1 1 25 25 VAL HA H 25 3.666 3.666 3.248 0.418 25630 122 1 1 . 1 1 25 25 VAL C C 25 174.735 174.735 174.833 -0.098 25630 123 1 1 . 1 1 25 25 VAL CA C 25 58.474 58.474 61.357 -2.883 25630 124 1 1 . 1 1 25 25 VAL CB C 25 32.625 32.625 31.965 0.660 25630 125 1 1 . 1 1 25 25 VAL H H 25 8.187 8.187 8.295 -0.108 25630 126 1 1 . 1 1 26 26 PRO HA H 26 4.437 4.437 4.410 0.027 25630 127 1 1 . 1 1 26 26 PRO CA C 26 62.431 62.431 62.382 0.049 25630 128 1 1 . 1 1 26 26 PRO CB C 26 32.069 32.069 32.105 -0.036 25630 129 1 1 . 1 1 27 27 LEU N N 27 128.747 128.747 128.506 0.241 25630 130 1 1 . 1 1 27 27 LEU HA H 27 3.982 3.982 4.040 -0.058 25630 131 1 1 . 1 1 27 27 LEU C C 27 178.619 178.619 178.209 0.410 25630 132 1 1 . 1 1 27 27 LEU CA C 27 58.471 58.471 58.614 -0.143 25630 133 1 1 . 1 1 27 27 LEU CB C 27 41.085 41.085 41.357 -0.272 25630 134 1 1 . 1 1 27 27 LEU H H 27 8.871 8.871 8.534 0.337 25630 135 1 1 . 1 1 28 28 THR N N 28 107.667 107.667 110.263 -2.596 25630 136 1 1 . 1 1 28 28 THR HA H 28 3.962 3.962 4.067 -0.105 25630 137 1 1 . 1 1 28 28 THR C C 28 177.771 177.771 176.337 1.434 25630 138 1 1 . 1 1 28 28 THR CA C 28 64.160 64.160 65.171 -1.011 25630 139 1 1 . 1 1 28 28 THR CB C 28 67.597 67.597 67.982 -0.385 25630 140 1 1 . 1 1 28 28 THR H H 28 8.219 8.219 8.231 -0.012 25630 141 1 1 . 1 1 29 29 CYS N N 29 118.564 118.564 121.036 -2.472 25630 142 1 1 . 1 1 29 29 CYS HA H 29 4.471 4.471 4.326 0.145 25630 143 1 1 . 1 1 29 29 CYS C C 29 175.191 175.191 176.894 -1.703 25630 144 1 1 . 1 1 29 29 CYS CA C 29 58.136 58.136 60.614 -2.478 25630 145 1 1 . 1 1 29 29 CYS CB C 29 37.170 37.170 25.616 11.554 25630 146 1 1 . 1 1 29 29 CYS H H 29 7.177 7.177 7.934 -0.757 25630 147 1 1 . 1 1 30 30 CYS N N 30 117.371 117.371 121.026 -3.655 25630 148 1 1 . 1 1 30 30 CYS HA H 30 4.656 4.656 4.040 0.616 25630 149 1 1 . 1 1 30 30 CYS C C 30 177.101 177.101 177.339 -0.238 25630 150 1 1 . 1 1 30 30 CYS CA C 30 54.440 54.440 63.614 -9.174 25630 151 1 1 . 1 1 30 30 CYS CB C 30 31.989 31.989 25.707 6.282 25630 152 1 1 . 1 1 30 30 CYS H H 30 7.522 7.522 8.138 -0.616 25630 153 1 1 . 1 1 31 31 ASN N N 31 119.039 119.039 118.480 0.559 25630 154 1 1 . 1 1 31 31 ASN HA H 31 4.468 4.468 4.376 0.092 25630 155 1 1 . 1 1 31 31 ASN C C 31 178.119 178.119 177.665 0.454 25630 156 1 1 . 1 1 31 31 ASN CA C 31 55.778 55.778 57.316 -1.538 25630 157 1 1 . 1 1 31 31 ASN CB C 31 36.964 36.964 38.023 -1.059 25630 158 1 1 . 1 1 31 31 ASN H H 31 8.703 8.703 8.194 0.509 25630 159 1 1 . 1 1 32 32 GLY N N 32 111.440 111.440 107.998 3.442 25630 160 1 1 . 1 1 32 32 GLY C C 32 175.147 175.147 175.746 -0.599 25630 161 1 1 . 1 1 32 32 GLY CA C 32 47.058 47.058 46.577 0.481 25630 162 1 1 . 1 1 32 32 GLY H H 32 7.744 7.744 7.687 0.057 25630 163 1 1 . 1 1 33 33 VAL N N 33 122.106 122.106 122.815 -0.709 25630 164 1 1 . 1 1 33 33 VAL HA H 33 3.470 3.470 3.491 -0.021 25630 165 1 1 . 1 1 33 33 VAL C C 33 177.344 177.344 177.497 -0.153 25630 166 1 1 . 1 1 33 33 VAL CA C 33 66.135 66.135 66.161 -0.026 25630 167 1 1 . 1 1 33 33 VAL CB C 33 31.530 31.530 31.552 -0.021 25630 168 1 1 . 1 1 33 33 VAL H H 33 8.139 8.139 7.717 0.422 25630 169 1 1 . 1 1 34 34 ARG N N 34 119.957 119.957 120.261 -0.304 25630 170 1 1 . 1 1 34 34 ARG HA H 34 3.869 3.869 3.945 -0.076 25630 171 1 1 . 1 1 34 34 ARG C C 34 178.641 178.641 178.543 0.098 25630 172 1 1 . 1 1 34 34 ARG CA C 34 59.563 59.563 59.859 -0.296 25630 173 1 1 . 1 1 34 34 ARG CB C 34 29.978 29.978 29.898 0.080 25630 174 1 1 . 1 1 34 34 ARG H H 34 8.452 8.452 8.666 -0.214 25630 175 1 1 . 1 1 35 35 GLY N N 35 106.891 106.891 106.591 0.300 25630 176 1 1 . 1 1 35 35 GLY C C 35 176.413 176.413 176.386 0.027 25630 177 1 1 . 1 1 35 35 GLY CA C 35 46.653 46.653 46.765 -0.112 25630 178 1 1 . 1 1 35 35 GLY H H 35 8.062 8.062 7.774 0.288 25630 179 1 1 . 1 1 36 36 LEU N N 36 123.784 123.784 123.061 0.723 25630 180 1 1 . 1 1 36 36 LEU HA H 36 4.077 4.077 3.935 0.142 25630 181 1 1 . 1 1 36 36 LEU C C 36 177.848 177.848 178.288 -0.440 25630 182 1 1 . 1 1 36 36 LEU CA C 36 57.160 57.160 57.686 -0.526 25630 183 1 1 . 1 1 36 36 LEU CB C 36 41.162 41.162 41.796 -0.634 25630 184 1 1 . 1 1 36 36 LEU H H 36 8.119 8.119 7.694 0.425 25630 185 1 1 . 1 1 37 37 ASN N N 37 116.442 116.442 117.104 -0.662 25630 186 1 1 . 1 1 37 37 ASN HA H 37 4.507 4.507 4.300 0.207 25630 187 1 1 . 1 1 37 37 ASN C C 37 176.799 176.799 177.198 -0.399 25630 188 1 1 . 1 1 37 37 ASN CA C 37 55.501 55.501 56.462 -0.961 25630 189 1 1 . 1 1 37 37 ASN CB C 37 38.980 38.980 38.578 0.402 25630 190 1 1 . 1 1 37 37 ASN H H 37 7.847 7.847 7.947 -0.100 25630 191 1 1 . 1 1 38 38 ASN N N 38 115.049 115.049 117.988 -2.939 25630 192 1 1 . 1 1 38 38 ASN HA H 38 4.421 4.421 4.678 -0.257 25630 193 1 1 . 1 1 38 38 ASN C C 38 175.620 175.620 177.593 -1.973 25630 194 1 1 . 1 1 38 38 ASN CA C 38 54.393 54.393 54.756 -0.363 25630 195 1 1 . 1 1 38 38 ASN CB C 38 38.079 38.079 39.069 -0.990 25630 196 1 1 . 1 1 38 38 ASN H H 38 7.982 7.982 7.665 0.317 25630 197 1 1 . 1 1 39 39 ALA N N 39 119.826 119.826 122.486 -2.660 25630 198 1 1 . 1 1 39 39 ALA HA H 39 4.269 4.269 4.227 0.042 25630 199 1 1 . 1 1 39 39 ALA C C 39 176.587 176.587 178.326 -1.739 25630 200 1 1 . 1 1 39 39 ALA CA C 39 52.527 52.527 54.270 -1.743 25630 201 1 1 . 1 1 39 39 ALA CB C 39 18.507 18.507 18.564 -0.057 25630 202 1 1 . 1 1 39 39 ALA H H 39 7.624 7.624 8.131 -0.507 25630 203 1 1 . 1 1 40 40 ALA N N 40 120.950 120.950 119.287 1.663 25630 204 1 1 . 1 1 40 40 ALA HA H 40 4.642 4.642 4.444 0.198 25630 205 1 1 . 1 1 40 40 ALA C C 40 174.615 174.615 177.490 -2.875 25630 206 1 1 . 1 1 40 40 ALA CA C 40 50.169 50.169 50.602 -0.433 25630 207 1 1 . 1 1 40 40 ALA CB C 40 17.604 17.604 18.572 -0.968 25630 208 1 1 . 1 1 40 40 ALA H H 40 7.290 7.290 7.691 -0.401 25630 209 1 1 . 1 1 41 41 ARG N N 41 122.802 122.802 119.135 3.667 25630 210 1 1 . 1 1 41 41 ARG HA H 41 4.478 4.478 3.966 0.512 25630 211 1 1 . 1 1 41 41 ARG C C 41 176.177 176.177 175.842 0.335 25630 212 1 1 . 1 1 41 41 ARG CA C 41 56.365 56.365 58.358 -1.993 25630 213 1 1 . 1 1 41 41 ARG CB C 41 31.618 31.618 29.990 1.628 25630 214 1 1 . 1 1 41 41 ARG H H 41 9.046 9.046 7.470 1.576 25630 215 1 1 . 1 1 42 42 THR N N 42 108.733 108.733 108.695 0.038 25630 216 1 1 . 1 1 42 42 THR HA H 42 4.740 4.740 4.386 0.354 25630 217 1 1 . 1 1 42 42 THR C C 42 174.689 174.689 175.990 -1.301 25630 218 1 1 . 1 1 42 42 THR CA C 42 58.871 58.871 60.855 -1.984 25630 219 1 1 . 1 1 42 42 THR CB C 42 72.072 72.072 70.544 1.528 25630 220 1 1 . 1 1 42 42 THR H H 42 7.739 7.739 7.679 0.060 25630 221 1 1 . 1 1 43 43 THR N N 43 119.812 119.812 121.623 -1.811 25630 222 1 1 . 1 1 43 43 THR HA H 43 3.847 3.847 4.146 -0.299 25630 223 1 1 . 1 1 43 43 THR C C 43 175.620 175.620 176.501 -0.881 25630 224 1 1 . 1 1 43 43 THR CA C 43 67.260 67.260 66.777 0.483 25630 225 1 1 . 1 1 43 43 THR CB C 43 68.592 68.592 68.530 0.062 25630 226 1 1 . 1 1 43 43 THR H H 43 8.836 8.836 8.709 0.127 25630 227 1 1 . 1 1 44 44 ILE N N 44 118.906 118.906 121.753 -2.847 25630 228 1 1 . 1 1 44 44 ILE HA H 44 3.757 3.757 3.712 0.045 25630 229 1 1 . 1 1 44 44 ILE C C 44 178.108 178.108 177.853 0.255 25630 230 1 1 . 1 1 44 44 ILE CA C 44 63.926 63.926 63.580 0.346 25630 231 1 1 . 1 1 44 44 ILE CB C 44 37.142 37.142 37.238 -0.096 25630 232 1 1 . 1 1 44 44 ILE H H 44 8.101 8.101 8.020 0.081 25630 233 1 1 . 1 1 45 45 ASP N N 45 122.298 122.298 119.768 2.530 25630 234 1 1 . 1 1 45 45 ASP HA H 45 4.425 4.425 4.389 0.036 25630 235 1 1 . 1 1 45 45 ASP C C 45 177.785 177.785 179.275 -1.490 25630 236 1 1 . 1 1 45 45 ASP CA C 45 57.295 57.295 57.294 0.000 25630 237 1 1 . 1 1 45 45 ASP CB C 45 40.548 40.548 40.071 0.477 25630 238 1 1 . 1 1 45 45 ASP H H 45 7.680 7.680 8.192 -0.512 25630 239 1 1 . 1 1 46 46 ARG N N 46 120.337 120.337 119.224 1.113 25630 240 1 1 . 1 1 46 46 ARG HA H 46 3.876 3.876 4.014 -0.138 25630 241 1 1 . 1 1 46 46 ARG C C 46 177.807 177.807 178.714 -0.907 25630 242 1 1 . 1 1 46 46 ARG CA C 46 60.277 60.277 59.556 0.721 25630 243 1 1 . 1 1 46 46 ARG CB C 46 30.939 30.939 30.334 0.605 25630 244 1 1 . 1 1 46 46 ARG H H 46 8.515 8.515 7.998 0.517 25630 245 1 1 . 1 1 47 47 ARG N N 47 119.948 119.948 118.129 1.819 25630 246 1 1 . 1 1 47 47 ARG HA H 47 3.665 3.665 4.130 -0.465 25630 247 1 1 . 1 1 47 47 ARG C C 47 178.290 178.290 178.661 -0.371 25630 248 1 1 . 1 1 47 47 ARG CA C 47 60.686 60.686 59.369 1.317 25630 249 1 1 . 1 1 47 47 ARG CB C 47 29.376 29.376 29.504 -0.128 25630 250 1 1 . 1 1 47 47 ARG H H 47 8.514 8.514 8.228 0.286 25630 251 1 1 . 1 1 48 48 THR N N 48 117.694 117.694 117.240 0.454 25630 252 1 1 . 1 1 48 48 THR HA H 48 3.942 3.942 3.955 -0.013 25630 253 1 1 . 1 1 48 48 THR C C 48 175.681 175.681 176.269 -0.588 25630 254 1 1 . 1 1 48 48 THR CA C 48 66.372 66.372 67.702 -1.330 25630 255 1 1 . 1 1 48 48 THR CB C 48 68.274 68.274 68.742 -0.468 25630 256 1 1 . 1 1 48 48 THR H H 48 8.269 8.269 8.389 -0.120 25630 257 1 1 . 1 1 49 49 ALA N N 49 124.040 124.040 122.639 1.401 25630 258 1 1 . 1 1 49 49 ALA HA H 49 3.654 3.654 4.068 -0.414 25630 259 1 1 . 1 1 49 49 ALA C C 49 177.390 177.390 178.932 -1.542 25630 260 1 1 . 1 1 49 49 ALA CA C 49 55.805 55.805 55.246 0.559 25630 261 1 1 . 1 1 49 49 ALA CB C 49 16.984 16.984 18.007 -1.023 25630 262 1 1 . 1 1 49 49 ALA H H 49 8.550 8.550 7.887 0.663 25630 263 1 1 . 1 1 50 50 CYS N N 50 116.329 116.329 118.542 -2.213 25630 264 1 1 . 1 1 50 50 CYS HA H 50 3.545 3.545 4.021 -0.476 25630 265 1 1 . 1 1 50 50 CYS C C 50 175.828 175.828 176.798 -0.970 25630 266 1 1 . 1 1 50 50 CYS CA C 50 60.131 60.131 62.799 -2.668 25630 267 1 1 . 1 1 50 50 CYS CB C 50 34.259 34.259 26.047 8.212 25630 268 1 1 . 1 1 50 50 CYS H H 50 7.989 7.989 8.137 -0.148 25630 269 1 1 . 1 1 51 51 ASN N N 51 120.444 120.444 119.230 1.214 25630 270 1 1 . 1 1 51 51 ASN HA H 51 4.378 4.378 4.341 0.037 25630 271 1 1 . 1 1 51 51 ASN C C 51 178.199 178.199 177.338 0.861 25630 272 1 1 . 1 1 51 51 ASN CA C 51 56.565 56.565 57.553 -0.989 25630 273 1 1 . 1 1 51 51 ASN CB C 51 38.593 38.593 38.119 0.474 25630 274 1 1 . 1 1 51 51 ASN H H 51 8.323 8.323 8.331 -0.008 25630 275 1 1 . 1 1 52 52 CYS N N 52 119.488 119.488 119.605 -0.117 25630 276 1 1 . 1 1 52 52 CYS HA H 52 4.373 4.373 3.993 0.380 25630 277 1 1 . 1 1 52 52 CYS C C 52 177.254 177.254 176.993 0.261 25630 278 1 1 . 1 1 52 52 CYS CA C 52 57.075 57.075 62.920 -5.845 25630 279 1 1 . 1 1 52 52 CYS CB C 52 36.261 36.261 26.085 10.176 25630 280 1 1 . 1 1 52 52 CYS H H 52 8.782 8.782 7.631 1.151 25630 281 1 1 . 1 1 53 53 LEU N N 53 122.617 122.617 119.758 2.859 25630 282 1 1 . 1 1 53 53 LEU HA H 53 3.901 3.901 3.924 -0.023 25630 283 1 1 . 1 1 53 53 LEU C C 53 177.359 177.359 178.881 -1.522 25630 284 1 1 . 1 1 53 53 LEU CA C 53 57.761 57.761 57.507 0.254 25630 285 1 1 . 1 1 53 53 LEU CB C 53 41.156 41.156 41.658 -0.502 25630 286 1 1 . 1 1 53 53 LEU H H 53 8.549 8.549 7.968 0.581 25630 287 1 1 . 1 1 54 54 LYS N N 54 122.313 122.313 120.014 2.299 25630 288 1 1 . 1 1 54 54 LYS HA H 54 4.000 4.000 3.955 0.045 25630 289 1 1 . 1 1 54 54 LYS C C 54 178.656 178.656 179.015 -0.359 25630 290 1 1 . 1 1 54 54 LYS CA C 54 59.520 59.520 59.397 0.123 25630 291 1 1 . 1 1 54 54 LYS CB C 54 33.175 33.175 32.056 1.119 25630 292 1 1 . 1 1 54 54 LYS H H 54 8.409 8.409 8.322 0.087 25630 293 1 1 . 1 1 55 55 GLN N N 55 117.604 117.604 117.678 -0.074 25630 294 1 1 . 1 1 55 55 GLN HA H 55 4.122 4.122 4.145 -0.023 25630 295 1 1 . 1 1 55 55 GLN C C 55 179.074 179.074 178.254 0.820 25630 296 1 1 . 1 1 55 55 GLN CA C 55 58.354 58.354 58.923 -0.569 25630 297 1 1 . 1 1 55 55 GLN CB C 55 27.875 27.875 28.576 -0.701 25630 298 1 1 . 1 1 55 55 GLN H H 55 7.735 7.735 7.833 -0.098 25630 299 1 1 . 1 1 56 56 THR N N 56 118.464 118.464 117.820 0.644 25630 300 1 1 . 1 1 56 56 THR HA H 56 3.884 3.884 3.987 -0.103 25630 301 1 1 . 1 1 56 56 THR C C 56 175.389 175.389 176.297 -0.908 25630 302 1 1 . 1 1 56 56 THR CA C 56 66.829 66.829 66.161 0.668 25630 303 1 1 . 1 1 56 56 THR CB C 56 68.401 68.401 68.447 -0.046 25630 304 1 1 . 1 1 56 56 THR H H 56 8.091 8.091 7.394 0.697 25630 305 1 1 . 1 1 57 57 ALA N N 57 121.609 121.609 123.673 -2.064 25630 306 1 1 . 1 1 57 57 ALA HA H 57 3.852 3.852 3.998 -0.146 25630 307 1 1 . 1 1 57 57 ALA C C 57 178.061 178.061 178.683 -0.622 25630 308 1 1 . 1 1 57 57 ALA CA C 57 54.457 54.457 55.221 -0.764 25630 309 1 1 . 1 1 57 57 ALA CB C 57 16.448 16.448 18.252 -1.804 25630 310 1 1 . 1 1 57 57 ALA H H 57 8.619 8.619 8.241 0.378 25630 311 1 1 . 1 1 58 58 ASN N N 58 113.169 113.169 114.713 -1.544 25630 312 1 1 . 1 1 58 58 ASN HA H 58 4.446 4.446 4.544 -0.098 25630 313 1 1 . 1 1 58 58 ASN C C 58 174.706 174.706 176.094 -1.388 25630 314 1 1 . 1 1 58 58 ASN CA C 58 54.894 54.894 55.066 -0.172 25630 315 1 1 . 1 1 58 58 ASN CB C 58 39.606 39.606 38.959 0.647 25630 316 1 1 . 1 1 58 58 ASN H H 58 7.695 7.695 7.770 -0.075 25630 317 1 1 . 1 1 59 59 ALA N N 59 119.952 119.952 121.403 -1.451 25630 318 1 1 . 1 1 59 59 ALA HA H 59 4.382 4.382 4.308 0.074 25630 319 1 1 . 1 1 59 59 ALA C C 59 176.966 176.966 178.250 -1.284 25630 320 1 1 . 1 1 59 59 ALA CA C 59 52.142 52.142 52.784 -0.642 25630 321 1 1 . 1 1 59 59 ALA CB C 59 19.235 19.235 19.731 -0.496 25630 322 1 1 . 1 1 59 59 ALA H H 59 7.506 7.506 7.430 0.076 25630 323 1 1 . 1 1 60 60 ILE N N 60 120.027 120.027 120.750 -0.723 25630 324 1 1 . 1 1 60 60 ILE HA H 60 4.067 4.067 3.913 0.154 25630 325 1 1 . 1 1 60 60 ILE C C 60 175.009 175.009 176.329 -1.320 25630 326 1 1 . 1 1 60 60 ILE CA C 60 60.557 60.557 62.115 -1.558 25630 327 1 1 . 1 1 60 60 ILE CB C 60 37.427 37.427 37.317 0.110 25630 328 1 1 . 1 1 60 60 ILE H H 60 7.184 7.184 8.172 -0.988 25630 329 1 1 . 1 1 61 61 ALA N N 61 130.970 130.970 130.402 0.568 25630 330 1 1 . 1 1 61 61 ALA HA H 61 4.151 4.151 4.124 0.027 25630 331 1 1 . 1 1 61 61 ALA C C 61 177.709 177.709 177.627 0.082 25630 332 1 1 . 1 1 61 61 ALA CA C 61 53.789 53.789 54.052 -0.263 25630 333 1 1 . 1 1 61 61 ALA CB C 61 18.322 18.322 18.670 -0.348 25630 334 1 1 . 1 1 61 61 ALA H H 61 8.486 8.486 8.673 -0.187 25630 335 1 1 . 1 1 62 62 ASP N N 62 114.991 114.991 118.156 -3.165 25630 336 1 1 . 1 1 62 62 ASP HA H 62 4.479 4.479 4.657 -0.178 25630 337 1 1 . 1 1 62 62 ASP C C 62 174.354 174.354 175.215 -0.861 25630 338 1 1 . 1 1 62 62 ASP CA C 62 52.461 52.461 52.982 -0.521 25630 339 1 1 . 1 1 62 62 ASP CB C 62 37.900 37.900 40.902 -3.002 25630 340 1 1 . 1 1 62 62 ASP H H 62 8.543 8.543 8.064 0.479 25630 341 1 1 . 1 1 63 63 LEU N N 63 118.657 118.657 122.421 -3.764 25630 342 1 1 . 1 1 63 63 LEU HA H 63 3.766 3.766 4.305 -0.539 25630 343 1 1 . 1 1 63 63 LEU C C 63 175.646 175.646 175.536 0.110 25630 344 1 1 . 1 1 63 63 LEU CA C 63 55.561 55.561 55.014 0.547 25630 345 1 1 . 1 1 63 63 LEU CB C 63 42.180 42.180 42.171 0.009 25630 346 1 1 . 1 1 63 63 LEU H H 63 7.012 7.012 7.311 -0.299 25630 347 1 1 . 1 1 64 64 ASN N N 64 125.123 125.123 126.353 -1.230 25630 348 1 1 . 1 1 64 64 ASN HA H 64 4.711 4.711 4.651 0.060 25630 349 1 1 . 1 1 64 64 ASN C C 64 175.086 175.086 176.004 -0.918 25630 350 1 1 . 1 1 64 64 ASN CA C 64 51.664 51.664 52.338 -0.674 25630 351 1 1 . 1 1 64 64 ASN CB C 64 37.101 37.101 37.949 -0.848 25630 352 1 1 . 1 1 64 64 ASN H H 64 8.947 8.947 8.115 0.832 25630 353 1 1 . 1 1 65 65 LEU N N 65 126.541 126.541 124.983 1.558 25630 354 1 1 . 1 1 65 65 LEU HA H 65 3.915 3.915 3.700 0.215 25630 355 1 1 . 1 1 65 65 LEU C C 65 179.923 179.923 178.217 1.706 25630 356 1 1 . 1 1 65 65 LEU CA C 65 57.744 57.744 58.450 -0.706 25630 357 1 1 . 1 1 65 65 LEU CB C 65 40.932 40.932 41.456 -0.524 25630 358 1 1 . 1 1 65 65 LEU H H 65 8.515 8.515 8.066 0.449 25630 359 1 1 . 1 1 66 66 ASN N N 66 119.258 119.258 117.062 2.196 25630 360 1 1 . 1 1 66 66 ASN HA H 66 4.515 4.515 4.363 0.152 25630 361 1 1 . 1 1 66 66 ASN C C 66 177.832 177.832 177.379 0.453 25630 362 1 1 . 1 1 66 66 ASN CA C 66 55.848 55.848 56.496 -0.648 25630 363 1 1 . 1 1 66 66 ASN CB C 66 37.670 37.670 37.753 -0.083 25630 364 1 1 . 1 1 66 66 ASN H H 66 8.376 8.376 8.088 0.288 25630 365 1 1 . 1 1 67 67 ALA N N 67 125.139 125.139 123.091 2.048 25630 366 1 1 . 1 1 67 67 ALA HA H 67 4.144 4.144 4.122 0.022 25630 367 1 1 . 1 1 67 67 ALA C C 67 180.849 180.849 178.897 1.952 25630 368 1 1 . 1 1 67 67 ALA CA C 67 53.639 53.639 54.635 -0.995 25630 369 1 1 . 1 1 67 67 ALA CB C 67 17.340 17.340 18.042 -0.702 25630 370 1 1 . 1 1 67 67 ALA H H 67 7.835 7.835 7.710 0.125 25630 371 1 1 . 1 1 68 68 ALA N N 68 119.901 119.901 119.752 0.149 25630 372 1 1 . 1 1 68 68 ALA HA H 68 3.959 3.959 4.054 -0.095 25630 373 1 1 . 1 1 68 68 ALA C C 68 178.092 178.092 178.354 -0.262 25630 374 1 1 . 1 1 68 68 ALA CA C 68 54.893 54.893 54.236 0.657 25630 375 1 1 . 1 1 68 68 ALA CB C 68 17.324 17.324 18.435 -1.111 25630 376 1 1 . 1 1 68 68 ALA H H 68 8.187 8.187 8.409 -0.222 25630 377 1 1 . 1 1 69 69 ALA N N 69 118.169 118.169 120.091 -1.922 25630 378 1 1 . 1 1 69 69 ALA HA H 69 4.233 4.233 4.427 -0.194 25630 379 1 1 . 1 1 69 69 ALA C C 69 179.953 179.953 179.692 0.261 25630 380 1 1 . 1 1 69 69 ALA CA C 69 54.247 54.247 54.130 0.117 25630 381 1 1 . 1 1 69 69 ALA CB C 69 17.943 17.943 19.568 -1.625 25630 382 1 1 . 1 1 69 69 ALA H H 69 7.987 7.987 7.675 0.312 25630 383 1 1 . 1 1 70 70 GLY N N 70 102.097 102.097 107.530 -5.433 25630 384 1 1 . 1 1 70 70 GLY C C 70 173.713 173.713 175.841 -2.128 25630 385 1 1 . 1 1 70 70 GLY CA C 70 44.759 44.759 46.258 -1.499 25630 386 1 1 . 1 1 70 70 GLY H H 70 7.736 7.736 8.028 -0.292 25630 387 1 1 . 1 1 71 71 LEU N N 71 121.365 121.365 123.605 -2.240 25630 388 1 1 . 1 1 71 71 LEU HA H 71 4.384 4.384 4.188 0.196 25630 389 1 1 . 1 1 71 71 LEU C C 71 173.650 173.650 175.755 -2.105 25630 390 1 1 . 1 1 71 71 LEU CA C 71 59.180 59.180 59.548 -0.368 25630 391 1 1 . 1 1 71 71 LEU CB C 71 39.573 39.573 40.036 -0.463 25630 392 1 1 . 1 1 71 71 LEU H H 71 7.180 7.180 8.542 -1.362 25630 393 1 1 . 1 1 72 72 PRO HA H 72 3.870 3.870 4.245 -0.375 25630 394 1 1 . 1 1 72 72 PRO CA C 72 67.297 67.297 65.256 2.041 25630 395 1 1 . 1 1 72 72 PRO CB C 72 30.585 30.585 30.880 -0.294 25630 396 1 1 . 1 1 73 73 ALA N N 73 119.120 119.120 119.231 -0.111 25630 397 1 1 . 1 1 73 73 ALA HA H 73 4.108 4.108 4.100 0.008 25630 398 1 1 . 1 1 73 73 ALA C C 73 181.784 181.784 179.002 2.782 25630 399 1 1 . 1 1 73 73 ALA CA C 73 54.924 54.924 54.426 0.498 25630 400 1 1 . 1 1 73 73 ALA CB C 73 17.718 17.718 18.358 -0.640 25630 401 1 1 . 1 1 73 73 ALA H H 73 7.959 7.959 7.805 0.154 25630 402 1 1 . 1 1 74 74 LYS N N 74 119.785 119.785 117.206 2.579 25630 403 1 1 . 1 1 74 74 LYS HA H 74 4.059 4.059 4.442 -0.383 25630 404 1 1 . 1 1 74 74 LYS C C 74 178.488 178.488 178.661 -0.173 25630 405 1 1 . 1 1 74 74 LYS CA C 74 58.725 58.725 57.362 1.363 25630 406 1 1 . 1 1 74 74 LYS CB C 74 32.390 32.390 33.372 -0.982 25630 407 1 1 . 1 1 74 74 LYS H H 74 8.259 8.259 7.538 0.721 25630 408 1 1 . 1 1 75 75 CYS N N 75 114.446 114.446 116.000 -1.554 25630 409 1 1 . 1 1 75 75 CYS HA H 75 4.759 4.759 4.140 0.619 25630 410 1 1 . 1 1 75 75 CYS C C 75 174.445 174.445 176.103 -1.658 25630 411 1 1 . 1 1 75 75 CYS CA C 75 52.907 52.907 61.539 -8.632 25630 412 1 1 . 1 1 75 75 CYS CB C 75 35.891 35.891 26.879 9.012 25630 413 1 1 . 1 1 75 75 CYS H H 75 7.807 7.807 8.565 -0.758 25630 414 1 1 . 1 1 76 76 GLY N N 76 110.871 110.871 102.846 8.025 25630 415 1 1 . 1 1 76 76 GLY C C 76 173.789 173.789 175.001 -1.212 25630 416 1 1 . 1 1 76 76 GLY CA C 76 46.203 46.203 44.982 1.221 25630 417 1 1 . 1 1 76 76 GLY H H 76 7.987 7.987 7.486 0.501 25630 418 1 1 . 1 1 77 77 VAL N N 77 119.259 119.259 123.573 -4.314 25630 419 1 1 . 1 1 77 77 VAL HA H 77 4.149 4.149 4.009 0.140 25630 420 1 1 . 1 1 77 77 VAL C C 77 173.606 173.606 176.433 -2.827 25630 421 1 1 . 1 1 77 77 VAL CA C 77 60.010 60.010 62.141 -2.131 25630 422 1 1 . 1 1 77 77 VAL CB C 77 33.888 33.888 30.122 3.766 25630 423 1 1 . 1 1 77 77 VAL H H 77 8.168 8.168 7.947 0.221 25630 424 1 1 . 1 1 78 78 ASN N N 78 125.739 125.739 118.357 7.382 25630 425 1 1 . 1 1 78 78 ASN HA H 78 4.687 4.687 4.458 0.229 25630 426 1 1 . 1 1 78 78 ASN C C 78 173.972 173.972 175.760 -1.788 25630 427 1 1 . 1 1 78 78 ASN CA C 78 51.804 51.804 55.328 -3.524 25630 428 1 1 . 1 1 78 78 ASN CB C 78 37.522 37.522 37.636 -0.115 25630 429 1 1 . 1 1 78 78 ASN H H 78 8.595 8.595 7.914 0.681 25630 430 1 1 . 1 1 79 79 ILE N N 79 123.269 123.269 119.589 3.680 25630 431 1 1 . 1 1 79 79 ILE HA H 79 4.407 4.407 3.954 0.453 25630 432 1 1 . 1 1 79 79 ILE C C 79 175.707 175.707 175.230 0.477 25630 433 1 1 . 1 1 79 79 ILE CA C 79 57.263 57.263 61.591 -4.328 25630 434 1 1 . 1 1 79 79 ILE CB C 79 38.692 38.692 38.031 0.661 25630 435 1 1 . 1 1 79 79 ILE H H 79 7.490 7.490 8.019 -0.529 25630 436 1 1 . 1 1 80 80 PRO HA H 80 4.545 4.545 4.405 0.140 25630 437 1 1 . 1 1 80 80 PRO C C 80 173.928 173.928 175.479 -1.551 25630 438 1 1 . 1 1 80 80 PRO CA C 80 63.769 63.769 63.400 0.369 25630 439 1 1 . 1 1 80 80 PRO CB C 80 30.333 30.333 30.620 -0.287 25630 440 1 1 . 1 1 81 81 TYR N N 81 115.596 115.596 123.481 -7.885 25630 441 1 1 . 1 1 81 81 TYR HA H 81 4.756 4.756 4.624 0.132 25630 442 1 1 . 1 1 81 81 TYR C C 81 172.554 172.554 174.182 -1.628 25630 443 1 1 . 1 1 81 81 TYR CA C 81 54.217 54.217 57.658 -3.441 25630 444 1 1 . 1 1 81 81 TYR CB C 81 39.435 39.435 41.987 -2.552 25630 445 1 1 . 1 1 81 81 TYR H H 81 6.566 6.566 7.804 -1.238 25630 446 1 1 . 1 1 82 82 LYS N N 82 118.572 118.572 120.244 -1.672 25630 447 1 1 . 1 1 82 82 LYS HA H 82 4.407 4.407 4.589 -0.182 25630 448 1 1 . 1 1 82 82 LYS C C 82 176.795 176.795 176.102 0.693 25630 449 1 1 . 1 1 82 82 LYS CA C 82 54.523 54.523 54.565 -0.042 25630 450 1 1 . 1 1 82 82 LYS CB C 82 33.584 33.584 34.339 -0.755 25630 451 1 1 . 1 1 82 82 LYS H H 82 8.170 8.170 8.437 -0.267 25630 452 1 1 . 1 1 83 83 ILE N N 83 128.219 128.219 118.807 9.412 25630 453 1 1 . 1 1 83 83 ILE HA H 83 4.059 4.059 4.445 -0.386 25630 454 1 1 . 1 1 83 83 ILE CA C 83 61.386 61.386 59.929 1.456 25630 455 1 1 . 1 1 83 83 ILE CB C 83 35.648 35.648 37.353 -1.705 25630 456 1 1 . 1 1 83 83 ILE H H 83 9.374 9.374 8.312 1.062 25630 457 1 1 . 1 1 84 84 SER N N 84 121.442 121.442 117.912 3.530 25630 458 1 1 . 1 1 84 84 SER HA H 84 4.702 4.702 4.399 0.303 25630 459 1 1 . 1 1 84 84 SER C C 84 176.398 176.398 175.169 1.229 25630 460 1 1 . 1 1 84 84 SER CA C 84 54.826 54.826 58.646 -3.820 25630 461 1 1 . 1 1 84 84 SER CB C 84 64.454 64.454 63.915 0.539 25630 462 1 1 . 1 1 84 84 SER H H 84 6.689 6.689 7.881 -1.192 25630 463 1 1 . 1 1 85 85 PRO HA H 85 4.563 4.563 4.539 0.024 25630 464 1 1 . 1 1 85 85 PRO CA C 85 63.711 63.711 64.095 -0.384 25630 465 1 1 . 1 1 85 85 PRO CB C 85 31.930 31.930 31.508 0.422 25630 466 1 1 . 1 1 86 86 SER N N 86 109.474 109.474 114.674 -5.200 25630 467 1 1 . 1 1 86 86 SER HA H 86 4.638 4.638 4.650 -0.012 25630 468 1 1 . 1 1 86 86 SER CA C 86 56.757 56.757 57.765 -1.008 25630 469 1 1 . 1 1 86 86 SER CB C 86 63.491 63.491 64.232 -0.741 25630 470 1 1 . 1 1 86 86 SER H H 86 7.947 7.947 8.138 -0.191 25630 471 1 1 . 1 1 87 87 THR HA H 87 3.809 3.809 4.095 -0.286 25630 472 1 1 . 1 1 87 87 THR C C 87 171.688 171.688 173.632 -1.944 25630 473 1 1 . 1 1 87 87 THR CA C 87 63.765 63.765 63.118 0.647 25630 474 1 1 . 1 1 87 87 THR CB C 87 69.896 69.896 69.407 0.489 25630 475 1 1 . 1 1 88 88 ASP N N 88 124.634 124.634 123.964 0.670 25630 476 1 1 . 1 1 88 88 ASP HA H 88 4.789 4.789 4.779 0.010 25630 477 1 1 . 1 1 88 88 ASP CA C 88 51.746 51.746 52.525 -0.779 25630 478 1 1 . 1 1 88 88 ASP CB C 88 38.906 38.906 43.331 -4.425 25630 479 1 1 . 1 1 88 88 ASP H H 88 8.628 8.628 8.435 0.193 25630 480 1 1 . 1 1 89 89 CYS N N 89 125.452 125.452 125.146 0.306 25630 481 1 1 . 1 1 89 89 CYS HA H 89 4.425 4.425 4.159 0.266 25630 482 1 1 . 1 1 89 89 CYS C C 89 175.346 175.346 176.080 -0.734 25630 483 1 1 . 1 1 89 89 CYS CA C 89 54.899 54.899 59.738 -4.839 25630 484 1 1 . 1 1 89 89 CYS CB C 89 36.960 36.960 26.346 10.614 25630 485 1 1 . 1 1 89 89 CYS H H 89 8.647 8.647 8.936 -0.289 25630 486 1 1 . 1 1 90 90 ASN N N 90 116.267 116.267 117.788 -1.521 25630 487 1 1 . 1 1 90 90 ASN HA H 90 4.456 4.456 4.461 -0.005 25630 488 1 1 . 1 1 90 90 ASN C C 90 175.437 175.437 176.605 -1.168 25630 489 1 1 . 1 1 90 90 ASN CA C 90 54.691 54.691 55.837 -1.146 25630 490 1 1 . 1 1 90 90 ASN CB C 90 37.607 37.607 38.560 -0.953 25630 491 1 1 . 1 1 90 90 ASN H H 90 8.348 8.348 8.405 -0.057 25630 492 1 1 . 1 1 91 91 ARG N N 91 115.341 115.341 118.808 -3.467 25630 493 1 1 . 1 1 91 91 ARG HA H 91 4.322 4.322 4.278 0.044 25630 494 1 1 . 1 1 91 91 ARG C C 91 175.783 175.783 177.155 -1.372 25630 495 1 1 . 1 1 91 91 ARG CA C 91 54.915 54.915 56.753 -1.838 25630 496 1 1 . 1 1 91 91 ARG CB C 91 30.145 30.145 30.917 -0.772 25630 497 1 1 . 1 1 91 91 ARG H H 91 7.133 7.133 8.016 -0.883 25630 498 1 1 . 1 1 92 92 VAL N N 92 121.309 121.309 121.191 0.118 25630 499 1 1 . 1 1 92 92 VAL HA H 92 3.949 3.949 3.900 0.049 25630 500 1 1 . 1 1 92 92 VAL C C 92 174.084 174.084 175.729 -1.645 25630 501 1 1 . 1 1 92 92 VAL CA C 92 62.875 62.875 62.217 0.658 25630 502 1 1 . 1 1 92 92 VAL CB C 92 32.316 32.316 29.846 2.470 25630 503 1 1 . 1 1 92 92 VAL H H 92 6.990 6.990 7.824 -0.834 25630 504 1 2 . 1 1 2 2 THR N N 2 113.980 113.980 113.310 0.670 25630 505 1 2 . 1 1 2 2 THR HA H 2 4.807 4.807 4.428 0.379 25630 506 1 2 . 1 1 2 2 THR C C 2 175.361 175.361 176.211 -0.850 25630 507 1 2 . 1 1 2 2 THR CA C 2 58.659 58.659 61.582 -2.923 25630 508 1 2 . 1 1 2 2 THR CB C 2 71.525 71.525 70.622 0.903 25630 509 1 2 . 1 1 2 2 THR H H 2 8.298 8.298 8.152 0.146 25630 510 1 2 . 1 1 3 3 CYS N N 3 116.929 116.929 123.218 -6.289 25630 511 1 2 . 1 1 3 3 CYS HA H 3 4.720 4.720 4.102 0.618 25630 512 1 2 . 1 1 3 3 CYS CA C 3 54.110 54.110 61.857 -7.747 25630 513 1 2 . 1 1 3 3 CYS CB C 3 31.416 31.416 26.254 5.162 25630 514 1 2 . 1 1 3 3 CYS H H 3 9.330 9.330 8.832 0.498 25630 515 1 2 . 1 1 4 4 GLY N N 4 110.525 110.525 107.985 2.540 25630 516 1 2 . 1 1 4 4 GLY CA C 4 46.883 46.883 47.220 -0.337 25630 517 1 2 . 1 1 4 4 GLY H H 4 8.739 8.739 7.909 0.830 25630 518 1 2 . 1 1 5 5 GLN N N 5 121.402 121.402 121.203 0.199 25630 519 1 2 . 1 1 5 5 GLN HA H 5 4.122 4.122 4.208 -0.086 25630 520 1 2 . 1 1 5 5 GLN C C 5 178.604 178.604 178.803 -0.199 25630 521 1 2 . 1 1 5 5 GLN CA C 5 58.066 58.066 57.405 0.661 25630 522 1 2 . 1 1 5 5 GLN CB C 5 28.797 28.797 28.043 0.754 25630 523 1 2 . 1 1 5 5 GLN H H 5 7.651 7.651 7.865 -0.214 25630 524 1 2 . 1 1 6 6 VAL N N 6 120.864 120.864 120.292 0.572 25630 525 1 2 . 1 1 6 6 VAL HA H 6 3.622 3.622 3.544 0.078 25630 526 1 2 . 1 1 6 6 VAL C C 6 176.268 176.268 178.090 -1.822 25630 527 1 2 . 1 1 6 6 VAL CA C 6 65.939 65.939 66.603 -0.664 25630 528 1 2 . 1 1 6 6 VAL CB C 6 31.034 31.034 31.320 -0.285 25630 529 1 2 . 1 1 6 6 VAL H H 6 7.566 7.566 8.333 -0.767 25630 530 1 2 . 1 1 7 7 THR N N 7 113.871 113.871 113.961 -0.090 25630 531 1 2 . 1 1 7 7 THR HA H 7 3.697 3.697 3.956 -0.259 25630 532 1 2 . 1 1 7 7 THR CA C 7 65.959 65.959 66.528 -0.569 25630 533 1 2 . 1 1 7 7 THR CB C 7 68.108 68.108 68.281 -0.173 25630 534 1 2 . 1 1 7 7 THR H H 7 8.835 8.835 7.816 1.019 25630 535 1 2 . 1 1 8 8 GLY N N 8 108.517 108.517 108.441 0.076 25630 536 1 2 . 1 1 8 8 GLY C C 8 175.828 175.828 174.805 1.023 25630 537 1 2 . 1 1 8 8 GLY CA C 8 46.675 46.675 46.383 0.292 25630 538 1 2 . 1 1 8 8 GLY H H 8 7.900 7.900 7.505 0.395 25630 539 1 2 . 1 1 9 9 ALA N N 9 123.446 123.446 123.361 0.085 25630 540 1 2 . 1 1 9 9 ALA HA H 9 4.160 4.160 4.248 -0.088 25630 541 1 2 . 1 1 9 9 ALA C C 9 177.583 177.583 178.681 -1.098 25630 542 1 2 . 1 1 9 9 ALA CA C 9 54.053 54.053 53.701 0.352 25630 543 1 2 . 1 1 9 9 ALA CB C 9 17.914 17.914 19.567 -1.653 25630 544 1 2 . 1 1 9 9 ALA H H 9 7.483 7.483 7.680 -0.197 25630 545 1 2 . 1 1 10 10 LEU N N 10 112.012 112.012 118.252 -6.240 25630 546 1 2 . 1 1 10 10 LEU HA H 10 4.156 4.156 4.456 -0.300 25630 547 1 2 . 1 1 10 10 LEU C C 10 177.573 177.573 177.511 0.062 25630 548 1 2 . 1 1 10 10 LEU CA C 10 53.384 53.384 54.480 -1.096 25630 549 1 2 . 1 1 10 10 LEU CB C 10 42.102 42.102 41.700 0.402 25630 550 1 2 . 1 1 10 10 LEU H H 10 7.279 7.279 7.815 -0.536 25630 551 1 2 . 1 1 11 11 ALA N N 11 124.705 124.705 124.432 0.273 25630 552 1 2 . 1 1 11 11 ALA HA H 11 4.251 4.251 4.198 0.053 25630 553 1 2 . 1 1 11 11 ALA C C 11 176.754 176.754 176.883 -0.129 25630 554 1 2 . 1 1 11 11 ALA CA C 11 56.645 56.645 56.323 0.322 25630 555 1 2 . 1 1 11 11 ALA CB C 11 15.503 15.503 16.487 -0.984 25630 556 1 2 . 1 1 11 11 ALA H H 11 7.517 7.517 7.666 -0.149 25630 557 1 2 . 1 1 12 12 PRO HA H 12 4.663 4.663 4.512 0.151 25630 558 1 2 . 1 1 12 12 PRO CA C 12 64.423 64.423 64.291 0.132 25630 559 1 2 . 1 1 12 12 PRO CB C 12 31.214 31.214 30.913 0.301 25630 560 1 2 . 1 1 13 13 CYS N N 13 114.976 114.976 116.739 -1.763 25630 561 1 2 . 1 1 13 13 CYS HA H 13 4.618 4.618 4.552 0.066 25630 562 1 2 . 1 1 13 13 CYS C C 13 174.583 174.583 176.368 -1.785 25630 563 1 2 . 1 1 13 13 CYS CA C 13 53.992 53.992 60.177 -6.185 25630 564 1 2 . 1 1 13 13 CYS CB C 13 42.898 42.898 28.040 14.858 25630 565 1 2 . 1 1 13 13 CYS H H 13 8.801 8.801 7.398 1.403 25630 566 1 2 . 1 1 14 14 LEU N N 14 121.119 121.119 121.410 -0.291 25630 567 1 2 . 1 1 14 14 LEU HA H 14 3.817 3.817 3.904 -0.087 25630 568 1 2 . 1 1 14 14 LEU C C 14 177.057 177.057 179.072 -2.015 25630 569 1 2 . 1 1 14 14 LEU CA C 14 59.303 59.303 58.045 1.258 25630 570 1 2 . 1 1 14 14 LEU CB C 14 40.871 40.871 41.125 -0.254 25630 571 1 2 . 1 1 14 14 LEU H H 14 7.665 7.665 7.725 -0.060 25630 572 1 2 . 1 1 15 15 GLY N N 15 105.845 105.845 107.214 -1.369 25630 573 1 2 . 1 1 15 15 GLY C C 15 176.947 176.947 175.342 1.605 25630 574 1 2 . 1 1 15 15 GLY CA C 15 46.859 46.859 46.817 0.042 25630 575 1 2 . 1 1 15 15 GLY H H 15 8.322 8.322 8.129 0.193 25630 576 1 2 . 1 1 16 16 TYR N N 16 125.900 125.900 123.034 2.866 25630 577 1 2 . 1 1 16 16 TYR HA H 16 4.004 4.004 4.287 -0.283 25630 578 1 2 . 1 1 16 16 TYR C C 16 177.192 177.192 177.718 -0.526 25630 579 1 2 . 1 1 16 16 TYR CA C 16 61.361 61.361 59.944 1.417 25630 580 1 2 . 1 1 16 16 TYR CB C 16 37.906 37.906 38.455 -0.549 25630 581 1 2 . 1 1 16 16 TYR H H 16 8.650 8.650 7.609 1.041 25630 582 1 2 . 1 1 17 17 LEU N N 17 117.280 117.280 117.655 -0.375 25630 583 1 2 . 1 1 17 17 LEU HA H 17 3.792 3.792 3.947 -0.155 25630 584 1 2 . 1 1 17 17 LEU C C 17 175.010 175.010 178.353 -3.343 25630 585 1 2 . 1 1 17 17 LEU CA C 17 56.221 56.221 57.523 -1.302 25630 586 1 2 . 1 1 17 17 LEU CB C 17 41.476 41.476 41.649 -0.173 25630 587 1 2 . 1 1 17 17 LEU H H 17 8.419 8.419 8.279 0.140 25630 588 1 2 . 1 1 18 18 ARG N N 18 115.416 115.416 115.338 0.078 25630 589 1 2 . 1 1 18 18 ARG HA H 18 4.579 4.579 4.623 -0.044 25630 590 1 2 . 1 1 18 18 ARG C C 18 175.874 175.874 176.263 -0.389 25630 591 1 2 . 1 1 18 18 ARG CA C 18 55.322 55.322 56.216 -0.894 25630 592 1 2 . 1 1 18 18 ARG CB C 18 30.375 30.375 30.421 -0.046 25630 593 1 2 . 1 1 18 18 ARG H H 18 7.212 7.212 7.451 -0.239 25630 594 1 2 . 1 1 19 19 THR N N 19 117.095 117.095 115.825 1.270 25630 595 1 2 . 1 1 19 19 THR HA H 19 4.296 4.296 4.417 -0.121 25630 596 1 2 . 1 1 19 19 THR C C 19 173.038 173.038 175.444 -2.406 25630 597 1 2 . 1 1 19 19 THR CA C 19 62.270 62.270 62.096 0.174 25630 598 1 2 . 1 1 19 19 THR CB C 19 69.436 69.436 70.106 -0.670 25630 599 1 2 . 1 1 19 19 THR H H 19 7.462 7.462 7.137 0.325 25630 600 1 2 . 1 1 20 20 ALA N N 20 128.239 128.239 126.121 2.118 25630 601 1 2 . 1 1 20 20 ALA HA H 20 4.151 4.151 3.991 0.160 25630 602 1 2 . 1 1 20 20 ALA C C 20 177.148 177.148 177.529 -0.381 25630 603 1 2 . 1 1 20 20 ALA CA C 20 52.378 52.378 54.671 -2.293 25630 604 1 2 . 1 1 20 20 ALA CB C 20 18.697 18.697 18.858 -0.161 25630 605 1 2 . 1 1 20 20 ALA H H 20 8.607 8.607 8.467 0.140 25630 606 1 2 . 1 1 21 21 GLY N N 21 106.473 106.473 104.213 2.260 25630 607 1 2 . 1 1 21 21 GLY C C 21 173.046 173.046 173.160 -0.114 25630 608 1 2 . 1 1 21 21 GLY CA C 21 44.516 44.516 44.836 -0.320 25630 609 1 2 . 1 1 21 21 GLY H H 21 8.207 8.207 7.760 0.447 25630 610 1 2 . 1 1 22 22 SER N N 22 115.592 115.592 118.616 -3.024 25630 611 1 2 . 1 1 22 22 SER HA H 22 4.684 4.684 4.479 0.205 25630 612 1 2 . 1 1 22 22 SER CA C 22 56.763 56.763 59.395 -2.632 25630 613 1 2 . 1 1 22 22 SER CB C 22 62.875 62.875 62.729 0.146 25630 614 1 2 . 1 1 22 22 SER H H 22 8.177 8.177 8.191 -0.014 25630 615 1 2 . 1 1 23 23 VAL N N 23 120.568 120.568 121.527 -0.959 25630 616 1 2 . 1 1 23 23 VAL HA H 23 4.817 4.817 4.429 0.388 25630 617 1 2 . 1 1 23 23 VAL CA C 23 58.256 58.256 59.716 -1.460 25630 618 1 2 . 1 1 23 23 VAL CB C 23 32.614 32.614 33.389 -0.776 25630 619 1 2 . 1 1 23 23 VAL H H 23 8.110 8.110 7.945 0.165 25630 620 1 2 . 1 1 24 24 PRO HA H 24 4.400 4.400 4.581 -0.181 25630 621 1 2 . 1 1 24 24 PRO CA C 24 62.104 62.104 62.872 -0.768 25630 622 1 2 . 1 1 24 24 PRO CB C 24 31.625 31.625 31.899 -0.275 25630 623 1 2 . 1 1 25 25 VAL N N 25 122.444 122.444 123.070 -0.626 25630 624 1 2 . 1 1 25 25 VAL HA H 25 3.666 3.666 3.303 0.363 25630 625 1 2 . 1 1 25 25 VAL C C 25 174.735 174.735 174.825 -0.090 25630 626 1 2 . 1 1 25 25 VAL CA C 25 58.474 58.474 61.211 -2.737 25630 627 1 2 . 1 1 25 25 VAL CB C 25 32.625 32.625 31.934 0.691 25630 628 1 2 . 1 1 25 25 VAL H H 25 8.187 8.187 8.175 0.012 25630 629 1 2 . 1 1 26 26 PRO HA H 26 4.437 4.437 4.422 0.015 25630 630 1 2 . 1 1 26 26 PRO CA C 26 62.431 62.431 62.431 0.000 25630 631 1 2 . 1 1 26 26 PRO CB C 26 32.069 32.069 32.194 -0.124 25630 632 1 2 . 1 1 27 27 LEU N N 27 128.747 128.747 126.254 2.493 25630 633 1 2 . 1 1 27 27 LEU HA H 27 3.982 3.982 4.053 -0.071 25630 634 1 2 . 1 1 27 27 LEU C C 27 178.619 178.619 178.573 0.046 25630 635 1 2 . 1 1 27 27 LEU CA C 27 58.471 58.471 58.872 -0.401 25630 636 1 2 . 1 1 27 27 LEU CB C 27 41.085 41.085 40.127 0.958 25630 637 1 2 . 1 1 27 27 LEU H H 27 8.871 8.871 8.649 0.222 25630 638 1 2 . 1 1 28 28 THR N N 28 107.667 107.667 112.116 -4.449 25630 639 1 2 . 1 1 28 28 THR HA H 28 3.962 3.962 4.022 -0.060 25630 640 1 2 . 1 1 28 28 THR C C 28 177.771 177.771 176.476 1.295 25630 641 1 2 . 1 1 28 28 THR CA C 28 64.160 64.160 65.497 -1.337 25630 642 1 2 . 1 1 28 28 THR CB C 28 67.597 67.597 67.706 -0.109 25630 643 1 2 . 1 1 28 28 THR H H 28 8.219 8.219 8.393 -0.174 25630 644 1 2 . 1 1 29 29 CYS N N 29 118.564 118.564 120.494 -1.930 25630 645 1 2 . 1 1 29 29 CYS HA H 29 4.471 4.471 4.343 0.128 25630 646 1 2 . 1 1 29 29 CYS C C 29 175.191 175.191 176.827 -1.636 25630 647 1 2 . 1 1 29 29 CYS CA C 29 58.136 58.136 60.459 -2.323 25630 648 1 2 . 1 1 29 29 CYS CB C 29 37.170 37.170 25.422 11.748 25630 649 1 2 . 1 1 29 29 CYS H H 29 7.177 7.177 7.983 -0.806 25630 650 1 2 . 1 1 30 30 CYS N N 30 117.371 117.371 121.064 -3.693 25630 651 1 2 . 1 1 30 30 CYS HA H 30 4.656 4.656 4.042 0.614 25630 652 1 2 . 1 1 30 30 CYS C C 30 177.101 177.101 177.282 -0.181 25630 653 1 2 . 1 1 30 30 CYS CA C 30 54.440 54.440 63.755 -9.316 25630 654 1 2 . 1 1 30 30 CYS CB C 30 31.989 31.989 25.727 6.262 25630 655 1 2 . 1 1 30 30 CYS H H 30 7.522 7.522 8.130 -0.608 25630 656 1 2 . 1 1 31 31 ASN N N 31 119.039 119.039 118.563 0.476 25630 657 1 2 . 1 1 31 31 ASN HA H 31 4.468 4.468 4.398 0.070 25630 658 1 2 . 1 1 31 31 ASN C C 31 178.119 178.119 177.778 0.341 25630 659 1 2 . 1 1 31 31 ASN CA C 31 55.778 55.778 56.849 -1.071 25630 660 1 2 . 1 1 31 31 ASN CB C 31 36.964 36.964 37.737 -0.773 25630 661 1 2 . 1 1 31 31 ASN H H 31 8.703 8.703 8.163 0.540 25630 662 1 2 . 1 1 32 32 GLY N N 32 111.440 111.440 108.112 3.328 25630 663 1 2 . 1 1 32 32 GLY C C 32 175.147 175.147 176.047 -0.900 25630 664 1 2 . 1 1 32 32 GLY CA C 32 47.058 47.058 46.727 0.331 25630 665 1 2 . 1 1 32 32 GLY H H 32 7.744 7.744 7.704 0.040 25630 666 1 2 . 1 1 33 33 VAL N N 33 122.106 122.106 123.171 -1.065 25630 667 1 2 . 1 1 33 33 VAL HA H 33 3.470 3.470 3.545 -0.075 25630 668 1 2 . 1 1 33 33 VAL C C 33 177.344 177.344 177.536 -0.192 25630 669 1 2 . 1 1 33 33 VAL CA C 33 66.135 66.135 66.578 -0.443 25630 670 1 2 . 1 1 33 33 VAL CB C 33 31.530 31.530 31.357 0.173 25630 671 1 2 . 1 1 33 33 VAL H H 33 8.139 8.139 7.734 0.405 25630 672 1 2 . 1 1 34 34 ARG N N 34 119.957 119.957 119.877 0.080 25630 673 1 2 . 1 1 34 34 ARG HA H 34 3.869 3.869 3.953 -0.084 25630 674 1 2 . 1 1 34 34 ARG C C 34 178.641 178.641 178.779 -0.138 25630 675 1 2 . 1 1 34 34 ARG CA C 34 59.563 59.563 59.487 0.076 25630 676 1 2 . 1 1 34 34 ARG CB C 34 29.978 29.978 29.572 0.406 25630 677 1 2 . 1 1 34 34 ARG H H 34 8.452 8.452 8.698 -0.246 25630 678 1 2 . 1 1 35 35 GLY N N 35 106.891 106.891 106.682 0.209 25630 679 1 2 . 1 1 35 35 GLY C C 35 176.413 176.413 176.364 0.049 25630 680 1 2 . 1 1 35 35 GLY CA C 35 46.653 46.653 46.509 0.144 25630 681 1 2 . 1 1 35 35 GLY H H 35 8.062 8.062 7.776 0.286 25630 682 1 2 . 1 1 36 36 LEU N N 36 123.784 123.784 123.224 0.560 25630 683 1 2 . 1 1 36 36 LEU HA H 36 4.077 4.077 3.871 0.206 25630 684 1 2 . 1 1 36 36 LEU C C 36 177.848 177.848 178.356 -0.508 25630 685 1 2 . 1 1 36 36 LEU CA C 36 57.160 57.160 58.112 -0.952 25630 686 1 2 . 1 1 36 36 LEU CB C 36 41.162 41.162 41.613 -0.451 25630 687 1 2 . 1 1 36 36 LEU H H 36 8.119 8.119 7.802 0.317 25630 688 1 2 . 1 1 37 37 ASN N N 37 116.442 116.442 117.427 -0.985 25630 689 1 2 . 1 1 37 37 ASN HA H 37 4.507 4.507 4.316 0.191 25630 690 1 2 . 1 1 37 37 ASN C C 37 176.799 176.799 177.321 -0.522 25630 691 1 2 . 1 1 37 37 ASN CA C 37 55.501 55.501 56.768 -1.267 25630 692 1 2 . 1 1 37 37 ASN CB C 37 38.980 38.980 38.504 0.476 25630 693 1 2 . 1 1 37 37 ASN H H 37 7.847 7.847 8.218 -0.371 25630 694 1 2 . 1 1 38 38 ASN N N 38 115.049 115.049 117.779 -2.730 25630 695 1 2 . 1 1 38 38 ASN HA H 38 4.421 4.421 4.692 -0.271 25630 696 1 2 . 1 1 38 38 ASN C C 38 175.620 175.620 176.594 -0.974 25630 697 1 2 . 1 1 38 38 ASN CA C 38 54.393 54.393 54.689 -0.296 25630 698 1 2 . 1 1 38 38 ASN CB C 38 38.079 38.079 38.689 -0.610 25630 699 1 2 . 1 1 38 38 ASN H H 38 7.982 7.982 7.773 0.209 25630 700 1 2 . 1 1 39 39 ALA N N 39 119.826 119.826 122.105 -2.279 25630 701 1 2 . 1 1 39 39 ALA HA H 39 4.269 4.269 4.211 0.058 25630 702 1 2 . 1 1 39 39 ALA C C 39 176.587 176.587 177.763 -1.176 25630 703 1 2 . 1 1 39 39 ALA CA C 39 52.527 52.527 53.570 -1.043 25630 704 1 2 . 1 1 39 39 ALA CB C 39 18.507 18.507 19.204 -0.697 25630 705 1 2 . 1 1 39 39 ALA H H 39 7.624 7.624 7.964 -0.340 25630 706 1 2 . 1 1 40 40 ALA N N 40 120.950 120.950 120.391 0.559 25630 707 1 2 . 1 1 40 40 ALA HA H 40 4.642 4.642 4.356 0.286 25630 708 1 2 . 1 1 40 40 ALA C C 40 174.615 174.615 176.523 -1.908 25630 709 1 2 . 1 1 40 40 ALA CA C 40 50.169 50.169 51.436 -1.267 25630 710 1 2 . 1 1 40 40 ALA CB C 40 17.604 17.604 18.987 -1.383 25630 711 1 2 . 1 1 40 40 ALA H H 40 7.290 7.290 8.020 -0.730 25630 712 1 2 . 1 1 41 41 ARG N N 41 122.802 122.802 124.975 -2.173 25630 713 1 2 . 1 1 41 41 ARG HA H 41 4.478 4.478 4.347 0.131 25630 714 1 2 . 1 1 41 41 ARG C C 41 176.177 176.177 175.539 0.638 25630 715 1 2 . 1 1 41 41 ARG CA C 41 56.365 56.365 56.683 -0.318 25630 716 1 2 . 1 1 41 41 ARG CB C 41 31.618 31.618 31.138 0.480 25630 717 1 2 . 1 1 41 41 ARG H H 41 9.046 9.046 8.425 0.621 25630 718 1 2 . 1 1 42 42 THR N N 42 108.733 108.733 111.155 -2.422 25630 719 1 2 . 1 1 42 42 THR HA H 42 4.740 4.740 4.500 0.240 25630 720 1 2 . 1 1 42 42 THR C C 42 174.689 174.689 175.600 -0.911 25630 721 1 2 . 1 1 42 42 THR CA C 42 58.871 58.871 60.751 -1.880 25630 722 1 2 . 1 1 42 42 THR CB C 42 72.072 72.072 70.832 1.240 25630 723 1 2 . 1 1 42 42 THR H H 42 7.739 7.739 7.588 0.151 25630 724 1 2 . 1 1 43 43 THR N N 43 119.812 119.812 120.996 -1.184 25630 725 1 2 . 1 1 43 43 THR HA H 43 3.847 3.847 4.249 -0.402 25630 726 1 2 . 1 1 43 43 THR C C 43 175.620 175.620 176.630 -1.010 25630 727 1 2 . 1 1 43 43 THR CA C 43 67.260 67.260 66.873 0.387 25630 728 1 2 . 1 1 43 43 THR CB C 43 68.592 68.592 68.814 -0.222 25630 729 1 2 . 1 1 43 43 THR H H 43 8.836 8.836 8.610 0.226 25630 730 1 2 . 1 1 44 44 ILE N N 44 118.906 118.906 121.691 -2.785 25630 731 1 2 . 1 1 44 44 ILE HA H 44 3.757 3.757 3.690 0.067 25630 732 1 2 . 1 1 44 44 ILE C C 44 178.108 178.108 177.865 0.243 25630 733 1 2 . 1 1 44 44 ILE CA C 44 63.926 63.926 64.067 -0.141 25630 734 1 2 . 1 1 44 44 ILE CB C 44 37.142 37.142 37.361 -0.219 25630 735 1 2 . 1 1 44 44 ILE H H 44 8.101 8.101 7.849 0.252 25630 736 1 2 . 1 1 45 45 ASP N N 45 122.298 122.298 119.833 2.465 25630 737 1 2 . 1 1 45 45 ASP HA H 45 4.425 4.425 4.256 0.169 25630 738 1 2 . 1 1 45 45 ASP C C 45 177.785 177.785 179.161 -1.376 25630 739 1 2 . 1 1 45 45 ASP CA C 45 57.295 57.295 57.661 -0.367 25630 740 1 2 . 1 1 45 45 ASP CB C 45 40.548 40.548 40.195 0.353 25630 741 1 2 . 1 1 45 45 ASP H H 45 7.680 7.680 8.200 -0.520 25630 742 1 2 . 1 1 46 46 ARG N N 46 120.337 120.337 118.639 1.698 25630 743 1 2 . 1 1 46 46 ARG HA H 46 3.876 3.876 3.939 -0.063 25630 744 1 2 . 1 1 46 46 ARG C C 46 177.807 177.807 178.954 -1.147 25630 745 1 2 . 1 1 46 46 ARG CA C 46 60.277 60.277 59.736 0.541 25630 746 1 2 . 1 1 46 46 ARG CB C 46 30.939 30.939 30.229 0.710 25630 747 1 2 . 1 1 46 46 ARG H H 46 8.515 8.515 7.832 0.683 25630 748 1 2 . 1 1 47 47 ARG N N 47 119.948 119.948 118.860 1.088 25630 749 1 2 . 1 1 47 47 ARG HA H 47 3.665 3.665 4.086 -0.421 25630 750 1 2 . 1 1 47 47 ARG C C 47 178.290 178.290 178.976 -0.686 25630 751 1 2 . 1 1 47 47 ARG CA C 47 60.686 60.686 59.760 0.927 25630 752 1 2 . 1 1 47 47 ARG CB C 47 29.376 29.376 29.844 -0.468 25630 753 1 2 . 1 1 47 47 ARG H H 47 8.514 8.514 8.003 0.511 25630 754 1 2 . 1 1 48 48 THR N N 48 117.694 117.694 116.902 0.792 25630 755 1 2 . 1 1 48 48 THR HA H 48 3.942 3.942 3.941 0.001 25630 756 1 2 . 1 1 48 48 THR C C 48 175.681 175.681 176.345 -0.664 25630 757 1 2 . 1 1 48 48 THR CA C 48 66.372 66.372 66.919 -0.548 25630 758 1 2 . 1 1 48 48 THR CB C 48 68.274 68.274 68.562 -0.288 25630 759 1 2 . 1 1 48 48 THR H H 48 8.269 8.269 8.372 -0.103 25630 760 1 2 . 1 1 49 49 ALA N N 49 124.040 124.040 123.553 0.487 25630 761 1 2 . 1 1 49 49 ALA HA H 49 3.654 3.654 4.165 -0.511 25630 762 1 2 . 1 1 49 49 ALA C C 49 177.390 177.390 179.322 -1.932 25630 763 1 2 . 1 1 49 49 ALA CA C 49 55.805 55.805 55.312 0.492 25630 764 1 2 . 1 1 49 49 ALA CB C 49 16.984 16.984 17.959 -0.975 25630 765 1 2 . 1 1 49 49 ALA H H 49 8.550 8.550 7.792 0.758 25630 766 1 2 . 1 1 50 50 CYS N N 50 116.329 116.329 118.410 -2.081 25630 767 1 2 . 1 1 50 50 CYS HA H 50 3.545 3.545 4.005 -0.460 25630 768 1 2 . 1 1 50 50 CYS C C 50 175.828 175.828 176.981 -1.153 25630 769 1 2 . 1 1 50 50 CYS CA C 50 60.131 60.131 62.902 -2.771 25630 770 1 2 . 1 1 50 50 CYS CB C 50 34.259 34.259 25.878 8.381 25630 771 1 2 . 1 1 50 50 CYS H H 50 7.989 7.989 8.404 -0.415 25630 772 1 2 . 1 1 51 51 ASN N N 51 120.444 120.444 119.238 1.206 25630 773 1 2 . 1 1 51 51 ASN HA H 51 4.378 4.378 4.424 -0.046 25630 774 1 2 . 1 1 51 51 ASN C C 51 178.199 178.199 177.371 0.828 25630 775 1 2 . 1 1 51 51 ASN CA C 51 56.565 56.565 57.152 -0.587 25630 776 1 2 . 1 1 51 51 ASN CB C 51 38.593 38.593 37.891 0.702 25630 777 1 2 . 1 1 51 51 ASN H H 51 8.323 8.323 8.517 -0.194 25630 778 1 2 . 1 1 52 52 CYS N N 52 119.488 119.488 119.877 -0.389 25630 779 1 2 . 1 1 52 52 CYS HA H 52 4.373 4.373 4.036 0.337 25630 780 1 2 . 1 1 52 52 CYS C C 52 177.254 177.254 176.991 0.263 25630 781 1 2 . 1 1 52 52 CYS CA C 52 57.075 57.075 62.741 -5.666 25630 782 1 2 . 1 1 52 52 CYS CB C 52 36.261 36.261 26.010 10.251 25630 783 1 2 . 1 1 52 52 CYS H H 52 8.782 8.782 7.599 1.183 25630 784 1 2 . 1 1 53 53 LEU N N 53 122.617 122.617 119.064 3.553 25630 785 1 2 . 1 1 53 53 LEU HA H 53 3.901 3.901 3.976 -0.075 25630 786 1 2 . 1 1 53 53 LEU C C 53 177.359 177.359 178.738 -1.379 25630 787 1 2 . 1 1 53 53 LEU CA C 53 57.761 57.761 57.502 0.259 25630 788 1 2 . 1 1 53 53 LEU CB C 53 41.156 41.156 41.748 -0.592 25630 789 1 2 . 1 1 53 53 LEU H H 53 8.549 8.549 8.206 0.343 25630 790 1 2 . 1 1 54 54 LYS N N 54 122.313 122.313 120.295 2.018 25630 791 1 2 . 1 1 54 54 LYS HA H 54 4.000 4.000 3.900 0.100 25630 792 1 2 . 1 1 54 54 LYS C C 54 178.656 178.656 179.133 -0.477 25630 793 1 2 . 1 1 54 54 LYS CA C 54 59.520 59.520 59.579 -0.059 25630 794 1 2 . 1 1 54 54 LYS CB C 54 33.175 33.175 31.926 1.249 25630 795 1 2 . 1 1 54 54 LYS H H 54 8.409 8.409 8.371 0.038 25630 796 1 2 . 1 1 55 55 GLN N N 55 117.604 117.604 117.938 -0.334 25630 797 1 2 . 1 1 55 55 GLN HA H 55 4.122 4.122 4.077 0.045 25630 798 1 2 . 1 1 55 55 GLN C C 55 179.074 179.074 178.476 0.598 25630 799 1 2 . 1 1 55 55 GLN CA C 55 58.354 58.354 59.093 -0.739 25630 800 1 2 . 1 1 55 55 GLN CB C 55 27.875 27.875 28.625 -0.750 25630 801 1 2 . 1 1 55 55 GLN H H 55 7.735 7.735 7.950 -0.215 25630 802 1 2 . 1 1 56 56 THR N N 56 118.464 118.464 116.475 1.989 25630 803 1 2 . 1 1 56 56 THR HA H 56 3.884 3.884 3.914 -0.030 25630 804 1 2 . 1 1 56 56 THR C C 56 175.389 175.389 176.304 -0.915 25630 805 1 2 . 1 1 56 56 THR CA C 56 66.829 66.829 66.342 0.487 25630 806 1 2 . 1 1 56 56 THR CB C 56 68.401 68.401 68.747 -0.346 25630 807 1 2 . 1 1 56 56 THR H H 56 8.091 8.091 7.438 0.653 25630 808 1 2 . 1 1 57 57 ALA N N 57 121.609 121.609 122.743 -1.134 25630 809 1 2 . 1 1 57 57 ALA HA H 57 3.852 3.852 4.045 -0.193 25630 810 1 2 . 1 1 57 57 ALA C C 57 178.061 178.061 179.151 -1.090 25630 811 1 2 . 1 1 57 57 ALA CA C 57 54.457 54.457 54.987 -0.530 25630 812 1 2 . 1 1 57 57 ALA CB C 57 16.448 16.448 18.275 -1.827 25630 813 1 2 . 1 1 57 57 ALA H H 57 8.619 8.619 7.937 0.682 25630 814 1 2 . 1 1 58 58 ASN N N 58 113.169 113.169 114.846 -1.677 25630 815 1 2 . 1 1 58 58 ASN HA H 58 4.446 4.446 4.536 -0.090 25630 816 1 2 . 1 1 58 58 ASN C C 58 174.706 174.706 176.002 -1.296 25630 817 1 2 . 1 1 58 58 ASN CA C 58 54.894 54.894 55.126 -0.232 25630 818 1 2 . 1 1 58 58 ASN CB C 58 39.606 39.606 38.818 0.788 25630 819 1 2 . 1 1 58 58 ASN H H 58 7.695 7.695 7.867 -0.172 25630 820 1 2 . 1 1 59 59 ALA N N 59 119.952 119.952 121.068 -1.116 25630 821 1 2 . 1 1 59 59 ALA HA H 59 4.382 4.382 4.383 -0.001 25630 822 1 2 . 1 1 59 59 ALA C C 59 176.966 176.966 177.780 -0.814 25630 823 1 2 . 1 1 59 59 ALA CA C 59 52.142 52.142 52.239 -0.097 25630 824 1 2 . 1 1 59 59 ALA CB C 59 19.235 19.235 20.182 -0.947 25630 825 1 2 . 1 1 59 59 ALA H H 59 7.506 7.506 7.709 -0.203 25630 826 1 2 . 1 1 60 60 ILE N N 60 120.027 120.027 121.285 -1.258 25630 827 1 2 . 1 1 60 60 ILE HA H 60 4.067 4.067 3.826 0.241 25630 828 1 2 . 1 1 60 60 ILE C C 60 175.009 175.009 176.469 -1.460 25630 829 1 2 . 1 1 60 60 ILE CA C 60 60.557 60.557 62.419 -1.862 25630 830 1 2 . 1 1 60 60 ILE CB C 60 37.427 37.427 36.625 0.802 25630 831 1 2 . 1 1 60 60 ILE H H 60 7.184 7.184 8.298 -1.114 25630 832 1 2 . 1 1 61 61 ALA N N 61 130.970 130.970 130.640 0.330 25630 833 1 2 . 1 1 61 61 ALA HA H 61 4.151 4.151 4.111 0.040 25630 834 1 2 . 1 1 61 61 ALA C C 61 177.709 177.709 177.493 0.216 25630 835 1 2 . 1 1 61 61 ALA CA C 61 53.789 53.789 54.023 -0.234 25630 836 1 2 . 1 1 61 61 ALA CB C 61 18.322 18.322 18.385 -0.063 25630 837 1 2 . 1 1 61 61 ALA H H 61 8.486 8.486 8.711 -0.225 25630 838 1 2 . 1 1 62 62 ASP N N 62 114.991 114.991 116.294 -1.303 25630 839 1 2 . 1 1 62 62 ASP HA H 62 4.479 4.479 4.745 -0.266 25630 840 1 2 . 1 1 62 62 ASP C C 62 174.354 174.354 174.955 -0.601 25630 841 1 2 . 1 1 62 62 ASP CA C 62 52.461 52.461 53.240 -0.779 25630 842 1 2 . 1 1 62 62 ASP CB C 62 37.900 37.900 40.729 -2.829 25630 843 1 2 . 1 1 62 62 ASP H H 62 8.543 8.543 8.068 0.475 25630 844 1 2 . 1 1 63 63 LEU N N 63 118.657 118.657 123.320 -4.663 25630 845 1 2 . 1 1 63 63 LEU HA H 63 3.766 3.766 4.151 -0.385 25630 846 1 2 . 1 1 63 63 LEU C C 63 175.646 175.646 175.614 0.032 25630 847 1 2 . 1 1 63 63 LEU CA C 63 55.561 55.561 55.267 0.294 25630 848 1 2 . 1 1 63 63 LEU CB C 63 42.180 42.180 41.738 0.442 25630 849 1 2 . 1 1 63 63 LEU H H 63 7.012 7.012 7.818 -0.806 25630 850 1 2 . 1 1 64 64 ASN N N 64 125.123 125.123 126.467 -1.344 25630 851 1 2 . 1 1 64 64 ASN HA H 64 4.711 4.711 4.762 -0.051 25630 852 1 2 . 1 1 64 64 ASN C C 64 175.086 175.086 175.860 -0.774 25630 853 1 2 . 1 1 64 64 ASN CA C 64 51.664 51.664 51.697 -0.033 25630 854 1 2 . 1 1 64 64 ASN CB C 64 37.101 37.101 38.214 -1.113 25630 855 1 2 . 1 1 64 64 ASN H H 64 8.947 8.947 8.029 0.918 25630 856 1 2 . 1 1 65 65 LEU N N 65 126.541 126.541 125.143 1.398 25630 857 1 2 . 1 1 65 65 LEU HA H 65 3.915 3.915 3.737 0.178 25630 858 1 2 . 1 1 65 65 LEU C C 65 179.923 179.923 178.429 1.494 25630 859 1 2 . 1 1 65 65 LEU CA C 65 57.744 57.744 58.298 -0.554 25630 860 1 2 . 1 1 65 65 LEU CB C 65 40.932 40.932 41.375 -0.443 25630 861 1 2 . 1 1 65 65 LEU H H 65 8.515 8.515 7.921 0.594 25630 862 1 2 . 1 1 66 66 ASN N N 66 119.258 119.258 116.936 2.322 25630 863 1 2 . 1 1 66 66 ASN HA H 66 4.515 4.515 4.438 0.077 25630 864 1 2 . 1 1 66 66 ASN C C 66 177.832 177.832 177.483 0.349 25630 865 1 2 . 1 1 66 66 ASN CA C 66 55.848 55.848 56.148 -0.300 25630 866 1 2 . 1 1 66 66 ASN CB C 66 37.670 37.670 37.663 0.006 25630 867 1 2 . 1 1 66 66 ASN H H 66 8.376 8.376 8.321 0.055 25630 868 1 2 . 1 1 67 67 ALA N N 67 125.139 125.139 122.973 2.166 25630 869 1 2 . 1 1 67 67 ALA HA H 67 4.144 4.144 4.154 -0.010 25630 870 1 2 . 1 1 67 67 ALA C C 67 180.849 180.849 178.711 2.138 25630 871 1 2 . 1 1 67 67 ALA CA C 67 53.639 53.639 54.582 -0.943 25630 872 1 2 . 1 1 67 67 ALA CB C 67 17.340 17.340 18.210 -0.870 25630 873 1 2 . 1 1 67 67 ALA H H 67 7.835 7.835 7.980 -0.145 25630 874 1 2 . 1 1 68 68 ALA N N 68 119.901 119.901 120.146 -0.245 25630 875 1 2 . 1 1 68 68 ALA HA H 68 3.959 3.959 4.082 -0.123 25630 876 1 2 . 1 1 68 68 ALA C C 68 178.092 178.092 178.513 -0.421 25630 877 1 2 . 1 1 68 68 ALA CA C 68 54.893 54.893 54.184 0.709 25630 878 1 2 . 1 1 68 68 ALA CB C 68 17.324 17.324 18.535 -1.212 25630 879 1 2 . 1 1 68 68 ALA H H 68 8.187 8.187 8.363 -0.176 25630 880 1 2 . 1 1 69 69 ALA N N 69 118.169 118.169 119.767 -1.598 25630 881 1 2 . 1 1 69 69 ALA HA H 69 4.233 4.233 4.443 -0.210 25630 882 1 2 . 1 1 69 69 ALA C C 69 179.953 179.953 179.552 0.401 25630 883 1 2 . 1 1 69 69 ALA CA C 69 54.247 54.247 54.127 0.120 25630 884 1 2 . 1 1 69 69 ALA CB C 69 17.943 17.943 19.629 -1.686 25630 885 1 2 . 1 1 69 69 ALA H H 69 7.987 7.987 8.051 -0.064 25630 886 1 2 . 1 1 70 70 GLY N N 70 102.097 102.097 107.650 -5.553 25630 887 1 2 . 1 1 70 70 GLY C C 70 173.713 173.713 175.890 -2.177 25630 888 1 2 . 1 1 70 70 GLY CA C 70 44.759 44.759 46.270 -1.511 25630 889 1 2 . 1 1 70 70 GLY H H 70 7.736 7.736 7.813 -0.077 25630 890 1 2 . 1 1 71 71 LEU N N 71 121.365 121.365 123.629 -2.264 25630 891 1 2 . 1 1 71 71 LEU HA H 71 4.384 4.384 4.207 0.177 25630 892 1 2 . 1 1 71 71 LEU C C 71 173.650 173.650 175.747 -2.097 25630 893 1 2 . 1 1 71 71 LEU CA C 71 59.180 59.180 59.524 -0.344 25630 894 1 2 . 1 1 71 71 LEU CB C 71 39.573 39.573 40.032 -0.459 25630 895 1 2 . 1 1 71 71 LEU H H 71 7.180 7.180 8.532 -1.352 25630 896 1 2 . 1 1 72 72 PRO HA H 72 3.870 3.870 4.245 -0.375 25630 897 1 2 . 1 1 72 72 PRO CA C 72 67.297 67.297 65.329 1.968 25630 898 1 2 . 1 1 72 72 PRO CB C 72 30.585 30.585 30.865 -0.280 25630 899 1 2 . 1 1 73 73 ALA N N 73 119.120 119.120 119.305 -0.185 25630 900 1 2 . 1 1 73 73 ALA HA H 73 4.108 4.108 4.207 -0.099 25630 901 1 2 . 1 1 73 73 ALA C C 73 181.784 181.784 178.957 2.827 25630 902 1 2 . 1 1 73 73 ALA CA C 73 54.924 54.924 54.537 0.387 25630 903 1 2 . 1 1 73 73 ALA CB C 73 17.718 17.718 18.380 -0.662 25630 904 1 2 . 1 1 73 73 ALA H H 73 7.959 7.959 7.828 0.131 25630 905 1 2 . 1 1 74 74 LYS N N 74 119.785 119.785 117.197 2.588 25630 906 1 2 . 1 1 74 74 LYS HA H 74 4.059 4.059 4.533 -0.474 25630 907 1 2 . 1 1 74 74 LYS C C 74 178.488 178.488 178.569 -0.081 25630 908 1 2 . 1 1 74 74 LYS CA C 74 58.725 58.725 57.289 1.436 25630 909 1 2 . 1 1 74 74 LYS CB C 74 32.390 32.390 33.413 -1.023 25630 910 1 2 . 1 1 74 74 LYS H H 74 8.259 8.259 7.502 0.757 25630 911 1 2 . 1 1 75 75 CYS N N 75 114.446 114.446 116.032 -1.586 25630 912 1 2 . 1 1 75 75 CYS HA H 75 4.759 4.759 4.143 0.616 25630 913 1 2 . 1 1 75 75 CYS C C 75 174.445 174.445 176.134 -1.689 25630 914 1 2 . 1 1 75 75 CYS CA C 75 52.907 52.907 61.489 -8.582 25630 915 1 2 . 1 1 75 75 CYS CB C 75 35.891 35.891 26.863 9.028 25630 916 1 2 . 1 1 75 75 CYS H H 75 7.807 7.807 8.553 -0.746 25630 917 1 2 . 1 1 76 76 GLY N N 76 110.871 110.871 102.945 7.926 25630 918 1 2 . 1 1 76 76 GLY C C 76 173.789 173.789 175.014 -1.225 25630 919 1 2 . 1 1 76 76 GLY CA C 76 46.203 46.203 44.969 1.234 25630 920 1 2 . 1 1 76 76 GLY H H 76 7.987 7.987 7.488 0.499 25630 921 1 2 . 1 1 77 77 VAL N N 77 119.259 119.259 122.555 -3.296 25630 922 1 2 . 1 1 77 77 VAL HA H 77 4.149 4.149 4.048 0.101 25630 923 1 2 . 1 1 77 77 VAL C C 77 173.606 173.606 176.415 -2.809 25630 924 1 2 . 1 1 77 77 VAL CA C 77 60.010 60.010 62.122 -2.112 25630 925 1 2 . 1 1 77 77 VAL CB C 77 33.888 33.888 30.204 3.684 25630 926 1 2 . 1 1 77 77 VAL H H 77 8.168 8.168 8.155 0.013 25630 927 1 2 . 1 1 78 78 ASN N N 78 125.739 125.739 118.694 7.045 25630 928 1 2 . 1 1 78 78 ASN HA H 78 4.687 4.687 4.400 0.287 25630 929 1 2 . 1 1 78 78 ASN C C 78 173.972 173.972 175.739 -1.767 25630 930 1 2 . 1 1 78 78 ASN CA C 78 51.804 51.804 55.931 -4.127 25630 931 1 2 . 1 1 78 78 ASN CB C 78 37.522 37.522 37.925 -0.403 25630 932 1 2 . 1 1 78 78 ASN H H 78 8.595 8.595 7.968 0.627 25630 933 1 2 . 1 1 79 79 ILE N N 79 123.269 123.269 119.091 4.178 25630 934 1 2 . 1 1 79 79 ILE HA H 79 4.407 4.407 3.912 0.495 25630 935 1 2 . 1 1 79 79 ILE C C 79 175.707 175.707 175.000 0.707 25630 936 1 2 . 1 1 79 79 ILE CA C 79 57.263 57.263 61.772 -4.508 25630 937 1 2 . 1 1 79 79 ILE CB C 79 38.692 38.692 37.868 0.824 25630 938 1 2 . 1 1 79 79 ILE H H 79 7.490 7.490 8.027 -0.537 25630 939 1 2 . 1 1 80 80 PRO HA H 80 4.545 4.545 4.379 0.166 25630 940 1 2 . 1 1 80 80 PRO C C 80 173.928 173.928 175.299 -1.371 25630 941 1 2 . 1 1 80 80 PRO CA C 80 63.769 63.769 63.285 0.484 25630 942 1 2 . 1 1 80 80 PRO CB C 80 30.333 30.333 30.558 -0.225 25630 943 1 2 . 1 1 81 81 TYR N N 81 115.596 115.596 123.156 -7.560 25630 944 1 2 . 1 1 81 81 TYR HA H 81 4.756 4.756 4.760 -0.004 25630 945 1 2 . 1 1 81 81 TYR C C 81 172.554 172.554 173.833 -1.279 25630 946 1 2 . 1 1 81 81 TYR CA C 81 54.217 54.217 56.492 -2.275 25630 947 1 2 . 1 1 81 81 TYR CB C 81 39.435 39.435 42.683 -3.248 25630 948 1 2 . 1 1 81 81 TYR H H 81 6.566 6.566 7.983 -1.417 25630 949 1 2 . 1 1 82 82 LYS N N 82 118.572 118.572 120.261 -1.689 25630 950 1 2 . 1 1 82 82 LYS HA H 82 4.407 4.407 4.632 -0.225 25630 951 1 2 . 1 1 82 82 LYS C C 82 176.795 176.795 174.509 2.286 25630 952 1 2 . 1 1 82 82 LYS CA C 82 54.523 54.523 55.362 -0.839 25630 953 1 2 . 1 1 82 82 LYS CB C 82 33.584 33.584 35.423 -1.839 25630 954 1 2 . 1 1 82 82 LYS H H 82 8.170 8.170 8.441 -0.272 25630 955 1 2 . 1 1 83 83 ILE N N 83 128.219 128.219 116.975 11.244 25630 956 1 2 . 1 1 83 83 ILE HA H 83 4.059 4.059 4.488 -0.429 25630 957 1 2 . 1 1 83 83 ILE CA C 83 61.386 61.386 58.959 2.427 25630 958 1 2 . 1 1 83 83 ILE CB C 83 35.648 35.648 38.484 -2.836 25630 959 1 2 . 1 1 83 83 ILE H H 83 9.374 9.374 8.504 0.870 25630 960 1 2 . 1 1 84 84 SER N N 84 121.442 121.442 113.226 8.216 25630 961 1 2 . 1 1 84 84 SER HA H 84 4.702 4.702 4.734 -0.032 25630 962 1 2 . 1 1 84 84 SER C C 84 176.398 176.398 172.539 3.859 25630 963 1 2 . 1 1 84 84 SER CA C 84 54.826 54.826 56.415 -1.589 25630 964 1 2 . 1 1 84 84 SER CB C 84 64.454 64.454 64.108 0.346 25630 965 1 2 . 1 1 84 84 SER H H 84 6.689 6.689 7.936 -1.247 25630 966 1 2 . 1 1 85 85 PRO HA H 85 4.563 4.563 4.473 0.090 25630 967 1 2 . 1 1 85 85 PRO CA C 85 63.711 63.711 64.289 -0.578 25630 968 1 2 . 1 1 85 85 PRO CB C 85 31.930 31.930 31.954 -0.024 25630 969 1 2 . 1 1 86 86 SER N N 86 109.474 109.474 113.317 -3.843 25630 970 1 2 . 1 1 86 86 SER HA H 86 4.638 4.638 4.582 0.056 25630 971 1 2 . 1 1 86 86 SER CA C 86 56.757 56.757 57.423 -0.666 25630 972 1 2 . 1 1 86 86 SER CB C 86 63.491 63.491 63.543 -0.052 25630 973 1 2 . 1 1 86 86 SER H H 86 7.947 7.947 7.672 0.275 25630 974 1 2 . 1 1 87 87 THR HA H 87 3.809 3.809 4.593 -0.784 25630 975 1 2 . 1 1 87 87 THR C C 87 171.688 171.688 173.027 -1.339 25630 976 1 2 . 1 1 87 87 THR CA C 87 63.765 63.765 61.470 2.295 25630 977 1 2 . 1 1 87 87 THR CB C 87 69.896 69.896 70.376 -0.480 25630 978 1 2 . 1 1 88 88 ASP N N 88 124.634 124.634 124.468 0.166 25630 979 1 2 . 1 1 88 88 ASP HA H 88 4.789 4.789 4.763 0.026 25630 980 1 2 . 1 1 88 88 ASP CA C 88 51.746 51.746 52.632 -0.886 25630 981 1 2 . 1 1 88 88 ASP CB C 88 38.906 38.906 43.178 -4.272 25630 982 1 2 . 1 1 88 88 ASP H H 88 8.628 8.628 8.395 0.233 25630 983 1 2 . 1 1 89 89 CYS N N 89 125.452 125.452 118.912 6.540 25630 984 1 2 . 1 1 89 89 CYS HA H 89 4.425 4.425 4.629 -0.204 25630 985 1 2 . 1 1 89 89 CYS C C 89 175.346 175.346 175.189 0.157 25630 986 1 2 . 1 1 89 89 CYS CA C 89 54.899 54.899 58.493 -3.594 25630 987 1 2 . 1 1 89 89 CYS CB C 89 36.960 36.960 25.952 11.008 25630 988 1 2 . 1 1 89 89 CYS H H 89 8.647 8.647 8.763 -0.116 25630 989 1 2 . 1 1 90 90 ASN N N 90 116.267 116.267 117.664 -1.397 25630 990 1 2 . 1 1 90 90 ASN HA H 90 4.456 4.456 4.499 -0.043 25630 991 1 2 . 1 1 90 90 ASN C C 90 175.437 175.437 176.257 -0.820 25630 992 1 2 . 1 1 90 90 ASN CA C 90 54.691 54.691 55.176 -0.485 25630 993 1 2 . 1 1 90 90 ASN CB C 90 37.607 37.607 38.427 -0.820 25630 994 1 2 . 1 1 90 90 ASN H H 90 8.348 8.348 8.363 -0.015 25630 995 1 2 . 1 1 91 91 ARG N N 91 115.341 115.341 119.267 -3.926 25630 996 1 2 . 1 1 91 91 ARG HA H 91 4.322 4.322 4.244 0.078 25630 997 1 2 . 1 1 91 91 ARG C C 91 175.783 175.783 176.882 -1.099 25630 998 1 2 . 1 1 91 91 ARG CA C 91 54.915 54.915 56.238 -1.323 25630 999 1 2 . 1 1 91 91 ARG CB C 91 30.145 30.145 29.781 0.364 25630 1000 1 2 . 1 1 91 91 ARG H H 91 7.133 7.133 7.814 -0.681 25630 1001 1 2 . 1 1 92 92 VAL N N 92 121.309 121.309 122.069 -0.760 25630 1002 1 2 . 1 1 92 92 VAL HA H 92 3.949 3.949 3.763 0.186 25630 1003 1 2 . 1 1 92 92 VAL C C 92 174.084 174.084 175.994 -1.910 25630 1004 1 2 . 1 1 92 92 VAL CA C 92 62.875 62.875 63.043 -0.168 25630 1005 1 2 . 1 1 92 92 VAL CB C 92 32.316 32.316 30.559 1.757 25630 1006 1 2 . 1 1 92 92 VAL H H 92 6.990 6.990 7.971 -0.981 25630 1007 1 3 . 1 1 2 2 THR N N 2 113.980 113.980 115.075 -1.095 25630 1008 1 3 . 1 1 2 2 THR HA H 2 4.807 4.807 4.671 0.136 25630 1009 1 3 . 1 1 2 2 THR C C 2 175.361 175.361 175.956 -0.595 25630 1010 1 3 . 1 1 2 2 THR CA C 2 58.659 58.659 60.898 -2.239 25630 1011 1 3 . 1 1 2 2 THR CB C 2 71.525 71.525 70.873 0.652 25630 1012 1 3 . 1 1 2 2 THR H H 2 8.298 8.298 8.121 0.177 25630 1013 1 3 . 1 1 3 3 CYS N N 3 116.929 116.929 121.601 -4.672 25630 1014 1 3 . 1 1 3 3 CYS HA H 3 4.720 4.720 4.070 0.650 25630 1015 1 3 . 1 1 3 3 CYS CA C 3 54.110 54.110 61.728 -7.618 25630 1016 1 3 . 1 1 3 3 CYS CB C 3 31.416 31.416 26.403 5.013 25630 1017 1 3 . 1 1 3 3 CYS H H 3 9.330 9.330 8.937 0.393 25630 1018 1 3 . 1 1 4 4 GLY N N 4 110.525 110.525 108.411 2.114 25630 1019 1 3 . 1 1 4 4 GLY CA C 4 46.883 46.883 47.289 -0.406 25630 1020 1 3 . 1 1 4 4 GLY H H 4 8.739 8.739 8.611 0.128 25630 1021 1 3 . 1 1 5 5 GLN N N 5 121.402 121.402 121.605 -0.203 25630 1022 1 3 . 1 1 5 5 GLN HA H 5 4.122 4.122 4.037 0.085 25630 1023 1 3 . 1 1 5 5 GLN C C 5 178.604 178.604 178.721 -0.117 25630 1024 1 3 . 1 1 5 5 GLN CA C 5 58.066 58.066 58.143 -0.077 25630 1025 1 3 . 1 1 5 5 GLN CB C 5 28.797 28.797 28.554 0.243 25630 1026 1 3 . 1 1 5 5 GLN H H 5 7.651 7.651 7.737 -0.085 25630 1027 1 3 . 1 1 6 6 VAL N N 6 120.864 120.864 120.612 0.252 25630 1028 1 3 . 1 1 6 6 VAL HA H 6 3.622 3.622 3.537 0.085 25630 1029 1 3 . 1 1 6 6 VAL C C 6 176.268 176.268 177.870 -1.602 25630 1030 1 3 . 1 1 6 6 VAL CA C 6 65.939 65.939 67.259 -1.320 25630 1031 1 3 . 1 1 6 6 VAL CB C 6 31.034 31.034 31.441 -0.407 25630 1032 1 3 . 1 1 6 6 VAL H H 6 7.566 7.566 7.853 -0.287 25630 1033 1 3 . 1 1 7 7 THR N N 7 113.871 113.871 115.090 -1.219 25630 1034 1 3 . 1 1 7 7 THR HA H 7 3.697 3.697 3.961 -0.264 25630 1035 1 3 . 1 1 7 7 THR CA C 7 65.959 65.959 66.478 -0.519 25630 1036 1 3 . 1 1 7 7 THR CB C 7 68.108 68.108 68.123 -0.015 25630 1037 1 3 . 1 1 7 7 THR H H 7 8.835 8.835 7.943 0.892 25630 1038 1 3 . 1 1 8 8 GLY N N 8 108.517 108.517 108.485 0.032 25630 1039 1 3 . 1 1 8 8 GLY C C 8 175.828 175.828 175.713 0.115 25630 1040 1 3 . 1 1 8 8 GLY CA C 8 46.675 46.675 46.659 0.016 25630 1041 1 3 . 1 1 8 8 GLY H H 8 7.900 7.900 7.682 0.218 25630 1042 1 3 . 1 1 9 9 ALA N N 9 123.446 123.446 124.226 -0.780 25630 1043 1 3 . 1 1 9 9 ALA HA H 9 4.160 4.160 4.324 -0.164 25630 1044 1 3 . 1 1 9 9 ALA C C 9 177.583 177.583 179.329 -1.746 25630 1045 1 3 . 1 1 9 9 ALA CA C 9 54.053 54.053 54.089 -0.035 25630 1046 1 3 . 1 1 9 9 ALA CB C 9 17.914 17.914 19.172 -1.258 25630 1047 1 3 . 1 1 9 9 ALA H H 9 7.483 7.483 8.106 -0.623 25630 1048 1 3 . 1 1 10 10 LEU N N 10 112.012 112.012 117.971 -5.959 25630 1049 1 3 . 1 1 10 10 LEU HA H 10 4.156 4.156 4.530 -0.374 25630 1050 1 3 . 1 1 10 10 LEU C C 10 177.573 177.573 177.491 0.082 25630 1051 1 3 . 1 1 10 10 LEU CA C 10 53.384 53.384 54.479 -1.095 25630 1052 1 3 . 1 1 10 10 LEU CB C 10 42.102 42.102 41.018 1.084 25630 1053 1 3 . 1 1 10 10 LEU H H 10 7.279 7.279 7.707 -0.428 25630 1054 1 3 . 1 1 11 11 ALA N N 11 124.705 124.705 124.532 0.173 25630 1055 1 3 . 1 1 11 11 ALA HA H 11 4.251 4.251 4.180 0.071 25630 1056 1 3 . 1 1 11 11 ALA C C 11 176.754 176.754 176.806 -0.052 25630 1057 1 3 . 1 1 11 11 ALA CA C 11 56.645 56.645 56.425 0.220 25630 1058 1 3 . 1 1 11 11 ALA CB C 11 15.503 15.503 16.532 -1.029 25630 1059 1 3 . 1 1 11 11 ALA H H 11 7.517 7.517 7.905 -0.389 25630 1060 1 3 . 1 1 12 12 PRO HA H 12 4.663 4.663 4.509 0.154 25630 1061 1 3 . 1 1 12 12 PRO CA C 12 64.423 64.423 64.241 0.182 25630 1062 1 3 . 1 1 12 12 PRO CB C 12 31.214 31.214 30.868 0.346 25630 1063 1 3 . 1 1 13 13 CYS N N 13 114.976 114.976 117.457 -2.481 25630 1064 1 3 . 1 1 13 13 CYS HA H 13 4.618 4.618 4.510 0.108 25630 1065 1 3 . 1 1 13 13 CYS C C 13 174.583 174.583 176.452 -1.869 25630 1066 1 3 . 1 1 13 13 CYS CA C 13 53.992 53.992 60.991 -6.999 25630 1067 1 3 . 1 1 13 13 CYS CB C 13 42.898 42.898 27.647 15.251 25630 1068 1 3 . 1 1 13 13 CYS H H 13 8.801 8.801 7.634 1.167 25630 1069 1 3 . 1 1 14 14 LEU N N 14 121.119 121.119 121.043 0.076 25630 1070 1 3 . 1 1 14 14 LEU HA H 14 3.817 3.817 3.912 -0.095 25630 1071 1 3 . 1 1 14 14 LEU C C 14 177.057 177.057 179.017 -1.960 25630 1072 1 3 . 1 1 14 14 LEU CA C 14 59.303 59.303 57.947 1.356 25630 1073 1 3 . 1 1 14 14 LEU CB C 14 40.871 40.871 41.202 -0.331 25630 1074 1 3 . 1 1 14 14 LEU H H 14 7.665 7.665 7.770 -0.105 25630 1075 1 3 . 1 1 15 15 GLY N N 15 105.845 105.845 106.434 -0.589 25630 1076 1 3 . 1 1 15 15 GLY C C 15 176.947 176.947 175.325 1.622 25630 1077 1 3 . 1 1 15 15 GLY CA C 15 46.859 46.859 46.654 0.205 25630 1078 1 3 . 1 1 15 15 GLY H H 15 8.322 8.322 8.015 0.307 25630 1079 1 3 . 1 1 16 16 TYR N N 16 125.900 125.900 122.836 3.064 25630 1080 1 3 . 1 1 16 16 TYR HA H 16 4.004 4.004 4.192 -0.188 25630 1081 1 3 . 1 1 16 16 TYR C C 16 177.192 177.192 177.955 -0.763 25630 1082 1 3 . 1 1 16 16 TYR CA C 16 61.361 61.361 60.763 0.598 25630 1083 1 3 . 1 1 16 16 TYR CB C 16 37.906 37.906 38.450 -0.544 25630 1084 1 3 . 1 1 16 16 TYR H H 16 8.650 8.650 7.914 0.736 25630 1085 1 3 . 1 1 17 17 LEU N N 17 117.280 117.280 117.463 -0.183 25630 1086 1 3 . 1 1 17 17 LEU HA H 17 3.792 3.792 3.962 -0.170 25630 1087 1 3 . 1 1 17 17 LEU C C 17 175.010 175.010 178.517 -3.507 25630 1088 1 3 . 1 1 17 17 LEU CA C 17 56.221 56.221 57.406 -1.185 25630 1089 1 3 . 1 1 17 17 LEU CB C 17 41.476 41.476 41.634 -0.158 25630 1090 1 3 . 1 1 17 17 LEU H H 17 8.419 8.419 7.955 0.464 25630 1091 1 3 . 1 1 18 18 ARG N N 18 115.416 115.416 116.254 -0.838 25630 1092 1 3 . 1 1 18 18 ARG HA H 18 4.579 4.579 4.727 -0.148 25630 1093 1 3 . 1 1 18 18 ARG C C 18 175.874 175.874 176.357 -0.483 25630 1094 1 3 . 1 1 18 18 ARG CA C 18 55.322 55.322 55.974 -0.652 25630 1095 1 3 . 1 1 18 18 ARG CB C 18 30.375 30.375 30.410 -0.035 25630 1096 1 3 . 1 1 18 18 ARG H H 18 7.212 7.212 7.596 -0.384 25630 1097 1 3 . 1 1 19 19 THR N N 19 117.095 117.095 117.291 -0.196 25630 1098 1 3 . 1 1 19 19 THR HA H 19 4.296 4.296 4.309 -0.013 25630 1099 1 3 . 1 1 19 19 THR C C 19 173.038 173.038 173.505 -0.467 25630 1100 1 3 . 1 1 19 19 THR CA C 19 62.270 62.270 61.943 0.327 25630 1101 1 3 . 1 1 19 19 THR CB C 19 69.436 69.436 69.059 0.377 25630 1102 1 3 . 1 1 19 19 THR H H 19 7.462 7.462 7.437 0.025 25630 1103 1 3 . 1 1 20 20 ALA N N 20 128.239 128.239 130.091 -1.852 25630 1104 1 3 . 1 1 20 20 ALA HA H 20 4.151 4.151 4.285 -0.134 25630 1105 1 3 . 1 1 20 20 ALA C C 20 177.148 177.148 177.633 -0.485 25630 1106 1 3 . 1 1 20 20 ALA CA C 20 52.378 52.378 53.016 -0.638 25630 1107 1 3 . 1 1 20 20 ALA CB C 20 18.697 18.697 19.047 -0.350 25630 1108 1 3 . 1 1 20 20 ALA H H 20 8.607 8.607 8.389 0.218 25630 1109 1 3 . 1 1 21 21 GLY N N 21 106.473 106.473 111.185 -4.712 25630 1110 1 3 . 1 1 21 21 GLY C C 21 173.046 173.046 173.271 -0.225 25630 1111 1 3 . 1 1 21 21 GLY CA C 21 44.516 44.516 44.302 0.214 25630 1112 1 3 . 1 1 21 21 GLY H H 21 8.207 8.207 8.111 0.096 25630 1113 1 3 . 1 1 22 22 SER N N 22 115.592 115.592 116.787 -1.195 25630 1114 1 3 . 1 1 22 22 SER HA H 22 4.684 4.684 4.771 -0.087 25630 1115 1 3 . 1 1 22 22 SER CA C 22 56.763 56.763 58.136 -1.373 25630 1116 1 3 . 1 1 22 22 SER CB C 22 62.875 62.875 63.347 -0.472 25630 1117 1 3 . 1 1 22 22 SER H H 22 8.177 8.177 8.305 -0.128 25630 1118 1 3 . 1 1 23 23 VAL N N 23 120.568 120.568 121.642 -1.074 25630 1119 1 3 . 1 1 23 23 VAL HA H 23 4.817 4.817 4.606 0.211 25630 1120 1 3 . 1 1 23 23 VAL CA C 23 58.256 58.256 59.094 -0.838 25630 1121 1 3 . 1 1 23 23 VAL CB C 23 32.614 32.614 33.041 -0.427 25630 1122 1 3 . 1 1 23 23 VAL H H 23 8.110 8.110 8.236 -0.126 25630 1123 1 3 . 1 1 24 24 PRO HA H 24 4.400 4.400 4.568 -0.168 25630 1124 1 3 . 1 1 24 24 PRO CA C 24 62.104 62.104 62.522 -0.418 25630 1125 1 3 . 1 1 24 24 PRO CB C 24 31.625 31.625 32.249 -0.624 25630 1126 1 3 . 1 1 25 25 VAL N N 25 122.444 122.444 120.974 1.470 25630 1127 1 3 . 1 1 25 25 VAL HA H 25 3.666 3.666 3.361 0.305 25630 1128 1 3 . 1 1 25 25 VAL C C 25 174.735 174.735 174.740 -0.005 25630 1129 1 3 . 1 1 25 25 VAL CA C 25 58.474 58.474 60.710 -2.236 25630 1130 1 3 . 1 1 25 25 VAL CB C 25 32.625 32.625 31.598 1.027 25630 1131 1 3 . 1 1 25 25 VAL H H 25 8.187 8.187 8.298 -0.111 25630 1132 1 3 . 1 1 26 26 PRO HA H 26 4.437 4.437 4.360 0.077 25630 1133 1 3 . 1 1 26 26 PRO CA C 26 62.431 62.431 62.337 0.094 25630 1134 1 3 . 1 1 26 26 PRO CB C 26 32.069 32.069 32.131 -0.062 25630 1135 1 3 . 1 1 27 27 LEU N N 27 128.747 128.747 128.309 0.438 25630 1136 1 3 . 1 1 27 27 LEU HA H 27 3.982 3.982 4.040 -0.058 25630 1137 1 3 . 1 1 27 27 LEU C C 27 178.619 178.619 178.061 0.558 25630 1138 1 3 . 1 1 27 27 LEU CA C 27 58.471 58.471 58.776 -0.305 25630 1139 1 3 . 1 1 27 27 LEU CB C 27 41.085 41.085 41.316 -0.232 25630 1140 1 3 . 1 1 27 27 LEU H H 27 8.871 8.871 8.490 0.381 25630 1141 1 3 . 1 1 28 28 THR N N 28 107.667 107.667 111.064 -3.397 25630 1142 1 3 . 1 1 28 28 THR HA H 28 3.962 3.962 3.934 0.028 25630 1143 1 3 . 1 1 28 28 THR C C 28 177.771 177.771 176.322 1.449 25630 1144 1 3 . 1 1 28 28 THR CA C 28 64.160 64.160 65.572 -1.412 25630 1145 1 3 . 1 1 28 28 THR CB C 28 67.597 67.597 67.927 -0.330 25630 1146 1 3 . 1 1 28 28 THR H H 28 8.219 8.219 8.326 -0.107 25630 1147 1 3 . 1 1 29 29 CYS N N 29 118.564 118.564 120.628 -2.064 25630 1148 1 3 . 1 1 29 29 CYS HA H 29 4.471 4.471 4.333 0.138 25630 1149 1 3 . 1 1 29 29 CYS C C 29 175.191 175.191 176.799 -1.608 25630 1150 1 3 . 1 1 29 29 CYS CA C 29 58.136 58.136 60.377 -2.241 25630 1151 1 3 . 1 1 29 29 CYS CB C 29 37.170 37.170 25.463 11.707 25630 1152 1 3 . 1 1 29 29 CYS H H 29 7.177 7.177 7.892 -0.715 25630 1153 1 3 . 1 1 30 30 CYS N N 30 117.371 117.371 121.124 -3.753 25630 1154 1 3 . 1 1 30 30 CYS HA H 30 4.656 4.656 4.000 0.656 25630 1155 1 3 . 1 1 30 30 CYS C C 30 177.101 177.101 177.160 -0.059 25630 1156 1 3 . 1 1 30 30 CYS CA C 30 54.440 54.440 63.400 -8.960 25630 1157 1 3 . 1 1 30 30 CYS CB C 30 31.989 31.989 25.635 6.354 25630 1158 1 3 . 1 1 30 30 CYS H H 30 7.522 7.522 8.101 -0.579 25630 1159 1 3 . 1 1 31 31 ASN N N 31 119.039 119.039 118.219 0.820 25630 1160 1 3 . 1 1 31 31 ASN HA H 31 4.468 4.468 4.344 0.124 25630 1161 1 3 . 1 1 31 31 ASN C C 31 178.119 178.119 177.693 0.426 25630 1162 1 3 . 1 1 31 31 ASN CA C 31 55.778 55.778 56.284 -0.506 25630 1163 1 3 . 1 1 31 31 ASN CB C 31 36.964 36.964 38.308 -1.344 25630 1164 1 3 . 1 1 31 31 ASN H H 31 8.703 8.703 8.143 0.560 25630 1165 1 3 . 1 1 32 32 GLY N N 32 111.440 111.440 108.545 2.895 25630 1166 1 3 . 1 1 32 32 GLY C C 32 175.147 175.147 175.998 -0.851 25630 1167 1 3 . 1 1 32 32 GLY CA C 32 47.058 47.058 46.600 0.458 25630 1168 1 3 . 1 1 32 32 GLY H H 32 7.744 7.744 7.739 0.005 25630 1169 1 3 . 1 1 33 33 VAL N N 33 122.106 122.106 122.945 -0.839 25630 1170 1 3 . 1 1 33 33 VAL HA H 33 3.470 3.470 3.530 -0.060 25630 1171 1 3 . 1 1 33 33 VAL C C 33 177.344 177.344 177.670 -0.326 25630 1172 1 3 . 1 1 33 33 VAL CA C 33 66.135 66.135 66.333 -0.198 25630 1173 1 3 . 1 1 33 33 VAL CB C 33 31.530 31.530 31.504 0.026 25630 1174 1 3 . 1 1 33 33 VAL H H 33 8.139 8.139 7.746 0.393 25630 1175 1 3 . 1 1 34 34 ARG N N 34 119.957 119.957 120.323 -0.366 25630 1176 1 3 . 1 1 34 34 ARG HA H 34 3.869 3.869 3.984 -0.115 25630 1177 1 3 . 1 1 34 34 ARG C C 34 178.641 178.641 178.493 0.148 25630 1178 1 3 . 1 1 34 34 ARG CA C 34 59.563 59.563 59.195 0.368 25630 1179 1 3 . 1 1 34 34 ARG CB C 34 29.978 29.978 29.635 0.343 25630 1180 1 3 . 1 1 34 34 ARG H H 34 8.452 8.452 8.733 -0.281 25630 1181 1 3 . 1 1 35 35 GLY N N 35 106.891 106.891 106.266 0.625 25630 1182 1 3 . 1 1 35 35 GLY C C 35 176.413 176.413 176.523 -0.110 25630 1183 1 3 . 1 1 35 35 GLY CA C 35 46.653 46.653 46.783 -0.130 25630 1184 1 3 . 1 1 35 35 GLY H H 35 8.062 8.062 7.766 0.296 25630 1185 1 3 . 1 1 36 36 LEU N N 36 123.784 123.784 123.103 0.681 25630 1186 1 3 . 1 1 36 36 LEU HA H 36 4.077 4.077 3.950 0.127 25630 1187 1 3 . 1 1 36 36 LEU C C 36 177.848 177.848 178.262 -0.414 25630 1188 1 3 . 1 1 36 36 LEU CA C 36 57.160 57.160 57.780 -0.620 25630 1189 1 3 . 1 1 36 36 LEU CB C 36 41.162 41.162 41.745 -0.583 25630 1190 1 3 . 1 1 36 36 LEU H H 36 8.119 8.119 7.652 0.467 25630 1191 1 3 . 1 1 37 37 ASN N N 37 116.442 116.442 117.551 -1.109 25630 1192 1 3 . 1 1 37 37 ASN HA H 37 4.507 4.507 4.315 0.192 25630 1193 1 3 . 1 1 37 37 ASN C C 37 176.799 176.799 176.866 -0.067 25630 1194 1 3 . 1 1 37 37 ASN CA C 37 55.501 55.501 56.417 -0.916 25630 1195 1 3 . 1 1 37 37 ASN CB C 37 38.980 38.980 38.553 0.427 25630 1196 1 3 . 1 1 37 37 ASN H H 37 7.847 7.847 8.062 -0.215 25630 1197 1 3 . 1 1 38 38 ASN N N 38 115.049 115.049 117.611 -2.562 25630 1198 1 3 . 1 1 38 38 ASN HA H 38 4.421 4.421 4.641 -0.220 25630 1199 1 3 . 1 1 38 38 ASN C C 38 175.620 175.620 175.904 -0.284 25630 1200 1 3 . 1 1 38 38 ASN CA C 38 54.393 54.393 54.527 -0.134 25630 1201 1 3 . 1 1 38 38 ASN CB C 38 38.079 38.079 39.390 -1.311 25630 1202 1 3 . 1 1 38 38 ASN H H 38 7.982 7.982 7.685 0.297 25630 1203 1 3 . 1 1 39 39 ALA N N 39 119.826 119.826 121.759 -1.933 25630 1204 1 3 . 1 1 39 39 ALA HA H 39 4.269 4.269 4.190 0.079 25630 1205 1 3 . 1 1 39 39 ALA C C 39 176.587 176.587 178.229 -1.642 25630 1206 1 3 . 1 1 39 39 ALA CA C 39 52.527 52.527 53.662 -1.135 25630 1207 1 3 . 1 1 39 39 ALA CB C 39 18.507 18.507 19.073 -0.566 25630 1208 1 3 . 1 1 39 39 ALA H H 39 7.624 7.624 7.722 -0.098 25630 1209 1 3 . 1 1 40 40 ALA N N 40 120.950 120.950 120.573 0.377 25630 1210 1 3 . 1 1 40 40 ALA HA H 40 4.642 4.642 4.133 0.509 25630 1211 1 3 . 1 1 40 40 ALA C C 40 174.615 174.615 176.689 -2.074 25630 1212 1 3 . 1 1 40 40 ALA CA C 40 50.169 50.169 52.549 -2.380 25630 1213 1 3 . 1 1 40 40 ALA CB C 40 17.604 17.604 18.287 -0.683 25630 1214 1 3 . 1 1 40 40 ALA H H 40 7.290 7.290 7.752 -0.462 25630 1215 1 3 . 1 1 41 41 ARG N N 41 122.802 122.802 123.906 -1.104 25630 1216 1 3 . 1 1 41 41 ARG HA H 41 4.478 4.478 4.306 0.172 25630 1217 1 3 . 1 1 41 41 ARG C C 41 176.177 176.177 175.513 0.664 25630 1218 1 3 . 1 1 41 41 ARG CA C 41 56.365 56.365 56.475 -0.110 25630 1219 1 3 . 1 1 41 41 ARG CB C 41 31.618 31.618 31.194 0.424 25630 1220 1 3 . 1 1 41 41 ARG H H 41 9.046 9.046 8.318 0.728 25630 1221 1 3 . 1 1 42 42 THR N N 42 108.733 108.733 109.389 -0.656 25630 1222 1 3 . 1 1 42 42 THR HA H 42 4.740 4.740 4.504 0.236 25630 1223 1 3 . 1 1 42 42 THR C C 42 174.689 174.689 175.640 -0.951 25630 1224 1 3 . 1 1 42 42 THR CA C 42 58.871 58.871 59.945 -1.074 25630 1225 1 3 . 1 1 42 42 THR CB C 42 72.072 72.072 71.633 0.438 25630 1226 1 3 . 1 1 42 42 THR H H 42 7.739 7.739 7.420 0.319 25630 1227 1 3 . 1 1 43 43 THR N N 43 119.812 119.812 120.945 -1.133 25630 1228 1 3 . 1 1 43 43 THR HA H 43 3.847 3.847 3.953 -0.106 25630 1229 1 3 . 1 1 43 43 THR C C 43 175.620 175.620 176.105 -0.485 25630 1230 1 3 . 1 1 43 43 THR CA C 43 67.260 67.260 66.637 0.623 25630 1231 1 3 . 1 1 43 43 THR CB C 43 68.592 68.592 68.417 0.175 25630 1232 1 3 . 1 1 43 43 THR H H 43 8.836 8.836 8.802 0.034 25630 1233 1 3 . 1 1 44 44 ILE N N 44 118.906 118.906 121.994 -3.088 25630 1234 1 3 . 1 1 44 44 ILE HA H 44 3.757 3.757 3.629 0.128 25630 1235 1 3 . 1 1 44 44 ILE C C 44 178.108 178.108 177.798 0.310 25630 1236 1 3 . 1 1 44 44 ILE CA C 44 63.926 63.926 64.991 -1.065 25630 1237 1 3 . 1 1 44 44 ILE CB C 44 37.142 37.142 37.579 -0.437 25630 1238 1 3 . 1 1 44 44 ILE H H 44 8.101 8.101 8.018 0.083 25630 1239 1 3 . 1 1 45 45 ASP N N 45 122.298 122.298 119.708 2.590 25630 1240 1 3 . 1 1 45 45 ASP HA H 45 4.425 4.425 4.355 0.070 25630 1241 1 3 . 1 1 45 45 ASP C C 45 177.785 177.785 179.193 -1.408 25630 1242 1 3 . 1 1 45 45 ASP CA C 45 57.295 57.295 57.465 -0.170 25630 1243 1 3 . 1 1 45 45 ASP CB C 45 40.548 40.548 40.086 0.462 25630 1244 1 3 . 1 1 45 45 ASP H H 45 7.680 7.680 8.239 -0.559 25630 1245 1 3 . 1 1 46 46 ARG N N 46 120.337 120.337 119.200 1.137 25630 1246 1 3 . 1 1 46 46 ARG HA H 46 3.876 3.876 3.947 -0.071 25630 1247 1 3 . 1 1 46 46 ARG C C 46 177.807 177.807 178.622 -0.815 25630 1248 1 3 . 1 1 46 46 ARG CA C 46 60.277 60.277 59.783 0.494 25630 1249 1 3 . 1 1 46 46 ARG CB C 46 30.939 30.939 30.279 0.660 25630 1250 1 3 . 1 1 46 46 ARG H H 46 8.515 8.515 8.048 0.467 25630 1251 1 3 . 1 1 47 47 ARG N N 47 119.948 119.948 117.915 2.033 25630 1252 1 3 . 1 1 47 47 ARG HA H 47 3.665 3.665 4.109 -0.444 25630 1253 1 3 . 1 1 47 47 ARG C C 47 178.290 178.290 178.737 -0.447 25630 1254 1 3 . 1 1 47 47 ARG CA C 47 60.686 60.686 58.990 1.696 25630 1255 1 3 . 1 1 47 47 ARG CB C 47 29.376 29.376 29.441 -0.065 25630 1256 1 3 . 1 1 47 47 ARG H H 47 8.514 8.514 8.132 0.382 25630 1257 1 3 . 1 1 48 48 THR N N 48 117.694 117.694 117.103 0.591 25630 1258 1 3 . 1 1 48 48 THR HA H 48 3.942 3.942 3.935 0.007 25630 1259 1 3 . 1 1 48 48 THR C C 48 175.681 175.681 176.167 -0.486 25630 1260 1 3 . 1 1 48 48 THR CA C 48 66.372 66.372 67.099 -0.727 25630 1261 1 3 . 1 1 48 48 THR CB C 48 68.274 68.274 68.351 -0.077 25630 1262 1 3 . 1 1 48 48 THR H H 48 8.269 8.269 8.454 -0.185 25630 1263 1 3 . 1 1 49 49 ALA N N 49 124.040 124.040 123.655 0.385 25630 1264 1 3 . 1 1 49 49 ALA HA H 49 3.654 3.654 4.048 -0.394 25630 1265 1 3 . 1 1 49 49 ALA C C 49 177.390 177.390 178.837 -1.447 25630 1266 1 3 . 1 1 49 49 ALA CA C 49 55.805 55.805 55.473 0.332 25630 1267 1 3 . 1 1 49 49 ALA CB C 49 16.984 16.984 18.056 -1.072 25630 1268 1 3 . 1 1 49 49 ALA H H 49 8.550 8.550 7.794 0.756 25630 1269 1 3 . 1 1 50 50 CYS N N 50 116.329 116.329 117.446 -1.117 25630 1270 1 3 . 1 1 50 50 CYS HA H 50 3.545 3.545 4.064 -0.519 25630 1271 1 3 . 1 1 50 50 CYS C C 50 175.828 175.828 177.184 -1.356 25630 1272 1 3 . 1 1 50 50 CYS CA C 50 60.131 60.131 62.099 -1.968 25630 1273 1 3 . 1 1 50 50 CYS CB C 50 34.259 34.259 25.212 9.047 25630 1274 1 3 . 1 1 50 50 CYS H H 50 7.989 7.989 8.282 -0.293 25630 1275 1 3 . 1 1 51 51 ASN N N 51 120.444 120.444 117.746 2.698 25630 1276 1 3 . 1 1 51 51 ASN HA H 51 4.378 4.378 4.691 -0.313 25630 1277 1 3 . 1 1 51 51 ASN C C 51 178.199 178.199 177.525 0.674 25630 1278 1 3 . 1 1 51 51 ASN CA C 51 56.565 56.565 55.422 1.143 25630 1279 1 3 . 1 1 51 51 ASN CB C 51 38.593 38.593 37.673 0.919 25630 1280 1 3 . 1 1 51 51 ASN H H 51 8.323 8.323 8.108 0.215 25630 1281 1 3 . 1 1 52 52 CYS N N 52 119.488 119.488 120.513 -1.025 25630 1282 1 3 . 1 1 52 52 CYS HA H 52 4.373 4.373 4.143 0.230 25630 1283 1 3 . 1 1 52 52 CYS C C 52 177.254 177.254 176.839 0.415 25630 1284 1 3 . 1 1 52 52 CYS CA C 52 57.075 57.075 61.716 -4.641 25630 1285 1 3 . 1 1 52 52 CYS CB C 52 36.261 36.261 25.694 10.567 25630 1286 1 3 . 1 1 52 52 CYS H H 52 8.782 8.782 8.087 0.695 25630 1287 1 3 . 1 1 53 53 LEU N N 53 122.617 122.617 119.002 3.615 25630 1288 1 3 . 1 1 53 53 LEU HA H 53 3.901 3.901 4.334 -0.433 25630 1289 1 3 . 1 1 53 53 LEU C C 53 177.359 177.359 178.575 -1.216 25630 1290 1 3 . 1 1 53 53 LEU CA C 53 57.761 57.761 57.280 0.481 25630 1291 1 3 . 1 1 53 53 LEU CB C 53 41.156 41.156 42.170 -1.014 25630 1292 1 3 . 1 1 53 53 LEU H H 53 8.549 8.549 8.384 0.165 25630 1293 1 3 . 1 1 54 54 LYS N N 54 122.313 122.313 119.118 3.195 25630 1294 1 3 . 1 1 54 54 LYS HA H 54 4.000 4.000 3.835 0.165 25630 1295 1 3 . 1 1 54 54 LYS C C 54 178.656 178.656 179.088 -0.432 25630 1296 1 3 . 1 1 54 54 LYS CA C 54 59.520 59.520 59.475 0.045 25630 1297 1 3 . 1 1 54 54 LYS CB C 54 33.175 33.175 31.639 1.536 25630 1298 1 3 . 1 1 54 54 LYS H H 54 8.409 8.409 7.784 0.625 25630 1299 1 3 . 1 1 55 55 GLN N N 55 117.604 117.604 118.123 -0.519 25630 1300 1 3 . 1 1 55 55 GLN HA H 55 4.122 4.122 4.027 0.095 25630 1301 1 3 . 1 1 55 55 GLN C C 55 179.074 179.074 178.459 0.615 25630 1302 1 3 . 1 1 55 55 GLN CA C 55 58.354 58.354 59.335 -0.981 25630 1303 1 3 . 1 1 55 55 GLN CB C 55 27.875 27.875 28.419 -0.544 25630 1304 1 3 . 1 1 55 55 GLN H H 55 7.735 7.735 8.595 -0.860 25630 1305 1 3 . 1 1 56 56 THR N N 56 118.464 118.464 115.990 2.474 25630 1306 1 3 . 1 1 56 56 THR HA H 56 3.884 3.884 4.027 -0.143 25630 1307 1 3 . 1 1 56 56 THR C C 56 175.389 175.389 176.265 -0.876 25630 1308 1 3 . 1 1 56 56 THR CA C 56 66.829 66.829 65.742 1.087 25630 1309 1 3 . 1 1 56 56 THR CB C 56 68.401 68.401 68.719 -0.318 25630 1310 1 3 . 1 1 56 56 THR H H 56 8.091 8.091 7.708 0.383 25630 1311 1 3 . 1 1 57 57 ALA N N 57 121.609 121.609 123.765 -2.156 25630 1312 1 3 . 1 1 57 57 ALA HA H 57 3.852 3.852 4.092 -0.240 25630 1313 1 3 . 1 1 57 57 ALA C C 57 178.061 178.061 180.211 -2.150 25630 1314 1 3 . 1 1 57 57 ALA CA C 57 54.457 54.457 55.135 -0.678 25630 1315 1 3 . 1 1 57 57 ALA CB C 57 16.448 16.448 18.213 -1.765 25630 1316 1 3 . 1 1 57 57 ALA H H 57 8.619 8.619 8.453 0.166 25630 1317 1 3 . 1 1 58 58 ASN N N 58 113.169 113.169 116.582 -3.413 25630 1318 1 3 . 1 1 58 58 ASN HA H 58 4.446 4.446 4.465 -0.019 25630 1319 1 3 . 1 1 58 58 ASN C C 58 174.706 174.706 176.340 -1.634 25630 1320 1 3 . 1 1 58 58 ASN CA C 58 54.894 54.894 55.395 -0.500 25630 1321 1 3 . 1 1 58 58 ASN CB C 58 39.606 39.606 38.404 1.202 25630 1322 1 3 . 1 1 58 58 ASN H H 58 7.695 7.695 8.507 -0.812 25630 1323 1 3 . 1 1 59 59 ALA N N 59 119.952 119.952 120.438 -0.486 25630 1324 1 3 . 1 1 59 59 ALA HA H 59 4.382 4.382 4.286 0.096 25630 1325 1 3 . 1 1 59 59 ALA C C 59 176.966 176.966 177.884 -0.918 25630 1326 1 3 . 1 1 59 59 ALA CA C 59 52.142 52.142 52.370 -0.228 25630 1327 1 3 . 1 1 59 59 ALA CB C 59 19.235 19.235 19.516 -0.281 25630 1328 1 3 . 1 1 59 59 ALA H H 59 7.506 7.506 7.308 0.198 25630 1329 1 3 . 1 1 60 60 ILE N N 60 120.027 120.027 120.839 -0.812 25630 1330 1 3 . 1 1 60 60 ILE HA H 60 4.067 4.067 3.905 0.162 25630 1331 1 3 . 1 1 60 60 ILE C C 60 175.009 175.009 176.334 -1.325 25630 1332 1 3 . 1 1 60 60 ILE CA C 60 60.557 60.557 61.843 -1.286 25630 1333 1 3 . 1 1 60 60 ILE CB C 60 37.427 37.427 37.871 -0.444 25630 1334 1 3 . 1 1 60 60 ILE H H 60 7.184 7.184 7.334 -0.150 25630 1335 1 3 . 1 1 61 61 ALA N N 61 130.970 130.970 129.956 1.014 25630 1336 1 3 . 1 1 61 61 ALA HA H 61 4.151 4.151 4.087 0.064 25630 1337 1 3 . 1 1 61 61 ALA C C 61 177.709 177.709 177.233 0.476 25630 1338 1 3 . 1 1 61 61 ALA CA C 61 53.789 53.789 54.101 -0.312 25630 1339 1 3 . 1 1 61 61 ALA CB C 61 18.322 18.322 18.977 -0.655 25630 1340 1 3 . 1 1 61 61 ALA H H 61 8.486 8.486 8.626 -0.140 25630 1341 1 3 . 1 1 62 62 ASP N N 62 114.991 114.991 116.204 -1.213 25630 1342 1 3 . 1 1 62 62 ASP HA H 62 4.479 4.479 4.789 -0.310 25630 1343 1 3 . 1 1 62 62 ASP C C 62 174.354 174.354 174.835 -0.481 25630 1344 1 3 . 1 1 62 62 ASP CA C 62 52.461 52.461 53.711 -1.250 25630 1345 1 3 . 1 1 62 62 ASP CB C 62 37.900 37.900 40.947 -3.046 25630 1346 1 3 . 1 1 62 62 ASP H H 62 8.543 8.543 7.876 0.667 25630 1347 1 3 . 1 1 63 63 LEU N N 63 118.657 118.657 121.828 -3.171 25630 1348 1 3 . 1 1 63 63 LEU HA H 63 3.766 3.766 4.500 -0.734 25630 1349 1 3 . 1 1 63 63 LEU C C 63 175.646 175.646 175.046 0.600 25630 1350 1 3 . 1 1 63 63 LEU CA C 63 55.561 55.561 54.356 1.205 25630 1351 1 3 . 1 1 63 63 LEU CB C 63 42.180 42.180 42.761 -0.581 25630 1352 1 3 . 1 1 63 63 LEU H H 63 7.012 7.012 7.655 -0.643 25630 1353 1 3 . 1 1 64 64 ASN N N 64 125.123 125.123 126.669 -1.546 25630 1354 1 3 . 1 1 64 64 ASN HA H 64 4.711 4.711 4.718 -0.007 25630 1355 1 3 . 1 1 64 64 ASN C C 64 175.086 175.086 175.919 -0.833 25630 1356 1 3 . 1 1 64 64 ASN CA C 64 51.664 51.664 51.910 -0.246 25630 1357 1 3 . 1 1 64 64 ASN CB C 64 37.101 37.101 37.865 -0.764 25630 1358 1 3 . 1 1 64 64 ASN H H 64 8.947 8.947 8.252 0.695 25630 1359 1 3 . 1 1 65 65 LEU N N 65 126.541 126.541 124.505 2.036 25630 1360 1 3 . 1 1 65 65 LEU HA H 65 3.915 3.915 3.796 0.119 25630 1361 1 3 . 1 1 65 65 LEU C C 65 179.923 179.923 178.352 1.571 25630 1362 1 3 . 1 1 65 65 LEU CA C 65 57.744 57.744 57.633 0.111 25630 1363 1 3 . 1 1 65 65 LEU CB C 65 40.932 40.932 41.273 -0.341 25630 1364 1 3 . 1 1 65 65 LEU H H 65 8.515 8.515 8.132 0.383 25630 1365 1 3 . 1 1 66 66 ASN N N 66 119.258 119.258 117.776 1.482 25630 1366 1 3 . 1 1 66 66 ASN HA H 66 4.515 4.515 4.551 -0.036 25630 1367 1 3 . 1 1 66 66 ASN C C 66 177.832 177.832 177.158 0.674 25630 1368 1 3 . 1 1 66 66 ASN CA C 66 55.848 55.848 56.051 -0.203 25630 1369 1 3 . 1 1 66 66 ASN CB C 66 37.670 37.670 37.698 -0.028 25630 1370 1 3 . 1 1 66 66 ASN H H 66 8.376 8.376 7.783 0.593 25630 1371 1 3 . 1 1 67 67 ALA N N 67 125.139 125.139 121.781 3.358 25630 1372 1 3 . 1 1 67 67 ALA HA H 67 4.144 4.144 4.235 -0.091 25630 1373 1 3 . 1 1 67 67 ALA C C 67 180.849 180.849 178.716 2.133 25630 1374 1 3 . 1 1 67 67 ALA CA C 67 53.639 53.639 54.071 -0.432 25630 1375 1 3 . 1 1 67 67 ALA CB C 67 17.340 17.340 18.110 -0.770 25630 1376 1 3 . 1 1 67 67 ALA H H 67 7.835 7.835 7.836 -0.001 25630 1377 1 3 . 1 1 68 68 ALA N N 68 119.901 119.901 118.882 1.019 25630 1378 1 3 . 1 1 68 68 ALA HA H 68 3.959 3.959 4.209 -0.250 25630 1379 1 3 . 1 1 68 68 ALA C C 68 178.092 178.092 177.724 0.368 25630 1380 1 3 . 1 1 68 68 ALA CA C 68 54.893 54.893 53.585 1.308 25630 1381 1 3 . 1 1 68 68 ALA CB C 68 17.324 17.324 18.959 -1.635 25630 1382 1 3 . 1 1 68 68 ALA H H 68 8.187 8.187 8.479 -0.292 25630 1383 1 3 . 1 1 69 69 ALA N N 69 118.169 118.169 120.868 -2.699 25630 1384 1 3 . 1 1 69 69 ALA HA H 69 4.233 4.233 4.197 0.036 25630 1385 1 3 . 1 1 69 69 ALA C C 69 179.953 179.953 179.428 0.525 25630 1386 1 3 . 1 1 69 69 ALA CA C 69 54.247 54.247 54.480 -0.233 25630 1387 1 3 . 1 1 69 69 ALA CB C 69 17.943 17.943 19.200 -1.256 25630 1388 1 3 . 1 1 69 69 ALA H H 69 7.987 7.987 7.477 0.510 25630 1389 1 3 . 1 1 70 70 GLY N N 70 102.097 102.097 106.521 -4.424 25630 1390 1 3 . 1 1 70 70 GLY C C 70 173.713 173.713 175.664 -1.951 25630 1391 1 3 . 1 1 70 70 GLY CA C 70 44.759 44.759 46.293 -1.534 25630 1392 1 3 . 1 1 70 70 GLY H H 70 7.736 7.736 7.724 0.012 25630 1393 1 3 . 1 1 71 71 LEU N N 71 121.365 121.365 123.494 -2.129 25630 1394 1 3 . 1 1 71 71 LEU HA H 71 4.384 4.384 4.161 0.223 25630 1395 1 3 . 1 1 71 71 LEU C C 71 173.650 173.650 175.818 -2.168 25630 1396 1 3 . 1 1 71 71 LEU CA C 71 59.180 59.180 59.361 -0.181 25630 1397 1 3 . 1 1 71 71 LEU CB C 71 39.573 39.573 40.050 -0.477 25630 1398 1 3 . 1 1 71 71 LEU H H 71 7.180 7.180 7.655 -0.475 25630 1399 1 3 . 1 1 72 72 PRO HA H 72 3.870 3.870 4.249 -0.379 25630 1400 1 3 . 1 1 72 72 PRO CA C 72 67.297 67.297 65.184 2.113 25630 1401 1 3 . 1 1 72 72 PRO CB C 72 30.585 30.585 30.894 -0.309 25630 1402 1 3 . 1 1 73 73 ALA N N 73 119.120 119.120 119.147 -0.027 25630 1403 1 3 . 1 1 73 73 ALA HA H 73 4.108 4.108 4.118 -0.010 25630 1404 1 3 . 1 1 73 73 ALA C C 73 181.784 181.784 178.966 2.818 25630 1405 1 3 . 1 1 73 73 ALA CA C 73 54.924 54.924 54.314 0.610 25630 1406 1 3 . 1 1 73 73 ALA CB C 73 17.718 17.718 18.373 -0.655 25630 1407 1 3 . 1 1 73 73 ALA H H 73 7.959 7.959 7.787 0.172 25630 1408 1 3 . 1 1 74 74 LYS N N 74 119.785 119.785 117.319 2.466 25630 1409 1 3 . 1 1 74 74 LYS HA H 74 4.059 4.059 4.442 -0.383 25630 1410 1 3 . 1 1 74 74 LYS C C 74 178.488 178.488 178.629 -0.141 25630 1411 1 3 . 1 1 74 74 LYS CA C 74 58.725 58.725 57.335 1.390 25630 1412 1 3 . 1 1 74 74 LYS CB C 74 32.390 32.390 33.383 -0.993 25630 1413 1 3 . 1 1 74 74 LYS H H 74 8.259 8.259 7.559 0.700 25630 1414 1 3 . 1 1 75 75 CYS N N 75 114.446 114.446 117.055 -2.609 25630 1415 1 3 . 1 1 75 75 CYS HA H 75 4.759 4.759 4.091 0.668 25630 1416 1 3 . 1 1 75 75 CYS C C 75 174.445 174.445 175.954 -1.509 25630 1417 1 3 . 1 1 75 75 CYS CA C 75 52.907 52.907 62.268 -9.361 25630 1418 1 3 . 1 1 75 75 CYS CB C 75 35.891 35.891 27.067 8.824 25630 1419 1 3 . 1 1 75 75 CYS H H 75 7.807 7.807 8.498 -0.691 25630 1420 1 3 . 1 1 76 76 GLY N N 76 110.871 110.871 102.597 8.274 25630 1421 1 3 . 1 1 76 76 GLY C C 76 173.789 173.789 175.090 -1.301 25630 1422 1 3 . 1 1 76 76 GLY CA C 76 46.203 46.203 45.239 0.964 25630 1423 1 3 . 1 1 76 76 GLY H H 76 7.987 7.987 7.461 0.526 25630 1424 1 3 . 1 1 77 77 VAL N N 77 119.259 119.259 122.421 -3.162 25630 1425 1 3 . 1 1 77 77 VAL HA H 77 4.149 4.149 4.010 0.139 25630 1426 1 3 . 1 1 77 77 VAL C C 77 173.606 173.606 176.365 -2.759 25630 1427 1 3 . 1 1 77 77 VAL CA C 77 60.010 60.010 61.827 -1.817 25630 1428 1 3 . 1 1 77 77 VAL CB C 77 33.888 33.888 29.813 4.075 25630 1429 1 3 . 1 1 77 77 VAL H H 77 8.168 8.168 7.821 0.347 25630 1430 1 3 . 1 1 78 78 ASN N N 78 125.739 125.739 119.821 5.918 25630 1431 1 3 . 1 1 78 78 ASN HA H 78 4.687 4.687 4.475 0.212 25630 1432 1 3 . 1 1 78 78 ASN C C 78 173.972 173.972 175.573 -1.601 25630 1433 1 3 . 1 1 78 78 ASN CA C 78 51.804 51.804 55.840 -4.036 25630 1434 1 3 . 1 1 78 78 ASN CB C 78 37.522 37.522 38.636 -1.115 25630 1435 1 3 . 1 1 78 78 ASN H H 78 8.595 8.595 7.954 0.641 25630 1436 1 3 . 1 1 79 79 ILE N N 79 123.269 123.269 119.050 4.219 25630 1437 1 3 . 1 1 79 79 ILE HA H 79 4.407 4.407 3.975 0.432 25630 1438 1 3 . 1 1 79 79 ILE C C 79 175.707 175.707 174.860 0.847 25630 1439 1 3 . 1 1 79 79 ILE CA C 79 57.263 57.263 61.882 -4.619 25630 1440 1 3 . 1 1 79 79 ILE CB C 79 38.692 38.692 37.930 0.762 25630 1441 1 3 . 1 1 79 79 ILE H H 79 7.490 7.490 8.131 -0.641 25630 1442 1 3 . 1 1 80 80 PRO HA H 80 4.545 4.545 4.387 0.158 25630 1443 1 3 . 1 1 80 80 PRO C C 80 173.928 173.928 175.455 -1.527 25630 1444 1 3 . 1 1 80 80 PRO CA C 80 63.769 63.769 63.411 0.358 25630 1445 1 3 . 1 1 80 80 PRO CB C 80 30.333 30.333 30.674 -0.341 25630 1446 1 3 . 1 1 81 81 TYR N N 81 115.596 115.596 122.262 -6.666 25630 1447 1 3 . 1 1 81 81 TYR HA H 81 4.756 4.756 4.610 0.146 25630 1448 1 3 . 1 1 81 81 TYR C C 81 172.554 172.554 173.993 -1.439 25630 1449 1 3 . 1 1 81 81 TYR CA C 81 54.217 54.217 58.049 -3.832 25630 1450 1 3 . 1 1 81 81 TYR CB C 81 39.435 39.435 42.102 -2.667 25630 1451 1 3 . 1 1 81 81 TYR H H 81 6.566 6.566 7.903 -1.337 25630 1452 1 3 . 1 1 82 82 LYS N N 82 118.572 118.572 121.309 -2.737 25630 1453 1 3 . 1 1 82 82 LYS HA H 82 4.407 4.407 4.743 -0.336 25630 1454 1 3 . 1 1 82 82 LYS C C 82 176.795 176.795 176.832 -0.037 25630 1455 1 3 . 1 1 82 82 LYS CA C 82 54.523 54.523 54.798 -0.275 25630 1456 1 3 . 1 1 82 82 LYS CB C 82 33.584 33.584 35.140 -1.556 25630 1457 1 3 . 1 1 82 82 LYS H H 82 8.170 8.170 8.480 -0.310 25630 1458 1 3 . 1 1 83 83 ILE N N 83 128.219 128.219 119.722 8.497 25630 1459 1 3 . 1 1 83 83 ILE HA H 83 4.059 4.059 3.989 0.070 25630 1460 1 3 . 1 1 83 83 ILE CA C 83 61.386 61.386 62.007 -0.621 25630 1461 1 3 . 1 1 83 83 ILE CB C 83 35.648 35.648 38.881 -3.233 25630 1462 1 3 . 1 1 83 83 ILE H H 83 9.374 9.374 8.765 0.609 25630 1463 1 3 . 1 1 84 84 SER N N 84 121.442 121.442 110.241 11.201 25630 1464 1 3 . 1 1 84 84 SER HA H 84 4.702 4.702 4.226 0.476 25630 1465 1 3 . 1 1 84 84 SER C C 84 176.398 176.398 173.130 3.268 25630 1466 1 3 . 1 1 84 84 SER CA C 84 54.826 54.826 57.896 -3.070 25630 1467 1 3 . 1 1 84 84 SER CB C 84 64.454 64.454 62.440 2.014 25630 1468 1 3 . 1 1 84 84 SER H H 84 6.689 6.689 8.115 -1.426 25630 1469 1 3 . 1 1 85 85 PRO HA H 85 4.563 4.563 4.380 0.183 25630 1470 1 3 . 1 1 85 85 PRO CA C 85 63.711 63.711 64.013 -0.302 25630 1471 1 3 . 1 1 85 85 PRO CB C 85 31.930 31.930 31.862 0.068 25630 1472 1 3 . 1 1 86 86 SER N N 86 109.474 109.474 115.264 -5.790 25630 1473 1 3 . 1 1 86 86 SER HA H 86 4.638 4.638 4.583 0.055 25630 1474 1 3 . 1 1 86 86 SER CA C 86 56.757 56.757 57.075 -0.318 25630 1475 1 3 . 1 1 86 86 SER CB C 86 63.491 63.491 64.172 -0.681 25630 1476 1 3 . 1 1 86 86 SER H H 86 7.947 7.947 7.729 0.218 25630 1477 1 3 . 1 1 87 87 THR HA H 87 3.809 3.809 4.345 -0.536 25630 1478 1 3 . 1 1 87 87 THR C C 87 171.688 171.688 174.981 -3.293 25630 1479 1 3 . 1 1 87 87 THR CA C 87 63.765 63.765 63.821 -0.056 25630 1480 1 3 . 1 1 87 87 THR CB C 87 69.896 69.896 69.198 0.698 25630 1481 1 3 . 1 1 88 88 ASP N N 88 124.634 124.634 126.808 -2.174 25630 1482 1 3 . 1 1 88 88 ASP HA H 88 4.789 4.789 4.785 0.004 25630 1483 1 3 . 1 1 88 88 ASP CA C 88 51.746 51.746 53.761 -2.015 25630 1484 1 3 . 1 1 88 88 ASP CB C 88 38.906 38.906 41.093 -2.187 25630 1485 1 3 . 1 1 88 88 ASP H H 88 8.628 8.628 8.727 -0.099 25630 1486 1 3 . 1 1 89 89 CYS N N 89 125.452 125.452 118.626 6.826 25630 1487 1 3 . 1 1 89 89 CYS HA H 89 4.425 4.425 4.098 0.327 25630 1488 1 3 . 1 1 89 89 CYS C C 89 175.346 175.346 176.186 -0.840 25630 1489 1 3 . 1 1 89 89 CYS CA C 89 54.899 54.899 60.799 -5.900 25630 1490 1 3 . 1 1 89 89 CYS CB C 89 36.960 36.960 26.355 10.605 25630 1491 1 3 . 1 1 89 89 CYS H H 89 8.647 8.647 8.542 0.105 25630 1492 1 3 . 1 1 90 90 ASN N N 90 116.267 116.267 116.677 -0.410 25630 1493 1 3 . 1 1 90 90 ASN HA H 90 4.456 4.456 4.421 0.035 25630 1494 1 3 . 1 1 90 90 ASN C C 90 175.437 175.437 176.316 -0.879 25630 1495 1 3 . 1 1 90 90 ASN CA C 90 54.691 54.691 55.622 -0.931 25630 1496 1 3 . 1 1 90 90 ASN CB C 90 37.607 37.607 38.127 -0.520 25630 1497 1 3 . 1 1 90 90 ASN H H 90 8.348 8.348 8.552 -0.204 25630 1498 1 3 . 1 1 91 91 ARG N N 91 115.341 115.341 116.766 -1.425 25630 1499 1 3 . 1 1 91 91 ARG HA H 91 4.322 4.322 4.311 0.011 25630 1500 1 3 . 1 1 91 91 ARG C C 91 175.783 175.783 176.506 -0.723 25630 1501 1 3 . 1 1 91 91 ARG CA C 91 54.915 54.915 56.828 -1.913 25630 1502 1 3 . 1 1 91 91 ARG CB C 91 30.145 30.145 31.425 -1.280 25630 1503 1 3 . 1 1 91 91 ARG H H 91 7.133 7.133 7.960 -0.827 25630 1504 1 3 . 1 1 92 92 VAL N N 92 121.309 121.309 121.607 -0.298 25630 1505 1 3 . 1 1 92 92 VAL HA H 92 3.949 3.949 3.718 0.231 25630 1506 1 3 . 1 1 92 92 VAL C C 92 174.084 174.084 175.943 -1.859 25630 1507 1 3 . 1 1 92 92 VAL CA C 92 62.875 62.875 63.094 -0.219 25630 1508 1 3 . 1 1 92 92 VAL CB C 92 32.316 32.316 30.207 2.109 25630 1509 1 3 . 1 1 92 92 VAL H H 92 6.990 6.990 7.903 -0.913 25630 1510 1 4 . 1 1 2 2 THR N N 2 113.980 113.980 112.671 1.309 25630 1511 1 4 . 1 1 2 2 THR HA H 2 4.807 4.807 4.685 0.122 25630 1512 1 4 . 1 1 2 2 THR C C 2 175.361 175.361 175.467 -0.106 25630 1513 1 4 . 1 1 2 2 THR CA C 2 58.659 58.659 59.986 -1.327 25630 1514 1 4 . 1 1 2 2 THR CB C 2 71.525 71.525 71.327 0.198 25630 1515 1 4 . 1 1 2 2 THR H H 2 8.298 8.298 7.887 0.411 25630 1516 1 4 . 1 1 3 3 CYS N N 3 116.929 116.929 120.792 -3.863 25630 1517 1 4 . 1 1 3 3 CYS HA H 3 4.720 4.720 4.124 0.596 25630 1518 1 4 . 1 1 3 3 CYS CA C 3 54.110 54.110 62.717 -8.607 25630 1519 1 4 . 1 1 3 3 CYS CB C 3 31.416 31.416 26.280 5.136 25630 1520 1 4 . 1 1 3 3 CYS H H 3 9.330 9.330 8.649 0.681 25630 1521 1 4 . 1 1 4 4 GLY N N 4 110.525 110.525 108.990 1.535 25630 1522 1 4 . 1 1 4 4 GLY CA C 4 46.883 46.883 47.186 -0.303 25630 1523 1 4 . 1 1 4 4 GLY H H 4 8.739 8.739 7.802 0.937 25630 1524 1 4 . 1 1 5 5 GLN N N 5 121.402 121.402 120.903 0.499 25630 1525 1 4 . 1 1 5 5 GLN HA H 5 4.122 4.122 4.226 -0.104 25630 1526 1 4 . 1 1 5 5 GLN C C 5 178.604 178.604 178.793 -0.189 25630 1527 1 4 . 1 1 5 5 GLN CA C 5 58.066 58.066 57.951 0.115 25630 1528 1 4 . 1 1 5 5 GLN CB C 5 28.797 28.797 28.777 0.020 25630 1529 1 4 . 1 1 5 5 GLN H H 5 7.651 7.651 7.907 -0.256 25630 1530 1 4 . 1 1 6 6 VAL N N 6 120.864 120.864 120.287 0.577 25630 1531 1 4 . 1 1 6 6 VAL HA H 6 3.622 3.622 3.601 0.021 25630 1532 1 4 . 1 1 6 6 VAL C C 6 176.268 176.268 177.826 -1.558 25630 1533 1 4 . 1 1 6 6 VAL CA C 6 65.939 65.939 66.951 -1.012 25630 1534 1 4 . 1 1 6 6 VAL CB C 6 31.034 31.034 30.937 0.097 25630 1535 1 4 . 1 1 6 6 VAL H H 6 7.566 7.566 7.893 -0.327 25630 1536 1 4 . 1 1 7 7 THR N N 7 113.871 113.871 114.876 -1.005 25630 1537 1 4 . 1 1 7 7 THR HA H 7 3.697 3.697 3.978 -0.281 25630 1538 1 4 . 1 1 7 7 THR CA C 7 65.959 65.959 66.364 -0.405 25630 1539 1 4 . 1 1 7 7 THR CB C 7 68.108 68.108 68.350 -0.242 25630 1540 1 4 . 1 1 7 7 THR H H 7 8.835 8.835 8.266 0.569 25630 1541 1 4 . 1 1 8 8 GLY N N 8 108.517 108.517 108.910 -0.393 25630 1542 1 4 . 1 1 8 8 GLY C C 8 175.828 175.828 174.843 0.985 25630 1543 1 4 . 1 1 8 8 GLY CA C 8 46.675 46.675 46.217 0.458 25630 1544 1 4 . 1 1 8 8 GLY H H 8 7.900 7.900 7.585 0.315 25630 1545 1 4 . 1 1 9 9 ALA N N 9 123.446 123.446 122.849 0.597 25630 1546 1 4 . 1 1 9 9 ALA HA H 9 4.160 4.160 4.157 0.003 25630 1547 1 4 . 1 1 9 9 ALA C C 9 177.583 177.583 179.232 -1.649 25630 1548 1 4 . 1 1 9 9 ALA CA C 9 54.053 54.053 54.164 -0.111 25630 1549 1 4 . 1 1 9 9 ALA CB C 9 17.914 17.914 19.508 -1.594 25630 1550 1 4 . 1 1 9 9 ALA H H 9 7.483 7.483 7.614 -0.131 25630 1551 1 4 . 1 1 10 10 LEU N N 10 112.012 112.012 118.411 -6.399 25630 1552 1 4 . 1 1 10 10 LEU HA H 10 4.156 4.156 4.367 -0.211 25630 1553 1 4 . 1 1 10 10 LEU C C 10 177.573 177.573 178.855 -1.282 25630 1554 1 4 . 1 1 10 10 LEU CA C 10 53.384 53.384 55.682 -2.298 25630 1555 1 4 . 1 1 10 10 LEU CB C 10 42.102 42.102 41.202 0.900 25630 1556 1 4 . 1 1 10 10 LEU H H 10 7.279 7.279 7.883 -0.604 25630 1557 1 4 . 1 1 11 11 ALA N N 11 124.705 124.705 124.280 0.425 25630 1558 1 4 . 1 1 11 11 ALA HA H 11 4.251 4.251 4.131 0.120 25630 1559 1 4 . 1 1 11 11 ALA C C 11 176.754 176.754 176.370 0.384 25630 1560 1 4 . 1 1 11 11 ALA CA C 11 56.645 56.645 56.774 -0.129 25630 1561 1 4 . 1 1 11 11 ALA CB C 11 15.503 15.503 16.284 -0.781 25630 1562 1 4 . 1 1 11 11 ALA H H 11 7.517 7.517 8.121 -0.604 25630 1563 1 4 . 1 1 12 12 PRO HA H 12 4.663 4.663 4.486 0.177 25630 1564 1 4 . 1 1 12 12 PRO CA C 12 64.423 64.423 63.947 0.476 25630 1565 1 4 . 1 1 12 12 PRO CB C 12 31.214 31.214 30.821 0.393 25630 1566 1 4 . 1 1 13 13 CYS N N 13 114.976 114.976 116.561 -1.585 25630 1567 1 4 . 1 1 13 13 CYS HA H 13 4.618 4.618 4.759 -0.141 25630 1568 1 4 . 1 1 13 13 CYS C C 13 174.583 174.583 176.102 -1.519 25630 1569 1 4 . 1 1 13 13 CYS CA C 13 53.992 53.992 58.585 -4.593 25630 1570 1 4 . 1 1 13 13 CYS CB C 13 42.898 42.898 27.677 15.221 25630 1571 1 4 . 1 1 13 13 CYS H H 13 8.801 8.801 8.211 0.590 25630 1572 1 4 . 1 1 14 14 LEU N N 14 121.119 121.119 122.934 -1.815 25630 1573 1 4 . 1 1 14 14 LEU HA H 14 3.817 3.817 4.053 -0.236 25630 1574 1 4 . 1 1 14 14 LEU C C 14 177.057 177.057 178.894 -1.837 25630 1575 1 4 . 1 1 14 14 LEU CA C 14 59.303 59.303 59.053 0.250 25630 1576 1 4 . 1 1 14 14 LEU CB C 14 40.871 40.871 40.998 -0.127 25630 1577 1 4 . 1 1 14 14 LEU H H 14 7.665 7.665 8.043 -0.378 25630 1578 1 4 . 1 1 15 15 GLY N N 15 105.845 105.845 106.286 -0.441 25630 1579 1 4 . 1 1 15 15 GLY C C 15 176.947 176.947 174.981 1.966 25630 1580 1 4 . 1 1 15 15 GLY CA C 15 46.859 46.859 47.253 -0.394 25630 1581 1 4 . 1 1 15 15 GLY H H 15 8.322 8.322 8.360 -0.038 25630 1582 1 4 . 1 1 16 16 TYR N N 16 125.900 125.900 121.391 4.509 25630 1583 1 4 . 1 1 16 16 TYR HA H 16 4.004 4.004 4.251 -0.247 25630 1584 1 4 . 1 1 16 16 TYR C C 16 177.192 177.192 178.021 -0.829 25630 1585 1 4 . 1 1 16 16 TYR CA C 16 61.361 61.361 60.153 1.208 25630 1586 1 4 . 1 1 16 16 TYR CB C 16 37.906 37.906 38.549 -0.643 25630 1587 1 4 . 1 1 16 16 TYR H H 16 8.650 8.650 7.987 0.663 25630 1588 1 4 . 1 1 17 17 LEU N N 17 117.280 117.280 118.856 -1.576 25630 1589 1 4 . 1 1 17 17 LEU HA H 17 3.792 3.792 3.927 -0.135 25630 1590 1 4 . 1 1 17 17 LEU C C 17 175.010 175.010 178.726 -3.716 25630 1591 1 4 . 1 1 17 17 LEU CA C 17 56.221 56.221 57.743 -1.522 25630 1592 1 4 . 1 1 17 17 LEU CB C 17 41.476 41.476 41.609 -0.133 25630 1593 1 4 . 1 1 17 17 LEU H H 17 8.419 8.419 8.000 0.419 25630 1594 1 4 . 1 1 18 18 ARG N N 18 115.416 115.416 115.259 0.157 25630 1595 1 4 . 1 1 18 18 ARG HA H 18 4.579 4.579 4.934 -0.355 25630 1596 1 4 . 1 1 18 18 ARG C C 18 175.874 175.874 175.806 0.068 25630 1597 1 4 . 1 1 18 18 ARG CA C 18 55.322 55.322 55.560 -0.238 25630 1598 1 4 . 1 1 18 18 ARG CB C 18 30.375 30.375 30.334 0.041 25630 1599 1 4 . 1 1 18 18 ARG H H 18 7.212 7.212 8.100 -0.888 25630 1600 1 4 . 1 1 19 19 THR N N 19 117.095 117.095 118.074 -0.979 25630 1601 1 4 . 1 1 19 19 THR HA H 19 4.296 4.296 4.294 0.002 25630 1602 1 4 . 1 1 19 19 THR C C 19 173.038 173.038 173.330 -0.292 25630 1603 1 4 . 1 1 19 19 THR CA C 19 62.270 62.270 62.372 -0.102 25630 1604 1 4 . 1 1 19 19 THR CB C 19 69.436 69.436 69.641 -0.205 25630 1605 1 4 . 1 1 19 19 THR H H 19 7.462 7.462 7.462 -0.000 25630 1606 1 4 . 1 1 20 20 ALA N N 20 128.239 128.239 130.284 -2.045 25630 1607 1 4 . 1 1 20 20 ALA HA H 20 4.151 4.151 4.430 -0.279 25630 1608 1 4 . 1 1 20 20 ALA C C 20 177.148 177.148 177.053 0.095 25630 1609 1 4 . 1 1 20 20 ALA CA C 20 52.378 52.378 52.180 0.198 25630 1610 1 4 . 1 1 20 20 ALA CB C 20 18.697 18.697 19.431 -0.734 25630 1611 1 4 . 1 1 20 20 ALA H H 20 8.607 8.607 8.431 0.176 25630 1612 1 4 . 1 1 21 21 GLY N N 21 106.473 106.473 112.692 -6.219 25630 1613 1 4 . 1 1 21 21 GLY C C 21 173.046 173.046 173.416 -0.370 25630 1614 1 4 . 1 1 21 21 GLY CA C 21 44.516 44.516 44.512 0.004 25630 1615 1 4 . 1 1 21 21 GLY H H 21 8.207 8.207 8.383 -0.176 25630 1616 1 4 . 1 1 22 22 SER N N 22 115.592 115.592 117.242 -1.650 25630 1617 1 4 . 1 1 22 22 SER HA H 22 4.684 4.684 4.753 -0.070 25630 1618 1 4 . 1 1 22 22 SER CA C 22 56.763 56.763 58.294 -1.531 25630 1619 1 4 . 1 1 22 22 SER CB C 22 62.875 62.875 63.501 -0.626 25630 1620 1 4 . 1 1 22 22 SER H H 22 8.177 8.177 8.209 -0.032 25630 1621 1 4 . 1 1 23 23 VAL N N 23 120.568 120.568 121.030 -0.462 25630 1622 1 4 . 1 1 23 23 VAL HA H 23 4.817 4.817 4.547 0.270 25630 1623 1 4 . 1 1 23 23 VAL CA C 23 58.256 58.256 59.441 -1.185 25630 1624 1 4 . 1 1 23 23 VAL CB C 23 32.614 32.614 33.674 -1.060 25630 1625 1 4 . 1 1 23 23 VAL H H 23 8.110 8.110 7.972 0.138 25630 1626 1 4 . 1 1 24 24 PRO HA H 24 4.400 4.400 4.562 -0.162 25630 1627 1 4 . 1 1 24 24 PRO CA C 24 62.104 62.104 62.724 -0.620 25630 1628 1 4 . 1 1 24 24 PRO CB C 24 31.625 31.625 32.404 -0.779 25630 1629 1 4 . 1 1 25 25 VAL N N 25 122.444 122.444 121.605 0.839 25630 1630 1 4 . 1 1 25 25 VAL HA H 25 3.666 3.666 3.620 0.046 25630 1631 1 4 . 1 1 25 25 VAL C C 25 174.735 174.735 174.745 -0.010 25630 1632 1 4 . 1 1 25 25 VAL CA C 25 58.474 58.474 60.793 -2.319 25630 1633 1 4 . 1 1 25 25 VAL CB C 25 32.625 32.625 31.699 0.926 25630 1634 1 4 . 1 1 25 25 VAL H H 25 8.187 8.187 8.373 -0.186 25630 1635 1 4 . 1 1 26 26 PRO HA H 26 4.437 4.437 4.307 0.130 25630 1636 1 4 . 1 1 26 26 PRO CA C 26 62.431 62.431 62.333 0.098 25630 1637 1 4 . 1 1 26 26 PRO CB C 26 32.069 32.069 31.972 0.097 25630 1638 1 4 . 1 1 27 27 LEU N N 27 128.747 128.747 127.105 1.642 25630 1639 1 4 . 1 1 27 27 LEU HA H 27 3.982 3.982 4.000 -0.018 25630 1640 1 4 . 1 1 27 27 LEU C C 27 178.619 178.619 178.703 -0.084 25630 1641 1 4 . 1 1 27 27 LEU CA C 27 58.471 58.471 58.805 -0.334 25630 1642 1 4 . 1 1 27 27 LEU CB C 27 41.085 41.085 40.462 0.623 25630 1643 1 4 . 1 1 27 27 LEU H H 27 8.871 8.871 8.625 0.246 25630 1644 1 4 . 1 1 28 28 THR N N 28 107.667 107.667 111.802 -4.135 25630 1645 1 4 . 1 1 28 28 THR HA H 28 3.962 3.962 3.907 0.055 25630 1646 1 4 . 1 1 28 28 THR C C 28 177.771 177.771 176.405 1.366 25630 1647 1 4 . 1 1 28 28 THR CA C 28 64.160 64.160 65.897 -1.737 25630 1648 1 4 . 1 1 28 28 THR CB C 28 67.597 67.597 67.890 -0.293 25630 1649 1 4 . 1 1 28 28 THR H H 28 8.219 8.219 8.217 0.002 25630 1650 1 4 . 1 1 29 29 CYS N N 29 118.564 118.564 121.354 -2.790 25630 1651 1 4 . 1 1 29 29 CYS HA H 29 4.471 4.471 4.305 0.166 25630 1652 1 4 . 1 1 29 29 CYS C C 29 175.191 175.191 177.110 -1.919 25630 1653 1 4 . 1 1 29 29 CYS CA C 29 58.136 58.136 60.800 -2.664 25630 1654 1 4 . 1 1 29 29 CYS CB C 29 37.170 37.170 25.551 11.619 25630 1655 1 4 . 1 1 29 29 CYS H H 29 7.177 7.177 8.027 -0.850 25630 1656 1 4 . 1 1 30 30 CYS N N 30 117.371 117.371 120.929 -3.558 25630 1657 1 4 . 1 1 30 30 CYS HA H 30 4.656 4.656 4.025 0.631 25630 1658 1 4 . 1 1 30 30 CYS C C 30 177.101 177.101 177.301 -0.200 25630 1659 1 4 . 1 1 30 30 CYS CA C 30 54.440 54.440 63.774 -9.334 25630 1660 1 4 . 1 1 30 30 CYS CB C 30 31.989 31.989 25.762 6.228 25630 1661 1 4 . 1 1 30 30 CYS H H 30 7.522 7.522 8.140 -0.618 25630 1662 1 4 . 1 1 31 31 ASN N N 31 119.039 119.039 118.302 0.737 25630 1663 1 4 . 1 1 31 31 ASN HA H 31 4.468 4.468 4.392 0.076 25630 1664 1 4 . 1 1 31 31 ASN C C 31 178.119 178.119 177.721 0.398 25630 1665 1 4 . 1 1 31 31 ASN CA C 31 55.778 55.778 57.086 -1.308 25630 1666 1 4 . 1 1 31 31 ASN CB C 31 36.964 36.964 37.903 -0.939 25630 1667 1 4 . 1 1 31 31 ASN H H 31 8.703 8.703 8.174 0.529 25630 1668 1 4 . 1 1 32 32 GLY N N 32 111.440 111.440 108.052 3.388 25630 1669 1 4 . 1 1 32 32 GLY C C 32 175.147 175.147 175.804 -0.657 25630 1670 1 4 . 1 1 32 32 GLY CA C 32 47.058 47.058 46.625 0.433 25630 1671 1 4 . 1 1 32 32 GLY H H 32 7.744 7.744 7.748 -0.004 25630 1672 1 4 . 1 1 33 33 VAL N N 33 122.106 122.106 122.932 -0.826 25630 1673 1 4 . 1 1 33 33 VAL HA H 33 3.470 3.470 3.518 -0.048 25630 1674 1 4 . 1 1 33 33 VAL C C 33 177.344 177.344 177.548 -0.204 25630 1675 1 4 . 1 1 33 33 VAL CA C 33 66.135 66.135 66.874 -0.739 25630 1676 1 4 . 1 1 33 33 VAL CB C 33 31.530 31.530 31.615 -0.085 25630 1677 1 4 . 1 1 33 33 VAL H H 33 8.139 8.139 7.677 0.462 25630 1678 1 4 . 1 1 34 34 ARG N N 34 119.957 119.957 120.014 -0.057 25630 1679 1 4 . 1 1 34 34 ARG HA H 34 3.869 3.869 3.957 -0.088 25630 1680 1 4 . 1 1 34 34 ARG C C 34 178.641 178.641 178.574 0.067 25630 1681 1 4 . 1 1 34 34 ARG CA C 34 59.563 59.563 59.443 0.120 25630 1682 1 4 . 1 1 34 34 ARG CB C 34 29.978 29.978 29.655 0.323 25630 1683 1 4 . 1 1 34 34 ARG H H 34 8.452 8.452 8.665 -0.213 25630 1684 1 4 . 1 1 35 35 GLY N N 35 106.891 106.891 106.785 0.106 25630 1685 1 4 . 1 1 35 35 GLY C C 35 176.413 176.413 176.617 -0.204 25630 1686 1 4 . 1 1 35 35 GLY CA C 35 46.653 46.653 46.728 -0.075 25630 1687 1 4 . 1 1 35 35 GLY H H 35 8.062 8.062 7.795 0.267 25630 1688 1 4 . 1 1 36 36 LEU N N 36 123.784 123.784 123.161 0.623 25630 1689 1 4 . 1 1 36 36 LEU HA H 36 4.077 4.077 3.944 0.133 25630 1690 1 4 . 1 1 36 36 LEU C C 36 177.848 177.848 178.262 -0.414 25630 1691 1 4 . 1 1 36 36 LEU CA C 36 57.160 57.160 57.818 -0.658 25630 1692 1 4 . 1 1 36 36 LEU CB C 36 41.162 41.162 41.713 -0.551 25630 1693 1 4 . 1 1 36 36 LEU H H 36 8.119 8.119 7.730 0.389 25630 1694 1 4 . 1 1 37 37 ASN N N 37 116.442 116.442 117.066 -0.624 25630 1695 1 4 . 1 1 37 37 ASN HA H 37 4.507 4.507 4.335 0.172 25630 1696 1 4 . 1 1 37 37 ASN C C 37 176.799 176.799 176.998 -0.199 25630 1697 1 4 . 1 1 37 37 ASN CA C 37 55.501 55.501 56.476 -0.975 25630 1698 1 4 . 1 1 37 37 ASN CB C 37 38.980 38.980 38.498 0.482 25630 1699 1 4 . 1 1 37 37 ASN H H 37 7.847 7.847 7.999 -0.152 25630 1700 1 4 . 1 1 38 38 ASN N N 38 115.049 115.049 117.367 -2.318 25630 1701 1 4 . 1 1 38 38 ASN HA H 38 4.421 4.421 4.652 -0.231 25630 1702 1 4 . 1 1 38 38 ASN C C 38 175.620 175.620 175.696 -0.076 25630 1703 1 4 . 1 1 38 38 ASN CA C 38 54.393 54.393 54.684 -0.291 25630 1704 1 4 . 1 1 38 38 ASN CB C 38 38.079 38.079 39.271 -1.192 25630 1705 1 4 . 1 1 38 38 ASN H H 38 7.982 7.982 7.667 0.315 25630 1706 1 4 . 1 1 39 39 ALA N N 39 119.826 119.826 122.253 -2.427 25630 1707 1 4 . 1 1 39 39 ALA HA H 39 4.269 4.269 4.188 0.081 25630 1708 1 4 . 1 1 39 39 ALA C C 39 176.587 176.587 177.817 -1.230 25630 1709 1 4 . 1 1 39 39 ALA CA C 39 52.527 52.527 53.867 -1.340 25630 1710 1 4 . 1 1 39 39 ALA CB C 39 18.507 18.507 19.320 -0.813 25630 1711 1 4 . 1 1 39 39 ALA H H 39 7.624 7.624 7.802 -0.178 25630 1712 1 4 . 1 1 40 40 ALA N N 40 120.950 120.950 121.179 -0.229 25630 1713 1 4 . 1 1 40 40 ALA HA H 40 4.642 4.642 4.342 0.300 25630 1714 1 4 . 1 1 40 40 ALA C C 40 174.615 174.615 176.844 -2.229 25630 1715 1 4 . 1 1 40 40 ALA CA C 40 50.169 50.169 51.445 -1.276 25630 1716 1 4 . 1 1 40 40 ALA CB C 40 17.604 17.604 18.701 -1.097 25630 1717 1 4 . 1 1 40 40 ALA H H 40 7.290 7.290 7.738 -0.448 25630 1718 1 4 . 1 1 41 41 ARG N N 41 122.802 122.802 123.552 -0.750 25630 1719 1 4 . 1 1 41 41 ARG HA H 41 4.478 4.478 4.303 0.175 25630 1720 1 4 . 1 1 41 41 ARG C C 41 176.177 176.177 175.621 0.556 25630 1721 1 4 . 1 1 41 41 ARG CA C 41 56.365 56.365 56.650 -0.285 25630 1722 1 4 . 1 1 41 41 ARG CB C 41 31.618 31.618 30.512 1.106 25630 1723 1 4 . 1 1 41 41 ARG H H 41 9.046 9.046 8.084 0.962 25630 1724 1 4 . 1 1 42 42 THR N N 42 108.733 108.733 110.775 -2.042 25630 1725 1 4 . 1 1 42 42 THR HA H 42 4.740 4.740 4.503 0.237 25630 1726 1 4 . 1 1 42 42 THR C C 42 174.689 174.689 175.547 -0.858 25630 1727 1 4 . 1 1 42 42 THR CA C 42 58.871 58.871 60.565 -1.694 25630 1728 1 4 . 1 1 42 42 THR CB C 42 72.072 72.072 71.100 0.972 25630 1729 1 4 . 1 1 42 42 THR H H 42 7.739 7.739 7.539 0.200 25630 1730 1 4 . 1 1 43 43 THR N N 43 119.812 119.812 121.033 -1.221 25630 1731 1 4 . 1 1 43 43 THR HA H 43 3.847 3.847 3.985 -0.138 25630 1732 1 4 . 1 1 43 43 THR C C 43 175.620 175.620 176.186 -0.566 25630 1733 1 4 . 1 1 43 43 THR CA C 43 67.260 67.260 66.776 0.484 25630 1734 1 4 . 1 1 43 43 THR CB C 43 68.592 68.592 68.534 0.058 25630 1735 1 4 . 1 1 43 43 THR H H 43 8.836 8.836 8.768 0.068 25630 1736 1 4 . 1 1 44 44 ILE N N 44 118.906 118.906 121.882 -2.976 25630 1737 1 4 . 1 1 44 44 ILE HA H 44 3.757 3.757 3.675 0.082 25630 1738 1 4 . 1 1 44 44 ILE C C 44 178.108 178.108 177.590 0.518 25630 1739 1 4 . 1 1 44 44 ILE CA C 44 63.926 63.926 63.726 0.200 25630 1740 1 4 . 1 1 44 44 ILE CB C 44 37.142 37.142 37.329 -0.187 25630 1741 1 4 . 1 1 44 44 ILE H H 44 8.101 8.101 8.055 0.046 25630 1742 1 4 . 1 1 45 45 ASP N N 45 122.298 122.298 119.900 2.398 25630 1743 1 4 . 1 1 45 45 ASP HA H 45 4.425 4.425 4.369 0.056 25630 1744 1 4 . 1 1 45 45 ASP C C 45 177.785 177.785 179.090 -1.305 25630 1745 1 4 . 1 1 45 45 ASP CA C 45 57.295 57.295 57.440 -0.145 25630 1746 1 4 . 1 1 45 45 ASP CB C 45 40.548 40.548 40.006 0.542 25630 1747 1 4 . 1 1 45 45 ASP H H 45 7.680 7.680 8.277 -0.597 25630 1748 1 4 . 1 1 46 46 ARG N N 46 120.337 120.337 119.054 1.283 25630 1749 1 4 . 1 1 46 46 ARG HA H 46 3.876 3.876 4.088 -0.212 25630 1750 1 4 . 1 1 46 46 ARG C C 46 177.807 177.807 178.633 -0.826 25630 1751 1 4 . 1 1 46 46 ARG CA C 46 60.277 60.277 58.588 1.689 25630 1752 1 4 . 1 1 46 46 ARG CB C 46 30.939 30.939 30.067 0.872 25630 1753 1 4 . 1 1 46 46 ARG H H 46 8.515 8.515 8.066 0.449 25630 1754 1 4 . 1 1 47 47 ARG N N 47 119.948 119.948 118.459 1.489 25630 1755 1 4 . 1 1 47 47 ARG HA H 47 3.665 3.665 4.110 -0.445 25630 1756 1 4 . 1 1 47 47 ARG C C 47 178.290 178.290 178.672 -0.382 25630 1757 1 4 . 1 1 47 47 ARG CA C 47 60.686 60.686 59.624 1.062 25630 1758 1 4 . 1 1 47 47 ARG CB C 47 29.376 29.376 29.434 -0.059 25630 1759 1 4 . 1 1 47 47 ARG H H 47 8.514 8.514 8.208 0.306 25630 1760 1 4 . 1 1 48 48 THR N N 48 117.694 117.694 117.417 0.277 25630 1761 1 4 . 1 1 48 48 THR HA H 48 3.942 3.942 3.930 0.012 25630 1762 1 4 . 1 1 48 48 THR C C 48 175.681 175.681 176.540 -0.859 25630 1763 1 4 . 1 1 48 48 THR CA C 48 66.372 66.372 67.105 -0.733 25630 1764 1 4 . 1 1 48 48 THR CB C 48 68.274 68.274 68.710 -0.436 25630 1765 1 4 . 1 1 48 48 THR H H 48 8.269 8.269 8.367 -0.098 25630 1766 1 4 . 1 1 49 49 ALA N N 49 124.040 124.040 122.544 1.496 25630 1767 1 4 . 1 1 49 49 ALA HA H 49 3.654 3.654 3.981 -0.327 25630 1768 1 4 . 1 1 49 49 ALA C C 49 177.390 177.390 178.678 -1.288 25630 1769 1 4 . 1 1 49 49 ALA CA C 49 55.805 55.805 55.279 0.526 25630 1770 1 4 . 1 1 49 49 ALA CB C 49 16.984 16.984 18.132 -1.148 25630 1771 1 4 . 1 1 49 49 ALA H H 49 8.550 8.550 7.742 0.808 25630 1772 1 4 . 1 1 50 50 CYS N N 50 116.329 116.329 118.564 -2.235 25630 1773 1 4 . 1 1 50 50 CYS HA H 50 3.545 3.545 3.993 -0.448 25630 1774 1 4 . 1 1 50 50 CYS C C 50 175.828 175.828 176.807 -0.979 25630 1775 1 4 . 1 1 50 50 CYS CA C 50 60.131 60.131 62.810 -2.679 25630 1776 1 4 . 1 1 50 50 CYS CB C 50 34.259 34.259 25.992 8.267 25630 1777 1 4 . 1 1 50 50 CYS H H 50 7.989 7.989 8.116 -0.127 25630 1778 1 4 . 1 1 51 51 ASN N N 51 120.444 120.444 118.934 1.510 25630 1779 1 4 . 1 1 51 51 ASN HA H 51 4.378 4.378 4.359 0.019 25630 1780 1 4 . 1 1 51 51 ASN C C 51 178.199 178.199 177.550 0.649 25630 1781 1 4 . 1 1 51 51 ASN CA C 51 56.565 56.565 57.513 -0.948 25630 1782 1 4 . 1 1 51 51 ASN CB C 51 38.593 38.593 38.131 0.462 25630 1783 1 4 . 1 1 51 51 ASN H H 51 8.323 8.323 8.564 -0.241 25630 1784 1 4 . 1 1 52 52 CYS N N 52 119.488 119.488 118.014 1.474 25630 1785 1 4 . 1 1 52 52 CYS HA H 52 4.373 4.373 4.229 0.144 25630 1786 1 4 . 1 1 52 52 CYS C C 52 177.254 177.254 177.045 0.209 25630 1787 1 4 . 1 1 52 52 CYS CA C 52 57.075 57.075 62.186 -5.111 25630 1788 1 4 . 1 1 52 52 CYS CB C 52 36.261 36.261 26.008 10.253 25630 1789 1 4 . 1 1 52 52 CYS H H 52 8.782 8.782 7.736 1.046 25630 1790 1 4 . 1 1 53 53 LEU N N 53 122.617 122.617 120.926 1.691 25630 1791 1 4 . 1 1 53 53 LEU HA H 53 3.901 3.901 4.075 -0.174 25630 1792 1 4 . 1 1 53 53 LEU C C 53 177.359 177.359 178.719 -1.360 25630 1793 1 4 . 1 1 53 53 LEU CA C 53 57.761 57.761 57.354 0.407 25630 1794 1 4 . 1 1 53 53 LEU CB C 53 41.156 41.156 42.189 -1.033 25630 1795 1 4 . 1 1 53 53 LEU H H 53 8.549 8.549 8.268 0.281 25630 1796 1 4 . 1 1 54 54 LYS N N 54 122.313 122.313 118.917 3.396 25630 1797 1 4 . 1 1 54 54 LYS HA H 54 4.000 4.000 3.924 0.076 25630 1798 1 4 . 1 1 54 54 LYS C C 54 178.656 178.656 179.542 -0.886 25630 1799 1 4 . 1 1 54 54 LYS CA C 54 59.520 59.520 58.819 0.701 25630 1800 1 4 . 1 1 54 54 LYS CB C 54 33.175 33.175 31.179 1.996 25630 1801 1 4 . 1 1 54 54 LYS H H 54 8.409 8.409 8.456 -0.047 25630 1802 1 4 . 1 1 55 55 GLN N N 55 117.604 117.604 117.882 -0.278 25630 1803 1 4 . 1 1 55 55 GLN HA H 55 4.122 4.122 4.052 0.070 25630 1804 1 4 . 1 1 55 55 GLN C C 55 179.074 179.074 178.261 0.813 25630 1805 1 4 . 1 1 55 55 GLN CA C 55 58.354 58.354 58.904 -0.550 25630 1806 1 4 . 1 1 55 55 GLN CB C 55 27.875 27.875 28.093 -0.218 25630 1807 1 4 . 1 1 55 55 GLN H H 55 7.735 7.735 8.007 -0.272 25630 1808 1 4 . 1 1 56 56 THR N N 56 118.464 118.464 117.143 1.321 25630 1809 1 4 . 1 1 56 56 THR HA H 56 3.884 3.884 3.975 -0.091 25630 1810 1 4 . 1 1 56 56 THR C C 56 175.389 175.389 176.283 -0.894 25630 1811 1 4 . 1 1 56 56 THR CA C 56 66.829 66.829 66.261 0.568 25630 1812 1 4 . 1 1 56 56 THR CB C 56 68.401 68.401 68.353 0.048 25630 1813 1 4 . 1 1 56 56 THR H H 56 8.091 8.091 7.811 0.280 25630 1814 1 4 . 1 1 57 57 ALA N N 57 121.609 121.609 123.897 -2.288 25630 1815 1 4 . 1 1 57 57 ALA HA H 57 3.852 3.852 3.966 -0.114 25630 1816 1 4 . 1 1 57 57 ALA C C 57 178.061 178.061 178.856 -0.795 25630 1817 1 4 . 1 1 57 57 ALA CA C 57 54.457 54.457 55.151 -0.694 25630 1818 1 4 . 1 1 57 57 ALA CB C 57 16.448 16.448 18.400 -1.952 25630 1819 1 4 . 1 1 57 57 ALA H H 57 8.619 8.619 8.103 0.516 25630 1820 1 4 . 1 1 58 58 ASN N N 58 113.169 113.169 115.176 -2.007 25630 1821 1 4 . 1 1 58 58 ASN HA H 58 4.446 4.446 4.513 -0.067 25630 1822 1 4 . 1 1 58 58 ASN C C 58 174.706 174.706 176.516 -1.810 25630 1823 1 4 . 1 1 58 58 ASN CA C 58 54.894 54.894 54.829 0.065 25630 1824 1 4 . 1 1 58 58 ASN CB C 58 39.606 39.606 38.424 1.182 25630 1825 1 4 . 1 1 58 58 ASN H H 58 7.695 7.695 8.114 -0.419 25630 1826 1 4 . 1 1 59 59 ALA N N 59 119.952 119.952 121.298 -1.346 25630 1827 1 4 . 1 1 59 59 ALA HA H 59 4.382 4.382 4.312 0.070 25630 1828 1 4 . 1 1 59 59 ALA C C 59 176.966 176.966 178.251 -1.285 25630 1829 1 4 . 1 1 59 59 ALA CA C 59 52.142 52.142 52.567 -0.425 25630 1830 1 4 . 1 1 59 59 ALA CB C 59 19.235 19.235 19.735 -0.500 25630 1831 1 4 . 1 1 59 59 ALA H H 59 7.506 7.506 7.653 -0.147 25630 1832 1 4 . 1 1 60 60 ILE N N 60 120.027 120.027 121.134 -1.107 25630 1833 1 4 . 1 1 60 60 ILE HA H 60 4.067 4.067 3.809 0.258 25630 1834 1 4 . 1 1 60 60 ILE C C 60 175.009 175.009 176.556 -1.547 25630 1835 1 4 . 1 1 60 60 ILE CA C 60 60.557 60.557 62.597 -2.040 25630 1836 1 4 . 1 1 60 60 ILE CB C 60 37.427 37.427 37.096 0.330 25630 1837 1 4 . 1 1 60 60 ILE H H 60 7.184 7.184 8.240 -1.056 25630 1838 1 4 . 1 1 61 61 ALA N N 61 130.970 130.970 130.083 0.887 25630 1839 1 4 . 1 1 61 61 ALA HA H 61 4.151 4.151 4.124 0.027 25630 1840 1 4 . 1 1 61 61 ALA C C 61 177.709 177.709 177.510 0.199 25630 1841 1 4 . 1 1 61 61 ALA CA C 61 53.789 53.789 54.033 -0.244 25630 1842 1 4 . 1 1 61 61 ALA CB C 61 18.322 18.322 18.677 -0.354 25630 1843 1 4 . 1 1 61 61 ALA H H 61 8.486 8.486 8.581 -0.095 25630 1844 1 4 . 1 1 62 62 ASP N N 62 114.991 114.991 117.462 -2.471 25630 1845 1 4 . 1 1 62 62 ASP HA H 62 4.479 4.479 4.727 -0.248 25630 1846 1 4 . 1 1 62 62 ASP C C 62 174.354 174.354 174.985 -0.631 25630 1847 1 4 . 1 1 62 62 ASP CA C 62 52.461 52.461 53.875 -1.414 25630 1848 1 4 . 1 1 62 62 ASP CB C 62 37.900 37.900 40.875 -2.975 25630 1849 1 4 . 1 1 62 62 ASP H H 62 8.543 8.543 8.091 0.452 25630 1850 1 4 . 1 1 63 63 LEU N N 63 118.657 118.657 122.324 -3.667 25630 1851 1 4 . 1 1 63 63 LEU HA H 63 3.766 3.766 4.330 -0.564 25630 1852 1 4 . 1 1 63 63 LEU C C 63 175.646 175.646 175.249 0.397 25630 1853 1 4 . 1 1 63 63 LEU CA C 63 55.561 55.561 54.907 0.654 25630 1854 1 4 . 1 1 63 63 LEU CB C 63 42.180 42.180 42.221 -0.041 25630 1855 1 4 . 1 1 63 63 LEU H H 63 7.012 7.012 7.333 -0.321 25630 1856 1 4 . 1 1 64 64 ASN N N 64 125.123 125.123 126.233 -1.110 25630 1857 1 4 . 1 1 64 64 ASN HA H 64 4.711 4.711 4.669 0.042 25630 1858 1 4 . 1 1 64 64 ASN C C 64 175.086 175.086 175.976 -0.890 25630 1859 1 4 . 1 1 64 64 ASN CA C 64 51.664 51.664 52.575 -0.911 25630 1860 1 4 . 1 1 64 64 ASN CB C 64 37.101 37.101 38.292 -1.191 25630 1861 1 4 . 1 1 64 64 ASN H H 64 8.947 8.947 8.267 0.680 25630 1862 1 4 . 1 1 65 65 LEU N N 65 126.541 126.541 125.616 0.925 25630 1863 1 4 . 1 1 65 65 LEU HA H 65 3.915 3.915 3.723 0.192 25630 1864 1 4 . 1 1 65 65 LEU C C 65 179.923 179.923 178.319 1.604 25630 1865 1 4 . 1 1 65 65 LEU CA C 65 57.744 57.744 58.224 -0.480 25630 1866 1 4 . 1 1 65 65 LEU CB C 65 40.932 40.932 41.525 -0.593 25630 1867 1 4 . 1 1 65 65 LEU H H 65 8.515 8.515 8.149 0.366 25630 1868 1 4 . 1 1 66 66 ASN N N 66 119.258 119.258 116.884 2.374 25630 1869 1 4 . 1 1 66 66 ASN HA H 66 4.515 4.515 4.396 0.119 25630 1870 1 4 . 1 1 66 66 ASN C C 66 177.832 177.832 177.112 0.720 25630 1871 1 4 . 1 1 66 66 ASN CA C 66 55.848 55.848 56.504 -0.656 25630 1872 1 4 . 1 1 66 66 ASN CB C 66 37.670 37.670 37.410 0.260 25630 1873 1 4 . 1 1 66 66 ASN H H 66 8.376 8.376 7.999 0.377 25630 1874 1 4 . 1 1 67 67 ALA N N 67 125.139 125.139 122.715 2.424 25630 1875 1 4 . 1 1 67 67 ALA HA H 67 4.144 4.144 4.070 0.074 25630 1876 1 4 . 1 1 67 67 ALA C C 67 180.849 180.849 178.940 1.909 25630 1877 1 4 . 1 1 67 67 ALA CA C 67 53.639 53.639 54.873 -1.234 25630 1878 1 4 . 1 1 67 67 ALA CB C 67 17.340 17.340 18.133 -0.793 25630 1879 1 4 . 1 1 67 67 ALA H H 67 7.835 7.835 7.720 0.115 25630 1880 1 4 . 1 1 68 68 ALA N N 68 119.901 119.901 119.653 0.248 25630 1881 1 4 . 1 1 68 68 ALA HA H 68 3.959 3.959 4.043 -0.084 25630 1882 1 4 . 1 1 68 68 ALA C C 68 178.092 178.092 178.362 -0.270 25630 1883 1 4 . 1 1 68 68 ALA CA C 68 54.893 54.893 54.279 0.614 25630 1884 1 4 . 1 1 68 68 ALA CB C 68 17.324 17.324 18.383 -1.059 25630 1885 1 4 . 1 1 68 68 ALA H H 68 8.187 8.187 8.385 -0.198 25630 1886 1 4 . 1 1 69 69 ALA N N 69 118.169 118.169 120.251 -2.082 25630 1887 1 4 . 1 1 69 69 ALA HA H 69 4.233 4.233 4.217 0.016 25630 1888 1 4 . 1 1 69 69 ALA C C 69 179.953 179.953 179.357 0.596 25630 1889 1 4 . 1 1 69 69 ALA CA C 69 54.247 54.247 54.128 0.119 25630 1890 1 4 . 1 1 69 69 ALA CB C 69 17.943 17.943 19.623 -1.680 25630 1891 1 4 . 1 1 69 69 ALA H H 69 7.987 7.987 7.493 0.494 25630 1892 1 4 . 1 1 70 70 GLY N N 70 102.097 102.097 107.472 -5.375 25630 1893 1 4 . 1 1 70 70 GLY C C 70 173.713 173.713 175.830 -2.117 25630 1894 1 4 . 1 1 70 70 GLY CA C 70 44.759 44.759 46.230 -1.471 25630 1895 1 4 . 1 1 70 70 GLY H H 70 7.736 7.736 8.110 -0.374 25630 1896 1 4 . 1 1 71 71 LEU N N 71 121.365 121.365 123.570 -2.205 25630 1897 1 4 . 1 1 71 71 LEU HA H 71 4.384 4.384 4.187 0.197 25630 1898 1 4 . 1 1 71 71 LEU C C 71 173.650 173.650 175.750 -2.100 25630 1899 1 4 . 1 1 71 71 LEU CA C 71 59.180 59.180 59.508 -0.328 25630 1900 1 4 . 1 1 71 71 LEU CB C 71 39.573 39.573 39.980 -0.407 25630 1901 1 4 . 1 1 71 71 LEU H H 71 7.180 7.180 8.514 -1.334 25630 1902 1 4 . 1 1 72 72 PRO HA H 72 3.870 3.870 4.242 -0.372 25630 1903 1 4 . 1 1 72 72 PRO CA C 72 67.297 67.297 65.209 2.088 25630 1904 1 4 . 1 1 72 72 PRO CB C 72 30.585 30.585 30.900 -0.315 25630 1905 1 4 . 1 1 73 73 ALA N N 73 119.120 119.120 119.124 -0.004 25630 1906 1 4 . 1 1 73 73 ALA HA H 73 4.108 4.108 4.104 0.004 25630 1907 1 4 . 1 1 73 73 ALA C C 73 181.784 181.784 178.988 2.796 25630 1908 1 4 . 1 1 73 73 ALA CA C 73 54.924 54.924 54.338 0.586 25630 1909 1 4 . 1 1 73 73 ALA CB C 73 17.718 17.718 18.332 -0.614 25630 1910 1 4 . 1 1 73 73 ALA H H 73 7.959 7.959 7.787 0.172 25630 1911 1 4 . 1 1 74 74 LYS N N 74 119.785 119.785 117.380 2.405 25630 1912 1 4 . 1 1 74 74 LYS HA H 74 4.059 4.059 4.447 -0.388 25630 1913 1 4 . 1 1 74 74 LYS C C 74 178.488 178.488 178.657 -0.169 25630 1914 1 4 . 1 1 74 74 LYS CA C 74 58.725 58.725 57.374 1.351 25630 1915 1 4 . 1 1 74 74 LYS CB C 74 32.390 32.390 33.365 -0.975 25630 1916 1 4 . 1 1 74 74 LYS H H 74 8.259 8.259 7.541 0.718 25630 1917 1 4 . 1 1 75 75 CYS N N 75 114.446 114.446 116.062 -1.616 25630 1918 1 4 . 1 1 75 75 CYS HA H 75 4.759 4.759 4.142 0.617 25630 1919 1 4 . 1 1 75 75 CYS C C 75 174.445 174.445 176.101 -1.656 25630 1920 1 4 . 1 1 75 75 CYS CA C 75 52.907 52.907 61.536 -8.629 25630 1921 1 4 . 1 1 75 75 CYS CB C 75 35.891 35.891 26.887 9.004 25630 1922 1 4 . 1 1 75 75 CYS H H 75 7.807 7.807 8.572 -0.765 25630 1923 1 4 . 1 1 76 76 GLY N N 76 110.871 110.871 102.838 8.033 25630 1924 1 4 . 1 1 76 76 GLY C C 76 173.789 173.789 175.011 -1.222 25630 1925 1 4 . 1 1 76 76 GLY CA C 76 46.203 46.203 44.985 1.218 25630 1926 1 4 . 1 1 76 76 GLY H H 76 7.987 7.987 7.491 0.496 25630 1927 1 4 . 1 1 77 77 VAL N N 77 119.259 119.259 123.355 -4.096 25630 1928 1 4 . 1 1 77 77 VAL HA H 77 4.149 4.149 4.012 0.137 25630 1929 1 4 . 1 1 77 77 VAL C C 77 173.606 173.606 176.670 -3.064 25630 1930 1 4 . 1 1 77 77 VAL CA C 77 60.010 60.010 62.236 -2.226 25630 1931 1 4 . 1 1 77 77 VAL CB C 77 33.888 33.888 29.907 3.981 25630 1932 1 4 . 1 1 77 77 VAL H H 77 8.168 8.168 7.844 0.324 25630 1933 1 4 . 1 1 78 78 ASN N N 78 125.739 125.739 118.855 6.884 25630 1934 1 4 . 1 1 78 78 ASN HA H 78 4.687 4.687 4.452 0.235 25630 1935 1 4 . 1 1 78 78 ASN C C 78 173.972 173.972 175.753 -1.781 25630 1936 1 4 . 1 1 78 78 ASN CA C 78 51.804 51.804 55.597 -3.793 25630 1937 1 4 . 1 1 78 78 ASN CB C 78 37.522 37.522 37.463 0.059 25630 1938 1 4 . 1 1 78 78 ASN H H 78 8.595 8.595 7.911 0.684 25630 1939 1 4 . 1 1 79 79 ILE N N 79 123.269 123.269 120.818 2.451 25630 1940 1 4 . 1 1 79 79 ILE HA H 79 4.407 4.407 3.979 0.428 25630 1941 1 4 . 1 1 79 79 ILE C C 79 175.707 175.707 175.263 0.444 25630 1942 1 4 . 1 1 79 79 ILE CA C 79 57.263 57.263 61.755 -4.492 25630 1943 1 4 . 1 1 79 79 ILE CB C 79 38.692 38.692 37.911 0.781 25630 1944 1 4 . 1 1 79 79 ILE H H 79 7.490 7.490 8.091 -0.601 25630 1945 1 4 . 1 1 80 80 PRO HA H 80 4.545 4.545 4.371 0.174 25630 1946 1 4 . 1 1 80 80 PRO C C 80 173.928 173.928 175.448 -1.520 25630 1947 1 4 . 1 1 80 80 PRO CA C 80 63.769 63.769 63.415 0.354 25630 1948 1 4 . 1 1 80 80 PRO CB C 80 30.333 30.333 30.700 -0.367 25630 1949 1 4 . 1 1 81 81 TYR N N 81 115.596 115.596 121.872 -6.276 25630 1950 1 4 . 1 1 81 81 TYR HA H 81 4.756 4.756 4.601 0.155 25630 1951 1 4 . 1 1 81 81 TYR C C 81 172.554 172.554 174.798 -2.244 25630 1952 1 4 . 1 1 81 81 TYR CA C 81 54.217 54.217 57.721 -3.504 25630 1953 1 4 . 1 1 81 81 TYR CB C 81 39.435 39.435 40.736 -1.301 25630 1954 1 4 . 1 1 81 81 TYR H H 81 6.566 6.566 7.840 -1.274 25630 1955 1 4 . 1 1 82 82 LYS N N 82 118.572 118.572 122.744 -4.172 25630 1956 1 4 . 1 1 82 82 LYS HA H 82 4.407 4.407 4.356 0.051 25630 1957 1 4 . 1 1 82 82 LYS C C 82 176.795 176.795 176.883 -0.088 25630 1958 1 4 . 1 1 82 82 LYS CA C 82 54.523 54.523 55.859 -1.336 25630 1959 1 4 . 1 1 82 82 LYS CB C 82 33.584 33.584 33.600 -0.016 25630 1960 1 4 . 1 1 82 82 LYS H H 82 8.170 8.170 8.123 0.047 25630 1961 1 4 . 1 1 83 83 ILE N N 83 128.219 128.219 117.500 10.719 25630 1962 1 4 . 1 1 83 83 ILE HA H 83 4.059 4.059 4.372 -0.313 25630 1963 1 4 . 1 1 83 83 ILE CA C 83 61.386 61.386 59.620 1.766 25630 1964 1 4 . 1 1 83 83 ILE CB C 83 35.648 35.648 38.540 -2.892 25630 1965 1 4 . 1 1 83 83 ILE H H 83 9.374 9.374 8.313 1.061 25630 1966 1 4 . 1 1 84 84 SER N N 84 121.442 121.442 115.126 6.316 25630 1967 1 4 . 1 1 84 84 SER HA H 84 4.702 4.702 4.625 0.077 25630 1968 1 4 . 1 1 84 84 SER C C 84 176.398 176.398 172.324 4.074 25630 1969 1 4 . 1 1 84 84 SER CA C 84 54.826 54.826 56.835 -2.009 25630 1970 1 4 . 1 1 84 84 SER CB C 84 64.454 64.454 64.256 0.198 25630 1971 1 4 . 1 1 84 84 SER H H 84 6.689 6.689 8.212 -1.523 25630 1972 1 4 . 1 1 85 85 PRO HA H 85 4.563 4.563 4.710 -0.147 25630 1973 1 4 . 1 1 85 85 PRO CA C 85 63.711 63.711 63.907 -0.196 25630 1974 1 4 . 1 1 85 85 PRO CB C 85 31.930 31.930 32.046 -0.116 25630 1975 1 4 . 1 1 86 86 SER N N 86 109.474 109.474 115.067 -5.593 25630 1976 1 4 . 1 1 86 86 SER HA H 86 4.638 4.638 4.704 -0.066 25630 1977 1 4 . 1 1 86 86 SER CA C 86 56.757 56.757 57.524 -0.767 25630 1978 1 4 . 1 1 86 86 SER CB C 86 63.491 63.491 63.890 -0.399 25630 1979 1 4 . 1 1 86 86 SER H H 86 7.947 7.947 8.091 -0.144 25630 1980 1 4 . 1 1 87 87 THR HA H 87 3.809 3.809 4.533 -0.724 25630 1981 1 4 . 1 1 87 87 THR C C 87 171.688 171.688 173.774 -2.086 25630 1982 1 4 . 1 1 87 87 THR CA C 87 63.765 63.765 61.236 2.529 25630 1983 1 4 . 1 1 87 87 THR CB C 87 69.896 69.896 70.688 -0.792 25630 1984 1 4 . 1 1 88 88 ASP N N 88 124.634 124.634 123.314 1.320 25630 1985 1 4 . 1 1 88 88 ASP HA H 88 4.789 4.789 4.884 -0.095 25630 1986 1 4 . 1 1 88 88 ASP CA C 88 51.746 51.746 53.112 -1.367 25630 1987 1 4 . 1 1 88 88 ASP CB C 88 38.906 38.906 41.808 -2.902 25630 1988 1 4 . 1 1 88 88 ASP H H 88 8.628 8.628 8.506 0.122 25630 1989 1 4 . 1 1 89 89 CYS N N 89 125.452 125.452 123.050 2.402 25630 1990 1 4 . 1 1 89 89 CYS HA H 89 4.425 4.425 4.375 0.050 25630 1991 1 4 . 1 1 89 89 CYS C C 89 175.346 175.346 175.101 0.245 25630 1992 1 4 . 1 1 89 89 CYS CA C 89 54.899 54.899 58.225 -3.326 25630 1993 1 4 . 1 1 89 89 CYS CB C 89 36.960 36.960 25.867 11.093 25630 1994 1 4 . 1 1 89 89 CYS H H 89 8.647 8.647 8.862 -0.215 25630 1995 1 4 . 1 1 90 90 ASN N N 90 116.267 116.267 118.333 -2.066 25630 1996 1 4 . 1 1 90 90 ASN HA H 90 4.456 4.456 4.516 -0.060 25630 1997 1 4 . 1 1 90 90 ASN C C 90 175.437 175.437 176.550 -1.113 25630 1998 1 4 . 1 1 90 90 ASN CA C 90 54.691 54.691 55.027 -0.336 25630 1999 1 4 . 1 1 90 90 ASN CB C 90 37.607 37.607 38.982 -1.375 25630 2000 1 4 . 1 1 90 90 ASN H H 90 8.348 8.348 7.976 0.372 25630 2001 1 4 . 1 1 91 91 ARG N N 91 115.341 115.341 119.196 -3.855 25630 2002 1 4 . 1 1 91 91 ARG HA H 91 4.322 4.322 4.304 0.018 25630 2003 1 4 . 1 1 91 91 ARG C C 91 175.783 175.783 177.013 -1.230 25630 2004 1 4 . 1 1 91 91 ARG CA C 91 54.915 54.915 56.925 -2.010 25630 2005 1 4 . 1 1 91 91 ARG CB C 91 30.145 30.145 31.029 -0.884 25630 2006 1 4 . 1 1 91 91 ARG H H 91 7.133 7.133 7.459 -0.326 25630 2007 1 4 . 1 1 92 92 VAL N N 92 121.309 121.309 121.197 0.112 25630 2008 1 4 . 1 1 92 92 VAL HA H 92 3.949 3.949 3.643 0.306 25630 2009 1 4 . 1 1 92 92 VAL C C 92 174.084 174.084 176.123 -2.039 25630 2010 1 4 . 1 1 92 92 VAL CA C 92 62.875 62.875 63.197 -0.322 25630 2011 1 4 . 1 1 92 92 VAL CB C 92 32.316 32.316 30.789 1.527 25630 2012 1 4 . 1 1 92 92 VAL H H 92 6.990 6.990 7.975 -0.985 25630 2013 1 5 . 1 1 2 2 THR N N 2 113.980 113.980 114.665 -0.685 25630 2014 1 5 . 1 1 2 2 THR HA H 2 4.807 4.807 4.717 0.090 25630 2015 1 5 . 1 1 2 2 THR C C 2 175.361 175.361 176.105 -0.744 25630 2016 1 5 . 1 1 2 2 THR CA C 2 58.659 58.659 61.058 -2.399 25630 2017 1 5 . 1 1 2 2 THR CB C 2 71.525 71.525 70.713 0.812 25630 2018 1 5 . 1 1 2 2 THR H H 2 8.298 8.298 8.210 0.088 25630 2019 1 5 . 1 1 3 3 CYS N N 3 116.929 116.929 124.383 -7.454 25630 2020 1 5 . 1 1 3 3 CYS HA H 3 4.720 4.720 4.008 0.712 25630 2021 1 5 . 1 1 3 3 CYS CA C 3 54.110 54.110 62.715 -8.605 25630 2022 1 5 . 1 1 3 3 CYS CB C 3 31.416 31.416 26.762 4.654 25630 2023 1 5 . 1 1 3 3 CYS H H 3 9.330 9.330 9.177 0.153 25630 2024 1 5 . 1 1 4 4 GLY N N 4 110.525 110.525 107.684 2.841 25630 2025 1 5 . 1 1 4 4 GLY CA C 4 46.883 46.883 47.435 -0.552 25630 2026 1 5 . 1 1 4 4 GLY H H 4 8.739 8.739 8.670 0.069 25630 2027 1 5 . 1 1 5 5 GLN N N 5 121.402 121.402 121.104 0.298 25630 2028 1 5 . 1 1 5 5 GLN HA H 5 4.122 4.122 4.096 0.026 25630 2029 1 5 . 1 1 5 5 GLN C C 5 178.604 178.604 178.688 -0.084 25630 2030 1 5 . 1 1 5 5 GLN CA C 5 58.066 58.066 58.156 -0.090 25630 2031 1 5 . 1 1 5 5 GLN CB C 5 28.797 28.797 28.697 0.100 25630 2032 1 5 . 1 1 5 5 GLN H H 5 7.651 7.651 7.909 -0.258 25630 2033 1 5 . 1 1 6 6 VAL N N 6 120.864 120.864 120.494 0.370 25630 2034 1 5 . 1 1 6 6 VAL HA H 6 3.622 3.622 3.510 0.112 25630 2035 1 5 . 1 1 6 6 VAL C C 6 176.268 176.268 178.085 -1.817 25630 2036 1 5 . 1 1 6 6 VAL CA C 6 65.939 65.939 66.701 -0.762 25630 2037 1 5 . 1 1 6 6 VAL CB C 6 31.034 31.034 31.534 -0.500 25630 2038 1 5 . 1 1 6 6 VAL H H 6 7.566 7.566 7.839 -0.273 25630 2039 1 5 . 1 1 7 7 THR N N 7 113.871 113.871 114.703 -0.832 25630 2040 1 5 . 1 1 7 7 THR HA H 7 3.697 3.697 3.991 -0.294 25630 2041 1 5 . 1 1 7 7 THR CA C 7 65.959 65.959 66.646 -0.687 25630 2042 1 5 . 1 1 7 7 THR CB C 7 68.108 68.108 68.015 0.093 25630 2043 1 5 . 1 1 7 7 THR H H 7 8.835 8.835 8.186 0.649 25630 2044 1 5 . 1 1 8 8 GLY N N 8 108.517 108.517 108.319 0.198 25630 2045 1 5 . 1 1 8 8 GLY C C 8 175.828 175.828 175.184 0.644 25630 2046 1 5 . 1 1 8 8 GLY CA C 8 46.675 46.675 46.292 0.383 25630 2047 1 5 . 1 1 8 8 GLY H H 8 7.900 7.900 7.546 0.354 25630 2048 1 5 . 1 1 9 9 ALA N N 9 123.446 123.446 122.802 0.644 25630 2049 1 5 . 1 1 9 9 ALA HA H 9 4.160 4.160 4.172 -0.012 25630 2050 1 5 . 1 1 9 9 ALA C C 9 177.583 177.583 178.742 -1.159 25630 2051 1 5 . 1 1 9 9 ALA CA C 9 54.053 54.053 54.212 -0.159 25630 2052 1 5 . 1 1 9 9 ALA CB C 9 17.914 17.914 19.654 -1.740 25630 2053 1 5 . 1 1 9 9 ALA H H 9 7.483 7.483 7.899 -0.416 25630 2054 1 5 . 1 1 10 10 LEU N N 10 112.012 112.012 118.073 -6.061 25630 2055 1 5 . 1 1 10 10 LEU HA H 10 4.156 4.156 4.506 -0.350 25630 2056 1 5 . 1 1 10 10 LEU C C 10 177.573 177.573 177.602 -0.029 25630 2057 1 5 . 1 1 10 10 LEU CA C 10 53.384 53.384 54.647 -1.263 25630 2058 1 5 . 1 1 10 10 LEU CB C 10 42.102 42.102 41.043 1.059 25630 2059 1 5 . 1 1 10 10 LEU H H 10 7.279 7.279 7.737 -0.458 25630 2060 1 5 . 1 1 11 11 ALA N N 11 124.705 124.705 124.535 0.170 25630 2061 1 5 . 1 1 11 11 ALA HA H 11 4.251 4.251 4.192 0.059 25630 2062 1 5 . 1 1 11 11 ALA C C 11 176.754 176.754 176.771 -0.017 25630 2063 1 5 . 1 1 11 11 ALA CA C 11 56.645 56.645 56.448 0.197 25630 2064 1 5 . 1 1 11 11 ALA CB C 11 15.503 15.503 16.522 -1.019 25630 2065 1 5 . 1 1 11 11 ALA H H 11 7.517 7.517 7.892 -0.375 25630 2066 1 5 . 1 1 12 12 PRO HA H 12 4.663 4.663 4.512 0.151 25630 2067 1 5 . 1 1 12 12 PRO CA C 12 64.423 64.423 64.251 0.172 25630 2068 1 5 . 1 1 12 12 PRO CB C 12 31.214 31.214 30.887 0.327 25630 2069 1 5 . 1 1 13 13 CYS N N 13 114.976 114.976 117.411 -2.435 25630 2070 1 5 . 1 1 13 13 CYS HA H 13 4.618 4.618 4.517 0.101 25630 2071 1 5 . 1 1 13 13 CYS C C 13 174.583 174.583 176.456 -1.873 25630 2072 1 5 . 1 1 13 13 CYS CA C 13 53.992 53.992 61.007 -7.015 25630 2073 1 5 . 1 1 13 13 CYS CB C 13 42.898 42.898 27.579 15.319 25630 2074 1 5 . 1 1 13 13 CYS H H 13 8.801 8.801 7.479 1.322 25630 2075 1 5 . 1 1 14 14 LEU N N 14 121.119 121.119 121.254 -0.135 25630 2076 1 5 . 1 1 14 14 LEU HA H 14 3.817 3.817 3.882 -0.065 25630 2077 1 5 . 1 1 14 14 LEU C C 14 177.057 177.057 178.967 -1.910 25630 2078 1 5 . 1 1 14 14 LEU CA C 14 59.303 59.303 58.048 1.254 25630 2079 1 5 . 1 1 14 14 LEU CB C 14 40.871 40.871 41.317 -0.446 25630 2080 1 5 . 1 1 14 14 LEU H H 14 7.665 7.665 7.788 -0.123 25630 2081 1 5 . 1 1 15 15 GLY N N 15 105.845 105.845 107.388 -1.543 25630 2082 1 5 . 1 1 15 15 GLY C C 15 176.947 176.947 175.233 1.714 25630 2083 1 5 . 1 1 15 15 GLY CA C 15 46.859 46.859 47.075 -0.216 25630 2084 1 5 . 1 1 15 15 GLY H H 15 8.322 8.322 8.135 0.187 25630 2085 1 5 . 1 1 16 16 TYR N N 16 125.900 125.900 122.553 3.347 25630 2086 1 5 . 1 1 16 16 TYR HA H 16 4.004 4.004 4.281 -0.277 25630 2087 1 5 . 1 1 16 16 TYR C C 16 177.192 177.192 177.867 -0.675 25630 2088 1 5 . 1 1 16 16 TYR CA C 16 61.361 61.361 59.807 1.554 25630 2089 1 5 . 1 1 16 16 TYR CB C 16 37.906 37.906 38.496 -0.591 25630 2090 1 5 . 1 1 16 16 TYR H H 16 8.650 8.650 7.611 1.039 25630 2091 1 5 . 1 1 17 17 LEU N N 17 117.280 117.280 118.356 -1.076 25630 2092 1 5 . 1 1 17 17 LEU HA H 17 3.792 3.792 3.893 -0.101 25630 2093 1 5 . 1 1 17 17 LEU C C 17 175.010 175.010 178.606 -3.596 25630 2094 1 5 . 1 1 17 17 LEU CA C 17 56.221 56.221 57.522 -1.301 25630 2095 1 5 . 1 1 17 17 LEU CB C 17 41.476 41.476 41.566 -0.090 25630 2096 1 5 . 1 1 17 17 LEU H H 17 8.419 8.419 8.111 0.308 25630 2097 1 5 . 1 1 18 18 ARG N N 18 115.416 115.416 115.536 -0.120 25630 2098 1 5 . 1 1 18 18 ARG HA H 18 4.579 4.579 4.729 -0.150 25630 2099 1 5 . 1 1 18 18 ARG C C 18 175.874 175.874 175.852 0.022 25630 2100 1 5 . 1 1 18 18 ARG CA C 18 55.322 55.322 55.522 -0.200 25630 2101 1 5 . 1 1 18 18 ARG CB C 18 30.375 30.375 30.450 -0.075 25630 2102 1 5 . 1 1 18 18 ARG H H 18 7.212 7.212 7.608 -0.396 25630 2103 1 5 . 1 1 19 19 THR N N 19 117.095 117.095 118.628 -1.533 25630 2104 1 5 . 1 1 19 19 THR HA H 19 4.296 4.296 4.245 0.051 25630 2105 1 5 . 1 1 19 19 THR C C 19 173.038 173.038 173.672 -0.634 25630 2106 1 5 . 1 1 19 19 THR CA C 19 62.270 62.270 62.328 -0.058 25630 2107 1 5 . 1 1 19 19 THR CB C 19 69.436 69.436 68.840 0.596 25630 2108 1 5 . 1 1 19 19 THR H H 19 7.462 7.462 7.206 0.256 25630 2109 1 5 . 1 1 20 20 ALA N N 20 128.239 128.239 129.764 -1.525 25630 2110 1 5 . 1 1 20 20 ALA HA H 20 4.151 4.151 4.208 -0.057 25630 2111 1 5 . 1 1 20 20 ALA C C 20 177.148 177.148 177.750 -0.602 25630 2112 1 5 . 1 1 20 20 ALA CA C 20 52.378 52.378 53.204 -0.826 25630 2113 1 5 . 1 1 20 20 ALA CB C 20 18.697 18.697 18.891 -0.194 25630 2114 1 5 . 1 1 20 20 ALA H H 20 8.607 8.607 8.249 0.358 25630 2115 1 5 . 1 1 21 21 GLY N N 21 106.473 106.473 111.007 -4.534 25630 2116 1 5 . 1 1 21 21 GLY C C 21 173.046 173.046 173.352 -0.306 25630 2117 1 5 . 1 1 21 21 GLY CA C 21 44.516 44.516 44.229 0.287 25630 2118 1 5 . 1 1 21 21 GLY H H 21 8.207 8.207 8.104 0.103 25630 2119 1 5 . 1 1 22 22 SER N N 22 115.592 115.592 115.724 -0.132 25630 2120 1 5 . 1 1 22 22 SER HA H 22 4.684 4.684 4.511 0.173 25630 2121 1 5 . 1 1 22 22 SER CA C 22 56.763 56.763 59.108 -2.345 25630 2122 1 5 . 1 1 22 22 SER CB C 22 62.875 62.875 63.628 -0.753 25630 2123 1 5 . 1 1 22 22 SER H H 22 8.177 8.177 8.221 -0.044 25630 2124 1 5 . 1 1 23 23 VAL N N 23 120.568 120.568 119.665 0.903 25630 2125 1 5 . 1 1 23 23 VAL HA H 23 4.817 4.817 4.460 0.357 25630 2126 1 5 . 1 1 23 23 VAL CA C 23 58.256 58.256 59.426 -1.170 25630 2127 1 5 . 1 1 23 23 VAL CB C 23 32.614 32.614 33.473 -0.859 25630 2128 1 5 . 1 1 23 23 VAL H H 23 8.110 8.110 7.860 0.250 25630 2129 1 5 . 1 1 24 24 PRO HA H 24 4.400 4.400 4.524 -0.124 25630 2130 1 5 . 1 1 24 24 PRO CA C 24 62.104 62.104 62.762 -0.658 25630 2131 1 5 . 1 1 24 24 PRO CB C 24 31.625 31.625 32.231 -0.606 25630 2132 1 5 . 1 1 25 25 VAL N N 25 122.444 122.444 121.337 1.107 25630 2133 1 5 . 1 1 25 25 VAL HA H 25 3.666 3.666 3.368 0.298 25630 2134 1 5 . 1 1 25 25 VAL C C 25 174.735 174.735 174.719 0.016 25630 2135 1 5 . 1 1 25 25 VAL CA C 25 58.474 58.474 60.689 -2.215 25630 2136 1 5 . 1 1 25 25 VAL CB C 25 32.625 32.625 31.656 0.969 25630 2137 1 5 . 1 1 25 25 VAL H H 25 8.187 8.187 8.280 -0.093 25630 2138 1 5 . 1 1 26 26 PRO HA H 26 4.437 4.437 4.359 0.078 25630 2139 1 5 . 1 1 26 26 PRO CA C 26 62.431 62.431 62.355 0.076 25630 2140 1 5 . 1 1 26 26 PRO CB C 26 32.069 32.069 32.117 -0.048 25630 2141 1 5 . 1 1 27 27 LEU N N 27 128.747 128.747 126.262 2.485 25630 2142 1 5 . 1 1 27 27 LEU HA H 27 3.982 3.982 4.047 -0.065 25630 2143 1 5 . 1 1 27 27 LEU C C 27 178.619 178.619 178.621 -0.002 25630 2144 1 5 . 1 1 27 27 LEU CA C 27 58.471 58.471 58.666 -0.195 25630 2145 1 5 . 1 1 27 27 LEU CB C 27 41.085 41.085 40.127 0.958 25630 2146 1 5 . 1 1 27 27 LEU H H 27 8.871 8.871 8.672 0.199 25630 2147 1 5 . 1 1 28 28 THR N N 28 107.667 107.667 111.446 -3.779 25630 2148 1 5 . 1 1 28 28 THR HA H 28 3.962 3.962 3.998 -0.036 25630 2149 1 5 . 1 1 28 28 THR C C 28 177.771 177.771 176.728 1.043 25630 2150 1 5 . 1 1 28 28 THR CA C 28 64.160 64.160 65.641 -1.481 25630 2151 1 5 . 1 1 28 28 THR CB C 28 67.597 67.597 67.595 0.002 25630 2152 1 5 . 1 1 28 28 THR H H 28 8.219 8.219 8.325 -0.106 25630 2153 1 5 . 1 1 29 29 CYS N N 29 118.564 118.564 121.205 -2.641 25630 2154 1 5 . 1 1 29 29 CYS HA H 29 4.471 4.471 4.345 0.126 25630 2155 1 5 . 1 1 29 29 CYS C C 29 175.191 175.191 177.019 -1.828 25630 2156 1 5 . 1 1 29 29 CYS CA C 29 58.136 58.136 60.793 -2.657 25630 2157 1 5 . 1 1 29 29 CYS CB C 29 37.170 37.170 25.601 11.569 25630 2158 1 5 . 1 1 29 29 CYS H H 29 7.177 7.177 8.108 -0.931 25630 2159 1 5 . 1 1 30 30 CYS N N 30 117.371 117.371 120.732 -3.361 25630 2160 1 5 . 1 1 30 30 CYS HA H 30 4.656 4.656 4.035 0.621 25630 2161 1 5 . 1 1 30 30 CYS C C 30 177.101 177.101 177.351 -0.250 25630 2162 1 5 . 1 1 30 30 CYS CA C 30 54.440 54.440 63.789 -9.349 25630 2163 1 5 . 1 1 30 30 CYS CB C 30 31.989 31.989 25.761 6.228 25630 2164 1 5 . 1 1 30 30 CYS H H 30 7.522 7.522 8.150 -0.628 25630 2165 1 5 . 1 1 31 31 ASN N N 31 119.039 119.039 118.496 0.543 25630 2166 1 5 . 1 1 31 31 ASN HA H 31 4.468 4.468 4.375 0.093 25630 2167 1 5 . 1 1 31 31 ASN C C 31 178.119 178.119 177.654 0.465 25630 2168 1 5 . 1 1 31 31 ASN CA C 31 55.778 55.778 57.515 -1.737 25630 2169 1 5 . 1 1 31 31 ASN CB C 31 36.964 36.964 37.904 -0.940 25630 2170 1 5 . 1 1 31 31 ASN H H 31 8.703 8.703 8.164 0.539 25630 2171 1 5 . 1 1 32 32 GLY N N 32 111.440 111.440 107.968 3.472 25630 2172 1 5 . 1 1 32 32 GLY C C 32 175.147 175.147 175.977 -0.830 25630 2173 1 5 . 1 1 32 32 GLY CA C 32 47.058 47.058 46.693 0.365 25630 2174 1 5 . 1 1 32 32 GLY H H 32 7.744 7.744 7.680 0.064 25630 2175 1 5 . 1 1 33 33 VAL N N 33 122.106 122.106 122.746 -0.640 25630 2176 1 5 . 1 1 33 33 VAL HA H 33 3.470 3.470 3.526 -0.056 25630 2177 1 5 . 1 1 33 33 VAL C C 33 177.344 177.344 177.515 -0.171 25630 2178 1 5 . 1 1 33 33 VAL CA C 33 66.135 66.135 66.384 -0.249 25630 2179 1 5 . 1 1 33 33 VAL CB C 33 31.530 31.530 31.232 0.298 25630 2180 1 5 . 1 1 33 33 VAL H H 33 8.139 8.139 7.969 0.170 25630 2181 1 5 . 1 1 34 34 ARG N N 34 119.957 119.957 120.523 -0.566 25630 2182 1 5 . 1 1 34 34 ARG HA H 34 3.869 3.869 3.942 -0.073 25630 2183 1 5 . 1 1 34 34 ARG C C 34 178.641 178.641 178.704 -0.063 25630 2184 1 5 . 1 1 34 34 ARG CA C 34 59.563 59.563 59.892 -0.329 25630 2185 1 5 . 1 1 34 34 ARG CB C 34 29.978 29.978 29.939 0.038 25630 2186 1 5 . 1 1 34 34 ARG H H 34 8.452 8.452 8.689 -0.237 25630 2187 1 5 . 1 1 35 35 GLY N N 35 106.891 106.891 106.766 0.125 25630 2188 1 5 . 1 1 35 35 GLY C C 35 176.413 176.413 176.377 0.036 25630 2189 1 5 . 1 1 35 35 GLY CA C 35 46.653 46.653 46.738 -0.085 25630 2190 1 5 . 1 1 35 35 GLY H H 35 8.062 8.062 7.762 0.300 25630 2191 1 5 . 1 1 36 36 LEU N N 36 123.784 123.784 123.238 0.546 25630 2192 1 5 . 1 1 36 36 LEU HA H 36 4.077 4.077 3.876 0.201 25630 2193 1 5 . 1 1 36 36 LEU C C 36 177.848 177.848 178.223 -0.375 25630 2194 1 5 . 1 1 36 36 LEU CA C 36 57.160 57.160 57.844 -0.684 25630 2195 1 5 . 1 1 36 36 LEU CB C 36 41.162 41.162 41.780 -0.618 25630 2196 1 5 . 1 1 36 36 LEU H H 36 8.119 8.119 7.828 0.291 25630 2197 1 5 . 1 1 37 37 ASN N N 37 116.442 116.442 116.429 0.013 25630 2198 1 5 . 1 1 37 37 ASN HA H 37 4.507 4.507 4.312 0.195 25630 2199 1 5 . 1 1 37 37 ASN C C 37 176.799 176.799 176.882 -0.083 25630 2200 1 5 . 1 1 37 37 ASN CA C 37 55.501 55.501 56.173 -0.672 25630 2201 1 5 . 1 1 37 37 ASN CB C 37 38.980 38.980 38.426 0.554 25630 2202 1 5 . 1 1 37 37 ASN H H 37 7.847 7.847 8.003 -0.156 25630 2203 1 5 . 1 1 38 38 ASN N N 38 115.049 115.049 116.267 -1.218 25630 2204 1 5 . 1 1 38 38 ASN HA H 38 4.421 4.421 4.645 -0.224 25630 2205 1 5 . 1 1 38 38 ASN C C 38 175.620 175.620 176.347 -0.727 25630 2206 1 5 . 1 1 38 38 ASN CA C 38 54.393 54.393 54.510 -0.117 25630 2207 1 5 . 1 1 38 38 ASN CB C 38 38.079 38.079 38.767 -0.689 25630 2208 1 5 . 1 1 38 38 ASN H H 38 7.982 7.982 7.645 0.337 25630 2209 1 5 . 1 1 39 39 ALA N N 39 119.826 119.826 122.330 -2.504 25630 2210 1 5 . 1 1 39 39 ALA HA H 39 4.269 4.269 4.217 0.052 25630 2211 1 5 . 1 1 39 39 ALA C C 39 176.587 176.587 177.491 -0.904 25630 2212 1 5 . 1 1 39 39 ALA CA C 39 52.527 52.527 53.236 -0.709 25630 2213 1 5 . 1 1 39 39 ALA CB C 39 18.507 18.507 19.375 -0.868 25630 2214 1 5 . 1 1 39 39 ALA H H 39 7.624 7.624 7.880 -0.256 25630 2215 1 5 . 1 1 40 40 ALA N N 40 120.950 120.950 120.419 0.531 25630 2216 1 5 . 1 1 40 40 ALA HA H 40 4.642 4.642 4.402 0.240 25630 2217 1 5 . 1 1 40 40 ALA C C 40 174.615 174.615 176.329 -1.714 25630 2218 1 5 . 1 1 40 40 ALA CA C 40 50.169 50.169 51.544 -1.375 25630 2219 1 5 . 1 1 40 40 ALA CB C 40 17.604 17.604 19.186 -1.582 25630 2220 1 5 . 1 1 40 40 ALA H H 40 7.290 7.290 8.237 -0.947 25630 2221 1 5 . 1 1 41 41 ARG N N 41 122.802 122.802 124.196 -1.394 25630 2222 1 5 . 1 1 41 41 ARG HA H 41 4.478 4.478 4.491 -0.013 25630 2223 1 5 . 1 1 41 41 ARG C C 41 176.177 176.177 175.966 0.211 25630 2224 1 5 . 1 1 41 41 ARG CA C 41 56.365 56.365 55.977 0.388 25630 2225 1 5 . 1 1 41 41 ARG CB C 41 31.618 31.618 31.877 -0.259 25630 2226 1 5 . 1 1 41 41 ARG H H 41 9.046 9.046 8.558 0.488 25630 2227 1 5 . 1 1 42 42 THR N N 42 108.733 108.733 113.592 -4.859 25630 2228 1 5 . 1 1 42 42 THR HA H 42 4.740 4.740 4.482 0.258 25630 2229 1 5 . 1 1 42 42 THR C C 42 174.689 174.689 175.649 -0.960 25630 2230 1 5 . 1 1 42 42 THR CA C 42 58.871 58.871 61.481 -2.610 25630 2231 1 5 . 1 1 42 42 THR CB C 42 72.072 72.072 70.664 1.408 25630 2232 1 5 . 1 1 42 42 THR H H 42 7.739 7.739 7.947 -0.208 25630 2233 1 5 . 1 1 43 43 THR N N 43 119.812 119.812 121.005 -1.193 25630 2234 1 5 . 1 1 43 43 THR HA H 43 3.847 3.847 3.982 -0.135 25630 2235 1 5 . 1 1 43 43 THR C C 43 175.620 175.620 176.548 -0.928 25630 2236 1 5 . 1 1 43 43 THR CA C 43 67.260 67.260 66.534 0.726 25630 2237 1 5 . 1 1 43 43 THR CB C 43 68.592 68.592 68.750 -0.158 25630 2238 1 5 . 1 1 43 43 THR H H 43 8.836 8.836 8.671 0.165 25630 2239 1 5 . 1 1 44 44 ILE N N 44 118.906 118.906 122.117 -3.211 25630 2240 1 5 . 1 1 44 44 ILE HA H 44 3.757 3.757 3.661 0.096 25630 2241 1 5 . 1 1 44 44 ILE C C 44 178.108 178.108 177.724 0.384 25630 2242 1 5 . 1 1 44 44 ILE CA C 44 63.926 63.926 64.957 -1.032 25630 2243 1 5 . 1 1 44 44 ILE CB C 44 37.142 37.142 37.436 -0.294 25630 2244 1 5 . 1 1 44 44 ILE H H 44 8.101 8.101 7.800 0.301 25630 2245 1 5 . 1 1 45 45 ASP N N 45 122.298 122.298 120.098 2.200 25630 2246 1 5 . 1 1 45 45 ASP HA H 45 4.425 4.425 4.285 0.140 25630 2247 1 5 . 1 1 45 45 ASP C C 45 177.785 177.785 179.018 -1.233 25630 2248 1 5 . 1 1 45 45 ASP CA C 45 57.295 57.295 57.422 -0.128 25630 2249 1 5 . 1 1 45 45 ASP CB C 45 40.548 40.548 39.905 0.643 25630 2250 1 5 . 1 1 45 45 ASP H H 45 7.680 7.680 8.241 -0.561 25630 2251 1 5 . 1 1 46 46 ARG N N 46 120.337 120.337 118.428 1.909 25630 2252 1 5 . 1 1 46 46 ARG HA H 46 3.876 3.876 4.136 -0.260 25630 2253 1 5 . 1 1 46 46 ARG C C 46 177.807 177.807 178.959 -1.152 25630 2254 1 5 . 1 1 46 46 ARG CA C 46 60.277 60.277 58.566 1.711 25630 2255 1 5 . 1 1 46 46 ARG CB C 46 30.939 30.939 30.040 0.899 25630 2256 1 5 . 1 1 46 46 ARG H H 46 8.515 8.515 7.861 0.654 25630 2257 1 5 . 1 1 47 47 ARG N N 47 119.948 119.948 119.660 0.288 25630 2258 1 5 . 1 1 47 47 ARG HA H 47 3.665 3.665 4.144 -0.479 25630 2259 1 5 . 1 1 47 47 ARG C C 47 178.290 178.290 178.604 -0.314 25630 2260 1 5 . 1 1 47 47 ARG CA C 47 60.686 60.686 59.610 1.076 25630 2261 1 5 . 1 1 47 47 ARG CB C 47 29.376 29.376 29.999 -0.623 25630 2262 1 5 . 1 1 47 47 ARG H H 47 8.514 8.514 8.019 0.495 25630 2263 1 5 . 1 1 48 48 THR N N 48 117.694 117.694 117.208 0.486 25630 2264 1 5 . 1 1 48 48 THR HA H 48 3.942 3.942 3.896 0.046 25630 2265 1 5 . 1 1 48 48 THR C C 48 175.681 175.681 176.466 -0.785 25630 2266 1 5 . 1 1 48 48 THR CA C 48 66.372 66.372 66.962 -0.590 25630 2267 1 5 . 1 1 48 48 THR CB C 48 68.274 68.274 68.772 -0.498 25630 2268 1 5 . 1 1 48 48 THR H H 48 8.269 8.269 8.452 -0.183 25630 2269 1 5 . 1 1 49 49 ALA N N 49 124.040 124.040 122.496 1.544 25630 2270 1 5 . 1 1 49 49 ALA HA H 49 3.654 3.654 4.084 -0.430 25630 2271 1 5 . 1 1 49 49 ALA C C 49 177.390 177.390 178.889 -1.499 25630 2272 1 5 . 1 1 49 49 ALA CA C 49 55.805 55.805 55.040 0.765 25630 2273 1 5 . 1 1 49 49 ALA CB C 49 16.984 16.984 18.013 -1.029 25630 2274 1 5 . 1 1 49 49 ALA H H 49 8.550 8.550 7.827 0.723 25630 2275 1 5 . 1 1 50 50 CYS N N 50 116.329 116.329 119.230 -2.901 25630 2276 1 5 . 1 1 50 50 CYS HA H 50 3.545 3.545 4.041 -0.496 25630 2277 1 5 . 1 1 50 50 CYS C C 50 175.828 175.828 176.827 -0.999 25630 2278 1 5 . 1 1 50 50 CYS CA C 50 60.131 60.131 62.606 -2.475 25630 2279 1 5 . 1 1 50 50 CYS CB C 50 34.259 34.259 26.200 8.059 25630 2280 1 5 . 1 1 50 50 CYS H H 50 7.989 7.989 8.094 -0.105 25630 2281 1 5 . 1 1 51 51 ASN N N 51 120.444 120.444 118.492 1.952 25630 2282 1 5 . 1 1 51 51 ASN HA H 51 4.378 4.378 4.418 -0.040 25630 2283 1 5 . 1 1 51 51 ASN C C 51 178.199 178.199 177.996 0.203 25630 2284 1 5 . 1 1 51 51 ASN CA C 51 56.565 56.565 57.212 -0.647 25630 2285 1 5 . 1 1 51 51 ASN CB C 51 38.593 38.593 38.104 0.489 25630 2286 1 5 . 1 1 51 51 ASN H H 51 8.323 8.323 8.516 -0.193 25630 2287 1 5 . 1 1 52 52 CYS N N 52 119.488 119.488 119.698 -0.210 25630 2288 1 5 . 1 1 52 52 CYS HA H 52 4.373 4.373 4.162 0.211 25630 2289 1 5 . 1 1 52 52 CYS C C 52 177.254 177.254 176.185 1.069 25630 2290 1 5 . 1 1 52 52 CYS CA C 52 57.075 57.075 61.830 -4.755 25630 2291 1 5 . 1 1 52 52 CYS CB C 52 36.261 36.261 26.127 10.134 25630 2292 1 5 . 1 1 52 52 CYS H H 52 8.782 8.782 7.584 1.198 25630 2293 1 5 . 1 1 53 53 LEU N N 53 122.617 122.617 119.627 2.990 25630 2294 1 5 . 1 1 53 53 LEU HA H 53 3.901 3.901 4.037 -0.136 25630 2295 1 5 . 1 1 53 53 LEU C C 53 177.359 177.359 178.960 -1.601 25630 2296 1 5 . 1 1 53 53 LEU CA C 53 57.761 57.761 57.966 -0.205 25630 2297 1 5 . 1 1 53 53 LEU CB C 53 41.156 41.156 42.049 -0.893 25630 2298 1 5 . 1 1 53 53 LEU H H 53 8.549 8.549 8.220 0.329 25630 2299 1 5 . 1 1 54 54 LYS N N 54 122.313 122.313 118.823 3.490 25630 2300 1 5 . 1 1 54 54 LYS HA H 54 4.000 4.000 3.901 0.099 25630 2301 1 5 . 1 1 54 54 LYS C C 54 178.656 178.656 179.093 -0.437 25630 2302 1 5 . 1 1 54 54 LYS CA C 54 59.520 59.520 59.221 0.299 25630 2303 1 5 . 1 1 54 54 LYS CB C 54 33.175 33.175 31.415 1.760 25630 2304 1 5 . 1 1 54 54 LYS H H 54 8.409 8.409 8.531 -0.122 25630 2305 1 5 . 1 1 55 55 GLN N N 55 117.604 117.604 118.071 -0.467 25630 2306 1 5 . 1 1 55 55 GLN HA H 55 4.122 4.122 4.041 0.081 25630 2307 1 5 . 1 1 55 55 GLN C C 55 179.074 179.074 178.176 0.898 25630 2308 1 5 . 1 1 55 55 GLN CA C 55 58.354 58.354 59.296 -0.942 25630 2309 1 5 . 1 1 55 55 GLN CB C 55 27.875 27.875 28.033 -0.158 25630 2310 1 5 . 1 1 55 55 GLN H H 55 7.735 7.735 7.860 -0.125 25630 2311 1 5 . 1 1 56 56 THR N N 56 118.464 118.464 116.730 1.734 25630 2312 1 5 . 1 1 56 56 THR HA H 56 3.884 3.884 4.002 -0.118 25630 2313 1 5 . 1 1 56 56 THR C C 56 175.389 175.389 176.157 -0.768 25630 2314 1 5 . 1 1 56 56 THR CA C 56 66.829 66.829 65.773 1.056 25630 2315 1 5 . 1 1 56 56 THR CB C 56 68.401 68.401 68.648 -0.247 25630 2316 1 5 . 1 1 56 56 THR H H 56 8.091 8.091 7.605 0.486 25630 2317 1 5 . 1 1 57 57 ALA N N 57 121.609 121.609 123.859 -2.250 25630 2318 1 5 . 1 1 57 57 ALA HA H 57 3.852 3.852 3.952 -0.100 25630 2319 1 5 . 1 1 57 57 ALA C C 57 178.061 178.061 178.867 -0.806 25630 2320 1 5 . 1 1 57 57 ALA CA C 57 54.457 54.457 55.334 -0.877 25630 2321 1 5 . 1 1 57 57 ALA CB C 57 16.448 16.448 18.299 -1.851 25630 2322 1 5 . 1 1 57 57 ALA H H 57 8.619 8.619 8.317 0.302 25630 2323 1 5 . 1 1 58 58 ASN N N 58 113.169 113.169 115.640 -2.471 25630 2324 1 5 . 1 1 58 58 ASN HA H 58 4.446 4.446 4.514 -0.068 25630 2325 1 5 . 1 1 58 58 ASN C C 58 174.706 174.706 176.701 -1.995 25630 2326 1 5 . 1 1 58 58 ASN CA C 58 54.894 54.894 54.937 -0.042 25630 2327 1 5 . 1 1 58 58 ASN CB C 58 39.606 39.606 38.384 1.222 25630 2328 1 5 . 1 1 58 58 ASN H H 58 7.695 7.695 8.203 -0.508 25630 2329 1 5 . 1 1 59 59 ALA N N 59 119.952 119.952 121.030 -1.078 25630 2330 1 5 . 1 1 59 59 ALA HA H 59 4.382 4.382 4.325 0.057 25630 2331 1 5 . 1 1 59 59 ALA C C 59 176.966 176.966 178.316 -1.350 25630 2332 1 5 . 1 1 59 59 ALA CA C 59 52.142 52.142 52.580 -0.438 25630 2333 1 5 . 1 1 59 59 ALA CB C 59 19.235 19.235 19.735 -0.500 25630 2334 1 5 . 1 1 59 59 ALA H H 59 7.506 7.506 7.601 -0.095 25630 2335 1 5 . 1 1 60 60 ILE N N 60 120.027 120.027 120.762 -0.735 25630 2336 1 5 . 1 1 60 60 ILE HA H 60 4.067 4.067 3.880 0.187 25630 2337 1 5 . 1 1 60 60 ILE C C 60 175.009 175.009 176.658 -1.649 25630 2338 1 5 . 1 1 60 60 ILE CA C 60 60.557 60.557 62.201 -1.644 25630 2339 1 5 . 1 1 60 60 ILE CB C 60 37.427 37.427 37.697 -0.271 25630 2340 1 5 . 1 1 60 60 ILE H H 60 7.184 7.184 8.161 -0.977 25630 2341 1 5 . 1 1 61 61 ALA N N 61 130.970 130.970 130.804 0.166 25630 2342 1 5 . 1 1 61 61 ALA HA H 61 4.151 4.151 4.116 0.035 25630 2343 1 5 . 1 1 61 61 ALA C C 61 177.709 177.709 177.012 0.697 25630 2344 1 5 . 1 1 61 61 ALA CA C 61 53.789 53.789 54.047 -0.258 25630 2345 1 5 . 1 1 61 61 ALA CB C 61 18.322 18.322 18.853 -0.531 25630 2346 1 5 . 1 1 61 61 ALA H H 61 8.486 8.486 8.762 -0.276 25630 2347 1 5 . 1 1 62 62 ASP N N 62 114.991 114.991 116.809 -1.818 25630 2348 1 5 . 1 1 62 62 ASP HA H 62 4.479 4.479 4.718 -0.239 25630 2349 1 5 . 1 1 62 62 ASP C C 62 174.354 174.354 174.515 -0.161 25630 2350 1 5 . 1 1 62 62 ASP CA C 62 52.461 52.461 53.365 -0.904 25630 2351 1 5 . 1 1 62 62 ASP CB C 62 37.900 37.900 41.116 -3.216 25630 2352 1 5 . 1 1 62 62 ASP H H 62 8.543 8.543 7.873 0.670 25630 2353 1 5 . 1 1 63 63 LEU N N 63 118.657 118.657 121.621 -2.964 25630 2354 1 5 . 1 1 63 63 LEU HA H 63 3.766 3.766 4.440 -0.674 25630 2355 1 5 . 1 1 63 63 LEU C C 63 175.646 175.646 175.070 0.576 25630 2356 1 5 . 1 1 63 63 LEU CA C 63 55.561 55.561 54.790 0.771 25630 2357 1 5 . 1 1 63 63 LEU CB C 63 42.180 42.180 43.018 -0.838 25630 2358 1 5 . 1 1 63 63 LEU H H 63 7.012 7.012 7.367 -0.355 25630 2359 1 5 . 1 1 64 64 ASN N N 64 125.123 125.123 126.073 -0.950 25630 2360 1 5 . 1 1 64 64 ASN HA H 64 4.711 4.711 4.761 -0.050 25630 2361 1 5 . 1 1 64 64 ASN C C 64 175.086 175.086 175.899 -0.813 25630 2362 1 5 . 1 1 64 64 ASN CA C 64 51.664 51.664 52.028 -0.364 25630 2363 1 5 . 1 1 64 64 ASN CB C 64 37.101 37.101 38.284 -1.183 25630 2364 1 5 . 1 1 64 64 ASN H H 64 8.947 8.947 8.146 0.801 25630 2365 1 5 . 1 1 65 65 LEU N N 65 126.541 126.541 125.211 1.330 25630 2366 1 5 . 1 1 65 65 LEU HA H 65 3.915 3.915 3.793 0.122 25630 2367 1 5 . 1 1 65 65 LEU C C 65 179.923 179.923 178.307 1.616 25630 2368 1 5 . 1 1 65 65 LEU CA C 65 57.744 57.744 58.179 -0.435 25630 2369 1 5 . 1 1 65 65 LEU CB C 65 40.932 40.932 41.601 -0.669 25630 2370 1 5 . 1 1 65 65 LEU H H 65 8.515 8.515 8.082 0.433 25630 2371 1 5 . 1 1 66 66 ASN N N 66 119.258 119.258 117.575 1.683 25630 2372 1 5 . 1 1 66 66 ASN HA H 66 4.515 4.515 4.419 0.096 25630 2373 1 5 . 1 1 66 66 ASN C C 66 177.832 177.832 177.260 0.572 25630 2374 1 5 . 1 1 66 66 ASN CA C 66 55.848 55.848 56.777 -0.929 25630 2375 1 5 . 1 1 66 66 ASN CB C 66 37.670 37.670 37.990 -0.320 25630 2376 1 5 . 1 1 66 66 ASN H H 66 8.376 8.376 8.109 0.267 25630 2377 1 5 . 1 1 67 67 ALA N N 67 125.139 125.139 120.505 4.634 25630 2378 1 5 . 1 1 67 67 ALA HA H 67 4.144 4.144 4.303 -0.159 25630 2379 1 5 . 1 1 67 67 ALA C C 67 180.849 180.849 178.426 2.423 25630 2380 1 5 . 1 1 67 67 ALA CA C 67 53.639 53.639 53.895 -0.256 25630 2381 1 5 . 1 1 67 67 ALA CB C 67 17.340 17.340 18.279 -0.939 25630 2382 1 5 . 1 1 67 67 ALA H H 67 7.835 7.835 7.367 0.468 25630 2383 1 5 . 1 1 68 68 ALA N N 68 119.901 119.901 119.878 0.023 25630 2384 1 5 . 1 1 68 68 ALA HA H 68 3.959 3.959 4.264 -0.305 25630 2385 1 5 . 1 1 68 68 ALA C C 68 178.092 178.092 178.198 -0.106 25630 2386 1 5 . 1 1 68 68 ALA CA C 68 54.893 54.893 53.617 1.276 25630 2387 1 5 . 1 1 68 68 ALA CB C 68 17.324 17.324 18.898 -1.574 25630 2388 1 5 . 1 1 68 68 ALA H H 68 8.187 8.187 8.228 -0.041 25630 2389 1 5 . 1 1 69 69 ALA N N 69 118.169 118.169 120.544 -2.375 25630 2390 1 5 . 1 1 69 69 ALA HA H 69 4.233 4.233 4.821 -0.588 25630 2391 1 5 . 1 1 69 69 ALA C C 69 179.953 179.953 179.426 0.527 25630 2392 1 5 . 1 1 69 69 ALA CA C 69 54.247 54.247 53.932 0.315 25630 2393 1 5 . 1 1 69 69 ALA CB C 69 17.943 17.943 19.776 -1.833 25630 2394 1 5 . 1 1 69 69 ALA H H 69 7.987 7.987 7.876 0.111 25630 2395 1 5 . 1 1 70 70 GLY N N 70 102.097 102.097 106.568 -4.471 25630 2396 1 5 . 1 1 70 70 GLY C C 70 173.713 173.713 175.678 -1.965 25630 2397 1 5 . 1 1 70 70 GLY CA C 70 44.759 44.759 46.373 -1.614 25630 2398 1 5 . 1 1 70 70 GLY H H 70 7.736 7.736 7.707 0.029 25630 2399 1 5 . 1 1 71 71 LEU N N 71 121.365 121.365 123.469 -2.104 25630 2400 1 5 . 1 1 71 71 LEU HA H 71 4.384 4.384 4.180 0.204 25630 2401 1 5 . 1 1 71 71 LEU C C 71 173.650 173.650 175.824 -2.174 25630 2402 1 5 . 1 1 71 71 LEU CA C 71 59.180 59.180 59.530 -0.350 25630 2403 1 5 . 1 1 71 71 LEU CB C 71 39.573 39.573 40.010 -0.437 25630 2404 1 5 . 1 1 71 71 LEU H H 71 7.180 7.180 7.651 -0.471 25630 2405 1 5 . 1 1 72 72 PRO HA H 72 3.870 3.870 4.236 -0.366 25630 2406 1 5 . 1 1 72 72 PRO CA C 72 67.297 67.297 65.300 1.997 25630 2407 1 5 . 1 1 72 72 PRO CB C 72 30.585 30.585 30.856 -0.271 25630 2408 1 5 . 1 1 73 73 ALA N N 73 119.120 119.120 119.517 -0.397 25630 2409 1 5 . 1 1 73 73 ALA HA H 73 4.108 4.108 4.236 -0.128 25630 2410 1 5 . 1 1 73 73 ALA C C 73 181.784 181.784 179.110 2.674 25630 2411 1 5 . 1 1 73 73 ALA CA C 73 54.924 54.924 54.532 0.392 25630 2412 1 5 . 1 1 73 73 ALA CB C 73 17.718 17.718 18.384 -0.666 25630 2413 1 5 . 1 1 73 73 ALA H H 73 7.959 7.959 7.758 0.201 25630 2414 1 5 . 1 1 74 74 LYS N N 74 119.785 119.785 116.791 2.994 25630 2415 1 5 . 1 1 74 74 LYS HA H 74 4.059 4.059 4.378 -0.319 25630 2416 1 5 . 1 1 74 74 LYS C C 74 178.488 178.488 178.304 0.184 25630 2417 1 5 . 1 1 74 74 LYS CA C 74 58.725 58.725 57.414 1.311 25630 2418 1 5 . 1 1 74 74 LYS CB C 74 32.390 32.390 33.416 -1.026 25630 2419 1 5 . 1 1 74 74 LYS H H 74 8.259 8.259 7.580 0.679 25630 2420 1 5 . 1 1 75 75 CYS N N 75 114.446 114.446 116.742 -2.296 25630 2421 1 5 . 1 1 75 75 CYS HA H 75 4.759 4.759 4.070 0.689 25630 2422 1 5 . 1 1 75 75 CYS C C 75 174.445 174.445 176.111 -1.666 25630 2423 1 5 . 1 1 75 75 CYS CA C 75 52.907 52.907 62.418 -9.511 25630 2424 1 5 . 1 1 75 75 CYS CB C 75 35.891 35.891 26.852 9.039 25630 2425 1 5 . 1 1 75 75 CYS H H 75 7.807 7.807 8.566 -0.759 25630 2426 1 5 . 1 1 76 76 GLY N N 76 110.871 110.871 103.826 7.045 25630 2427 1 5 . 1 1 76 76 GLY C C 76 173.789 173.789 174.865 -1.076 25630 2428 1 5 . 1 1 76 76 GLY CA C 76 46.203 46.203 45.701 0.502 25630 2429 1 5 . 1 1 76 76 GLY H H 76 7.987 7.987 7.492 0.495 25630 2430 1 5 . 1 1 77 77 VAL N N 77 119.259 119.259 122.360 -3.101 25630 2431 1 5 . 1 1 77 77 VAL HA H 77 4.149 4.149 3.782 0.367 25630 2432 1 5 . 1 1 77 77 VAL C C 77 173.606 173.606 176.209 -2.603 25630 2433 1 5 . 1 1 77 77 VAL CA C 77 60.010 60.010 63.274 -3.264 25630 2434 1 5 . 1 1 77 77 VAL CB C 77 33.888 33.888 31.503 2.385 25630 2435 1 5 . 1 1 77 77 VAL H H 77 8.168 8.168 7.675 0.493 25630 2436 1 5 . 1 1 78 78 ASN N N 78 125.739 125.739 115.376 10.363 25630 2437 1 5 . 1 1 78 78 ASN HA H 78 4.687 4.687 4.542 0.145 25630 2438 1 5 . 1 1 78 78 ASN C C 78 173.972 173.972 174.094 -0.122 25630 2439 1 5 . 1 1 78 78 ASN CA C 78 51.804 51.804 54.597 -2.793 25630 2440 1 5 . 1 1 78 78 ASN CB C 78 37.522 37.522 36.333 1.189 25630 2441 1 5 . 1 1 78 78 ASN H H 78 8.595 8.595 8.418 0.177 25630 2442 1 5 . 1 1 79 79 ILE N N 79 123.269 123.269 119.706 3.563 25630 2443 1 5 . 1 1 79 79 ILE HA H 79 4.407 4.407 4.521 -0.114 25630 2444 1 5 . 1 1 79 79 ILE C C 79 175.707 175.707 174.331 1.376 25630 2445 1 5 . 1 1 79 79 ILE CA C 79 57.263 57.263 57.816 -0.553 25630 2446 1 5 . 1 1 79 79 ILE CB C 79 38.692 38.692 40.436 -1.744 25630 2447 1 5 . 1 1 79 79 ILE H H 79 7.490 7.490 7.362 0.128 25630 2448 1 5 . 1 1 80 80 PRO HA H 80 4.545 4.545 4.548 -0.003 25630 2449 1 5 . 1 1 80 80 PRO C C 80 173.928 173.928 175.563 -1.635 25630 2450 1 5 . 1 1 80 80 PRO CA C 80 63.769 63.769 62.862 0.907 25630 2451 1 5 . 1 1 80 80 PRO CB C 80 30.333 30.333 30.089 0.244 25630 2452 1 5 . 1 1 81 81 TYR N N 81 115.596 115.596 123.376 -7.780 25630 2453 1 5 . 1 1 81 81 TYR HA H 81 4.756 4.756 4.668 0.088 25630 2454 1 5 . 1 1 81 81 TYR C C 81 172.554 172.554 174.896 -2.342 25630 2455 1 5 . 1 1 81 81 TYR CA C 81 54.217 54.217 56.839 -2.622 25630 2456 1 5 . 1 1 81 81 TYR CB C 81 39.435 39.435 41.354 -1.919 25630 2457 1 5 . 1 1 81 81 TYR H H 81 6.566 6.566 8.614 -2.048 25630 2458 1 5 . 1 1 82 82 LYS N N 82 118.572 118.572 122.988 -4.416 25630 2459 1 5 . 1 1 82 82 LYS HA H 82 4.407 4.407 4.589 -0.182 25630 2460 1 5 . 1 1 82 82 LYS C C 82 176.795 176.795 174.964 1.831 25630 2461 1 5 . 1 1 82 82 LYS CA C 82 54.523 54.523 55.050 -0.527 25630 2462 1 5 . 1 1 82 82 LYS CB C 82 33.584 33.584 34.344 -0.760 25630 2463 1 5 . 1 1 82 82 LYS H H 82 8.170 8.170 8.299 -0.129 25630 2464 1 5 . 1 1 83 83 ILE N N 83 128.219 128.219 119.190 9.029 25630 2465 1 5 . 1 1 83 83 ILE HA H 83 4.059 4.059 4.303 -0.244 25630 2466 1 5 . 1 1 83 83 ILE CA C 83 61.386 61.386 59.953 1.433 25630 2467 1 5 . 1 1 83 83 ILE CB C 83 35.648 35.648 39.130 -3.482 25630 2468 1 5 . 1 1 83 83 ILE H H 83 9.374 9.374 8.273 1.101 25630 2469 1 5 . 1 1 84 84 SER N N 84 121.442 121.442 118.188 3.254 25630 2470 1 5 . 1 1 84 84 SER HA H 84 4.702 4.702 4.722 -0.020 25630 2471 1 5 . 1 1 84 84 SER C C 84 176.398 176.398 172.662 3.736 25630 2472 1 5 . 1 1 84 84 SER CA C 84 54.826 54.826 56.139 -1.313 25630 2473 1 5 . 1 1 84 84 SER CB C 84 64.454 64.454 65.173 -0.719 25630 2474 1 5 . 1 1 84 84 SER H H 84 6.689 6.689 8.571 -1.882 25630 2475 1 5 . 1 1 85 85 PRO HA H 85 4.563 4.563 4.725 -0.162 25630 2476 1 5 . 1 1 85 85 PRO CA C 85 63.711 63.711 64.206 -0.495 25630 2477 1 5 . 1 1 85 85 PRO CB C 85 31.930 31.930 32.034 -0.104 25630 2478 1 5 . 1 1 86 86 SER N N 86 109.474 109.474 111.099 -1.625 25630 2479 1 5 . 1 1 86 86 SER HA H 86 4.638 4.638 4.614 0.024 25630 2480 1 5 . 1 1 86 86 SER CA C 86 56.757 56.757 58.381 -1.624 25630 2481 1 5 . 1 1 86 86 SER CB C 86 63.491 63.491 65.208 -1.717 25630 2482 1 5 . 1 1 86 86 SER H H 86 7.947 7.947 7.923 0.024 25630 2483 1 5 . 1 1 87 87 THR HA H 87 3.809 3.809 4.417 -0.608 25630 2484 1 5 . 1 1 87 87 THR C C 87 171.688 171.688 172.646 -0.958 25630 2485 1 5 . 1 1 87 87 THR CA C 87 63.765 63.765 61.575 2.190 25630 2486 1 5 . 1 1 87 87 THR CB C 87 69.896 69.896 69.755 0.141 25630 2487 1 5 . 1 1 88 88 ASP N N 88 124.634 124.634 125.434 -0.800 25630 2488 1 5 . 1 1 88 88 ASP HA H 88 4.789 4.789 4.734 0.055 25630 2489 1 5 . 1 1 88 88 ASP CA C 88 51.746 51.746 53.768 -2.022 25630 2490 1 5 . 1 1 88 88 ASP CB C 88 38.906 38.906 41.693 -2.787 25630 2491 1 5 . 1 1 88 88 ASP H H 88 8.628 8.628 8.432 0.196 25630 2492 1 5 . 1 1 89 89 CYS N N 89 125.452 125.452 123.404 2.048 25630 2493 1 5 . 1 1 89 89 CYS HA H 89 4.425 4.425 4.283 0.142 25630 2494 1 5 . 1 1 89 89 CYS C C 89 175.346 175.346 175.724 -0.378 25630 2495 1 5 . 1 1 89 89 CYS CA C 89 54.899 54.899 58.889 -3.990 25630 2496 1 5 . 1 1 89 89 CYS CB C 89 36.960 36.960 26.000 10.960 25630 2497 1 5 . 1 1 89 89 CYS H H 89 8.647 8.647 8.842 -0.195 25630 2498 1 5 . 1 1 90 90 ASN N N 90 116.267 116.267 118.965 -2.698 25630 2499 1 5 . 1 1 90 90 ASN HA H 90 4.456 4.456 4.421 0.035 25630 2500 1 5 . 1 1 90 90 ASN C C 90 175.437 175.437 176.626 -1.189 25630 2501 1 5 . 1 1 90 90 ASN CA C 90 54.691 54.691 56.003 -1.312 25630 2502 1 5 . 1 1 90 90 ASN CB C 90 37.607 37.607 38.764 -1.157 25630 2503 1 5 . 1 1 90 90 ASN H H 90 8.348 8.348 8.677 -0.329 25630 2504 1 5 . 1 1 91 91 ARG N N 91 115.341 115.341 119.155 -3.814 25630 2505 1 5 . 1 1 91 91 ARG HA H 91 4.322 4.322 4.526 -0.204 25630 2506 1 5 . 1 1 91 91 ARG C C 91 175.783 175.783 175.592 0.191 25630 2507 1 5 . 1 1 91 91 ARG CA C 91 54.915 54.915 55.850 -0.935 25630 2508 1 5 . 1 1 91 91 ARG CB C 91 30.145 30.145 29.629 0.516 25630 2509 1 5 . 1 1 91 91 ARG H H 91 7.133 7.133 8.758 -1.625 25630 2510 1 5 . 1 1 92 92 VAL N N 92 121.309 121.309 119.604 1.705 25630 2511 1 5 . 1 1 92 92 VAL HA H 92 3.949 3.949 3.862 0.087 25630 2512 1 5 . 1 1 92 92 VAL C C 92 174.084 174.084 175.326 -1.242 25630 2513 1 5 . 1 1 92 92 VAL CA C 92 62.875 62.875 62.817 0.058 25630 2514 1 5 . 1 1 92 92 VAL CB C 92 32.316 32.316 30.747 1.569 25630 2515 1 5 . 1 1 92 92 VAL H H 92 6.990 6.990 7.846 -0.856 25630 2516 1 6 . 1 1 2 2 THR N N 2 113.980 113.980 109.097 4.883 25630 2517 1 6 . 1 1 2 2 THR HA H 2 4.807 4.807 4.737 0.070 25630 2518 1 6 . 1 1 2 2 THR C C 2 175.361 175.361 176.085 -0.724 25630 2519 1 6 . 1 1 2 2 THR CA C 2 58.659 58.659 60.022 -1.363 25630 2520 1 6 . 1 1 2 2 THR CB C 2 71.525 71.525 71.132 0.393 25630 2521 1 6 . 1 1 2 2 THR H H 2 8.298 8.298 8.118 0.180 25630 2522 1 6 . 1 1 3 3 CYS N N 3 116.929 116.929 120.429 -3.500 25630 2523 1 6 . 1 1 3 3 CYS HA H 3 4.720 4.720 4.071 0.649 25630 2524 1 6 . 1 1 3 3 CYS CA C 3 54.110 54.110 63.148 -9.038 25630 2525 1 6 . 1 1 3 3 CYS CB C 3 31.416 31.416 26.419 4.997 25630 2526 1 6 . 1 1 3 3 CYS H H 3 9.330 9.330 8.575 0.755 25630 2527 1 6 . 1 1 4 4 GLY N N 4 110.525 110.525 107.069 3.456 25630 2528 1 6 . 1 1 4 4 GLY CA C 4 46.883 46.883 47.328 -0.445 25630 2529 1 6 . 1 1 4 4 GLY H H 4 8.739 8.739 8.530 0.209 25630 2530 1 6 . 1 1 5 5 GLN N N 5 121.402 121.402 121.064 0.338 25630 2531 1 6 . 1 1 5 5 GLN HA H 5 4.122 4.122 4.054 0.068 25630 2532 1 6 . 1 1 5 5 GLN C C 5 178.604 178.604 178.687 -0.083 25630 2533 1 6 . 1 1 5 5 GLN CA C 5 58.066 58.066 58.389 -0.323 25630 2534 1 6 . 1 1 5 5 GLN CB C 5 28.797 28.797 28.609 0.188 25630 2535 1 6 . 1 1 5 5 GLN H H 5 7.651 7.651 8.243 -0.592 25630 2536 1 6 . 1 1 6 6 VAL N N 6 120.864 120.864 120.023 0.841 25630 2537 1 6 . 1 1 6 6 VAL HA H 6 3.622 3.622 3.538 0.084 25630 2538 1 6 . 1 1 6 6 VAL C C 6 176.268 176.268 178.092 -1.824 25630 2539 1 6 . 1 1 6 6 VAL CA C 6 65.939 65.939 66.676 -0.737 25630 2540 1 6 . 1 1 6 6 VAL CB C 6 31.034 31.034 31.419 -0.386 25630 2541 1 6 . 1 1 6 6 VAL H H 6 7.566 7.566 8.456 -0.890 25630 2542 1 6 . 1 1 7 7 THR N N 7 113.871 113.871 114.529 -0.658 25630 2543 1 6 . 1 1 7 7 THR HA H 7 3.697 3.697 4.000 -0.303 25630 2544 1 6 . 1 1 7 7 THR CA C 7 65.959 65.959 66.513 -0.554 25630 2545 1 6 . 1 1 7 7 THR CB C 7 68.108 68.108 68.295 -0.187 25630 2546 1 6 . 1 1 7 7 THR H H 7 8.835 8.835 8.231 0.604 25630 2547 1 6 . 1 1 8 8 GLY N N 8 108.517 108.517 108.815 -0.298 25630 2548 1 6 . 1 1 8 8 GLY C C 8 175.828 175.828 175.129 0.699 25630 2549 1 6 . 1 1 8 8 GLY CA C 8 46.675 46.675 46.192 0.483 25630 2550 1 6 . 1 1 8 8 GLY H H 8 7.900 7.900 7.736 0.164 25630 2551 1 6 . 1 1 9 9 ALA N N 9 123.446 123.446 122.234 1.212 25630 2552 1 6 . 1 1 9 9 ALA HA H 9 4.160 4.160 4.212 -0.052 25630 2553 1 6 . 1 1 9 9 ALA C C 9 177.583 177.583 178.365 -0.782 25630 2554 1 6 . 1 1 9 9 ALA CA C 9 54.053 54.053 53.917 0.136 25630 2555 1 6 . 1 1 9 9 ALA CB C 9 17.914 17.914 19.688 -1.774 25630 2556 1 6 . 1 1 9 9 ALA H H 9 7.483 7.483 7.843 -0.360 25630 2557 1 6 . 1 1 10 10 LEU N N 10 112.012 112.012 118.015 -6.003 25630 2558 1 6 . 1 1 10 10 LEU HA H 10 4.156 4.156 4.544 -0.388 25630 2559 1 6 . 1 1 10 10 LEU C C 10 177.573 177.573 177.535 0.038 25630 2560 1 6 . 1 1 10 10 LEU CA C 10 53.384 53.384 54.593 -1.208 25630 2561 1 6 . 1 1 10 10 LEU CB C 10 42.102 42.102 41.224 0.878 25630 2562 1 6 . 1 1 10 10 LEU H H 10 7.279 7.279 7.662 -0.383 25630 2563 1 6 . 1 1 11 11 ALA N N 11 124.705 124.705 124.570 0.135 25630 2564 1 6 . 1 1 11 11 ALA HA H 11 4.251 4.251 4.187 0.064 25630 2565 1 6 . 1 1 11 11 ALA C C 11 176.754 176.754 176.695 0.059 25630 2566 1 6 . 1 1 11 11 ALA CA C 11 56.645 56.645 56.498 0.147 25630 2567 1 6 . 1 1 11 11 ALA CB C 11 15.503 15.503 16.513 -1.010 25630 2568 1 6 . 1 1 11 11 ALA H H 11 7.517 7.517 7.857 -0.340 25630 2569 1 6 . 1 1 12 12 PRO HA H 12 4.663 4.663 4.475 0.188 25630 2570 1 6 . 1 1 12 12 PRO CA C 12 64.423 64.423 63.862 0.561 25630 2571 1 6 . 1 1 12 12 PRO CB C 12 31.214 31.214 31.059 0.155 25630 2572 1 6 . 1 1 13 13 CYS N N 13 114.976 114.976 116.433 -1.457 25630 2573 1 6 . 1 1 13 13 CYS HA H 13 4.618 4.618 4.429 0.189 25630 2574 1 6 . 1 1 13 13 CYS C C 13 174.583 174.583 176.556 -1.973 25630 2575 1 6 . 1 1 13 13 CYS CA C 13 53.992 53.992 60.071 -6.079 25630 2576 1 6 . 1 1 13 13 CYS CB C 13 42.898 42.898 28.237 14.661 25630 2577 1 6 . 1 1 13 13 CYS H H 13 8.801 8.801 7.486 1.315 25630 2578 1 6 . 1 1 14 14 LEU N N 14 121.119 121.119 121.424 -0.305 25630 2579 1 6 . 1 1 14 14 LEU HA H 14 3.817 3.817 3.875 -0.058 25630 2580 1 6 . 1 1 14 14 LEU C C 14 177.057 177.057 178.890 -1.833 25630 2581 1 6 . 1 1 14 14 LEU CA C 14 59.303 59.303 58.353 0.950 25630 2582 1 6 . 1 1 14 14 LEU CB C 14 40.871 40.871 41.065 -0.194 25630 2583 1 6 . 1 1 14 14 LEU H H 14 7.665 7.665 7.721 -0.056 25630 2584 1 6 . 1 1 15 15 GLY N N 15 105.845 105.845 105.748 0.097 25630 2585 1 6 . 1 1 15 15 GLY C C 15 176.947 176.947 175.948 0.999 25630 2586 1 6 . 1 1 15 15 GLY CA C 15 46.859 46.859 47.328 -0.469 25630 2587 1 6 . 1 1 15 15 GLY H H 15 8.322 8.322 8.464 -0.142 25630 2588 1 6 . 1 1 16 16 TYR N N 16 125.900 125.900 121.771 4.129 25630 2589 1 6 . 1 1 16 16 TYR HA H 16 4.004 4.004 4.391 -0.387 25630 2590 1 6 . 1 1 16 16 TYR C C 16 177.192 177.192 175.765 1.427 25630 2591 1 6 . 1 1 16 16 TYR CA C 16 61.361 61.361 60.402 0.959 25630 2592 1 6 . 1 1 16 16 TYR CB C 16 37.906 37.906 38.890 -0.984 25630 2593 1 6 . 1 1 16 16 TYR H H 16 8.650 8.650 7.715 0.935 25630 2594 1 6 . 1 1 17 17 LEU N N 17 117.280 117.280 116.253 1.027 25630 2595 1 6 . 1 1 17 17 LEU HA H 17 3.792 3.792 4.018 -0.226 25630 2596 1 6 . 1 1 17 17 LEU C C 17 175.010 175.010 179.119 -4.109 25630 2597 1 6 . 1 1 17 17 LEU CA C 17 56.221 56.221 57.071 -0.850 25630 2598 1 6 . 1 1 17 17 LEU CB C 17 41.476 41.476 41.632 -0.156 25630 2599 1 6 . 1 1 17 17 LEU H H 17 8.419 8.419 7.899 0.520 25630 2600 1 6 . 1 1 18 18 ARG N N 18 115.416 115.416 116.779 -1.363 25630 2601 1 6 . 1 1 18 18 ARG HA H 18 4.579 4.579 4.823 -0.244 25630 2602 1 6 . 1 1 18 18 ARG C C 18 175.874 175.874 177.095 -1.221 25630 2603 1 6 . 1 1 18 18 ARG CA C 18 55.322 55.322 56.319 -0.997 25630 2604 1 6 . 1 1 18 18 ARG CB C 18 30.375 30.375 30.509 -0.134 25630 2605 1 6 . 1 1 18 18 ARG H H 18 7.212 7.212 8.428 -1.216 25630 2606 1 6 . 1 1 19 19 THR N N 19 117.095 117.095 118.257 -1.162 25630 2607 1 6 . 1 1 19 19 THR HA H 19 4.296 4.296 4.124 0.172 25630 2608 1 6 . 1 1 19 19 THR C C 19 173.038 173.038 174.089 -1.051 25630 2609 1 6 . 1 1 19 19 THR CA C 19 62.270 62.270 63.787 -1.517 25630 2610 1 6 . 1 1 19 19 THR CB C 19 69.436 69.436 68.532 0.904 25630 2611 1 6 . 1 1 19 19 THR H H 19 7.462 7.462 7.530 -0.068 25630 2612 1 6 . 1 1 20 20 ALA N N 20 128.239 128.239 130.735 -2.496 25630 2613 1 6 . 1 1 20 20 ALA HA H 20 4.151 4.151 4.366 -0.215 25630 2614 1 6 . 1 1 20 20 ALA C C 20 177.148 177.148 177.192 -0.044 25630 2615 1 6 . 1 1 20 20 ALA CA C 20 52.378 52.378 52.472 -0.094 25630 2616 1 6 . 1 1 20 20 ALA CB C 20 18.697 18.697 19.992 -1.295 25630 2617 1 6 . 1 1 20 20 ALA H H 20 8.607 8.607 7.942 0.665 25630 2618 1 6 . 1 1 21 21 GLY N N 21 106.473 106.473 110.661 -4.188 25630 2619 1 6 . 1 1 21 21 GLY C C 21 173.046 173.046 173.513 -0.467 25630 2620 1 6 . 1 1 21 21 GLY CA C 21 44.516 44.516 44.471 0.045 25630 2621 1 6 . 1 1 21 21 GLY H H 21 8.207 8.207 8.141 0.066 25630 2622 1 6 . 1 1 22 22 SER N N 22 115.592 115.592 117.039 -1.447 25630 2623 1 6 . 1 1 22 22 SER HA H 22 4.684 4.684 4.701 -0.017 25630 2624 1 6 . 1 1 22 22 SER CA C 22 56.763 56.763 57.904 -1.141 25630 2625 1 6 . 1 1 22 22 SER CB C 22 62.875 62.875 62.730 0.145 25630 2626 1 6 . 1 1 22 22 SER H H 22 8.177 8.177 8.172 0.005 25630 2627 1 6 . 1 1 23 23 VAL N N 23 120.568 120.568 120.749 -0.181 25630 2628 1 6 . 1 1 23 23 VAL HA H 23 4.817 4.817 4.574 0.243 25630 2629 1 6 . 1 1 23 23 VAL CA C 23 58.256 58.256 59.332 -1.076 25630 2630 1 6 . 1 1 23 23 VAL CB C 23 32.614 32.614 33.025 -0.411 25630 2631 1 6 . 1 1 23 23 VAL H H 23 8.110 8.110 8.227 -0.117 25630 2632 1 6 . 1 1 24 24 PRO HA H 24 4.400 4.400 4.623 -0.223 25630 2633 1 6 . 1 1 24 24 PRO CA C 24 62.104 62.104 62.747 -0.643 25630 2634 1 6 . 1 1 24 24 PRO CB C 24 31.625 31.625 32.144 -0.519 25630 2635 1 6 . 1 1 25 25 VAL N N 25 122.444 122.444 122.135 0.309 25630 2636 1 6 . 1 1 25 25 VAL HA H 25 3.666 3.666 3.478 0.188 25630 2637 1 6 . 1 1 25 25 VAL C C 25 174.735 174.735 174.946 -0.211 25630 2638 1 6 . 1 1 25 25 VAL CA C 25 58.474 58.474 60.726 -2.252 25630 2639 1 6 . 1 1 25 25 VAL CB C 25 32.625 32.625 31.611 1.014 25630 2640 1 6 . 1 1 25 25 VAL H H 25 8.187 8.187 8.208 -0.021 25630 2641 1 6 . 1 1 26 26 PRO HA H 26 4.437 4.437 4.444 -0.007 25630 2642 1 6 . 1 1 26 26 PRO CA C 26 62.431 62.431 62.449 -0.018 25630 2643 1 6 . 1 1 26 26 PRO CB C 26 32.069 32.069 32.146 -0.077 25630 2644 1 6 . 1 1 27 27 LEU N N 27 128.747 128.747 126.758 1.989 25630 2645 1 6 . 1 1 27 27 LEU HA H 27 3.982 3.982 4.035 -0.053 25630 2646 1 6 . 1 1 27 27 LEU C C 27 178.619 178.619 178.708 -0.089 25630 2647 1 6 . 1 1 27 27 LEU CA C 27 58.471 58.471 58.824 -0.353 25630 2648 1 6 . 1 1 27 27 LEU CB C 27 41.085 41.085 40.415 0.670 25630 2649 1 6 . 1 1 27 27 LEU H H 27 8.871 8.871 8.645 0.226 25630 2650 1 6 . 1 1 28 28 THR N N 28 107.667 107.667 111.822 -4.155 25630 2651 1 6 . 1 1 28 28 THR HA H 28 3.962 3.962 3.967 -0.005 25630 2652 1 6 . 1 1 28 28 THR C C 28 177.771 177.771 176.432 1.339 25630 2653 1 6 . 1 1 28 28 THR CA C 28 64.160 64.160 65.432 -1.272 25630 2654 1 6 . 1 1 28 28 THR CB C 28 67.597 67.597 68.291 -0.694 25630 2655 1 6 . 1 1 28 28 THR H H 28 8.219 8.219 8.286 -0.067 25630 2656 1 6 . 1 1 29 29 CYS N N 29 118.564 118.564 120.563 -1.999 25630 2657 1 6 . 1 1 29 29 CYS HA H 29 4.471 4.471 4.281 0.190 25630 2658 1 6 . 1 1 29 29 CYS C C 29 175.191 175.191 176.722 -1.531 25630 2659 1 6 . 1 1 29 29 CYS CA C 29 58.136 58.136 60.653 -2.517 25630 2660 1 6 . 1 1 29 29 CYS CB C 29 37.170 37.170 25.573 11.597 25630 2661 1 6 . 1 1 29 29 CYS H H 29 7.177 7.177 7.939 -0.762 25630 2662 1 6 . 1 1 30 30 CYS N N 30 117.371 117.371 121.111 -3.740 25630 2663 1 6 . 1 1 30 30 CYS HA H 30 4.656 4.656 4.021 0.635 25630 2664 1 6 . 1 1 30 30 CYS C C 30 177.101 177.101 177.351 -0.250 25630 2665 1 6 . 1 1 30 30 CYS CA C 30 54.440 54.440 63.736 -9.296 25630 2666 1 6 . 1 1 30 30 CYS CB C 30 31.989 31.989 25.714 6.275 25630 2667 1 6 . 1 1 30 30 CYS H H 30 7.522 7.522 8.141 -0.619 25630 2668 1 6 . 1 1 31 31 ASN N N 31 119.039 119.039 118.478 0.561 25630 2669 1 6 . 1 1 31 31 ASN HA H 31 4.468 4.468 4.405 0.063 25630 2670 1 6 . 1 1 31 31 ASN C C 31 178.119 178.119 177.819 0.300 25630 2671 1 6 . 1 1 31 31 ASN CA C 31 55.778 55.778 56.738 -0.960 25630 2672 1 6 . 1 1 31 31 ASN CB C 31 36.964 36.964 37.739 -0.774 25630 2673 1 6 . 1 1 31 31 ASN H H 31 8.703 8.703 8.208 0.495 25630 2674 1 6 . 1 1 32 32 GLY N N 32 111.440 111.440 108.086 3.354 25630 2675 1 6 . 1 1 32 32 GLY C C 32 175.147 175.147 175.910 -0.763 25630 2676 1 6 . 1 1 32 32 GLY CA C 32 47.058 47.058 46.634 0.424 25630 2677 1 6 . 1 1 32 32 GLY H H 32 7.744 7.744 7.633 0.111 25630 2678 1 6 . 1 1 33 33 VAL N N 33 122.106 122.106 122.968 -0.862 25630 2679 1 6 . 1 1 33 33 VAL HA H 33 3.470 3.470 3.480 -0.010 25630 2680 1 6 . 1 1 33 33 VAL C C 33 177.344 177.344 177.500 -0.156 25630 2681 1 6 . 1 1 33 33 VAL CA C 33 66.135 66.135 66.407 -0.272 25630 2682 1 6 . 1 1 33 33 VAL CB C 33 31.530 31.530 31.626 -0.096 25630 2683 1 6 . 1 1 33 33 VAL H H 33 8.139 8.139 7.730 0.409 25630 2684 1 6 . 1 1 34 34 ARG N N 34 119.957 119.957 119.983 -0.026 25630 2685 1 6 . 1 1 34 34 ARG HA H 34 3.869 3.869 3.947 -0.078 25630 2686 1 6 . 1 1 34 34 ARG C C 34 178.641 178.641 178.623 0.018 25630 2687 1 6 . 1 1 34 34 ARG CA C 34 59.563 59.563 59.886 -0.323 25630 2688 1 6 . 1 1 34 34 ARG CB C 34 29.978 29.978 29.910 0.068 25630 2689 1 6 . 1 1 34 34 ARG H H 34 8.452 8.452 8.601 -0.149 25630 2690 1 6 . 1 1 35 35 GLY N N 35 106.891 106.891 106.632 0.259 25630 2691 1 6 . 1 1 35 35 GLY C C 35 176.413 176.413 176.384 0.029 25630 2692 1 6 . 1 1 35 35 GLY CA C 35 46.653 46.653 46.699 -0.046 25630 2693 1 6 . 1 1 35 35 GLY H H 35 8.062 8.062 7.771 0.291 25630 2694 1 6 . 1 1 36 36 LEU N N 36 123.784 123.784 123.159 0.625 25630 2695 1 6 . 1 1 36 36 LEU HA H 36 4.077 4.077 3.946 0.131 25630 2696 1 6 . 1 1 36 36 LEU C C 36 177.848 177.848 178.281 -0.433 25630 2697 1 6 . 1 1 36 36 LEU CA C 36 57.160 57.160 57.813 -0.653 25630 2698 1 6 . 1 1 36 36 LEU CB C 36 41.162 41.162 41.744 -0.582 25630 2699 1 6 . 1 1 36 36 LEU H H 36 8.119 8.119 7.809 0.310 25630 2700 1 6 . 1 1 37 37 ASN N N 37 116.442 116.442 117.631 -1.189 25630 2701 1 6 . 1 1 37 37 ASN HA H 37 4.507 4.507 4.348 0.159 25630 2702 1 6 . 1 1 37 37 ASN C C 37 176.799 176.799 177.371 -0.572 25630 2703 1 6 . 1 1 37 37 ASN CA C 37 55.501 55.501 56.519 -1.018 25630 2704 1 6 . 1 1 37 37 ASN CB C 37 38.980 38.980 38.561 0.419 25630 2705 1 6 . 1 1 37 37 ASN H H 37 7.847 7.847 8.113 -0.266 25630 2706 1 6 . 1 1 38 38 ASN N N 38 115.049 115.049 118.230 -3.181 25630 2707 1 6 . 1 1 38 38 ASN HA H 38 4.421 4.421 4.627 -0.206 25630 2708 1 6 . 1 1 38 38 ASN C C 38 175.620 175.620 176.354 -0.734 25630 2709 1 6 . 1 1 38 38 ASN CA C 38 54.393 54.393 55.910 -1.517 25630 2710 1 6 . 1 1 38 38 ASN CB C 38 38.079 38.079 38.808 -0.729 25630 2711 1 6 . 1 1 38 38 ASN H H 38 7.982 7.982 7.653 0.329 25630 2712 1 6 . 1 1 39 39 ALA N N 39 119.826 119.826 122.528 -2.702 25630 2713 1 6 . 1 1 39 39 ALA HA H 39 4.269 4.269 4.203 0.066 25630 2714 1 6 . 1 1 39 39 ALA C C 39 176.587 176.587 177.769 -1.182 25630 2715 1 6 . 1 1 39 39 ALA CA C 39 52.527 52.527 53.813 -1.286 25630 2716 1 6 . 1 1 39 39 ALA CB C 39 18.507 18.507 19.069 -0.562 25630 2717 1 6 . 1 1 39 39 ALA H H 39 7.624 7.624 7.929 -0.305 25630 2718 1 6 . 1 1 40 40 ALA N N 40 120.950 120.950 119.942 1.008 25630 2719 1 6 . 1 1 40 40 ALA HA H 40 4.642 4.642 4.207 0.435 25630 2720 1 6 . 1 1 40 40 ALA C C 40 174.615 174.615 176.068 -1.453 25630 2721 1 6 . 1 1 40 40 ALA CA C 40 50.169 50.169 51.890 -1.721 25630 2722 1 6 . 1 1 40 40 ALA CB C 40 17.604 17.604 19.325 -1.721 25630 2723 1 6 . 1 1 40 40 ALA H H 40 7.290 7.290 7.705 -0.415 25630 2724 1 6 . 1 1 41 41 ARG N N 41 122.802 122.802 122.042 0.760 25630 2725 1 6 . 1 1 41 41 ARG HA H 41 4.478 4.478 4.567 -0.089 25630 2726 1 6 . 1 1 41 41 ARG C C 41 176.177 176.177 174.817 1.360 25630 2727 1 6 . 1 1 41 41 ARG CA C 41 56.365 56.365 55.603 0.762 25630 2728 1 6 . 1 1 41 41 ARG CB C 41 31.618 31.618 31.520 0.098 25630 2729 1 6 . 1 1 41 41 ARG H H 41 9.046 9.046 8.381 0.665 25630 2730 1 6 . 1 1 42 42 THR N N 42 108.733 108.733 110.669 -1.936 25630 2731 1 6 . 1 1 42 42 THR HA H 42 4.740 4.740 4.555 0.185 25630 2732 1 6 . 1 1 42 42 THR C C 42 174.689 174.689 174.921 -0.232 25630 2733 1 6 . 1 1 42 42 THR CA C 42 58.871 58.871 60.348 -1.477 25630 2734 1 6 . 1 1 42 42 THR CB C 42 72.072 72.072 71.809 0.263 25630 2735 1 6 . 1 1 42 42 THR H H 42 7.739 7.739 7.276 0.463 25630 2736 1 6 . 1 1 43 43 THR N N 43 119.812 119.812 121.014 -1.202 25630 2737 1 6 . 1 1 43 43 THR HA H 43 3.847 3.847 3.923 -0.076 25630 2738 1 6 . 1 1 43 43 THR C C 43 175.620 175.620 176.332 -0.712 25630 2739 1 6 . 1 1 43 43 THR CA C 43 67.260 67.260 67.735 -0.475 25630 2740 1 6 . 1 1 43 43 THR CB C 43 68.592 68.592 68.700 -0.108 25630 2741 1 6 . 1 1 43 43 THR H H 43 8.836 8.836 8.778 0.058 25630 2742 1 6 . 1 1 44 44 ILE N N 44 118.906 118.906 120.897 -1.991 25630 2743 1 6 . 1 1 44 44 ILE HA H 44 3.757 3.757 3.686 0.071 25630 2744 1 6 . 1 1 44 44 ILE C C 44 178.108 178.108 177.503 0.605 25630 2745 1 6 . 1 1 44 44 ILE CA C 44 63.926 63.926 63.769 0.157 25630 2746 1 6 . 1 1 44 44 ILE CB C 44 37.142 37.142 37.226 -0.084 25630 2747 1 6 . 1 1 44 44 ILE H H 44 8.101 8.101 8.035 0.066 25630 2748 1 6 . 1 1 45 45 ASP N N 45 122.298 122.298 120.510 1.788 25630 2749 1 6 . 1 1 45 45 ASP HA H 45 4.425 4.425 4.318 0.107 25630 2750 1 6 . 1 1 45 45 ASP C C 45 177.785 177.785 178.929 -1.144 25630 2751 1 6 . 1 1 45 45 ASP CA C 45 57.295 57.295 57.581 -0.286 25630 2752 1 6 . 1 1 45 45 ASP CB C 45 40.548 40.548 40.068 0.480 25630 2753 1 6 . 1 1 45 45 ASP H H 45 7.680 7.680 8.210 -0.530 25630 2754 1 6 . 1 1 46 46 ARG N N 46 120.337 120.337 119.422 0.915 25630 2755 1 6 . 1 1 46 46 ARG HA H 46 3.876 3.876 4.077 -0.201 25630 2756 1 6 . 1 1 46 46 ARG C C 46 177.807 177.807 178.700 -0.893 25630 2757 1 6 . 1 1 46 46 ARG CA C 46 60.277 60.277 58.546 1.731 25630 2758 1 6 . 1 1 46 46 ARG CB C 46 30.939 30.939 29.545 1.394 25630 2759 1 6 . 1 1 46 46 ARG H H 46 8.515 8.515 7.915 0.600 25630 2760 1 6 . 1 1 47 47 ARG N N 47 119.948 119.948 118.220 1.728 25630 2761 1 6 . 1 1 47 47 ARG HA H 47 3.665 3.665 4.311 -0.646 25630 2762 1 6 . 1 1 47 47 ARG C C 47 178.290 178.290 179.005 -0.715 25630 2763 1 6 . 1 1 47 47 ARG CA C 47 60.686 60.686 58.905 1.781 25630 2764 1 6 . 1 1 47 47 ARG CB C 47 29.376 29.376 29.347 0.029 25630 2765 1 6 . 1 1 47 47 ARG H H 47 8.514 8.514 7.877 0.637 25630 2766 1 6 . 1 1 48 48 THR N N 48 117.694 117.694 118.098 -0.404 25630 2767 1 6 . 1 1 48 48 THR HA H 48 3.942 3.942 3.926 0.016 25630 2768 1 6 . 1 1 48 48 THR C C 48 175.681 175.681 176.415 -0.734 25630 2769 1 6 . 1 1 48 48 THR CA C 48 66.372 66.372 67.288 -0.916 25630 2770 1 6 . 1 1 48 48 THR CB C 48 68.274 68.274 68.441 -0.167 25630 2771 1 6 . 1 1 48 48 THR H H 48 8.269 8.269 8.242 0.027 25630 2772 1 6 . 1 1 49 49 ALA N N 49 124.040 124.040 123.856 0.184 25630 2773 1 6 . 1 1 49 49 ALA HA H 49 3.654 3.654 4.267 -0.613 25630 2774 1 6 . 1 1 49 49 ALA C C 49 177.390 177.390 179.297 -1.907 25630 2775 1 6 . 1 1 49 49 ALA CA C 49 55.805 55.805 54.965 0.840 25630 2776 1 6 . 1 1 49 49 ALA CB C 49 16.984 16.984 18.053 -1.069 25630 2777 1 6 . 1 1 49 49 ALA H H 49 8.550 8.550 8.015 0.535 25630 2778 1 6 . 1 1 50 50 CYS N N 50 116.329 116.329 117.021 -0.692 25630 2779 1 6 . 1 1 50 50 CYS HA H 50 3.545 3.545 4.139 -0.594 25630 2780 1 6 . 1 1 50 50 CYS C C 50 175.828 175.828 176.922 -1.094 25630 2781 1 6 . 1 1 50 50 CYS CA C 50 60.131 60.131 61.236 -1.105 25630 2782 1 6 . 1 1 50 50 CYS CB C 50 34.259 34.259 25.083 9.176 25630 2783 1 6 . 1 1 50 50 CYS H H 50 7.989 7.989 8.475 -0.486 25630 2784 1 6 . 1 1 51 51 ASN N N 51 120.444 120.444 119.483 0.961 25630 2785 1 6 . 1 1 51 51 ASN HA H 51 4.378 4.378 4.624 -0.246 25630 2786 1 6 . 1 1 51 51 ASN C C 51 178.199 178.199 177.247 0.952 25630 2787 1 6 . 1 1 51 51 ASN CA C 51 56.565 56.565 56.027 0.538 25630 2788 1 6 . 1 1 51 51 ASN CB C 51 38.593 38.593 37.678 0.915 25630 2789 1 6 . 1 1 51 51 ASN H H 51 8.323 8.323 8.236 0.087 25630 2790 1 6 . 1 1 52 52 CYS N N 52 119.488 119.488 118.293 1.195 25630 2791 1 6 . 1 1 52 52 CYS HA H 52 4.373 4.373 4.318 0.055 25630 2792 1 6 . 1 1 52 52 CYS C C 52 177.254 177.254 176.239 1.015 25630 2793 1 6 . 1 1 52 52 CYS CA C 52 57.075 57.075 61.419 -4.344 25630 2794 1 6 . 1 1 52 52 CYS CB C 52 36.261 36.261 25.765 10.496 25630 2795 1 6 . 1 1 52 52 CYS H H 52 8.782 8.782 7.636 1.146 25630 2796 1 6 . 1 1 53 53 LEU N N 53 122.617 122.617 119.206 3.411 25630 2797 1 6 . 1 1 53 53 LEU HA H 53 3.901 3.901 4.355 -0.454 25630 2798 1 6 . 1 1 53 53 LEU C C 53 177.359 177.359 178.255 -0.896 25630 2799 1 6 . 1 1 53 53 LEU CA C 53 57.761 57.761 56.660 1.101 25630 2800 1 6 . 1 1 53 53 LEU CB C 53 41.156 41.156 42.620 -1.464 25630 2801 1 6 . 1 1 53 53 LEU H H 53 8.549 8.549 7.665 0.884 25630 2802 1 6 . 1 1 54 54 LYS N N 54 122.313 122.313 119.929 2.384 25630 2803 1 6 . 1 1 54 54 LYS HA H 54 4.000 4.000 3.921 0.079 25630 2804 1 6 . 1 1 54 54 LYS C C 54 178.656 178.656 179.285 -0.629 25630 2805 1 6 . 1 1 54 54 LYS CA C 54 59.520 59.520 59.361 0.159 25630 2806 1 6 . 1 1 54 54 LYS CB C 54 33.175 33.175 31.742 1.433 25630 2807 1 6 . 1 1 54 54 LYS H H 54 8.409 8.409 8.325 0.084 25630 2808 1 6 . 1 1 55 55 GLN N N 55 117.604 117.604 116.952 0.652 25630 2809 1 6 . 1 1 55 55 GLN HA H 55 4.122 4.122 4.093 0.029 25630 2810 1 6 . 1 1 55 55 GLN C C 55 179.074 179.074 178.664 0.410 25630 2811 1 6 . 1 1 55 55 GLN CA C 55 58.354 58.354 59.222 -0.868 25630 2812 1 6 . 1 1 55 55 GLN CB C 55 27.875 27.875 28.379 -0.504 25630 2813 1 6 . 1 1 55 55 GLN H H 55 7.735 7.735 7.800 -0.065 25630 2814 1 6 . 1 1 56 56 THR N N 56 118.464 118.464 116.471 1.993 25630 2815 1 6 . 1 1 56 56 THR HA H 56 3.884 3.884 4.060 -0.176 25630 2816 1 6 . 1 1 56 56 THR C C 56 175.389 175.389 175.888 -0.499 25630 2817 1 6 . 1 1 56 56 THR CA C 56 66.829 66.829 66.235 0.594 25630 2818 1 6 . 1 1 56 56 THR CB C 56 68.401 68.401 68.668 -0.267 25630 2819 1 6 . 1 1 56 56 THR H H 56 8.091 8.091 7.269 0.822 25630 2820 1 6 . 1 1 57 57 ALA N N 57 121.609 121.609 123.649 -2.040 25630 2821 1 6 . 1 1 57 57 ALA HA H 57 3.852 3.852 3.947 -0.095 25630 2822 1 6 . 1 1 57 57 ALA C C 57 178.061 178.061 178.694 -0.633 25630 2823 1 6 . 1 1 57 57 ALA CA C 57 54.457 54.457 55.115 -0.658 25630 2824 1 6 . 1 1 57 57 ALA CB C 57 16.448 16.448 18.415 -1.967 25630 2825 1 6 . 1 1 57 57 ALA H H 57 8.619 8.619 8.014 0.605 25630 2826 1 6 . 1 1 58 58 ASN N N 58 113.169 113.169 115.473 -2.304 25630 2827 1 6 . 1 1 58 58 ASN HA H 58 4.446 4.446 4.459 -0.013 25630 2828 1 6 . 1 1 58 58 ASN C C 58 174.706 174.706 176.512 -1.806 25630 2829 1 6 . 1 1 58 58 ASN CA C 58 54.894 54.894 55.431 -0.537 25630 2830 1 6 . 1 1 58 58 ASN CB C 58 39.606 39.606 38.758 0.848 25630 2831 1 6 . 1 1 58 58 ASN H H 58 7.695 7.695 8.103 -0.408 25630 2832 1 6 . 1 1 59 59 ALA N N 59 119.952 119.952 121.680 -1.728 25630 2833 1 6 . 1 1 59 59 ALA HA H 59 4.382 4.382 4.240 0.142 25630 2834 1 6 . 1 1 59 59 ALA C C 59 176.966 176.966 178.087 -1.121 25630 2835 1 6 . 1 1 59 59 ALA CA C 59 52.142 52.142 52.940 -0.798 25630 2836 1 6 . 1 1 59 59 ALA CB C 59 19.235 19.235 19.298 -0.063 25630 2837 1 6 . 1 1 59 59 ALA H H 59 7.506 7.506 7.438 0.068 25630 2838 1 6 . 1 1 60 60 ILE N N 60 120.027 120.027 120.999 -0.972 25630 2839 1 6 . 1 1 60 60 ILE HA H 60 4.067 4.067 3.810 0.257 25630 2840 1 6 . 1 1 60 60 ILE C C 60 175.009 175.009 176.392 -1.383 25630 2841 1 6 . 1 1 60 60 ILE CA C 60 60.557 60.557 62.590 -2.033 25630 2842 1 6 . 1 1 60 60 ILE CB C 60 37.427 37.427 36.980 0.447 25630 2843 1 6 . 1 1 60 60 ILE H H 60 7.184 7.184 8.372 -1.188 25630 2844 1 6 . 1 1 61 61 ALA N N 61 130.970 130.970 130.082 0.888 25630 2845 1 6 . 1 1 61 61 ALA HA H 61 4.151 4.151 4.113 0.038 25630 2846 1 6 . 1 1 61 61 ALA C C 61 177.709 177.709 177.341 0.368 25630 2847 1 6 . 1 1 61 61 ALA CA C 61 53.789 53.789 54.032 -0.243 25630 2848 1 6 . 1 1 61 61 ALA CB C 61 18.322 18.322 18.752 -0.430 25630 2849 1 6 . 1 1 61 61 ALA H H 61 8.486 8.486 8.542 -0.056 25630 2850 1 6 . 1 1 62 62 ASP N N 62 114.991 114.991 117.376 -2.385 25630 2851 1 6 . 1 1 62 62 ASP HA H 62 4.479 4.479 4.752 -0.273 25630 2852 1 6 . 1 1 62 62 ASP C C 62 174.354 174.354 174.861 -0.507 25630 2853 1 6 . 1 1 62 62 ASP CA C 62 52.461 52.461 53.334 -0.873 25630 2854 1 6 . 1 1 62 62 ASP CB C 62 37.900 37.900 40.455 -2.554 25630 2855 1 6 . 1 1 62 62 ASP H H 62 8.543 8.543 8.105 0.438 25630 2856 1 6 . 1 1 63 63 LEU N N 63 118.657 118.657 122.396 -3.739 25630 2857 1 6 . 1 1 63 63 LEU HA H 63 3.766 3.766 4.418 -0.652 25630 2858 1 6 . 1 1 63 63 LEU C C 63 175.646 175.646 175.013 0.633 25630 2859 1 6 . 1 1 63 63 LEU CA C 63 55.561 55.561 54.695 0.866 25630 2860 1 6 . 1 1 63 63 LEU CB C 63 42.180 42.180 42.414 -0.234 25630 2861 1 6 . 1 1 63 63 LEU H H 63 7.012 7.012 7.546 -0.534 25630 2862 1 6 . 1 1 64 64 ASN N N 64 125.123 125.123 126.536 -1.413 25630 2863 1 6 . 1 1 64 64 ASN HA H 64 4.711 4.711 4.668 0.043 25630 2864 1 6 . 1 1 64 64 ASN C C 64 175.086 175.086 175.982 -0.896 25630 2865 1 6 . 1 1 64 64 ASN CA C 64 51.664 51.664 52.217 -0.553 25630 2866 1 6 . 1 1 64 64 ASN CB C 64 37.101 37.101 38.069 -0.968 25630 2867 1 6 . 1 1 64 64 ASN H H 64 8.947 8.947 8.480 0.467 25630 2868 1 6 . 1 1 65 65 LEU N N 65 126.541 126.541 124.639 1.902 25630 2869 1 6 . 1 1 65 65 LEU HA H 65 3.915 3.915 3.810 0.105 25630 2870 1 6 . 1 1 65 65 LEU C C 65 179.923 179.923 178.371 1.552 25630 2871 1 6 . 1 1 65 65 LEU CA C 65 57.744 57.744 57.677 0.067 25630 2872 1 6 . 1 1 65 65 LEU CB C 65 40.932 40.932 41.256 -0.324 25630 2873 1 6 . 1 1 65 65 LEU H H 65 8.515 8.515 8.238 0.277 25630 2874 1 6 . 1 1 66 66 ASN N N 66 119.258 119.258 117.574 1.684 25630 2875 1 6 . 1 1 66 66 ASN HA H 66 4.515 4.515 4.580 -0.065 25630 2876 1 6 . 1 1 66 66 ASN C C 66 177.832 177.832 177.314 0.518 25630 2877 1 6 . 1 1 66 66 ASN CA C 66 55.848 55.848 56.007 -0.159 25630 2878 1 6 . 1 1 66 66 ASN CB C 66 37.670 37.670 37.637 0.033 25630 2879 1 6 . 1 1 66 66 ASN H H 66 8.376 8.376 7.862 0.514 25630 2880 1 6 . 1 1 67 67 ALA N N 67 125.139 125.139 123.370 1.769 25630 2881 1 6 . 1 1 67 67 ALA HA H 67 4.144 4.144 4.232 -0.088 25630 2882 1 6 . 1 1 67 67 ALA C C 67 180.849 180.849 179.162 1.687 25630 2883 1 6 . 1 1 67 67 ALA CA C 67 53.639 53.639 54.759 -1.120 25630 2884 1 6 . 1 1 67 67 ALA CB C 67 17.340 17.340 17.995 -0.655 25630 2885 1 6 . 1 1 67 67 ALA H H 67 7.835 7.835 7.960 -0.125 25630 2886 1 6 . 1 1 68 68 ALA N N 68 119.901 119.901 119.715 0.186 25630 2887 1 6 . 1 1 68 68 ALA HA H 68 3.959 3.959 4.114 -0.155 25630 2888 1 6 . 1 1 68 68 ALA C C 68 178.092 178.092 178.235 -0.143 25630 2889 1 6 . 1 1 68 68 ALA CA C 68 54.893 54.893 54.486 0.407 25630 2890 1 6 . 1 1 68 68 ALA CB C 68 17.324 17.324 18.597 -1.273 25630 2891 1 6 . 1 1 68 68 ALA H H 68 8.187 8.187 8.505 -0.318 25630 2892 1 6 . 1 1 69 69 ALA N N 69 118.169 118.169 119.801 -1.632 25630 2893 1 6 . 1 1 69 69 ALA HA H 69 4.233 4.233 4.480 -0.247 25630 2894 1 6 . 1 1 69 69 ALA C C 69 179.953 179.953 179.681 0.272 25630 2895 1 6 . 1 1 69 69 ALA CA C 69 54.247 54.247 53.958 0.290 25630 2896 1 6 . 1 1 69 69 ALA CB C 69 17.943 17.943 19.609 -1.666 25630 2897 1 6 . 1 1 69 69 ALA H H 69 7.987 7.987 7.480 0.507 25630 2898 1 6 . 1 1 70 70 GLY N N 70 102.097 102.097 107.720 -5.623 25630 2899 1 6 . 1 1 70 70 GLY C C 70 173.713 173.713 175.792 -2.079 25630 2900 1 6 . 1 1 70 70 GLY CA C 70 44.759 44.759 46.328 -1.569 25630 2901 1 6 . 1 1 70 70 GLY H H 70 7.736 7.736 8.214 -0.478 25630 2902 1 6 . 1 1 71 71 LEU N N 71 121.365 121.365 123.427 -2.062 25630 2903 1 6 . 1 1 71 71 LEU HA H 71 4.384 4.384 4.096 0.288 25630 2904 1 6 . 1 1 71 71 LEU C C 71 173.650 173.650 175.747 -2.097 25630 2905 1 6 . 1 1 71 71 LEU CA C 71 59.180 59.180 59.708 -0.528 25630 2906 1 6 . 1 1 71 71 LEU CB C 71 39.573 39.573 39.962 -0.389 25630 2907 1 6 . 1 1 71 71 LEU H H 71 7.180 7.180 8.461 -1.281 25630 2908 1 6 . 1 1 72 72 PRO HA H 72 3.870 3.870 4.213 -0.343 25630 2909 1 6 . 1 1 72 72 PRO CA C 72 67.297 67.297 65.685 1.612 25630 2910 1 6 . 1 1 72 72 PRO CB C 72 30.585 30.585 30.747 -0.162 25630 2911 1 6 . 1 1 73 73 ALA N N 73 119.120 119.120 119.531 -0.411 25630 2912 1 6 . 1 1 73 73 ALA HA H 73 4.108 4.108 4.190 -0.082 25630 2913 1 6 . 1 1 73 73 ALA C C 73 181.784 181.784 178.947 2.837 25630 2914 1 6 . 1 1 73 73 ALA CA C 73 54.924 54.924 54.663 0.261 25630 2915 1 6 . 1 1 73 73 ALA CB C 73 17.718 17.718 18.287 -0.569 25630 2916 1 6 . 1 1 73 73 ALA H H 73 7.959 7.959 7.849 0.110 25630 2917 1 6 . 1 1 74 74 LYS N N 74 119.785 119.785 116.742 3.043 25630 2918 1 6 . 1 1 74 74 LYS HA H 74 4.059 4.059 4.364 -0.305 25630 2919 1 6 . 1 1 74 74 LYS C C 74 178.488 178.488 178.279 0.209 25630 2920 1 6 . 1 1 74 74 LYS CA C 74 58.725 58.725 57.429 1.296 25630 2921 1 6 . 1 1 74 74 LYS CB C 74 32.390 32.390 33.243 -0.853 25630 2922 1 6 . 1 1 74 74 LYS H H 74 8.259 8.259 7.501 0.758 25630 2923 1 6 . 1 1 75 75 CYS N N 75 114.446 114.446 115.696 -1.250 25630 2924 1 6 . 1 1 75 75 CYS HA H 75 4.759 4.759 4.132 0.627 25630 2925 1 6 . 1 1 75 75 CYS C C 75 174.445 174.445 176.240 -1.795 25630 2926 1 6 . 1 1 75 75 CYS CA C 75 52.907 52.907 61.475 -8.568 25630 2927 1 6 . 1 1 75 75 CYS CB C 75 35.891 35.891 26.587 9.304 25630 2928 1 6 . 1 1 75 75 CYS H H 75 7.807 7.807 8.523 -0.716 25630 2929 1 6 . 1 1 76 76 GLY N N 76 110.871 110.871 103.655 7.216 25630 2930 1 6 . 1 1 76 76 GLY C C 76 173.789 173.789 175.060 -1.271 25630 2931 1 6 . 1 1 76 76 GLY CA C 76 46.203 46.203 45.029 1.174 25630 2932 1 6 . 1 1 76 76 GLY H H 76 7.987 7.987 7.514 0.473 25630 2933 1 6 . 1 1 77 77 VAL N N 77 119.259 119.259 123.564 -4.305 25630 2934 1 6 . 1 1 77 77 VAL HA H 77 4.149 4.149 4.011 0.138 25630 2935 1 6 . 1 1 77 77 VAL C C 77 173.606 173.606 176.715 -3.109 25630 2936 1 6 . 1 1 77 77 VAL CA C 77 60.010 60.010 62.385 -2.375 25630 2937 1 6 . 1 1 77 77 VAL CB C 77 33.888 33.888 30.217 3.671 25630 2938 1 6 . 1 1 77 77 VAL H H 77 8.168 8.168 8.443 -0.275 25630 2939 1 6 . 1 1 78 78 ASN N N 78 125.739 125.739 119.457 6.282 25630 2940 1 6 . 1 1 78 78 ASN HA H 78 4.687 4.687 4.489 0.198 25630 2941 1 6 . 1 1 78 78 ASN C C 78 173.972 173.972 175.661 -1.689 25630 2942 1 6 . 1 1 78 78 ASN CA C 78 51.804 51.804 55.713 -3.909 25630 2943 1 6 . 1 1 78 78 ASN CB C 78 37.522 37.522 37.288 0.234 25630 2944 1 6 . 1 1 78 78 ASN H H 78 8.595 8.595 8.081 0.514 25630 2945 1 6 . 1 1 79 79 ILE N N 79 123.269 123.269 120.709 2.560 25630 2946 1 6 . 1 1 79 79 ILE HA H 79 4.407 4.407 3.973 0.434 25630 2947 1 6 . 1 1 79 79 ILE C C 79 175.707 175.707 175.246 0.461 25630 2948 1 6 . 1 1 79 79 ILE CA C 79 57.263 57.263 61.724 -4.460 25630 2949 1 6 . 1 1 79 79 ILE CB C 79 38.692 38.692 37.847 0.845 25630 2950 1 6 . 1 1 79 79 ILE H H 79 7.490 7.490 8.107 -0.617 25630 2951 1 6 . 1 1 80 80 PRO HA H 80 4.545 4.545 4.397 0.148 25630 2952 1 6 . 1 1 80 80 PRO C C 80 173.928 173.928 175.436 -1.508 25630 2953 1 6 . 1 1 80 80 PRO CA C 80 63.769 63.769 63.369 0.400 25630 2954 1 6 . 1 1 80 80 PRO CB C 80 30.333 30.333 30.590 -0.257 25630 2955 1 6 . 1 1 81 81 TYR N N 81 115.596 115.596 123.577 -7.981 25630 2956 1 6 . 1 1 81 81 TYR HA H 81 4.756 4.756 4.716 0.040 25630 2957 1 6 . 1 1 81 81 TYR C C 81 172.554 172.554 173.823 -1.269 25630 2958 1 6 . 1 1 81 81 TYR CA C 81 54.217 54.217 57.604 -3.387 25630 2959 1 6 . 1 1 81 81 TYR CB C 81 39.435 39.435 42.699 -3.264 25630 2960 1 6 . 1 1 81 81 TYR H H 81 6.566 6.566 7.826 -1.260 25630 2961 1 6 . 1 1 82 82 LYS N N 82 118.572 118.572 122.222 -3.650 25630 2962 1 6 . 1 1 82 82 LYS HA H 82 4.407 4.407 4.763 -0.356 25630 2963 1 6 . 1 1 82 82 LYS C C 82 176.795 176.795 176.051 0.744 25630 2964 1 6 . 1 1 82 82 LYS CA C 82 54.523 54.523 54.752 -0.229 25630 2965 1 6 . 1 1 82 82 LYS CB C 82 33.584 33.584 35.217 -1.633 25630 2966 1 6 . 1 1 82 82 LYS H H 82 8.170 8.170 8.476 -0.306 25630 2967 1 6 . 1 1 83 83 ILE N N 83 128.219 128.219 119.186 9.033 25630 2968 1 6 . 1 1 83 83 ILE HA H 83 4.059 4.059 4.451 -0.392 25630 2969 1 6 . 1 1 83 83 ILE CA C 83 61.386 61.386 59.744 1.642 25630 2970 1 6 . 1 1 83 83 ILE CB C 83 35.648 35.648 38.367 -2.719 25630 2971 1 6 . 1 1 83 83 ILE H H 83 9.374 9.374 8.430 0.944 25630 2972 1 6 . 1 1 84 84 SER N N 84 121.442 121.442 115.276 6.166 25630 2973 1 6 . 1 1 84 84 SER HA H 84 4.702 4.702 4.482 0.220 25630 2974 1 6 . 1 1 84 84 SER C C 84 176.398 176.398 172.670 3.728 25630 2975 1 6 . 1 1 84 84 SER CA C 84 54.826 54.826 57.336 -2.510 25630 2976 1 6 . 1 1 84 84 SER CB C 84 64.454 64.454 64.268 0.186 25630 2977 1 6 . 1 1 84 84 SER H H 84 6.689 6.689 8.012 -1.323 25630 2978 1 6 . 1 1 85 85 PRO HA H 85 4.563 4.563 4.885 -0.322 25630 2979 1 6 . 1 1 85 85 PRO CA C 85 63.711 63.711 63.675 0.036 25630 2980 1 6 . 1 1 85 85 PRO CB C 85 31.930 31.930 30.496 1.434 25630 2981 1 6 . 1 1 86 86 SER N N 86 109.474 109.474 113.816 -4.342 25630 2982 1 6 . 1 1 86 86 SER HA H 86 4.638 4.638 4.564 0.074 25630 2983 1 6 . 1 1 86 86 SER CA C 86 56.757 56.757 58.689 -1.932 25630 2984 1 6 . 1 1 86 86 SER CB C 86 63.491 63.491 65.198 -1.707 25630 2985 1 6 . 1 1 86 86 SER H H 86 7.947 7.947 8.224 -0.277 25630 2986 1 6 . 1 1 87 87 THR HA H 87 3.809 3.809 4.252 -0.443 25630 2987 1 6 . 1 1 87 87 THR C C 87 171.688 171.688 174.412 -2.724 25630 2988 1 6 . 1 1 87 87 THR CA C 87 63.765 63.765 63.623 0.142 25630 2989 1 6 . 1 1 87 87 THR CB C 87 69.896 69.896 69.754 0.142 25630 2990 1 6 . 1 1 88 88 ASP N N 88 124.634 124.634 127.793 -3.159 25630 2991 1 6 . 1 1 88 88 ASP HA H 88 4.789 4.789 4.609 0.180 25630 2992 1 6 . 1 1 88 88 ASP CA C 88 51.746 51.746 52.832 -1.086 25630 2993 1 6 . 1 1 88 88 ASP CB C 88 38.906 38.906 40.852 -1.946 25630 2994 1 6 . 1 1 88 88 ASP H H 88 8.628 8.628 8.365 0.263 25630 2995 1 6 . 1 1 89 89 CYS N N 89 125.452 125.452 115.848 9.604 25630 2996 1 6 . 1 1 89 89 CYS HA H 89 4.425 4.425 3.929 0.496 25630 2997 1 6 . 1 1 89 89 CYS C C 89 175.346 175.346 174.192 1.154 25630 2998 1 6 . 1 1 89 89 CYS CA C 89 54.899 54.899 59.357 -4.458 25630 2999 1 6 . 1 1 89 89 CYS CB C 89 36.960 36.960 25.220 11.740 25630 3000 1 6 . 1 1 89 89 CYS H H 89 8.647 8.647 7.493 1.154 25630 3001 1 6 . 1 1 90 90 ASN N N 90 116.267 116.267 116.427 -0.160 25630 3002 1 6 . 1 1 90 90 ASN HA H 90 4.456 4.456 4.509 -0.053 25630 3003 1 6 . 1 1 90 90 ASN C C 90 175.437 175.437 177.340 -1.903 25630 3004 1 6 . 1 1 90 90 ASN CA C 90 54.691 54.691 55.094 -0.403 25630 3005 1 6 . 1 1 90 90 ASN CB C 90 37.607 37.607 39.095 -1.488 25630 3006 1 6 . 1 1 90 90 ASN H H 90 8.348 8.348 8.532 -0.184 25630 3007 1 6 . 1 1 91 91 ARG N N 91 115.341 115.341 119.993 -4.652 25630 3008 1 6 . 1 1 91 91 ARG HA H 91 4.322 4.322 4.212 0.110 25630 3009 1 6 . 1 1 91 91 ARG C C 91 175.783 175.783 176.473 -0.690 25630 3010 1 6 . 1 1 91 91 ARG CA C 91 54.915 54.915 58.407 -3.493 25630 3011 1 6 . 1 1 91 91 ARG CB C 91 30.145 30.145 30.153 -0.008 25630 3012 1 6 . 1 1 91 91 ARG H H 91 7.133 7.133 8.348 -1.215 25630 3013 1 6 . 1 1 92 92 VAL N N 92 121.309 121.309 118.517 2.792 25630 3014 1 6 . 1 1 92 92 VAL HA H 92 3.949 3.949 4.122 -0.173 25630 3015 1 6 . 1 1 92 92 VAL C C 92 174.084 174.084 176.527 -2.443 25630 3016 1 6 . 1 1 92 92 VAL CA C 92 62.875 62.875 62.037 0.838 25630 3017 1 6 . 1 1 92 92 VAL CB C 92 32.316 32.316 29.868 2.448 25630 3018 1 6 . 1 1 92 92 VAL H H 92 6.990 6.990 7.549 -0.559 25630 3019 1 7 . 1 1 2 2 THR N N 2 113.980 113.980 115.169 -1.189 25630 3020 1 7 . 1 1 2 2 THR HA H 2 4.807 4.807 4.649 0.158 25630 3021 1 7 . 1 1 2 2 THR C C 2 175.361 175.361 176.165 -0.804 25630 3022 1 7 . 1 1 2 2 THR CA C 2 58.659 58.659 61.069 -2.410 25630 3023 1 7 . 1 1 2 2 THR CB C 2 71.525 71.525 70.011 1.514 25630 3024 1 7 . 1 1 2 2 THR H H 2 8.298 8.298 8.285 0.013 25630 3025 1 7 . 1 1 3 3 CYS N N 3 116.929 116.929 124.638 -7.709 25630 3026 1 7 . 1 1 3 3 CYS HA H 3 4.720 4.720 3.993 0.727 25630 3027 1 7 . 1 1 3 3 CYS CA C 3 54.110 54.110 62.698 -8.588 25630 3028 1 7 . 1 1 3 3 CYS CB C 3 31.416 31.416 26.690 4.726 25630 3029 1 7 . 1 1 3 3 CYS H H 3 9.330 9.330 9.104 0.226 25630 3030 1 7 . 1 1 4 4 GLY N N 4 110.525 110.525 107.824 2.701 25630 3031 1 7 . 1 1 4 4 GLY CA C 4 46.883 46.883 47.324 -0.441 25630 3032 1 7 . 1 1 4 4 GLY H H 4 8.739 8.739 8.677 0.062 25630 3033 1 7 . 1 1 5 5 GLN N N 5 121.402 121.402 121.370 0.032 25630 3034 1 7 . 1 1 5 5 GLN HA H 5 4.122 4.122 4.034 0.088 25630 3035 1 7 . 1 1 5 5 GLN C C 5 178.604 178.604 178.734 -0.130 25630 3036 1 7 . 1 1 5 5 GLN CA C 5 58.066 58.066 58.455 -0.389 25630 3037 1 7 . 1 1 5 5 GLN CB C 5 28.797 28.797 28.685 0.112 25630 3038 1 7 . 1 1 5 5 GLN H H 5 7.651 7.651 7.672 -0.021 25630 3039 1 7 . 1 1 6 6 VAL N N 6 120.864 120.864 119.984 0.880 25630 3040 1 7 . 1 1 6 6 VAL HA H 6 3.622 3.622 3.531 0.091 25630 3041 1 7 . 1 1 6 6 VAL C C 6 176.268 176.268 178.039 -1.771 25630 3042 1 7 . 1 1 6 6 VAL CA C 6 65.939 65.939 66.790 -0.851 25630 3043 1 7 . 1 1 6 6 VAL CB C 6 31.034 31.034 31.549 -0.515 25630 3044 1 7 . 1 1 6 6 VAL H H 6 7.566 7.566 7.802 -0.236 25630 3045 1 7 . 1 1 7 7 THR N N 7 113.871 113.871 114.839 -0.968 25630 3046 1 7 . 1 1 7 7 THR HA H 7 3.697 3.697 3.978 -0.281 25630 3047 1 7 . 1 1 7 7 THR CA C 7 65.959 65.959 66.620 -0.661 25630 3048 1 7 . 1 1 7 7 THR CB C 7 68.108 68.108 68.498 -0.390 25630 3049 1 7 . 1 1 7 7 THR H H 7 8.835 8.835 8.254 0.581 25630 3050 1 7 . 1 1 8 8 GLY N N 8 108.517 108.517 108.632 -0.115 25630 3051 1 7 . 1 1 8 8 GLY C C 8 175.828 175.828 174.856 0.972 25630 3052 1 7 . 1 1 8 8 GLY CA C 8 46.675 46.675 46.430 0.245 25630 3053 1 7 . 1 1 8 8 GLY H H 8 7.900 7.900 7.786 0.114 25630 3054 1 7 . 1 1 9 9 ALA N N 9 123.446 123.446 123.760 -0.314 25630 3055 1 7 . 1 1 9 9 ALA HA H 9 4.160 4.160 4.477 -0.317 25630 3056 1 7 . 1 1 9 9 ALA C C 9 177.583 177.583 179.165 -1.582 25630 3057 1 7 . 1 1 9 9 ALA CA C 9 54.053 54.053 53.433 0.620 25630 3058 1 7 . 1 1 9 9 ALA CB C 9 17.914 17.914 19.350 -1.436 25630 3059 1 7 . 1 1 9 9 ALA H H 9 7.483 7.483 7.810 -0.327 25630 3060 1 7 . 1 1 10 10 LEU N N 10 112.012 112.012 118.578 -6.566 25630 3061 1 7 . 1 1 10 10 LEU HA H 10 4.156 4.156 4.389 -0.233 25630 3062 1 7 . 1 1 10 10 LEU C C 10 177.573 177.573 177.738 -0.165 25630 3063 1 7 . 1 1 10 10 LEU CA C 10 53.384 53.384 54.949 -1.565 25630 3064 1 7 . 1 1 10 10 LEU CB C 10 42.102 42.102 40.643 1.459 25630 3065 1 7 . 1 1 10 10 LEU H H 10 7.279 7.279 7.924 -0.645 25630 3066 1 7 . 1 1 11 11 ALA N N 11 124.705 124.705 124.184 0.521 25630 3067 1 7 . 1 1 11 11 ALA HA H 11 4.251 4.251 4.200 0.051 25630 3068 1 7 . 1 1 11 11 ALA C C 11 176.754 176.754 176.685 0.069 25630 3069 1 7 . 1 1 11 11 ALA CA C 11 56.645 56.645 56.519 0.126 25630 3070 1 7 . 1 1 11 11 ALA CB C 11 15.503 15.503 16.585 -1.082 25630 3071 1 7 . 1 1 11 11 ALA H H 11 7.517 7.517 7.896 -0.379 25630 3072 1 7 . 1 1 12 12 PRO HA H 12 4.663 4.663 4.476 0.187 25630 3073 1 7 . 1 1 12 12 PRO CA C 12 64.423 64.423 63.921 0.502 25630 3074 1 7 . 1 1 12 12 PRO CB C 12 31.214 31.214 30.992 0.222 25630 3075 1 7 . 1 1 13 13 CYS N N 13 114.976 114.976 116.453 -1.477 25630 3076 1 7 . 1 1 13 13 CYS HA H 13 4.618 4.618 4.392 0.226 25630 3077 1 7 . 1 1 13 13 CYS C C 13 174.583 174.583 176.606 -2.023 25630 3078 1 7 . 1 1 13 13 CYS CA C 13 53.992 53.992 60.517 -6.525 25630 3079 1 7 . 1 1 13 13 CYS CB C 13 42.898 42.898 28.144 14.754 25630 3080 1 7 . 1 1 13 13 CYS H H 13 8.801 8.801 7.390 1.411 25630 3081 1 7 . 1 1 14 14 LEU N N 14 121.119 121.119 121.737 -0.618 25630 3082 1 7 . 1 1 14 14 LEU HA H 14 3.817 3.817 3.888 -0.071 25630 3083 1 7 . 1 1 14 14 LEU C C 14 177.057 177.057 178.764 -1.707 25630 3084 1 7 . 1 1 14 14 LEU CA C 14 59.303 59.303 58.133 1.170 25630 3085 1 7 . 1 1 14 14 LEU CB C 14 40.871 40.871 40.957 -0.086 25630 3086 1 7 . 1 1 14 14 LEU H H 14 7.665 7.665 7.698 -0.033 25630 3087 1 7 . 1 1 15 15 GLY N N 15 105.845 105.845 106.703 -0.858 25630 3088 1 7 . 1 1 15 15 GLY C C 15 176.947 176.947 175.874 1.073 25630 3089 1 7 . 1 1 15 15 GLY CA C 15 46.859 46.859 47.370 -0.511 25630 3090 1 7 . 1 1 15 15 GLY H H 15 8.322 8.322 8.429 -0.107 25630 3091 1 7 . 1 1 16 16 TYR N N 16 125.900 125.900 121.061 4.839 25630 3092 1 7 . 1 1 16 16 TYR HA H 16 4.004 4.004 4.418 -0.414 25630 3093 1 7 . 1 1 16 16 TYR C C 16 177.192 177.192 175.676 1.516 25630 3094 1 7 . 1 1 16 16 TYR CA C 16 61.361 61.361 59.662 1.699 25630 3095 1 7 . 1 1 16 16 TYR CB C 16 37.906 37.906 38.756 -0.850 25630 3096 1 7 . 1 1 16 16 TYR H H 16 8.650 8.650 7.685 0.965 25630 3097 1 7 . 1 1 17 17 LEU N N 17 117.280 117.280 117.067 0.213 25630 3098 1 7 . 1 1 17 17 LEU HA H 17 3.792 3.792 3.957 -0.165 25630 3099 1 7 . 1 1 17 17 LEU C C 17 175.010 175.010 178.794 -3.784 25630 3100 1 7 . 1 1 17 17 LEU CA C 17 56.221 56.221 57.097 -0.876 25630 3101 1 7 . 1 1 17 17 LEU CB C 17 41.476 41.476 41.884 -0.408 25630 3102 1 7 . 1 1 17 17 LEU H H 17 8.419 8.419 7.307 1.112 25630 3103 1 7 . 1 1 18 18 ARG N N 18 115.416 115.416 116.562 -1.146 25630 3104 1 7 . 1 1 18 18 ARG HA H 18 4.579 4.579 4.711 -0.132 25630 3105 1 7 . 1 1 18 18 ARG C C 18 175.874 175.874 176.782 -0.908 25630 3106 1 7 . 1 1 18 18 ARG CA C 18 55.322 55.322 56.271 -0.949 25630 3107 1 7 . 1 1 18 18 ARG CB C 18 30.375 30.375 30.724 -0.349 25630 3108 1 7 . 1 1 18 18 ARG H H 18 7.212 7.212 8.458 -1.246 25630 3109 1 7 . 1 1 19 19 THR N N 19 117.095 117.095 118.238 -1.143 25630 3110 1 7 . 1 1 19 19 THR HA H 19 4.296 4.296 4.128 0.168 25630 3111 1 7 . 1 1 19 19 THR C C 19 173.038 173.038 174.042 -1.004 25630 3112 1 7 . 1 1 19 19 THR CA C 19 62.270 62.270 63.819 -1.549 25630 3113 1 7 . 1 1 19 19 THR CB C 19 69.436 69.436 68.567 0.869 25630 3114 1 7 . 1 1 19 19 THR H H 19 7.462 7.462 7.425 0.037 25630 3115 1 7 . 1 1 20 20 ALA N N 20 128.239 128.239 130.505 -2.266 25630 3116 1 7 . 1 1 20 20 ALA HA H 20 4.151 4.151 4.428 -0.277 25630 3117 1 7 . 1 1 20 20 ALA C C 20 177.148 177.148 177.202 -0.054 25630 3118 1 7 . 1 1 20 20 ALA CA C 20 52.378 52.378 52.238 0.140 25630 3119 1 7 . 1 1 20 20 ALA CB C 20 18.697 18.697 20.095 -1.398 25630 3120 1 7 . 1 1 20 20 ALA H H 20 8.607 8.607 8.000 0.607 25630 3121 1 7 . 1 1 21 21 GLY N N 21 106.473 106.473 110.883 -4.410 25630 3122 1 7 . 1 1 21 21 GLY C C 21 173.046 173.046 173.687 -0.641 25630 3123 1 7 . 1 1 21 21 GLY CA C 21 44.516 44.516 44.582 -0.066 25630 3124 1 7 . 1 1 21 21 GLY H H 21 8.207 8.207 8.230 -0.023 25630 3125 1 7 . 1 1 22 22 SER N N 22 115.592 115.592 117.069 -1.477 25630 3126 1 7 . 1 1 22 22 SER HA H 22 4.684 4.684 4.715 -0.031 25630 3127 1 7 . 1 1 22 22 SER CA C 22 56.763 56.763 57.794 -1.031 25630 3128 1 7 . 1 1 22 22 SER CB C 22 62.875 62.875 62.891 -0.016 25630 3129 1 7 . 1 1 22 22 SER H H 22 8.177 8.177 8.199 -0.022 25630 3130 1 7 . 1 1 23 23 VAL N N 23 120.568 120.568 122.482 -1.914 25630 3131 1 7 . 1 1 23 23 VAL HA H 23 4.817 4.817 4.594 0.223 25630 3132 1 7 . 1 1 23 23 VAL CA C 23 58.256 58.256 59.275 -1.019 25630 3133 1 7 . 1 1 23 23 VAL CB C 23 32.614 32.614 33.330 -0.716 25630 3134 1 7 . 1 1 23 23 VAL H H 23 8.110 8.110 8.272 -0.162 25630 3135 1 7 . 1 1 24 24 PRO HA H 24 4.400 4.400 4.641 -0.241 25630 3136 1 7 . 1 1 24 24 PRO CA C 24 62.104 62.104 62.592 -0.488 25630 3137 1 7 . 1 1 24 24 PRO CB C 24 31.625 31.625 32.255 -0.630 25630 3138 1 7 . 1 1 25 25 VAL N N 25 122.444 122.444 121.942 0.502 25630 3139 1 7 . 1 1 25 25 VAL HA H 25 3.666 3.666 3.378 0.288 25630 3140 1 7 . 1 1 25 25 VAL C C 25 174.735 174.735 174.931 -0.196 25630 3141 1 7 . 1 1 25 25 VAL CA C 25 58.474 58.474 61.442 -2.968 25630 3142 1 7 . 1 1 25 25 VAL CB C 25 32.625 32.625 31.993 0.632 25630 3143 1 7 . 1 1 25 25 VAL H H 25 8.187 8.187 8.301 -0.114 25630 3144 1 7 . 1 1 26 26 PRO HA H 26 4.437 4.437 4.472 -0.035 25630 3145 1 7 . 1 1 26 26 PRO CA C 26 62.431 62.431 62.466 -0.035 25630 3146 1 7 . 1 1 26 26 PRO CB C 26 32.069 32.069 32.257 -0.188 25630 3147 1 7 . 1 1 27 27 LEU N N 27 128.747 128.747 127.718 1.029 25630 3148 1 7 . 1 1 27 27 LEU HA H 27 3.982 3.982 4.004 -0.022 25630 3149 1 7 . 1 1 27 27 LEU C C 27 178.619 178.619 178.317 0.302 25630 3150 1 7 . 1 1 27 27 LEU CA C 27 58.471 58.471 58.974 -0.503 25630 3151 1 7 . 1 1 27 27 LEU CB C 27 41.085 41.085 41.133 -0.048 25630 3152 1 7 . 1 1 27 27 LEU H H 27 8.871 8.871 8.664 0.207 25630 3153 1 7 . 1 1 28 28 THR N N 28 107.667 107.667 112.585 -4.918 25630 3154 1 7 . 1 1 28 28 THR HA H 28 3.962 3.962 3.915 0.047 25630 3155 1 7 . 1 1 28 28 THR C C 28 177.771 177.771 176.680 1.091 25630 3156 1 7 . 1 1 28 28 THR CA C 28 64.160 64.160 65.842 -1.682 25630 3157 1 7 . 1 1 28 28 THR CB C 28 67.597 67.597 67.338 0.259 25630 3158 1 7 . 1 1 28 28 THR H H 28 8.219 8.219 8.338 -0.119 25630 3159 1 7 . 1 1 29 29 CYS N N 29 118.564 118.564 121.606 -3.042 25630 3160 1 7 . 1 1 29 29 CYS HA H 29 4.471 4.471 4.187 0.284 25630 3161 1 7 . 1 1 29 29 CYS C C 29 175.191 175.191 177.270 -2.079 25630 3162 1 7 . 1 1 29 29 CYS CA C 29 58.136 58.136 61.337 -3.200 25630 3163 1 7 . 1 1 29 29 CYS CB C 29 37.170 37.170 25.620 11.550 25630 3164 1 7 . 1 1 29 29 CYS H H 29 7.177 7.177 8.270 -1.093 25630 3165 1 7 . 1 1 30 30 CYS N N 30 117.371 117.371 121.302 -3.931 25630 3166 1 7 . 1 1 30 30 CYS HA H 30 4.656 4.656 3.962 0.694 25630 3167 1 7 . 1 1 30 30 CYS C C 30 177.101 177.101 177.103 -0.002 25630 3168 1 7 . 1 1 30 30 CYS CA C 30 54.440 54.440 64.203 -9.763 25630 3169 1 7 . 1 1 30 30 CYS CB C 30 31.989 31.989 25.871 6.118 25630 3170 1 7 . 1 1 30 30 CYS H H 30 7.522 7.522 7.998 -0.476 25630 3171 1 7 . 1 1 31 31 ASN N N 31 119.039 119.039 118.231 0.808 25630 3172 1 7 . 1 1 31 31 ASN HA H 31 4.468 4.468 4.321 0.147 25630 3173 1 7 . 1 1 31 31 ASN C C 31 178.119 178.119 177.815 0.304 25630 3174 1 7 . 1 1 31 31 ASN CA C 31 55.778 55.778 57.119 -1.341 25630 3175 1 7 . 1 1 31 31 ASN CB C 31 36.964 36.964 37.742 -0.778 25630 3176 1 7 . 1 1 31 31 ASN H H 31 8.703 8.703 8.364 0.339 25630 3177 1 7 . 1 1 32 32 GLY N N 32 111.440 111.440 106.403 5.037 25630 3178 1 7 . 1 1 32 32 GLY C C 32 175.147 175.147 175.840 -0.693 25630 3179 1 7 . 1 1 32 32 GLY CA C 32 47.058 47.058 46.669 0.389 25630 3180 1 7 . 1 1 32 32 GLY H H 32 7.744 7.744 7.831 -0.087 25630 3181 1 7 . 1 1 33 33 VAL N N 33 122.106 122.106 123.102 -0.996 25630 3182 1 7 . 1 1 33 33 VAL HA H 33 3.470 3.470 3.619 -0.149 25630 3183 1 7 . 1 1 33 33 VAL C C 33 177.344 177.344 177.284 0.060 25630 3184 1 7 . 1 1 33 33 VAL CA C 33 66.135 66.135 66.001 0.134 25630 3185 1 7 . 1 1 33 33 VAL CB C 33 31.530 31.530 31.369 0.161 25630 3186 1 7 . 1 1 33 33 VAL H H 33 8.139 8.139 7.666 0.473 25630 3187 1 7 . 1 1 34 34 ARG N N 34 119.957 119.957 120.418 -0.461 25630 3188 1 7 . 1 1 34 34 ARG HA H 34 3.869 3.869 3.896 -0.027 25630 3189 1 7 . 1 1 34 34 ARG C C 34 178.641 178.641 178.932 -0.291 25630 3190 1 7 . 1 1 34 34 ARG CA C 34 59.563 59.563 59.810 -0.247 25630 3191 1 7 . 1 1 34 34 ARG CB C 34 29.978 29.978 29.855 0.123 25630 3192 1 7 . 1 1 34 34 ARG H H 34 8.452 8.452 8.701 -0.249 25630 3193 1 7 . 1 1 35 35 GLY N N 35 106.891 106.891 105.991 0.900 25630 3194 1 7 . 1 1 35 35 GLY C C 35 176.413 176.413 175.918 0.495 25630 3195 1 7 . 1 1 35 35 GLY CA C 35 46.653 46.653 46.459 0.194 25630 3196 1 7 . 1 1 35 35 GLY H H 35 8.062 8.062 7.805 0.257 25630 3197 1 7 . 1 1 36 36 LEU N N 36 123.784 123.784 123.438 0.346 25630 3198 1 7 . 1 1 36 36 LEU HA H 36 4.077 4.077 3.917 0.160 25630 3199 1 7 . 1 1 36 36 LEU C C 36 177.848 177.848 178.300 -0.452 25630 3200 1 7 . 1 1 36 36 LEU CA C 36 57.160 57.160 57.665 -0.505 25630 3201 1 7 . 1 1 36 36 LEU CB C 36 41.162 41.162 41.909 -0.747 25630 3202 1 7 . 1 1 36 36 LEU H H 36 8.119 8.119 7.250 0.869 25630 3203 1 7 . 1 1 37 37 ASN N N 37 116.442 116.442 116.235 0.207 25630 3204 1 7 . 1 1 37 37 ASN HA H 37 4.507 4.507 4.222 0.285 25630 3205 1 7 . 1 1 37 37 ASN C C 37 176.799 176.799 177.294 -0.495 25630 3206 1 7 . 1 1 37 37 ASN CA C 37 55.501 55.501 56.313 -0.812 25630 3207 1 7 . 1 1 37 37 ASN CB C 37 38.980 38.980 38.353 0.627 25630 3208 1 7 . 1 1 37 37 ASN H H 37 7.847 7.847 8.137 -0.290 25630 3209 1 7 . 1 1 38 38 ASN N N 38 115.049 115.049 116.985 -1.936 25630 3210 1 7 . 1 1 38 38 ASN HA H 38 4.421 4.421 4.646 -0.225 25630 3211 1 7 . 1 1 38 38 ASN C C 38 175.620 175.620 177.556 -1.936 25630 3212 1 7 . 1 1 38 38 ASN CA C 38 54.393 54.393 55.325 -0.932 25630 3213 1 7 . 1 1 38 38 ASN CB C 38 38.079 38.079 39.040 -0.961 25630 3214 1 7 . 1 1 38 38 ASN H H 38 7.982 7.982 7.455 0.527 25630 3215 1 7 . 1 1 39 39 ALA N N 39 119.826 119.826 122.426 -2.600 25630 3216 1 7 . 1 1 39 39 ALA HA H 39 4.269 4.269 4.285 -0.016 25630 3217 1 7 . 1 1 39 39 ALA C C 39 176.587 176.587 178.583 -1.996 25630 3218 1 7 . 1 1 39 39 ALA CA C 39 52.527 52.527 54.225 -1.698 25630 3219 1 7 . 1 1 39 39 ALA CB C 39 18.507 18.507 18.639 -0.132 25630 3220 1 7 . 1 1 39 39 ALA H H 39 7.624 7.624 7.973 -0.349 25630 3221 1 7 . 1 1 40 40 ALA N N 40 120.950 120.950 119.925 1.025 25630 3222 1 7 . 1 1 40 40 ALA HA H 40 4.642 4.642 4.441 0.201 25630 3223 1 7 . 1 1 40 40 ALA C C 40 174.615 174.615 177.861 -3.246 25630 3224 1 7 . 1 1 40 40 ALA CA C 40 50.169 50.169 51.115 -0.946 25630 3225 1 7 . 1 1 40 40 ALA CB C 40 17.604 17.604 18.374 -0.770 25630 3226 1 7 . 1 1 40 40 ALA H H 40 7.290 7.290 8.238 -0.948 25630 3227 1 7 . 1 1 41 41 ARG N N 41 122.802 122.802 117.599 5.203 25630 3228 1 7 . 1 1 41 41 ARG HA H 41 4.478 4.478 4.009 0.469 25630 3229 1 7 . 1 1 41 41 ARG C C 41 176.177 176.177 176.149 0.028 25630 3230 1 7 . 1 1 41 41 ARG CA C 41 56.365 56.365 58.194 -1.829 25630 3231 1 7 . 1 1 41 41 ARG CB C 41 31.618 31.618 29.350 2.268 25630 3232 1 7 . 1 1 41 41 ARG H H 41 9.046 9.046 7.502 1.544 25630 3233 1 7 . 1 1 42 42 THR N N 42 108.733 108.733 111.374 -2.641 25630 3234 1 7 . 1 1 42 42 THR HA H 42 4.740 4.740 4.446 0.294 25630 3235 1 7 . 1 1 42 42 THR C C 42 174.689 174.689 175.329 -0.640 25630 3236 1 7 . 1 1 42 42 THR CA C 42 58.871 58.871 61.336 -2.465 25630 3237 1 7 . 1 1 42 42 THR CB C 42 72.072 72.072 70.922 1.150 25630 3238 1 7 . 1 1 42 42 THR H H 42 7.739 7.739 7.770 -0.031 25630 3239 1 7 . 1 1 43 43 THR N N 43 119.812 119.812 120.922 -1.110 25630 3240 1 7 . 1 1 43 43 THR HA H 43 3.847 3.847 4.264 -0.417 25630 3241 1 7 . 1 1 43 43 THR C C 43 175.620 175.620 176.624 -1.004 25630 3242 1 7 . 1 1 43 43 THR CA C 43 67.260 67.260 67.061 0.199 25630 3243 1 7 . 1 1 43 43 THR CB C 43 68.592 68.592 68.812 -0.220 25630 3244 1 7 . 1 1 43 43 THR H H 43 8.836 8.836 8.620 0.216 25630 3245 1 7 . 1 1 44 44 ILE N N 44 118.906 118.906 121.489 -2.583 25630 3246 1 7 . 1 1 44 44 ILE HA H 44 3.757 3.757 3.746 0.011 25630 3247 1 7 . 1 1 44 44 ILE C C 44 178.108 178.108 177.600 0.508 25630 3248 1 7 . 1 1 44 44 ILE CA C 44 63.926 63.926 63.516 0.410 25630 3249 1 7 . 1 1 44 44 ILE CB C 44 37.142 37.142 37.437 -0.295 25630 3250 1 7 . 1 1 44 44 ILE H H 44 8.101 8.101 7.961 0.140 25630 3251 1 7 . 1 1 45 45 ASP N N 45 122.298 122.298 119.392 2.906 25630 3252 1 7 . 1 1 45 45 ASP HA H 45 4.425 4.425 4.435 -0.010 25630 3253 1 7 . 1 1 45 45 ASP C C 45 177.785 177.785 179.030 -1.245 25630 3254 1 7 . 1 1 45 45 ASP CA C 45 57.295 57.295 57.646 -0.351 25630 3255 1 7 . 1 1 45 45 ASP CB C 45 40.548 40.548 40.192 0.356 25630 3256 1 7 . 1 1 45 45 ASP H H 45 7.680 7.680 8.377 -0.697 25630 3257 1 7 . 1 1 46 46 ARG N N 46 120.337 120.337 118.954 1.383 25630 3258 1 7 . 1 1 46 46 ARG HA H 46 3.876 3.876 4.292 -0.416 25630 3259 1 7 . 1 1 46 46 ARG C C 46 177.807 177.807 178.605 -0.798 25630 3260 1 7 . 1 1 46 46 ARG CA C 46 60.277 60.277 58.503 1.774 25630 3261 1 7 . 1 1 46 46 ARG CB C 46 30.939 30.939 30.353 0.586 25630 3262 1 7 . 1 1 46 46 ARG H H 46 8.515 8.515 7.713 0.802 25630 3263 1 7 . 1 1 47 47 ARG N N 47 119.948 119.948 119.041 0.907 25630 3264 1 7 . 1 1 47 47 ARG HA H 47 3.665 3.665 4.303 -0.638 25630 3265 1 7 . 1 1 47 47 ARG C C 47 178.290 178.290 178.524 -0.234 25630 3266 1 7 . 1 1 47 47 ARG CA C 47 60.686 60.686 59.181 1.505 25630 3267 1 7 . 1 1 47 47 ARG CB C 47 29.376 29.376 29.729 -0.353 25630 3268 1 7 . 1 1 47 47 ARG H H 47 8.514 8.514 7.965 0.549 25630 3269 1 7 . 1 1 48 48 THR N N 48 117.694 117.694 116.918 0.776 25630 3270 1 7 . 1 1 48 48 THR HA H 48 3.942 3.942 4.041 -0.099 25630 3271 1 7 . 1 1 48 48 THR C C 48 175.681 175.681 176.187 -0.506 25630 3272 1 7 . 1 1 48 48 THR CA C 48 66.372 66.372 67.025 -0.652 25630 3273 1 7 . 1 1 48 48 THR CB C 48 68.274 68.274 68.575 -0.301 25630 3274 1 7 . 1 1 48 48 THR H H 48 8.269 8.269 8.486 -0.217 25630 3275 1 7 . 1 1 49 49 ALA N N 49 124.040 124.040 122.553 1.487 25630 3276 1 7 . 1 1 49 49 ALA HA H 49 3.654 3.654 4.206 -0.552 25630 3277 1 7 . 1 1 49 49 ALA C C 49 177.390 177.390 178.867 -1.477 25630 3278 1 7 . 1 1 49 49 ALA CA C 49 55.805 55.805 55.094 0.711 25630 3279 1 7 . 1 1 49 49 ALA CB C 49 16.984 16.984 18.025 -1.041 25630 3280 1 7 . 1 1 49 49 ALA H H 49 8.550 8.550 7.717 0.833 25630 3281 1 7 . 1 1 50 50 CYS N N 50 116.329 116.329 118.895 -2.566 25630 3282 1 7 . 1 1 50 50 CYS HA H 50 3.545 3.545 4.129 -0.584 25630 3283 1 7 . 1 1 50 50 CYS C C 50 175.828 175.828 176.792 -0.964 25630 3284 1 7 . 1 1 50 50 CYS CA C 50 60.131 60.131 62.507 -2.376 25630 3285 1 7 . 1 1 50 50 CYS CB C 50 34.259 34.259 26.099 8.160 25630 3286 1 7 . 1 1 50 50 CYS H H 50 7.989 7.989 7.908 0.081 25630 3287 1 7 . 1 1 51 51 ASN N N 51 120.444 120.444 119.283 1.161 25630 3288 1 7 . 1 1 51 51 ASN HA H 51 4.378 4.378 4.430 -0.052 25630 3289 1 7 . 1 1 51 51 ASN C C 51 178.199 178.199 177.639 0.560 25630 3290 1 7 . 1 1 51 51 ASN CA C 51 56.565 56.565 56.788 -0.223 25630 3291 1 7 . 1 1 51 51 ASN CB C 51 38.593 38.593 37.575 1.018 25630 3292 1 7 . 1 1 51 51 ASN H H 51 8.323 8.323 8.359 -0.036 25630 3293 1 7 . 1 1 52 52 CYS N N 52 119.488 119.488 120.272 -0.784 25630 3294 1 7 . 1 1 52 52 CYS HA H 52 4.373 4.373 4.008 0.365 25630 3295 1 7 . 1 1 52 52 CYS C C 52 177.254 177.254 177.119 0.135 25630 3296 1 7 . 1 1 52 52 CYS CA C 52 57.075 57.075 63.367 -6.292 25630 3297 1 7 . 1 1 52 52 CYS CB C 52 36.261 36.261 26.201 10.060 25630 3298 1 7 . 1 1 52 52 CYS H H 52 8.782 8.782 7.600 1.182 25630 3299 1 7 . 1 1 53 53 LEU N N 53 122.617 122.617 119.638 2.979 25630 3300 1 7 . 1 1 53 53 LEU HA H 53 3.901 3.901 3.813 0.088 25630 3301 1 7 . 1 1 53 53 LEU C C 53 177.359 177.359 178.817 -1.458 25630 3302 1 7 . 1 1 53 53 LEU CA C 53 57.761 57.761 58.033 -0.272 25630 3303 1 7 . 1 1 53 53 LEU CB C 53 41.156 41.156 41.751 -0.595 25630 3304 1 7 . 1 1 53 53 LEU H H 53 8.549 8.549 7.753 0.796 25630 3305 1 7 . 1 1 54 54 LYS N N 54 122.313 122.313 119.385 2.928 25630 3306 1 7 . 1 1 54 54 LYS HA H 54 4.000 4.000 3.804 0.196 25630 3307 1 7 . 1 1 54 54 LYS C C 54 178.656 178.656 178.792 -0.136 25630 3308 1 7 . 1 1 54 54 LYS CA C 54 59.520 59.520 59.427 0.093 25630 3309 1 7 . 1 1 54 54 LYS CB C 54 33.175 33.175 31.914 1.261 25630 3310 1 7 . 1 1 54 54 LYS H H 54 8.409 8.409 8.361 0.049 25630 3311 1 7 . 1 1 55 55 GLN N N 55 117.604 117.604 116.936 0.668 25630 3312 1 7 . 1 1 55 55 GLN HA H 55 4.122 4.122 4.035 0.087 25630 3313 1 7 . 1 1 55 55 GLN C C 55 179.074 179.074 178.619 0.455 25630 3314 1 7 . 1 1 55 55 GLN CA C 55 58.354 58.354 59.198 -0.844 25630 3315 1 7 . 1 1 55 55 GLN CB C 55 27.875 27.875 28.365 -0.490 25630 3316 1 7 . 1 1 55 55 GLN H H 55 7.735 7.735 8.527 -0.792 25630 3317 1 7 . 1 1 56 56 THR N N 56 118.464 118.464 116.273 2.191 25630 3318 1 7 . 1 1 56 56 THR HA H 56 3.884 3.884 3.996 -0.112 25630 3319 1 7 . 1 1 56 56 THR C C 56 175.389 175.389 176.159 -0.770 25630 3320 1 7 . 1 1 56 56 THR CA C 56 66.829 66.829 65.774 1.055 25630 3321 1 7 . 1 1 56 56 THR CB C 56 68.401 68.401 68.635 -0.234 25630 3322 1 7 . 1 1 56 56 THR H H 56 8.091 8.091 7.616 0.475 25630 3323 1 7 . 1 1 57 57 ALA N N 57 121.609 121.609 123.230 -1.621 25630 3324 1 7 . 1 1 57 57 ALA HA H 57 3.852 3.852 3.981 -0.129 25630 3325 1 7 . 1 1 57 57 ALA C C 57 178.061 178.061 178.502 -0.441 25630 3326 1 7 . 1 1 57 57 ALA CA C 57 54.457 54.457 55.047 -0.590 25630 3327 1 7 . 1 1 57 57 ALA CB C 57 16.448 16.448 18.134 -1.686 25630 3328 1 7 . 1 1 57 57 ALA H H 57 8.619 8.619 8.336 0.283 25630 3329 1 7 . 1 1 58 58 ASN N N 58 113.169 113.169 115.268 -2.099 25630 3330 1 7 . 1 1 58 58 ASN HA H 58 4.446 4.446 4.494 -0.048 25630 3331 1 7 . 1 1 58 58 ASN C C 58 174.706 174.706 176.622 -1.916 25630 3332 1 7 . 1 1 58 58 ASN CA C 58 54.894 54.894 55.628 -0.734 25630 3333 1 7 . 1 1 58 58 ASN CB C 58 39.606 39.606 39.047 0.559 25630 3334 1 7 . 1 1 58 58 ASN H H 58 7.695 7.695 8.296 -0.601 25630 3335 1 7 . 1 1 59 59 ALA N N 59 119.952 119.952 121.948 -1.996 25630 3336 1 7 . 1 1 59 59 ALA HA H 59 4.382 4.382 4.194 0.188 25630 3337 1 7 . 1 1 59 59 ALA C C 59 176.966 176.966 178.587 -1.621 25630 3338 1 7 . 1 1 59 59 ALA CA C 59 52.142 52.142 53.447 -1.305 25630 3339 1 7 . 1 1 59 59 ALA CB C 59 19.235 19.235 19.307 -0.072 25630 3340 1 7 . 1 1 59 59 ALA H H 59 7.506 7.506 7.624 -0.118 25630 3341 1 7 . 1 1 60 60 ILE N N 60 120.027 120.027 119.976 0.051 25630 3342 1 7 . 1 1 60 60 ILE HA H 60 4.067 4.067 3.881 0.186 25630 3343 1 7 . 1 1 60 60 ILE C C 60 175.009 175.009 176.174 -1.165 25630 3344 1 7 . 1 1 60 60 ILE CA C 60 60.557 60.557 61.934 -1.377 25630 3345 1 7 . 1 1 60 60 ILE CB C 60 37.427 37.427 36.949 0.478 25630 3346 1 7 . 1 1 60 60 ILE H H 60 7.184 7.184 7.756 -0.572 25630 3347 1 7 . 1 1 61 61 ALA N N 61 130.970 130.970 130.522 0.448 25630 3348 1 7 . 1 1 61 61 ALA HA H 61 4.151 4.151 4.170 -0.019 25630 3349 1 7 . 1 1 61 61 ALA C C 61 177.709 177.709 177.268 0.441 25630 3350 1 7 . 1 1 61 61 ALA CA C 61 53.789 53.789 53.784 0.005 25630 3351 1 7 . 1 1 61 61 ALA CB C 61 18.322 18.322 18.487 -0.165 25630 3352 1 7 . 1 1 61 61 ALA H H 61 8.486 8.486 8.718 -0.232 25630 3353 1 7 . 1 1 62 62 ASP N N 62 114.991 114.991 116.351 -1.360 25630 3354 1 7 . 1 1 62 62 ASP HA H 62 4.479 4.479 4.778 -0.299 25630 3355 1 7 . 1 1 62 62 ASP C C 62 174.354 174.354 174.591 -0.237 25630 3356 1 7 . 1 1 62 62 ASP CA C 62 52.461 52.461 53.457 -0.996 25630 3357 1 7 . 1 1 62 62 ASP CB C 62 37.900 37.900 40.758 -2.858 25630 3358 1 7 . 1 1 62 62 ASP H H 62 8.543 8.543 8.135 0.408 25630 3359 1 7 . 1 1 63 63 LEU N N 63 118.657 118.657 123.167 -4.510 25630 3360 1 7 . 1 1 63 63 LEU HA H 63 3.766 3.766 4.326 -0.560 25630 3361 1 7 . 1 1 63 63 LEU C C 63 175.646 175.646 175.189 0.457 25630 3362 1 7 . 1 1 63 63 LEU CA C 63 55.561 55.561 54.739 0.822 25630 3363 1 7 . 1 1 63 63 LEU CB C 63 42.180 42.180 42.523 -0.343 25630 3364 1 7 . 1 1 63 63 LEU H H 63 7.012 7.012 7.524 -0.512 25630 3365 1 7 . 1 1 64 64 ASN N N 64 125.123 125.123 126.536 -1.413 25630 3366 1 7 . 1 1 64 64 ASN HA H 64 4.711 4.711 4.726 -0.015 25630 3367 1 7 . 1 1 64 64 ASN C C 64 175.086 175.086 175.959 -0.873 25630 3368 1 7 . 1 1 64 64 ASN CA C 64 51.664 51.664 52.048 -0.384 25630 3369 1 7 . 1 1 64 64 ASN CB C 64 37.101 37.101 38.005 -0.904 25630 3370 1 7 . 1 1 64 64 ASN H H 64 8.947 8.947 8.210 0.737 25630 3371 1 7 . 1 1 65 65 LEU N N 65 126.541 126.541 124.994 1.547 25630 3372 1 7 . 1 1 65 65 LEU HA H 65 3.915 3.915 3.731 0.184 25630 3373 1 7 . 1 1 65 65 LEU C C 65 179.923 179.923 178.189 1.734 25630 3374 1 7 . 1 1 65 65 LEU CA C 65 57.744 57.744 58.590 -0.846 25630 3375 1 7 . 1 1 65 65 LEU CB C 65 40.932 40.932 41.486 -0.554 25630 3376 1 7 . 1 1 65 65 LEU H H 65 8.515 8.515 8.000 0.515 25630 3377 1 7 . 1 1 66 66 ASN N N 66 119.258 119.258 117.049 2.209 25630 3378 1 7 . 1 1 66 66 ASN HA H 66 4.515 4.515 4.394 0.121 25630 3379 1 7 . 1 1 66 66 ASN C C 66 177.832 177.832 177.533 0.299 25630 3380 1 7 . 1 1 66 66 ASN CA C 66 55.848 55.848 56.270 -0.422 25630 3381 1 7 . 1 1 66 66 ASN CB C 66 37.670 37.670 37.983 -0.313 25630 3382 1 7 . 1 1 66 66 ASN H H 66 8.376 8.376 8.238 0.138 25630 3383 1 7 . 1 1 67 67 ALA N N 67 125.139 125.139 123.186 1.953 25630 3384 1 7 . 1 1 67 67 ALA HA H 67 4.144 4.144 4.359 -0.215 25630 3385 1 7 . 1 1 67 67 ALA C C 67 180.849 180.849 178.835 2.014 25630 3386 1 7 . 1 1 67 67 ALA CA C 67 53.639 53.639 54.503 -0.864 25630 3387 1 7 . 1 1 67 67 ALA CB C 67 17.340 17.340 18.442 -1.103 25630 3388 1 7 . 1 1 67 67 ALA H H 67 7.835 7.835 8.039 -0.204 25630 3389 1 7 . 1 1 68 68 ALA N N 68 119.901 119.901 119.817 0.084 25630 3390 1 7 . 1 1 68 68 ALA HA H 68 3.959 3.959 4.138 -0.179 25630 3391 1 7 . 1 1 68 68 ALA C C 68 178.092 178.092 178.348 -0.256 25630 3392 1 7 . 1 1 68 68 ALA CA C 68 54.893 54.893 54.056 0.837 25630 3393 1 7 . 1 1 68 68 ALA CB C 68 17.324 17.324 18.640 -1.317 25630 3394 1 7 . 1 1 68 68 ALA H H 68 8.187 8.187 8.386 -0.199 25630 3395 1 7 . 1 1 69 69 ALA N N 69 118.169 118.169 119.889 -1.720 25630 3396 1 7 . 1 1 69 69 ALA HA H 69 4.233 4.233 4.487 -0.254 25630 3397 1 7 . 1 1 69 69 ALA C C 69 179.953 179.953 179.184 0.769 25630 3398 1 7 . 1 1 69 69 ALA CA C 69 54.247 54.247 53.941 0.306 25630 3399 1 7 . 1 1 69 69 ALA CB C 69 17.943 17.943 19.965 -2.022 25630 3400 1 7 . 1 1 69 69 ALA H H 69 7.987 7.987 7.897 0.090 25630 3401 1 7 . 1 1 70 70 GLY N N 70 102.097 102.097 107.555 -5.458 25630 3402 1 7 . 1 1 70 70 GLY C C 70 173.713 173.713 175.769 -2.056 25630 3403 1 7 . 1 1 70 70 GLY CA C 70 44.759 44.759 46.416 -1.657 25630 3404 1 7 . 1 1 70 70 GLY H H 70 7.736 7.736 7.795 -0.059 25630 3405 1 7 . 1 1 71 71 LEU N N 71 121.365 121.365 123.380 -2.015 25630 3406 1 7 . 1 1 71 71 LEU HA H 71 4.384 4.384 4.037 0.347 25630 3407 1 7 . 1 1 71 71 LEU C C 71 173.650 173.650 175.741 -2.091 25630 3408 1 7 . 1 1 71 71 LEU CA C 71 59.180 59.180 59.796 -0.616 25630 3409 1 7 . 1 1 71 71 LEU CB C 71 39.573 39.573 39.955 -0.382 25630 3410 1 7 . 1 1 71 71 LEU H H 71 7.180 7.180 8.429 -1.249 25630 3411 1 7 . 1 1 72 72 PRO HA H 72 3.870 3.870 4.204 -0.334 25630 3412 1 7 . 1 1 72 72 PRO CA C 72 67.297 67.297 65.305 1.992 25630 3413 1 7 . 1 1 72 72 PRO CB C 72 30.585 30.585 30.822 -0.237 25630 3414 1 7 . 1 1 73 73 ALA N N 73 119.120 119.120 119.630 -0.510 25630 3415 1 7 . 1 1 73 73 ALA HA H 73 4.108 4.108 4.161 -0.053 25630 3416 1 7 . 1 1 73 73 ALA C C 73 181.784 181.784 179.146 2.638 25630 3417 1 7 . 1 1 73 73 ALA CA C 73 54.924 54.924 54.561 0.363 25630 3418 1 7 . 1 1 73 73 ALA CB C 73 17.718 17.718 18.342 -0.624 25630 3419 1 7 . 1 1 73 73 ALA H H 73 7.959 7.959 7.649 0.310 25630 3420 1 7 . 1 1 74 74 LYS N N 74 119.785 119.785 116.740 3.045 25630 3421 1 7 . 1 1 74 74 LYS HA H 74 4.059 4.059 4.387 -0.328 25630 3422 1 7 . 1 1 74 74 LYS C C 74 178.488 178.488 177.980 0.508 25630 3423 1 7 . 1 1 74 74 LYS CA C 74 58.725 58.725 57.547 1.178 25630 3424 1 7 . 1 1 74 74 LYS CB C 74 32.390 32.390 33.615 -1.225 25630 3425 1 7 . 1 1 74 74 LYS H H 74 8.259 8.259 7.597 0.662 25630 3426 1 7 . 1 1 75 75 CYS N N 75 114.446 114.446 115.908 -1.462 25630 3427 1 7 . 1 1 75 75 CYS HA H 75 4.759 4.759 4.107 0.652 25630 3428 1 7 . 1 1 75 75 CYS C C 75 174.445 174.445 176.201 -1.756 25630 3429 1 7 . 1 1 75 75 CYS CA C 75 52.907 52.907 61.634 -8.727 25630 3430 1 7 . 1 1 75 75 CYS CB C 75 35.891 35.891 26.520 9.371 25630 3431 1 7 . 1 1 75 75 CYS H H 75 7.807 7.807 8.552 -0.745 25630 3432 1 7 . 1 1 76 76 GLY N N 76 110.871 110.871 104.690 6.181 25630 3433 1 7 . 1 1 76 76 GLY C C 76 173.789 173.789 174.896 -1.107 25630 3434 1 7 . 1 1 76 76 GLY CA C 76 46.203 46.203 45.401 0.802 25630 3435 1 7 . 1 1 76 76 GLY H H 76 7.987 7.987 7.503 0.484 25630 3436 1 7 . 1 1 77 77 VAL N N 77 119.259 119.259 122.304 -3.045 25630 3437 1 7 . 1 1 77 77 VAL HA H 77 4.149 4.149 3.716 0.433 25630 3438 1 7 . 1 1 77 77 VAL C C 77 173.606 173.606 176.463 -2.857 25630 3439 1 7 . 1 1 77 77 VAL CA C 77 60.010 60.010 63.328 -3.318 25630 3440 1 7 . 1 1 77 77 VAL CB C 77 33.888 33.888 31.498 2.390 25630 3441 1 7 . 1 1 77 77 VAL H H 77 8.168 8.168 7.590 0.578 25630 3442 1 7 . 1 1 78 78 ASN N N 78 125.739 125.739 116.632 9.107 25630 3443 1 7 . 1 1 78 78 ASN HA H 78 4.687 4.687 4.550 0.137 25630 3444 1 7 . 1 1 78 78 ASN C C 78 173.972 173.972 173.899 0.073 25630 3445 1 7 . 1 1 78 78 ASN CA C 78 51.804 51.804 54.447 -2.643 25630 3446 1 7 . 1 1 78 78 ASN CB C 78 37.522 37.522 37.429 0.093 25630 3447 1 7 . 1 1 78 78 ASN H H 78 8.595 8.595 8.337 0.258 25630 3448 1 7 . 1 1 79 79 ILE N N 79 123.269 123.269 117.463 5.806 25630 3449 1 7 . 1 1 79 79 ILE HA H 79 4.407 4.407 4.383 0.024 25630 3450 1 7 . 1 1 79 79 ILE C C 79 175.707 175.707 173.539 2.168 25630 3451 1 7 . 1 1 79 79 ILE CA C 79 57.263 57.263 57.692 -0.429 25630 3452 1 7 . 1 1 79 79 ILE CB C 79 38.692 38.692 41.054 -2.362 25630 3453 1 7 . 1 1 79 79 ILE H H 79 7.490 7.490 7.196 0.294 25630 3454 1 7 . 1 1 80 80 PRO HA H 80 4.545 4.545 4.522 0.023 25630 3455 1 7 . 1 1 80 80 PRO C C 80 173.928 173.928 175.830 -1.902 25630 3456 1 7 . 1 1 80 80 PRO CA C 80 63.769 63.769 62.678 1.091 25630 3457 1 7 . 1 1 80 80 PRO CB C 80 30.333 30.333 30.473 -0.140 25630 3458 1 7 . 1 1 81 81 TYR N N 81 115.596 115.596 124.504 -8.908 25630 3459 1 7 . 1 1 81 81 TYR HA H 81 4.756 4.756 4.662 0.094 25630 3460 1 7 . 1 1 81 81 TYR C C 81 172.554 172.554 175.779 -3.225 25630 3461 1 7 . 1 1 81 81 TYR CA C 81 54.217 54.217 54.491 -0.274 25630 3462 1 7 . 1 1 81 81 TYR CB C 81 39.435 39.435 38.071 1.364 25630 3463 1 7 . 1 1 81 81 TYR H H 81 6.566 6.566 8.283 -1.717 25630 3464 1 7 . 1 1 82 82 LYS N N 82 118.572 118.572 122.819 -4.247 25630 3465 1 7 . 1 1 82 82 LYS HA H 82 4.407 4.407 4.396 0.011 25630 3466 1 7 . 1 1 82 82 LYS C C 82 176.795 176.795 176.375 0.420 25630 3467 1 7 . 1 1 82 82 LYS CA C 82 54.523 54.523 56.181 -1.657 25630 3468 1 7 . 1 1 82 82 LYS CB C 82 33.584 33.584 33.361 0.223 25630 3469 1 7 . 1 1 82 82 LYS H H 82 8.170 8.170 8.090 0.080 25630 3470 1 7 . 1 1 83 83 ILE N N 83 128.219 128.219 120.312 7.907 25630 3471 1 7 . 1 1 83 83 ILE HA H 83 4.059 4.059 3.972 0.087 25630 3472 1 7 . 1 1 83 83 ILE CA C 83 61.386 61.386 60.489 0.898 25630 3473 1 7 . 1 1 83 83 ILE CB C 83 35.648 35.648 36.758 -1.111 25630 3474 1 7 . 1 1 83 83 ILE H H 83 9.374 9.374 8.759 0.615 25630 3475 1 7 . 1 1 84 84 SER N N 84 121.442 121.442 113.404 8.038 25630 3476 1 7 . 1 1 84 84 SER HA H 84 4.702 4.702 4.268 0.434 25630 3477 1 7 . 1 1 84 84 SER C C 84 176.398 176.398 173.046 3.352 25630 3478 1 7 . 1 1 84 84 SER CA C 84 54.826 54.826 58.681 -3.855 25630 3479 1 7 . 1 1 84 84 SER CB C 84 64.454 64.454 62.954 1.500 25630 3480 1 7 . 1 1 84 84 SER H H 84 6.689 6.689 7.912 -1.223 25630 3481 1 7 . 1 1 85 85 PRO HA H 85 4.563 4.563 4.376 0.187 25630 3482 1 7 . 1 1 85 85 PRO CA C 85 63.711 63.711 64.391 -0.680 25630 3483 1 7 . 1 1 85 85 PRO CB C 85 31.930 31.930 32.033 -0.103 25630 3484 1 7 . 1 1 86 86 SER N N 86 109.474 109.474 115.701 -6.227 25630 3485 1 7 . 1 1 86 86 SER HA H 86 4.638 4.638 4.573 0.065 25630 3486 1 7 . 1 1 86 86 SER CA C 86 56.757 56.757 57.254 -0.497 25630 3487 1 7 . 1 1 86 86 SER CB C 86 63.491 63.491 64.429 -0.938 25630 3488 1 7 . 1 1 86 86 SER H H 86 7.947 7.947 7.622 0.325 25630 3489 1 7 . 1 1 87 87 THR HA H 87 3.809 3.809 4.051 -0.242 25630 3490 1 7 . 1 1 87 87 THR C C 87 171.688 171.688 173.941 -2.253 25630 3491 1 7 . 1 1 87 87 THR CA C 87 63.765 63.765 63.074 0.691 25630 3492 1 7 . 1 1 87 87 THR CB C 87 69.896 69.896 69.285 0.611 25630 3493 1 7 . 1 1 88 88 ASP N N 88 124.634 124.634 123.999 0.635 25630 3494 1 7 . 1 1 88 88 ASP HA H 88 4.789 4.789 4.740 0.049 25630 3495 1 7 . 1 1 88 88 ASP CA C 88 51.746 51.746 53.619 -1.873 25630 3496 1 7 . 1 1 88 88 ASP CB C 88 38.906 38.906 42.952 -4.046 25630 3497 1 7 . 1 1 88 88 ASP H H 88 8.628 8.628 7.913 0.715 25630 3498 1 7 . 1 1 89 89 CYS N N 89 125.452 125.452 123.853 1.599 25630 3499 1 7 . 1 1 89 89 CYS HA H 89 4.425 4.425 4.629 -0.204 25630 3500 1 7 . 1 1 89 89 CYS C C 89 175.346 175.346 175.292 0.054 25630 3501 1 7 . 1 1 89 89 CYS CA C 89 54.899 54.899 58.018 -3.119 25630 3502 1 7 . 1 1 89 89 CYS CB C 89 36.960 36.960 27.209 9.752 25630 3503 1 7 . 1 1 89 89 CYS H H 89 8.647 8.647 8.870 -0.223 25630 3504 1 7 . 1 1 90 90 ASN N N 90 116.267 116.267 118.949 -2.682 25630 3505 1 7 . 1 1 90 90 ASN HA H 90 4.456 4.456 4.419 0.037 25630 3506 1 7 . 1 1 90 90 ASN C C 90 175.437 175.437 176.585 -1.148 25630 3507 1 7 . 1 1 90 90 ASN CA C 90 54.691 54.691 56.062 -1.371 25630 3508 1 7 . 1 1 90 90 ASN CB C 90 37.607 37.607 38.662 -1.055 25630 3509 1 7 . 1 1 90 90 ASN H H 90 8.348 8.348 8.020 0.328 25630 3510 1 7 . 1 1 91 91 ARG N N 91 115.341 115.341 118.035 -2.694 25630 3511 1 7 . 1 1 91 91 ARG HA H 91 4.322 4.322 4.250 0.072 25630 3512 1 7 . 1 1 91 91 ARG C C 91 175.783 175.783 176.601 -0.818 25630 3513 1 7 . 1 1 91 91 ARG CA C 91 54.915 54.915 58.131 -3.216 25630 3514 1 7 . 1 1 91 91 ARG CB C 91 30.145 30.145 30.711 -0.566 25630 3515 1 7 . 1 1 91 91 ARG H H 91 7.133 7.133 7.989 -0.856 25630 3516 1 7 . 1 1 92 92 VAL N N 92 121.309 121.309 119.755 1.554 25630 3517 1 7 . 1 1 92 92 VAL HA H 92 3.949 3.949 4.004 -0.055 25630 3518 1 7 . 1 1 92 92 VAL C C 92 174.084 174.084 176.021 -1.937 25630 3519 1 7 . 1 1 92 92 VAL CA C 92 62.875 62.875 62.298 0.577 25630 3520 1 7 . 1 1 92 92 VAL CB C 92 32.316 32.316 31.088 1.228 25630 3521 1 7 . 1 1 92 92 VAL H H 92 6.990 6.990 7.139 -0.149 25630 3522 1 8 . 1 1 2 2 THR N N 2 113.980 113.980 113.140 0.840 25630 3523 1 8 . 1 1 2 2 THR HA H 2 4.807 4.807 4.752 0.055 25630 3524 1 8 . 1 1 2 2 THR C C 2 175.361 175.361 175.302 0.059 25630 3525 1 8 . 1 1 2 2 THR CA C 2 58.659 58.659 60.201 -1.542 25630 3526 1 8 . 1 1 2 2 THR CB C 2 71.525 71.525 71.563 -0.038 25630 3527 1 8 . 1 1 2 2 THR H H 2 8.298 8.298 7.867 0.431 25630 3528 1 8 . 1 1 3 3 CYS N N 3 116.929 116.929 120.673 -3.744 25630 3529 1 8 . 1 1 3 3 CYS HA H 3 4.720 4.720 4.151 0.569 25630 3530 1 8 . 1 1 3 3 CYS CA C 3 54.110 54.110 62.376 -8.266 25630 3531 1 8 . 1 1 3 3 CYS CB C 3 31.416 31.416 26.515 4.901 25630 3532 1 8 . 1 1 3 3 CYS H H 3 9.330 9.330 8.677 0.653 25630 3533 1 8 . 1 1 4 4 GLY N N 4 110.525 110.525 106.576 3.949 25630 3534 1 8 . 1 1 4 4 GLY CA C 4 46.883 46.883 46.693 0.190 25630 3535 1 8 . 1 1 4 4 GLY H H 4 8.739 8.739 7.810 0.929 25630 3536 1 8 . 1 1 5 5 GLN N N 5 121.402 121.402 121.439 -0.037 25630 3537 1 8 . 1 1 5 5 GLN HA H 5 4.122 4.122 4.197 -0.075 25630 3538 1 8 . 1 1 5 5 GLN C C 5 178.604 178.604 178.661 -0.057 25630 3539 1 8 . 1 1 5 5 GLN CA C 5 58.066 58.066 57.936 0.130 25630 3540 1 8 . 1 1 5 5 GLN CB C 5 28.797 28.797 28.306 0.491 25630 3541 1 8 . 1 1 5 5 GLN H H 5 7.651 7.651 7.987 -0.336 25630 3542 1 8 . 1 1 6 6 VAL N N 6 120.864 120.864 119.542 1.322 25630 3543 1 8 . 1 1 6 6 VAL HA H 6 3.622 3.622 3.568 0.054 25630 3544 1 8 . 1 1 6 6 VAL C C 6 176.268 176.268 177.938 -1.670 25630 3545 1 8 . 1 1 6 6 VAL CA C 6 65.939 65.939 66.600 -0.661 25630 3546 1 8 . 1 1 6 6 VAL CB C 6 31.034 31.034 31.419 -0.385 25630 3547 1 8 . 1 1 6 6 VAL H H 6 7.566 7.566 8.579 -1.013 25630 3548 1 8 . 1 1 7 7 THR N N 7 113.871 113.871 114.309 -0.438 25630 3549 1 8 . 1 1 7 7 THR HA H 7 3.697 3.697 3.999 -0.302 25630 3550 1 8 . 1 1 7 7 THR CA C 7 65.959 65.959 66.628 -0.669 25630 3551 1 8 . 1 1 7 7 THR CB C 7 68.108 68.108 68.052 0.056 25630 3552 1 8 . 1 1 7 7 THR H H 7 8.835 8.835 7.660 1.175 25630 3553 1 8 . 1 1 8 8 GLY N N 8 108.517 108.517 108.643 -0.126 25630 3554 1 8 . 1 1 8 8 GLY C C 8 175.828 175.828 175.049 0.779 25630 3555 1 8 . 1 1 8 8 GLY CA C 8 46.675 46.675 46.130 0.545 25630 3556 1 8 . 1 1 8 8 GLY H H 8 7.900 7.900 7.549 0.351 25630 3557 1 8 . 1 1 9 9 ALA N N 9 123.446 123.446 123.888 -0.442 25630 3558 1 8 . 1 1 9 9 ALA HA H 9 4.160 4.160 4.365 -0.205 25630 3559 1 8 . 1 1 9 9 ALA C C 9 177.583 177.583 179.491 -1.908 25630 3560 1 8 . 1 1 9 9 ALA CA C 9 54.053 54.053 53.802 0.251 25630 3561 1 8 . 1 1 9 9 ALA CB C 9 17.914 17.914 19.185 -1.271 25630 3562 1 8 . 1 1 9 9 ALA H H 9 7.483 7.483 7.852 -0.369 25630 3563 1 8 . 1 1 10 10 LEU N N 10 112.012 112.012 118.106 -6.094 25630 3564 1 8 . 1 1 10 10 LEU HA H 10 4.156 4.156 4.357 -0.201 25630 3565 1 8 . 1 1 10 10 LEU C C 10 177.573 177.573 178.994 -1.421 25630 3566 1 8 . 1 1 10 10 LEU CA C 10 53.384 53.384 55.596 -2.212 25630 3567 1 8 . 1 1 10 10 LEU CB C 10 42.102 42.102 40.995 1.107 25630 3568 1 8 . 1 1 10 10 LEU H H 10 7.279 7.279 7.857 -0.578 25630 3569 1 8 . 1 1 11 11 ALA N N 11 124.705 124.705 124.475 0.230 25630 3570 1 8 . 1 1 11 11 ALA HA H 11 4.251 4.251 4.152 0.099 25630 3571 1 8 . 1 1 11 11 ALA C C 11 176.754 176.754 176.587 0.167 25630 3572 1 8 . 1 1 11 11 ALA CA C 11 56.645 56.645 56.658 -0.013 25630 3573 1 8 . 1 1 11 11 ALA CB C 11 15.503 15.503 16.341 -0.838 25630 3574 1 8 . 1 1 11 11 ALA H H 11 7.517 7.517 7.962 -0.445 25630 3575 1 8 . 1 1 12 12 PRO HA H 12 4.663 4.663 4.475 0.188 25630 3576 1 8 . 1 1 12 12 PRO CA C 12 64.423 64.423 63.985 0.438 25630 3577 1 8 . 1 1 12 12 PRO CB C 12 31.214 31.214 30.991 0.223 25630 3578 1 8 . 1 1 13 13 CYS N N 13 114.976 114.976 115.388 -0.412 25630 3579 1 8 . 1 1 13 13 CYS HA H 13 4.618 4.618 4.649 -0.031 25630 3580 1 8 . 1 1 13 13 CYS C C 13 174.583 174.583 176.301 -1.718 25630 3581 1 8 . 1 1 13 13 CYS CA C 13 53.992 53.992 58.900 -4.908 25630 3582 1 8 . 1 1 13 13 CYS CB C 13 42.898 42.898 28.399 14.499 25630 3583 1 8 . 1 1 13 13 CYS H H 13 8.801 8.801 7.906 0.895 25630 3584 1 8 . 1 1 14 14 LEU N N 14 121.119 121.119 122.670 -1.551 25630 3585 1 8 . 1 1 14 14 LEU HA H 14 3.817 3.817 3.884 -0.067 25630 3586 1 8 . 1 1 14 14 LEU C C 14 177.057 177.057 178.870 -1.813 25630 3587 1 8 . 1 1 14 14 LEU CA C 14 59.303 59.303 59.035 0.268 25630 3588 1 8 . 1 1 14 14 LEU CB C 14 40.871 40.871 40.975 -0.104 25630 3589 1 8 . 1 1 14 14 LEU H H 14 7.665 7.665 8.010 -0.345 25630 3590 1 8 . 1 1 15 15 GLY N N 15 105.845 105.845 106.760 -0.915 25630 3591 1 8 . 1 1 15 15 GLY C C 15 176.947 176.947 175.586 1.361 25630 3592 1 8 . 1 1 15 15 GLY CA C 15 46.859 46.859 47.501 -0.642 25630 3593 1 8 . 1 1 15 15 GLY H H 15 8.322 8.322 8.496 -0.174 25630 3594 1 8 . 1 1 16 16 TYR N N 16 125.900 125.900 122.953 2.947 25630 3595 1 8 . 1 1 16 16 TYR HA H 16 4.004 4.004 4.338 -0.334 25630 3596 1 8 . 1 1 16 16 TYR C C 16 177.192 177.192 177.685 -0.493 25630 3597 1 8 . 1 1 16 16 TYR CA C 16 61.361 61.361 59.608 1.753 25630 3598 1 8 . 1 1 16 16 TYR CB C 16 37.906 37.906 38.743 -0.837 25630 3599 1 8 . 1 1 16 16 TYR H H 16 8.650 8.650 7.382 1.268 25630 3600 1 8 . 1 1 17 17 LEU N N 17 117.280 117.280 119.100 -1.820 25630 3601 1 8 . 1 1 17 17 LEU HA H 17 3.792 3.792 3.938 -0.146 25630 3602 1 8 . 1 1 17 17 LEU C C 17 175.010 175.010 179.098 -4.088 25630 3603 1 8 . 1 1 17 17 LEU CA C 17 56.221 56.221 57.674 -1.453 25630 3604 1 8 . 1 1 17 17 LEU CB C 17 41.476 41.476 41.477 -0.001 25630 3605 1 8 . 1 1 17 17 LEU H H 17 8.419 8.419 8.167 0.252 25630 3606 1 8 . 1 1 18 18 ARG N N 18 115.416 115.416 114.877 0.539 25630 3607 1 8 . 1 1 18 18 ARG HA H 18 4.579 4.579 4.828 -0.249 25630 3608 1 8 . 1 1 18 18 ARG C C 18 175.874 175.874 176.017 -0.143 25630 3609 1 8 . 1 1 18 18 ARG CA C 18 55.322 55.322 55.313 0.009 25630 3610 1 8 . 1 1 18 18 ARG CB C 18 30.375 30.375 30.083 0.292 25630 3611 1 8 . 1 1 18 18 ARG H H 18 7.212 7.212 8.112 -0.900 25630 3612 1 8 . 1 1 19 19 THR N N 19 117.095 117.095 118.394 -1.299 25630 3613 1 8 . 1 1 19 19 THR HA H 19 4.296 4.296 4.282 0.014 25630 3614 1 8 . 1 1 19 19 THR C C 19 173.038 173.038 174.027 -0.989 25630 3615 1 8 . 1 1 19 19 THR CA C 19 62.270 62.270 62.170 0.100 25630 3616 1 8 . 1 1 19 19 THR CB C 19 69.436 69.436 68.802 0.634 25630 3617 1 8 . 1 1 19 19 THR H H 19 7.462 7.462 7.357 0.105 25630 3618 1 8 . 1 1 20 20 ALA N N 20 128.239 128.239 130.006 -1.767 25630 3619 1 8 . 1 1 20 20 ALA HA H 20 4.151 4.151 4.191 -0.040 25630 3620 1 8 . 1 1 20 20 ALA C C 20 177.148 177.148 177.839 -0.691 25630 3621 1 8 . 1 1 20 20 ALA CA C 20 52.378 52.378 52.676 -0.298 25630 3622 1 8 . 1 1 20 20 ALA CB C 20 18.697 18.697 19.304 -0.607 25630 3623 1 8 . 1 1 20 20 ALA H H 20 8.607 8.607 8.235 0.372 25630 3624 1 8 . 1 1 21 21 GLY N N 21 106.473 106.473 110.807 -4.334 25630 3625 1 8 . 1 1 21 21 GLY C C 21 173.046 173.046 173.358 -0.312 25630 3626 1 8 . 1 1 21 21 GLY CA C 21 44.516 44.516 44.568 -0.052 25630 3627 1 8 . 1 1 21 21 GLY H H 21 8.207 8.207 8.323 -0.116 25630 3628 1 8 . 1 1 22 22 SER N N 22 115.592 115.592 117.047 -1.455 25630 3629 1 8 . 1 1 22 22 SER HA H 22 4.684 4.684 4.656 0.028 25630 3630 1 8 . 1 1 22 22 SER CA C 22 56.763 56.763 57.429 -0.666 25630 3631 1 8 . 1 1 22 22 SER CB C 22 62.875 62.875 63.037 -0.162 25630 3632 1 8 . 1 1 22 22 SER H H 22 8.177 8.177 8.230 -0.053 25630 3633 1 8 . 1 1 23 23 VAL N N 23 120.568 120.568 122.471 -1.903 25630 3634 1 8 . 1 1 23 23 VAL HA H 23 4.817 4.817 4.685 0.132 25630 3635 1 8 . 1 1 23 23 VAL CA C 23 58.256 58.256 58.677 -0.421 25630 3636 1 8 . 1 1 23 23 VAL CB C 23 32.614 32.614 33.003 -0.389 25630 3637 1 8 . 1 1 23 23 VAL H H 23 8.110 8.110 8.316 -0.206 25630 3638 1 8 . 1 1 24 24 PRO HA H 24 4.400 4.400 4.568 -0.168 25630 3639 1 8 . 1 1 24 24 PRO CA C 24 62.104 62.104 62.707 -0.603 25630 3640 1 8 . 1 1 24 24 PRO CB C 24 31.625 31.625 32.454 -0.829 25630 3641 1 8 . 1 1 25 25 VAL N N 25 122.444 122.444 122.307 0.137 25630 3642 1 8 . 1 1 25 25 VAL HA H 25 3.666 3.666 3.739 -0.073 25630 3643 1 8 . 1 1 25 25 VAL C C 25 174.735 174.735 174.879 -0.144 25630 3644 1 8 . 1 1 25 25 VAL CA C 25 58.474 58.474 61.355 -2.881 25630 3645 1 8 . 1 1 25 25 VAL CB C 25 32.625 32.625 31.755 0.870 25630 3646 1 8 . 1 1 25 25 VAL H H 25 8.187 8.187 8.374 -0.187 25630 3647 1 8 . 1 1 26 26 PRO HA H 26 4.437 4.437 4.418 0.019 25630 3648 1 8 . 1 1 26 26 PRO CA C 26 62.431 62.431 62.228 0.203 25630 3649 1 8 . 1 1 26 26 PRO CB C 26 32.069 32.069 32.524 -0.455 25630 3650 1 8 . 1 1 27 27 LEU N N 27 128.747 128.747 125.767 2.980 25630 3651 1 8 . 1 1 27 27 LEU HA H 27 3.982 3.982 4.020 -0.038 25630 3652 1 8 . 1 1 27 27 LEU C C 27 178.619 178.619 178.763 -0.144 25630 3653 1 8 . 1 1 27 27 LEU CA C 27 58.471 58.471 58.554 -0.083 25630 3654 1 8 . 1 1 27 27 LEU CB C 27 41.085 41.085 40.968 0.117 25630 3655 1 8 . 1 1 27 27 LEU H H 27 8.871 8.871 8.600 0.271 25630 3656 1 8 . 1 1 28 28 THR N N 28 107.667 107.667 113.098 -5.431 25630 3657 1 8 . 1 1 28 28 THR HA H 28 3.962 3.962 3.883 0.079 25630 3658 1 8 . 1 1 28 28 THR C C 28 177.771 177.771 176.560 1.211 25630 3659 1 8 . 1 1 28 28 THR CA C 28 64.160 64.160 65.650 -1.490 25630 3660 1 8 . 1 1 28 28 THR CB C 28 67.597 67.597 68.015 -0.418 25630 3661 1 8 . 1 1 28 28 THR H H 28 8.219 8.219 8.144 0.075 25630 3662 1 8 . 1 1 29 29 CYS N N 29 118.564 118.564 121.822 -3.258 25630 3663 1 8 . 1 1 29 29 CYS HA H 29 4.471 4.471 4.234 0.237 25630 3664 1 8 . 1 1 29 29 CYS C C 29 175.191 175.191 177.116 -1.925 25630 3665 1 8 . 1 1 29 29 CYS CA C 29 58.136 58.136 61.130 -2.994 25630 3666 1 8 . 1 1 29 29 CYS CB C 29 37.170 37.170 25.324 11.846 25630 3667 1 8 . 1 1 29 29 CYS H H 29 7.177 7.177 8.204 -1.027 25630 3668 1 8 . 1 1 30 30 CYS N N 30 117.371 117.371 120.174 -2.803 25630 3669 1 8 . 1 1 30 30 CYS HA H 30 4.656 4.656 4.013 0.643 25630 3670 1 8 . 1 1 30 30 CYS C C 30 177.101 177.101 177.444 -0.343 25630 3671 1 8 . 1 1 30 30 CYS CA C 30 54.440 54.440 63.749 -9.309 25630 3672 1 8 . 1 1 30 30 CYS CB C 30 31.989 31.989 25.768 6.221 25630 3673 1 8 . 1 1 30 30 CYS H H 30 7.522 7.522 7.991 -0.469 25630 3674 1 8 . 1 1 31 31 ASN N N 31 119.039 119.039 118.398 0.641 25630 3675 1 8 . 1 1 31 31 ASN HA H 31 4.468 4.468 4.411 0.057 25630 3676 1 8 . 1 1 31 31 ASN C C 31 178.119 178.119 177.914 0.205 25630 3677 1 8 . 1 1 31 31 ASN CA C 31 55.778 55.778 56.251 -0.473 25630 3678 1 8 . 1 1 31 31 ASN CB C 31 36.964 36.964 37.641 -0.677 25630 3679 1 8 . 1 1 31 31 ASN H H 31 8.703 8.703 8.376 0.327 25630 3680 1 8 . 1 1 32 32 GLY N N 32 111.440 111.440 108.498 2.942 25630 3681 1 8 . 1 1 32 32 GLY C C 32 175.147 175.147 176.248 -1.101 25630 3682 1 8 . 1 1 32 32 GLY CA C 32 47.058 47.058 46.795 0.263 25630 3683 1 8 . 1 1 32 32 GLY H H 32 7.744 7.744 7.485 0.259 25630 3684 1 8 . 1 1 33 33 VAL N N 33 122.106 122.106 122.764 -0.658 25630 3685 1 8 . 1 1 33 33 VAL HA H 33 3.470 3.470 3.642 -0.172 25630 3686 1 8 . 1 1 33 33 VAL C C 33 177.344 177.344 177.802 -0.458 25630 3687 1 8 . 1 1 33 33 VAL CA C 33 66.135 66.135 65.128 1.007 25630 3688 1 8 . 1 1 33 33 VAL CB C 33 31.530 31.530 30.901 0.629 25630 3689 1 8 . 1 1 33 33 VAL H H 33 8.139 8.139 8.222 -0.083 25630 3690 1 8 . 1 1 34 34 ARG N N 34 119.957 119.957 120.154 -0.197 25630 3691 1 8 . 1 1 34 34 ARG HA H 34 3.869 3.869 3.916 -0.047 25630 3692 1 8 . 1 1 34 34 ARG C C 34 178.641 178.641 178.661 -0.020 25630 3693 1 8 . 1 1 34 34 ARG CA C 34 59.563 59.563 59.957 -0.394 25630 3694 1 8 . 1 1 34 34 ARG CB C 34 29.978 29.978 29.966 0.012 25630 3695 1 8 . 1 1 34 34 ARG H H 34 8.452 8.452 8.630 -0.178 25630 3696 1 8 . 1 1 35 35 GLY N N 35 106.891 106.891 106.533 0.358 25630 3697 1 8 . 1 1 35 35 GLY C C 35 176.413 176.413 176.315 0.098 25630 3698 1 8 . 1 1 35 35 GLY CA C 35 46.653 46.653 46.679 -0.026 25630 3699 1 8 . 1 1 35 35 GLY H H 35 8.062 8.062 7.761 0.301 25630 3700 1 8 . 1 1 36 36 LEU N N 36 123.784 123.784 123.270 0.514 25630 3701 1 8 . 1 1 36 36 LEU HA H 36 4.077 4.077 3.883 0.194 25630 3702 1 8 . 1 1 36 36 LEU C C 36 177.848 177.848 178.300 -0.452 25630 3703 1 8 . 1 1 36 36 LEU CA C 36 57.160 57.160 57.855 -0.695 25630 3704 1 8 . 1 1 36 36 LEU CB C 36 41.162 41.162 41.786 -0.624 25630 3705 1 8 . 1 1 36 36 LEU H H 36 8.119 8.119 7.847 0.272 25630 3706 1 8 . 1 1 37 37 ASN N N 37 116.442 116.442 116.938 -0.496 25630 3707 1 8 . 1 1 37 37 ASN HA H 37 4.507 4.507 4.360 0.147 25630 3708 1 8 . 1 1 37 37 ASN C C 37 176.799 176.799 177.005 -0.206 25630 3709 1 8 . 1 1 37 37 ASN CA C 37 55.501 55.501 56.144 -0.643 25630 3710 1 8 . 1 1 37 37 ASN CB C 37 38.980 38.980 38.504 0.476 25630 3711 1 8 . 1 1 37 37 ASN H H 37 7.847 7.847 8.102 -0.255 25630 3712 1 8 . 1 1 38 38 ASN N N 38 115.049 115.049 116.724 -1.675 25630 3713 1 8 . 1 1 38 38 ASN HA H 38 4.421 4.421 4.692 -0.271 25630 3714 1 8 . 1 1 38 38 ASN C C 38 175.620 175.620 175.861 -0.241 25630 3715 1 8 . 1 1 38 38 ASN CA C 38 54.393 54.393 54.462 -0.069 25630 3716 1 8 . 1 1 38 38 ASN CB C 38 38.079 38.079 39.053 -0.975 25630 3717 1 8 . 1 1 38 38 ASN H H 38 7.982 7.982 7.543 0.439 25630 3718 1 8 . 1 1 39 39 ALA N N 39 119.826 119.826 121.409 -1.583 25630 3719 1 8 . 1 1 39 39 ALA HA H 39 4.269 4.269 4.258 0.011 25630 3720 1 8 . 1 1 39 39 ALA C C 39 176.587 176.587 178.061 -1.474 25630 3721 1 8 . 1 1 39 39 ALA CA C 39 52.527 52.527 53.394 -0.867 25630 3722 1 8 . 1 1 39 39 ALA CB C 39 18.507 18.507 19.311 -0.805 25630 3723 1 8 . 1 1 39 39 ALA H H 39 7.624 7.624 7.878 -0.254 25630 3724 1 8 . 1 1 40 40 ALA N N 40 120.950 120.950 120.317 0.633 25630 3725 1 8 . 1 1 40 40 ALA HA H 40 4.642 4.642 4.175 0.467 25630 3726 1 8 . 1 1 40 40 ALA C C 40 174.615 174.615 177.047 -2.432 25630 3727 1 8 . 1 1 40 40 ALA CA C 40 50.169 50.169 52.403 -2.234 25630 3728 1 8 . 1 1 40 40 ALA CB C 40 17.604 17.604 17.944 -0.340 25630 3729 1 8 . 1 1 40 40 ALA H H 40 7.290 7.290 7.873 -0.583 25630 3730 1 8 . 1 1 41 41 ARG N N 41 122.802 122.802 122.752 0.050 25630 3731 1 8 . 1 1 41 41 ARG HA H 41 4.478 4.478 4.378 0.100 25630 3732 1 8 . 1 1 41 41 ARG C C 41 176.177 176.177 175.934 0.243 25630 3733 1 8 . 1 1 41 41 ARG CA C 41 56.365 56.365 56.079 0.286 25630 3734 1 8 . 1 1 41 41 ARG CB C 41 31.618 31.618 31.090 0.528 25630 3735 1 8 . 1 1 41 41 ARG H H 41 9.046 9.046 8.101 0.945 25630 3736 1 8 . 1 1 42 42 THR N N 42 108.733 108.733 110.801 -2.068 25630 3737 1 8 . 1 1 42 42 THR HA H 42 4.740 4.740 4.583 0.157 25630 3738 1 8 . 1 1 42 42 THR C C 42 174.689 174.689 175.248 -0.559 25630 3739 1 8 . 1 1 42 42 THR CA C 42 58.871 58.871 59.800 -0.929 25630 3740 1 8 . 1 1 42 42 THR CB C 42 72.072 72.072 71.626 0.446 25630 3741 1 8 . 1 1 42 42 THR H H 42 7.739 7.739 7.438 0.301 25630 3742 1 8 . 1 1 43 43 THR N N 43 119.812 119.812 120.268 -0.456 25630 3743 1 8 . 1 1 43 43 THR HA H 43 3.847 3.847 4.005 -0.158 25630 3744 1 8 . 1 1 43 43 THR C C 43 175.620 175.620 176.368 -0.748 25630 3745 1 8 . 1 1 43 43 THR CA C 43 67.260 67.260 66.691 0.569 25630 3746 1 8 . 1 1 43 43 THR CB C 43 68.592 68.592 68.619 -0.027 25630 3747 1 8 . 1 1 43 43 THR H H 43 8.836 8.836 8.778 0.058 25630 3748 1 8 . 1 1 44 44 ILE N N 44 118.906 118.906 121.103 -2.197 25630 3749 1 8 . 1 1 44 44 ILE HA H 44 3.757 3.757 3.578 0.179 25630 3750 1 8 . 1 1 44 44 ILE C C 44 178.108 178.108 177.316 0.792 25630 3751 1 8 . 1 1 44 44 ILE CA C 44 63.926 63.926 65.159 -1.233 25630 3752 1 8 . 1 1 44 44 ILE CB C 44 37.142 37.142 37.456 -0.314 25630 3753 1 8 . 1 1 44 44 ILE H H 44 8.101 8.101 8.040 0.061 25630 3754 1 8 . 1 1 45 45 ASP N N 45 122.298 122.298 117.493 4.805 25630 3755 1 8 . 1 1 45 45 ASP HA H 45 4.425 4.425 4.522 -0.097 25630 3756 1 8 . 1 1 45 45 ASP C C 45 177.785 177.785 178.493 -0.708 25630 3757 1 8 . 1 1 45 45 ASP CA C 45 57.295 57.295 56.987 0.308 25630 3758 1 8 . 1 1 45 45 ASP CB C 45 40.548 40.548 40.666 -0.118 25630 3759 1 8 . 1 1 45 45 ASP H H 45 7.680 7.680 8.121 -0.441 25630 3760 1 8 . 1 1 46 46 ARG N N 46 120.337 120.337 120.062 0.275 25630 3761 1 8 . 1 1 46 46 ARG HA H 46 3.876 3.876 4.173 -0.297 25630 3762 1 8 . 1 1 46 46 ARG C C 46 177.807 177.807 178.134 -0.327 25630 3763 1 8 . 1 1 46 46 ARG CA C 46 60.277 60.277 58.471 1.806 25630 3764 1 8 . 1 1 46 46 ARG CB C 46 30.939 30.939 29.886 1.053 25630 3765 1 8 . 1 1 46 46 ARG H H 46 8.515 8.515 7.420 1.095 25630 3766 1 8 . 1 1 47 47 ARG N N 47 119.948 119.948 118.943 1.005 25630 3767 1 8 . 1 1 47 47 ARG HA H 47 3.665 3.665 4.368 -0.703 25630 3768 1 8 . 1 1 47 47 ARG C C 47 178.290 178.290 178.430 -0.140 25630 3769 1 8 . 1 1 47 47 ARG CA C 47 60.686 60.686 58.701 1.985 25630 3770 1 8 . 1 1 47 47 ARG CB C 47 29.376 29.376 29.633 -0.257 25630 3771 1 8 . 1 1 47 47 ARG H H 47 8.514 8.514 8.085 0.429 25630 3772 1 8 . 1 1 48 48 THR N N 48 117.694 117.694 116.123 1.571 25630 3773 1 8 . 1 1 48 48 THR HA H 48 3.942 3.942 4.026 -0.084 25630 3774 1 8 . 1 1 48 48 THR C C 48 175.681 175.681 176.095 -0.414 25630 3775 1 8 . 1 1 48 48 THR CA C 48 66.372 66.372 67.216 -0.844 25630 3776 1 8 . 1 1 48 48 THR CB C 48 68.274 68.274 68.727 -0.453 25630 3777 1 8 . 1 1 48 48 THR H H 48 8.269 8.269 8.074 0.195 25630 3778 1 8 . 1 1 49 49 ALA N N 49 124.040 124.040 123.516 0.524 25630 3779 1 8 . 1 1 49 49 ALA HA H 49 3.654 3.654 4.067 -0.413 25630 3780 1 8 . 1 1 49 49 ALA C C 49 177.390 177.390 178.494 -1.104 25630 3781 1 8 . 1 1 49 49 ALA CA C 49 55.805 55.805 55.341 0.464 25630 3782 1 8 . 1 1 49 49 ALA CB C 49 16.984 16.984 18.088 -1.104 25630 3783 1 8 . 1 1 49 49 ALA H H 49 8.550 8.550 7.666 0.884 25630 3784 1 8 . 1 1 50 50 CYS N N 50 116.329 116.329 117.854 -1.525 25630 3785 1 8 . 1 1 50 50 CYS HA H 50 3.545 3.545 4.131 -0.586 25630 3786 1 8 . 1 1 50 50 CYS C C 50 175.828 175.828 177.162 -1.334 25630 3787 1 8 . 1 1 50 50 CYS CA C 50 60.131 60.131 62.364 -2.233 25630 3788 1 8 . 1 1 50 50 CYS CB C 50 34.259 34.259 25.583 8.676 25630 3789 1 8 . 1 1 50 50 CYS H H 50 7.989 7.989 7.882 0.107 25630 3790 1 8 . 1 1 51 51 ASN N N 51 120.444 120.444 119.040 1.404 25630 3791 1 8 . 1 1 51 51 ASN HA H 51 4.378 4.378 4.483 -0.105 25630 3792 1 8 . 1 1 51 51 ASN C C 51 178.199 178.199 177.036 1.163 25630 3793 1 8 . 1 1 51 51 ASN CA C 51 56.565 56.565 56.126 0.439 25630 3794 1 8 . 1 1 51 51 ASN CB C 51 38.593 38.593 37.448 1.145 25630 3795 1 8 . 1 1 51 51 ASN H H 51 8.323 8.323 8.469 -0.146 25630 3796 1 8 . 1 1 52 52 CYS N N 52 119.488 119.488 120.099 -0.611 25630 3797 1 8 . 1 1 52 52 CYS HA H 52 4.373 4.373 4.125 0.248 25630 3798 1 8 . 1 1 52 52 CYS C C 52 177.254 177.254 177.145 0.109 25630 3799 1 8 . 1 1 52 52 CYS CA C 52 57.075 57.075 62.262 -5.187 25630 3800 1 8 . 1 1 52 52 CYS CB C 52 36.261 36.261 25.872 10.389 25630 3801 1 8 . 1 1 52 52 CYS H H 52 8.782 8.782 7.583 1.199 25630 3802 1 8 . 1 1 53 53 LEU N N 53 122.617 122.617 119.597 3.020 25630 3803 1 8 . 1 1 53 53 LEU HA H 53 3.901 3.901 4.104 -0.203 25630 3804 1 8 . 1 1 53 53 LEU C C 53 177.359 177.359 178.615 -1.256 25630 3805 1 8 . 1 1 53 53 LEU CA C 53 57.761 57.761 57.577 0.184 25630 3806 1 8 . 1 1 53 53 LEU CB C 53 41.156 41.156 41.945 -0.789 25630 3807 1 8 . 1 1 53 53 LEU H H 53 8.549 8.549 7.819 0.730 25630 3808 1 8 . 1 1 54 54 LYS N N 54 122.313 122.313 120.279 2.034 25630 3809 1 8 . 1 1 54 54 LYS HA H 54 4.000 4.000 3.882 0.118 25630 3810 1 8 . 1 1 54 54 LYS C C 54 178.656 178.656 178.858 -0.202 25630 3811 1 8 . 1 1 54 54 LYS CA C 54 59.520 59.520 59.369 0.151 25630 3812 1 8 . 1 1 54 54 LYS CB C 54 33.175 33.175 31.845 1.331 25630 3813 1 8 . 1 1 54 54 LYS H H 54 8.409 8.409 8.187 0.222 25630 3814 1 8 . 1 1 55 55 GLN N N 55 117.604 117.604 118.299 -0.695 25630 3815 1 8 . 1 1 55 55 GLN HA H 55 4.122 4.122 4.194 -0.072 25630 3816 1 8 . 1 1 55 55 GLN C C 55 179.074 179.074 178.282 0.792 25630 3817 1 8 . 1 1 55 55 GLN CA C 55 58.354 58.354 58.886 -0.532 25630 3818 1 8 . 1 1 55 55 GLN CB C 55 27.875 27.875 28.528 -0.653 25630 3819 1 8 . 1 1 55 55 GLN H H 55 7.735 7.735 8.015 -0.280 25630 3820 1 8 . 1 1 56 56 THR N N 56 118.464 118.464 116.725 1.739 25630 3821 1 8 . 1 1 56 56 THR HA H 56 3.884 3.884 3.980 -0.096 25630 3822 1 8 . 1 1 56 56 THR C C 56 175.389 175.389 176.344 -0.955 25630 3823 1 8 . 1 1 56 56 THR CA C 56 66.829 66.829 65.807 1.022 25630 3824 1 8 . 1 1 56 56 THR CB C 56 68.401 68.401 68.465 -0.064 25630 3825 1 8 . 1 1 56 56 THR H H 56 8.091 8.091 7.520 0.571 25630 3826 1 8 . 1 1 57 57 ALA N N 57 121.609 121.609 123.589 -1.980 25630 3827 1 8 . 1 1 57 57 ALA HA H 57 3.852 3.852 4.055 -0.203 25630 3828 1 8 . 1 1 57 57 ALA C C 57 178.061 178.061 179.393 -1.332 25630 3829 1 8 . 1 1 57 57 ALA CA C 57 54.457 54.457 55.066 -0.609 25630 3830 1 8 . 1 1 57 57 ALA CB C 57 16.448 16.448 18.261 -1.813 25630 3831 1 8 . 1 1 57 57 ALA H H 57 8.619 8.619 8.392 0.227 25630 3832 1 8 . 1 1 58 58 ASN N N 58 113.169 113.169 115.621 -2.452 25630 3833 1 8 . 1 1 58 58 ASN HA H 58 4.446 4.446 4.466 -0.020 25630 3834 1 8 . 1 1 58 58 ASN C C 58 174.706 174.706 176.338 -1.632 25630 3835 1 8 . 1 1 58 58 ASN CA C 58 54.894 54.894 55.794 -0.900 25630 3836 1 8 . 1 1 58 58 ASN CB C 58 39.606 39.606 38.625 0.981 25630 3837 1 8 . 1 1 58 58 ASN H H 58 7.695 7.695 7.805 -0.110 25630 3838 1 8 . 1 1 59 59 ALA N N 59 119.952 119.952 121.746 -1.794 25630 3839 1 8 . 1 1 59 59 ALA HA H 59 4.382 4.382 4.224 0.158 25630 3840 1 8 . 1 1 59 59 ALA C C 59 176.966 176.966 177.938 -0.972 25630 3841 1 8 . 1 1 59 59 ALA CA C 59 52.142 52.142 53.385 -1.243 25630 3842 1 8 . 1 1 59 59 ALA CB C 59 19.235 19.235 19.132 0.103 25630 3843 1 8 . 1 1 59 59 ALA H H 59 7.506 7.506 7.138 0.368 25630 3844 1 8 . 1 1 60 60 ILE N N 60 120.027 120.027 120.550 -0.523 25630 3845 1 8 . 1 1 60 60 ILE HA H 60 4.067 4.067 3.907 0.160 25630 3846 1 8 . 1 1 60 60 ILE C C 60 175.009 175.009 176.053 -1.044 25630 3847 1 8 . 1 1 60 60 ILE CA C 60 60.557 60.557 61.850 -1.293 25630 3848 1 8 . 1 1 60 60 ILE CB C 60 37.427 37.427 36.924 0.503 25630 3849 1 8 . 1 1 60 60 ILE H H 60 7.184 7.184 7.733 -0.549 25630 3850 1 8 . 1 1 61 61 ALA N N 61 130.970 130.970 130.501 0.469 25630 3851 1 8 . 1 1 61 61 ALA HA H 61 4.151 4.151 4.071 0.080 25630 3852 1 8 . 1 1 61 61 ALA C C 61 177.709 177.709 176.917 0.792 25630 3853 1 8 . 1 1 61 61 ALA CA C 61 53.789 53.789 54.229 -0.440 25630 3854 1 8 . 1 1 61 61 ALA CB C 61 18.322 18.322 18.998 -0.676 25630 3855 1 8 . 1 1 61 61 ALA H H 61 8.486 8.486 8.193 0.293 25630 3856 1 8 . 1 1 62 62 ASP N N 62 114.991 114.991 116.709 -1.718 25630 3857 1 8 . 1 1 62 62 ASP HA H 62 4.479 4.479 4.740 -0.261 25630 3858 1 8 . 1 1 62 62 ASP C C 62 174.354 174.354 174.575 -0.221 25630 3859 1 8 . 1 1 62 62 ASP CA C 62 52.461 52.461 53.077 -0.616 25630 3860 1 8 . 1 1 62 62 ASP CB C 62 37.900 37.900 40.806 -2.906 25630 3861 1 8 . 1 1 62 62 ASP H H 62 8.543 8.543 7.800 0.743 25630 3862 1 8 . 1 1 63 63 LEU N N 63 118.657 118.657 122.347 -3.690 25630 3863 1 8 . 1 1 63 63 LEU HA H 63 3.766 3.766 4.431 -0.665 25630 3864 1 8 . 1 1 63 63 LEU C C 63 175.646 175.646 174.966 0.680 25630 3865 1 8 . 1 1 63 63 LEU CA C 63 55.561 55.561 54.719 0.842 25630 3866 1 8 . 1 1 63 63 LEU CB C 63 42.180 42.180 42.596 -0.416 25630 3867 1 8 . 1 1 63 63 LEU H H 63 7.012 7.012 7.603 -0.591 25630 3868 1 8 . 1 1 64 64 ASN N N 64 125.123 125.123 126.223 -1.100 25630 3869 1 8 . 1 1 64 64 ASN HA H 64 4.711 4.711 4.764 -0.053 25630 3870 1 8 . 1 1 64 64 ASN C C 64 175.086 175.086 176.310 -1.224 25630 3871 1 8 . 1 1 64 64 ASN CA C 64 51.664 51.664 52.102 -0.438 25630 3872 1 8 . 1 1 64 64 ASN CB C 64 37.101 37.101 38.131 -1.030 25630 3873 1 8 . 1 1 64 64 ASN H H 64 8.947 8.947 8.166 0.781 25630 3874 1 8 . 1 1 65 65 LEU N N 65 126.541 126.541 125.350 1.191 25630 3875 1 8 . 1 1 65 65 LEU HA H 65 3.915 3.915 4.011 -0.096 25630 3876 1 8 . 1 1 65 65 LEU C C 65 179.923 179.923 177.898 2.025 25630 3877 1 8 . 1 1 65 65 LEU CA C 65 57.744 57.744 57.257 0.487 25630 3878 1 8 . 1 1 65 65 LEU CB C 65 40.932 40.932 41.116 -0.184 25630 3879 1 8 . 1 1 65 65 LEU H H 65 8.515 8.515 8.283 0.232 25630 3880 1 8 . 1 1 66 66 ASN N N 66 119.258 119.258 118.410 0.848 25630 3881 1 8 . 1 1 66 66 ASN HA H 66 4.515 4.515 4.633 -0.118 25630 3882 1 8 . 1 1 66 66 ASN C C 66 177.832 177.832 176.941 0.891 25630 3883 1 8 . 1 1 66 66 ASN CA C 66 55.848 55.848 56.017 -0.169 25630 3884 1 8 . 1 1 66 66 ASN CB C 66 37.670 37.670 37.972 -0.302 25630 3885 1 8 . 1 1 66 66 ASN H H 66 8.376 8.376 7.799 0.577 25630 3886 1 8 . 1 1 67 67 ALA N N 67 125.139 125.139 122.171 2.968 25630 3887 1 8 . 1 1 67 67 ALA HA H 67 4.144 4.144 4.236 -0.092 25630 3888 1 8 . 1 1 67 67 ALA C C 67 180.849 180.849 178.897 1.952 25630 3889 1 8 . 1 1 67 67 ALA CA C 67 53.639 53.639 54.148 -0.508 25630 3890 1 8 . 1 1 67 67 ALA CB C 67 17.340 17.340 17.988 -0.648 25630 3891 1 8 . 1 1 67 67 ALA H H 67 7.835 7.835 7.489 0.346 25630 3892 1 8 . 1 1 68 68 ALA N N 68 119.901 119.901 119.641 0.260 25630 3893 1 8 . 1 1 68 68 ALA HA H 68 3.959 3.959 4.286 -0.327 25630 3894 1 8 . 1 1 68 68 ALA C C 68 178.092 178.092 177.969 0.123 25630 3895 1 8 . 1 1 68 68 ALA CA C 68 54.893 54.893 53.993 0.900 25630 3896 1 8 . 1 1 68 68 ALA CB C 68 17.324 17.324 18.951 -1.627 25630 3897 1 8 . 1 1 68 68 ALA H H 68 8.187 8.187 8.481 -0.294 25630 3898 1 8 . 1 1 69 69 ALA N N 69 118.169 118.169 120.272 -2.103 25630 3899 1 8 . 1 1 69 69 ALA HA H 69 4.233 4.233 4.289 -0.056 25630 3900 1 8 . 1 1 69 69 ALA C C 69 179.953 179.953 179.252 0.701 25630 3901 1 8 . 1 1 69 69 ALA CA C 69 54.247 54.247 54.095 0.152 25630 3902 1 8 . 1 1 69 69 ALA CB C 69 17.943 17.943 19.591 -1.648 25630 3903 1 8 . 1 1 69 69 ALA H H 69 7.987 7.987 7.503 0.484 25630 3904 1 8 . 1 1 70 70 GLY N N 70 102.097 102.097 106.789 -4.692 25630 3905 1 8 . 1 1 70 70 GLY C C 70 173.713 173.713 175.631 -1.918 25630 3906 1 8 . 1 1 70 70 GLY CA C 70 44.759 44.759 46.333 -1.573 25630 3907 1 8 . 1 1 70 70 GLY H H 70 7.736 7.736 8.111 -0.375 25630 3908 1 8 . 1 1 71 71 LEU N N 71 121.365 121.365 123.411 -2.046 25630 3909 1 8 . 1 1 71 71 LEU HA H 71 4.384 4.384 4.195 0.189 25630 3910 1 8 . 1 1 71 71 LEU C C 71 173.650 173.650 175.799 -2.149 25630 3911 1 8 . 1 1 71 71 LEU CA C 71 59.180 59.180 59.398 -0.218 25630 3912 1 8 . 1 1 71 71 LEU CB C 71 39.573 39.573 39.926 -0.353 25630 3913 1 8 . 1 1 71 71 LEU H H 71 7.180 7.180 7.641 -0.461 25630 3914 1 8 . 1 1 72 72 PRO HA H 72 3.870 3.870 4.222 -0.352 25630 3915 1 8 . 1 1 72 72 PRO CA C 72 67.297 67.297 65.451 1.846 25630 3916 1 8 . 1 1 72 72 PRO CB C 72 30.585 30.585 30.792 -0.207 25630 3917 1 8 . 1 1 73 73 ALA N N 73 119.120 119.120 119.539 -0.419 25630 3918 1 8 . 1 1 73 73 ALA HA H 73 4.108 4.108 4.179 -0.071 25630 3919 1 8 . 1 1 73 73 ALA C C 73 181.784 181.784 178.979 2.805 25630 3920 1 8 . 1 1 73 73 ALA CA C 73 54.924 54.924 54.688 0.236 25630 3921 1 8 . 1 1 73 73 ALA CB C 73 17.718 17.718 18.302 -0.584 25630 3922 1 8 . 1 1 73 73 ALA H H 73 7.959 7.959 7.823 0.136 25630 3923 1 8 . 1 1 74 74 LYS N N 74 119.785 119.785 116.708 3.077 25630 3924 1 8 . 1 1 74 74 LYS HA H 74 4.059 4.059 4.367 -0.308 25630 3925 1 8 . 1 1 74 74 LYS C C 74 178.488 178.488 178.272 0.216 25630 3926 1 8 . 1 1 74 74 LYS CA C 74 58.725 58.725 57.436 1.289 25630 3927 1 8 . 1 1 74 74 LYS CB C 74 32.390 32.390 33.339 -0.949 25630 3928 1 8 . 1 1 74 74 LYS H H 74 8.259 8.259 7.515 0.744 25630 3929 1 8 . 1 1 75 75 CYS N N 75 114.446 114.446 116.761 -2.315 25630 3930 1 8 . 1 1 75 75 CYS HA H 75 4.759 4.759 4.072 0.687 25630 3931 1 8 . 1 1 75 75 CYS C C 75 174.445 174.445 176.242 -1.797 25630 3932 1 8 . 1 1 75 75 CYS CA C 75 52.907 52.907 62.398 -9.491 25630 3933 1 8 . 1 1 75 75 CYS CB C 75 35.891 35.891 26.927 8.964 25630 3934 1 8 . 1 1 75 75 CYS H H 75 7.807 7.807 8.474 -0.667 25630 3935 1 8 . 1 1 76 76 GLY N N 76 110.871 110.871 103.483 7.388 25630 3936 1 8 . 1 1 76 76 GLY C C 76 173.789 173.789 175.122 -1.333 25630 3937 1 8 . 1 1 76 76 GLY CA C 76 46.203 46.203 45.326 0.877 25630 3938 1 8 . 1 1 76 76 GLY H H 76 7.987 7.987 7.526 0.461 25630 3939 1 8 . 1 1 77 77 VAL N N 77 119.259 119.259 123.540 -4.281 25630 3940 1 8 . 1 1 77 77 VAL HA H 77 4.149 4.149 4.024 0.125 25630 3941 1 8 . 1 1 77 77 VAL C C 77 173.606 173.606 176.666 -3.060 25630 3942 1 8 . 1 1 77 77 VAL CA C 77 60.010 60.010 62.324 -2.314 25630 3943 1 8 . 1 1 77 77 VAL CB C 77 33.888 33.888 30.188 3.700 25630 3944 1 8 . 1 1 77 77 VAL H H 77 8.168 8.168 8.399 -0.231 25630 3945 1 8 . 1 1 78 78 ASN N N 78 125.739 125.739 119.253 6.486 25630 3946 1 8 . 1 1 78 78 ASN HA H 78 4.687 4.687 4.477 0.210 25630 3947 1 8 . 1 1 78 78 ASN C C 78 173.972 173.972 175.680 -1.708 25630 3948 1 8 . 1 1 78 78 ASN CA C 78 51.804 51.804 55.653 -3.849 25630 3949 1 8 . 1 1 78 78 ASN CB C 78 37.522 37.522 37.232 0.290 25630 3950 1 8 . 1 1 78 78 ASN H H 78 8.595 8.595 8.050 0.545 25630 3951 1 8 . 1 1 79 79 ILE N N 79 123.269 123.269 120.587 2.682 25630 3952 1 8 . 1 1 79 79 ILE HA H 79 4.407 4.407 3.929 0.478 25630 3953 1 8 . 1 1 79 79 ILE C C 79 175.707 175.707 175.249 0.458 25630 3954 1 8 . 1 1 79 79 ILE CA C 79 57.263 57.263 61.709 -4.447 25630 3955 1 8 . 1 1 79 79 ILE CB C 79 38.692 38.692 37.809 0.883 25630 3956 1 8 . 1 1 79 79 ILE H H 79 7.490 7.490 8.078 -0.588 25630 3957 1 8 . 1 1 80 80 PRO HA H 80 4.545 4.545 4.307 0.238 25630 3958 1 8 . 1 1 80 80 PRO C C 80 173.928 173.928 175.164 -1.236 25630 3959 1 8 . 1 1 80 80 PRO CA C 80 63.769 63.769 63.200 0.569 25630 3960 1 8 . 1 1 80 80 PRO CB C 80 30.333 30.333 30.424 -0.091 25630 3961 1 8 . 1 1 81 81 TYR N N 81 115.596 115.596 123.947 -8.351 25630 3962 1 8 . 1 1 81 81 TYR HA H 81 4.756 4.756 4.653 0.103 25630 3963 1 8 . 1 1 81 81 TYR C C 81 172.554 172.554 174.493 -1.939 25630 3964 1 8 . 1 1 81 81 TYR CA C 81 54.217 54.217 57.505 -3.288 25630 3965 1 8 . 1 1 81 81 TYR CB C 81 39.435 39.435 41.550 -2.115 25630 3966 1 8 . 1 1 81 81 TYR H H 81 6.566 6.566 8.033 -1.467 25630 3967 1 8 . 1 1 82 82 LYS N N 82 118.572 118.572 123.258 -4.686 25630 3968 1 8 . 1 1 82 82 LYS HA H 82 4.407 4.407 4.523 -0.116 25630 3969 1 8 . 1 1 82 82 LYS C C 82 176.795 176.795 175.897 0.898 25630 3970 1 8 . 1 1 82 82 LYS CA C 82 54.523 54.523 55.475 -0.952 25630 3971 1 8 . 1 1 82 82 LYS CB C 82 33.584 33.584 34.182 -0.598 25630 3972 1 8 . 1 1 82 82 LYS H H 82 8.170 8.170 8.237 -0.067 25630 3973 1 8 . 1 1 83 83 ILE N N 83 128.219 128.219 120.149 8.070 25630 3974 1 8 . 1 1 83 83 ILE HA H 83 4.059 4.059 4.160 -0.101 25630 3975 1 8 . 1 1 83 83 ILE CA C 83 61.386 61.386 60.937 0.449 25630 3976 1 8 . 1 1 83 83 ILE CB C 83 35.648 35.648 39.360 -3.712 25630 3977 1 8 . 1 1 83 83 ILE H H 83 9.374 9.374 8.659 0.715 25630 3978 1 8 . 1 1 84 84 SER N N 84 121.442 121.442 113.741 7.701 25630 3979 1 8 . 1 1 84 84 SER HA H 84 4.702 4.702 4.242 0.460 25630 3980 1 8 . 1 1 84 84 SER C C 84 176.398 176.398 172.958 3.440 25630 3981 1 8 . 1 1 84 84 SER CA C 84 54.826 54.826 59.259 -4.433 25630 3982 1 8 . 1 1 84 84 SER CB C 84 64.454 64.454 63.179 1.275 25630 3983 1 8 . 1 1 84 84 SER H H 84 6.689 6.689 8.235 -1.546 25630 3984 1 8 . 1 1 85 85 PRO HA H 85 4.563 4.563 4.408 0.155 25630 3985 1 8 . 1 1 85 85 PRO CA C 85 63.711 63.711 64.357 -0.646 25630 3986 1 8 . 1 1 85 85 PRO CB C 85 31.930 31.930 32.054 -0.124 25630 3987 1 8 . 1 1 86 86 SER N N 86 109.474 109.474 111.946 -2.472 25630 3988 1 8 . 1 1 86 86 SER HA H 86 4.638 4.638 4.725 -0.087 25630 3989 1 8 . 1 1 86 86 SER CA C 86 56.757 56.757 57.719 -0.962 25630 3990 1 8 . 1 1 86 86 SER CB C 86 63.491 63.491 63.077 0.414 25630 3991 1 8 . 1 1 86 86 SER H H 86 7.947 7.947 7.951 -0.004 25630 3992 1 8 . 1 1 87 87 THR HA H 87 3.809 3.809 4.263 -0.454 25630 3993 1 8 . 1 1 87 87 THR C C 87 171.688 171.688 173.982 -2.294 25630 3994 1 8 . 1 1 87 87 THR CA C 87 63.765 63.765 62.445 1.320 25630 3995 1 8 . 1 1 87 87 THR CB C 87 69.896 69.896 69.662 0.234 25630 3996 1 8 . 1 1 88 88 ASP N N 88 124.634 124.634 120.114 4.520 25630 3997 1 8 . 1 1 88 88 ASP HA H 88 4.789 4.789 4.803 -0.014 25630 3998 1 8 . 1 1 88 88 ASP CA C 88 51.746 51.746 53.247 -1.501 25630 3999 1 8 . 1 1 88 88 ASP CB C 88 38.906 38.906 43.600 -4.694 25630 4000 1 8 . 1 1 88 88 ASP H H 88 8.628 8.628 8.465 0.163 25630 4001 1 8 . 1 1 89 89 CYS N N 89 125.452 125.452 123.433 2.019 25630 4002 1 8 . 1 1 89 89 CYS HA H 89 4.425 4.425 4.156 0.269 25630 4003 1 8 . 1 1 89 89 CYS C C 89 175.346 175.346 176.445 -1.099 25630 4004 1 8 . 1 1 89 89 CYS CA C 89 54.899 54.899 59.164 -4.265 25630 4005 1 8 . 1 1 89 89 CYS CB C 89 36.960 36.960 26.105 10.855 25630 4006 1 8 . 1 1 89 89 CYS H H 89 8.647 8.647 8.747 -0.100 25630 4007 1 8 . 1 1 90 90 ASN N N 90 116.267 116.267 118.630 -2.363 25630 4008 1 8 . 1 1 90 90 ASN HA H 90 4.456 4.456 4.370 0.086 25630 4009 1 8 . 1 1 90 90 ASN C C 90 175.437 175.437 176.643 -1.206 25630 4010 1 8 . 1 1 90 90 ASN CA C 90 54.691 54.691 56.074 -1.383 25630 4011 1 8 . 1 1 90 90 ASN CB C 90 37.607 37.607 38.169 -0.562 25630 4012 1 8 . 1 1 90 90 ASN H H 90 8.348 8.348 8.836 -0.488 25630 4013 1 8 . 1 1 91 91 ARG N N 91 115.341 115.341 118.700 -3.359 25630 4014 1 8 . 1 1 91 91 ARG HA H 91 4.322 4.322 4.193 0.129 25630 4015 1 8 . 1 1 91 91 ARG C C 91 175.783 175.783 178.101 -2.318 25630 4016 1 8 . 1 1 91 91 ARG CA C 91 54.915 54.915 58.387 -3.472 25630 4017 1 8 . 1 1 91 91 ARG CB C 91 30.145 30.145 30.689 -0.544 25630 4018 1 8 . 1 1 91 91 ARG H H 91 7.133 7.133 7.451 -0.318 25630 4019 1 8 . 1 1 92 92 VAL N N 92 121.309 121.309 120.394 0.915 25630 4020 1 8 . 1 1 92 92 VAL HA H 92 3.949 3.949 3.942 0.007 25630 4021 1 8 . 1 1 92 92 VAL C C 92 174.084 174.084 174.917 -0.833 25630 4022 1 8 . 1 1 92 92 VAL CA C 92 62.875 62.875 61.629 1.246 25630 4023 1 8 . 1 1 92 92 VAL CB C 92 32.316 32.316 28.910 3.405 25630 4024 1 8 . 1 1 92 92 VAL H H 92 6.990 6.990 8.094 -1.104 25630 4025 1 9 . 1 1 2 2 THR N N 2 113.980 113.980 112.813 1.167 25630 4026 1 9 . 1 1 2 2 THR HA H 2 4.807 4.807 4.664 0.143 25630 4027 1 9 . 1 1 2 2 THR C C 2 175.361 175.361 175.623 -0.262 25630 4028 1 9 . 1 1 2 2 THR CA C 2 58.659 58.659 60.154 -1.495 25630 4029 1 9 . 1 1 2 2 THR CB C 2 71.525 71.525 71.426 0.099 25630 4030 1 9 . 1 1 2 2 THR H H 2 8.298 8.298 7.970 0.328 25630 4031 1 9 . 1 1 3 3 CYS N N 3 116.929 116.929 123.170 -6.241 25630 4032 1 9 . 1 1 3 3 CYS HA H 3 4.720 4.720 4.155 0.565 25630 4033 1 9 . 1 1 3 3 CYS CA C 3 54.110 54.110 61.695 -7.585 25630 4034 1 9 . 1 1 3 3 CYS CB C 3 31.416 31.416 26.504 4.912 25630 4035 1 9 . 1 1 3 3 CYS H H 3 9.330 9.330 9.120 0.210 25630 4036 1 9 . 1 1 4 4 GLY N N 4 110.525 110.525 108.185 2.340 25630 4037 1 9 . 1 1 4 4 GLY CA C 4 46.883 46.883 47.274 -0.391 25630 4038 1 9 . 1 1 4 4 GLY H H 4 8.739 8.739 7.834 0.905 25630 4039 1 9 . 1 1 5 5 GLN N N 5 121.402 121.402 121.265 0.137 25630 4040 1 9 . 1 1 5 5 GLN HA H 5 4.122 4.122 4.131 -0.009 25630 4041 1 9 . 1 1 5 5 GLN C C 5 178.604 178.604 178.765 -0.161 25630 4042 1 9 . 1 1 5 5 GLN CA C 5 58.066 58.066 57.914 0.152 25630 4043 1 9 . 1 1 5 5 GLN CB C 5 28.797 28.797 28.207 0.590 25630 4044 1 9 . 1 1 5 5 GLN H H 5 7.651 7.651 7.732 -0.081 25630 4045 1 9 . 1 1 6 6 VAL N N 6 120.864 120.864 120.406 0.458 25630 4046 1 9 . 1 1 6 6 VAL HA H 6 3.622 3.622 3.516 0.106 25630 4047 1 9 . 1 1 6 6 VAL C C 6 176.268 176.268 178.057 -1.789 25630 4048 1 9 . 1 1 6 6 VAL CA C 6 65.939 65.939 66.752 -0.813 25630 4049 1 9 . 1 1 6 6 VAL CB C 6 31.034 31.034 31.548 -0.514 25630 4050 1 9 . 1 1 6 6 VAL H H 6 7.566 7.566 7.887 -0.321 25630 4051 1 9 . 1 1 7 7 THR N N 7 113.871 113.871 114.289 -0.418 25630 4052 1 9 . 1 1 7 7 THR HA H 7 3.697 3.697 3.956 -0.259 25630 4053 1 9 . 1 1 7 7 THR CA C 7 65.959 65.959 66.449 -0.490 25630 4054 1 9 . 1 1 7 7 THR CB C 7 68.108 68.108 68.553 -0.445 25630 4055 1 9 . 1 1 7 7 THR H H 7 8.835 8.835 7.676 1.159 25630 4056 1 9 . 1 1 8 8 GLY N N 8 108.517 108.517 108.767 -0.250 25630 4057 1 9 . 1 1 8 8 GLY C C 8 175.828 175.828 175.154 0.674 25630 4058 1 9 . 1 1 8 8 GLY CA C 8 46.675 46.675 46.417 0.258 25630 4059 1 9 . 1 1 8 8 GLY H H 8 7.900 7.900 7.633 0.267 25630 4060 1 9 . 1 1 9 9 ALA N N 9 123.446 123.446 123.071 0.375 25630 4061 1 9 . 1 1 9 9 ALA HA H 9 4.160 4.160 4.424 -0.264 25630 4062 1 9 . 1 1 9 9 ALA C C 9 177.583 177.583 178.009 -0.426 25630 4063 1 9 . 1 1 9 9 ALA CA C 9 54.053 54.053 53.408 0.645 25630 4064 1 9 . 1 1 9 9 ALA CB C 9 17.914 17.914 19.566 -1.652 25630 4065 1 9 . 1 1 9 9 ALA H H 9 7.483 7.483 8.217 -0.734 25630 4066 1 9 . 1 1 10 10 LEU N N 10 112.012 112.012 118.026 -6.014 25630 4067 1 9 . 1 1 10 10 LEU HA H 10 4.156 4.156 4.527 -0.371 25630 4068 1 9 . 1 1 10 10 LEU C C 10 177.573 177.573 177.293 0.280 25630 4069 1 9 . 1 1 10 10 LEU CA C 10 53.384 53.384 54.178 -0.794 25630 4070 1 9 . 1 1 10 10 LEU CB C 10 42.102 42.102 41.947 0.155 25630 4071 1 9 . 1 1 10 10 LEU H H 10 7.279 7.279 7.300 -0.021 25630 4072 1 9 . 1 1 11 11 ALA N N 11 124.705 124.705 124.911 -0.206 25630 4073 1 9 . 1 1 11 11 ALA HA H 11 4.251 4.251 4.158 0.093 25630 4074 1 9 . 1 1 11 11 ALA C C 11 176.754 176.754 176.660 0.094 25630 4075 1 9 . 1 1 11 11 ALA CA C 11 56.645 56.645 56.471 0.174 25630 4076 1 9 . 1 1 11 11 ALA CB C 11 15.503 15.503 16.454 -0.951 25630 4077 1 9 . 1 1 11 11 ALA H H 11 7.517 7.517 8.063 -0.546 25630 4078 1 9 . 1 1 12 12 PRO HA H 12 4.663 4.663 4.483 0.180 25630 4079 1 9 . 1 1 12 12 PRO CA C 12 64.423 64.423 64.105 0.318 25630 4080 1 9 . 1 1 12 12 PRO CB C 12 31.214 31.214 31.027 0.187 25630 4081 1 9 . 1 1 13 13 CYS N N 13 114.976 114.976 116.712 -1.736 25630 4082 1 9 . 1 1 13 13 CYS HA H 13 4.618 4.618 4.585 0.033 25630 4083 1 9 . 1 1 13 13 CYS C C 13 174.583 174.583 176.522 -1.939 25630 4084 1 9 . 1 1 13 13 CYS CA C 13 53.992 53.992 59.821 -5.829 25630 4085 1 9 . 1 1 13 13 CYS CB C 13 42.898 42.898 28.603 14.295 25630 4086 1 9 . 1 1 13 13 CYS H H 13 8.801 8.801 7.575 1.226 25630 4087 1 9 . 1 1 14 14 LEU N N 14 121.119 121.119 122.024 -0.905 25630 4088 1 9 . 1 1 14 14 LEU HA H 14 3.817 3.817 3.835 -0.018 25630 4089 1 9 . 1 1 14 14 LEU C C 14 177.057 177.057 178.843 -1.786 25630 4090 1 9 . 1 1 14 14 LEU CA C 14 59.303 59.303 58.762 0.541 25630 4091 1 9 . 1 1 14 14 LEU CB C 14 40.871 40.871 41.330 -0.459 25630 4092 1 9 . 1 1 14 14 LEU H H 14 7.665 7.665 8.209 -0.544 25630 4093 1 9 . 1 1 15 15 GLY N N 15 105.845 105.845 105.838 0.007 25630 4094 1 9 . 1 1 15 15 GLY C C 15 176.947 176.947 175.918 1.029 25630 4095 1 9 . 1 1 15 15 GLY CA C 15 46.859 46.859 47.412 -0.553 25630 4096 1 9 . 1 1 15 15 GLY H H 15 8.322 8.322 8.256 0.066 25630 4097 1 9 . 1 1 16 16 TYR N N 16 125.900 125.900 121.705 4.195 25630 4098 1 9 . 1 1 16 16 TYR HA H 16 4.004 4.004 4.265 -0.261 25630 4099 1 9 . 1 1 16 16 TYR C C 16 177.192 177.192 176.622 0.570 25630 4100 1 9 . 1 1 16 16 TYR CA C 16 61.361 61.361 60.655 0.706 25630 4101 1 9 . 1 1 16 16 TYR CB C 16 37.906 37.906 38.448 -0.542 25630 4102 1 9 . 1 1 16 16 TYR H H 16 8.650 8.650 7.435 1.215 25630 4103 1 9 . 1 1 17 17 LEU N N 17 117.280 117.280 116.017 1.263 25630 4104 1 9 . 1 1 17 17 LEU HA H 17 3.792 3.792 3.975 -0.183 25630 4105 1 9 . 1 1 17 17 LEU C C 17 175.010 175.010 179.423 -4.413 25630 4106 1 9 . 1 1 17 17 LEU CA C 17 56.221 56.221 56.967 -0.746 25630 4107 1 9 . 1 1 17 17 LEU CB C 17 41.476 41.476 41.588 -0.112 25630 4108 1 9 . 1 1 17 17 LEU H H 17 8.419 8.419 7.746 0.673 25630 4109 1 9 . 1 1 18 18 ARG N N 18 115.416 115.416 115.957 -0.541 25630 4110 1 9 . 1 1 18 18 ARG HA H 18 4.579 4.579 4.570 0.009 25630 4111 1 9 . 1 1 18 18 ARG C C 18 175.874 175.874 176.597 -0.723 25630 4112 1 9 . 1 1 18 18 ARG CA C 18 55.322 55.322 55.961 -0.639 25630 4113 1 9 . 1 1 18 18 ARG CB C 18 30.375 30.375 29.708 0.667 25630 4114 1 9 . 1 1 18 18 ARG H H 18 7.212 7.212 7.972 -0.760 25630 4115 1 9 . 1 1 19 19 THR N N 19 117.095 117.095 115.626 1.469 25630 4116 1 9 . 1 1 19 19 THR HA H 19 4.296 4.296 4.262 0.034 25630 4117 1 9 . 1 1 19 19 THR C C 19 173.038 173.038 175.339 -2.301 25630 4118 1 9 . 1 1 19 19 THR CA C 19 62.270 62.270 61.899 0.371 25630 4119 1 9 . 1 1 19 19 THR CB C 19 69.436 69.436 69.820 -0.384 25630 4120 1 9 . 1 1 19 19 THR H H 19 7.462 7.462 7.164 0.298 25630 4121 1 9 . 1 1 20 20 ALA N N 20 128.239 128.239 124.134 4.105 25630 4122 1 9 . 1 1 20 20 ALA HA H 20 4.151 4.151 4.011 0.140 25630 4123 1 9 . 1 1 20 20 ALA C C 20 177.148 177.148 177.716 -0.568 25630 4124 1 9 . 1 1 20 20 ALA CA C 20 52.378 52.378 54.064 -1.686 25630 4125 1 9 . 1 1 20 20 ALA CB C 20 18.697 18.697 18.607 0.090 25630 4126 1 9 . 1 1 20 20 ALA H H 20 8.607 8.607 8.614 -0.007 25630 4127 1 9 . 1 1 21 21 GLY N N 21 106.473 106.473 106.031 0.442 25630 4128 1 9 . 1 1 21 21 GLY C C 21 173.046 173.046 173.628 -0.582 25630 4129 1 9 . 1 1 21 21 GLY CA C 21 44.516 44.516 44.507 0.009 25630 4130 1 9 . 1 1 21 21 GLY H H 21 8.207 8.207 8.029 0.178 25630 4131 1 9 . 1 1 22 22 SER N N 22 115.592 115.592 119.179 -3.587 25630 4132 1 9 . 1 1 22 22 SER HA H 22 4.684 4.684 4.568 0.116 25630 4133 1 9 . 1 1 22 22 SER CA C 22 56.763 56.763 58.635 -1.872 25630 4134 1 9 . 1 1 22 22 SER CB C 22 62.875 62.875 62.975 -0.100 25630 4135 1 9 . 1 1 22 22 SER H H 22 8.177 8.177 8.303 -0.126 25630 4136 1 9 . 1 1 23 23 VAL N N 23 120.568 120.568 121.814 -1.246 25630 4137 1 9 . 1 1 23 23 VAL HA H 23 4.817 4.817 4.463 0.354 25630 4138 1 9 . 1 1 23 23 VAL CA C 23 58.256 58.256 59.098 -0.842 25630 4139 1 9 . 1 1 23 23 VAL CB C 23 32.614 32.614 31.759 0.855 25630 4140 1 9 . 1 1 23 23 VAL H H 23 8.110 8.110 7.949 0.161 25630 4141 1 9 . 1 1 24 24 PRO HA H 24 4.400 4.400 4.614 -0.214 25630 4142 1 9 . 1 1 24 24 PRO CA C 24 62.104 62.104 62.993 -0.889 25630 4143 1 9 . 1 1 24 24 PRO CB C 24 31.625 31.625 32.194 -0.569 25630 4144 1 9 . 1 1 25 25 VAL N N 25 122.444 122.444 123.693 -1.249 25630 4145 1 9 . 1 1 25 25 VAL HA H 25 3.666 3.666 3.463 0.203 25630 4146 1 9 . 1 1 25 25 VAL C C 25 174.735 174.735 174.906 -0.171 25630 4147 1 9 . 1 1 25 25 VAL CA C 25 58.474 58.474 61.426 -2.953 25630 4148 1 9 . 1 1 25 25 VAL CB C 25 32.625 32.625 32.265 0.360 25630 4149 1 9 . 1 1 25 25 VAL H H 25 8.187 8.187 8.228 -0.041 25630 4150 1 9 . 1 1 26 26 PRO HA H 26 4.437 4.437 4.426 0.011 25630 4151 1 9 . 1 1 26 26 PRO CA C 26 62.431 62.431 62.449 -0.018 25630 4152 1 9 . 1 1 26 26 PRO CB C 26 32.069 32.069 32.120 -0.051 25630 4153 1 9 . 1 1 27 27 LEU N N 27 128.747 128.747 127.904 0.843 25630 4154 1 9 . 1 1 27 27 LEU HA H 27 3.982 3.982 4.032 -0.050 25630 4155 1 9 . 1 1 27 27 LEU C C 27 178.619 178.619 178.363 0.256 25630 4156 1 9 . 1 1 27 27 LEU CA C 27 58.471 58.471 58.794 -0.323 25630 4157 1 9 . 1 1 27 27 LEU CB C 27 41.085 41.085 41.123 -0.038 25630 4158 1 9 . 1 1 27 27 LEU H H 27 8.871 8.871 8.585 0.286 25630 4159 1 9 . 1 1 28 28 THR N N 28 107.667 107.667 112.071 -4.404 25630 4160 1 9 . 1 1 28 28 THR HA H 28 3.962 3.962 3.986 -0.024 25630 4161 1 9 . 1 1 28 28 THR C C 28 177.771 177.771 176.470 1.301 25630 4162 1 9 . 1 1 28 28 THR CA C 28 64.160 64.160 65.424 -1.264 25630 4163 1 9 . 1 1 28 28 THR CB C 28 67.597 67.597 67.440 0.157 25630 4164 1 9 . 1 1 28 28 THR H H 28 8.219 8.219 8.438 -0.218 25630 4165 1 9 . 1 1 29 29 CYS N N 29 118.564 118.564 120.310 -1.746 25630 4166 1 9 . 1 1 29 29 CYS HA H 29 4.471 4.471 4.333 0.138 25630 4167 1 9 . 1 1 29 29 CYS C C 29 175.191 175.191 176.910 -1.719 25630 4168 1 9 . 1 1 29 29 CYS CA C 29 58.136 58.136 60.472 -2.336 25630 4169 1 9 . 1 1 29 29 CYS CB C 29 37.170 37.170 25.768 11.402 25630 4170 1 9 . 1 1 29 29 CYS H H 29 7.177 7.177 7.862 -0.685 25630 4171 1 9 . 1 1 30 30 CYS N N 30 117.371 117.371 121.058 -3.687 25630 4172 1 9 . 1 1 30 30 CYS HA H 30 4.656 4.656 4.038 0.618 25630 4173 1 9 . 1 1 30 30 CYS C C 30 177.101 177.101 177.370 -0.269 25630 4174 1 9 . 1 1 30 30 CYS CA C 30 54.440 54.440 63.432 -8.992 25630 4175 1 9 . 1 1 30 30 CYS CB C 30 31.989 31.989 25.603 6.386 25630 4176 1 9 . 1 1 30 30 CYS H H 30 7.522 7.522 8.158 -0.636 25630 4177 1 9 . 1 1 31 31 ASN N N 31 119.039 119.039 118.899 0.140 25630 4178 1 9 . 1 1 31 31 ASN HA H 31 4.468 4.468 4.393 0.075 25630 4179 1 9 . 1 1 31 31 ASN C C 31 178.119 178.119 177.712 0.407 25630 4180 1 9 . 1 1 31 31 ASN CA C 31 55.778 55.778 56.541 -0.763 25630 4181 1 9 . 1 1 31 31 ASN CB C 31 36.964 36.964 37.653 -0.689 25630 4182 1 9 . 1 1 31 31 ASN H H 31 8.703 8.703 8.127 0.576 25630 4183 1 9 . 1 1 32 32 GLY N N 32 111.440 111.440 108.171 3.269 25630 4184 1 9 . 1 1 32 32 GLY C C 32 175.147 175.147 176.192 -1.045 25630 4185 1 9 . 1 1 32 32 GLY CA C 32 47.058 47.058 46.709 0.349 25630 4186 1 9 . 1 1 32 32 GLY H H 32 7.744 7.744 7.687 0.057 25630 4187 1 9 . 1 1 33 33 VAL N N 33 122.106 122.106 122.408 -0.302 25630 4188 1 9 . 1 1 33 33 VAL HA H 33 3.470 3.470 3.594 -0.124 25630 4189 1 9 . 1 1 33 33 VAL C C 33 177.344 177.344 177.787 -0.443 25630 4190 1 9 . 1 1 33 33 VAL CA C 33 66.135 66.135 66.596 -0.461 25630 4191 1 9 . 1 1 33 33 VAL CB C 33 31.530 31.530 31.217 0.313 25630 4192 1 9 . 1 1 33 33 VAL H H 33 8.139 8.139 7.771 0.368 25630 4193 1 9 . 1 1 34 34 ARG N N 34 119.957 119.957 120.407 -0.450 25630 4194 1 9 . 1 1 34 34 ARG HA H 34 3.869 3.869 3.937 -0.068 25630 4195 1 9 . 1 1 34 34 ARG C C 34 178.641 178.641 178.698 -0.057 25630 4196 1 9 . 1 1 34 34 ARG CA C 34 59.563 59.563 59.873 -0.310 25630 4197 1 9 . 1 1 34 34 ARG CB C 34 29.978 29.978 29.891 0.087 25630 4198 1 9 . 1 1 34 34 ARG H H 34 8.452 8.452 8.694 -0.242 25630 4199 1 9 . 1 1 35 35 GLY N N 35 106.891 106.891 106.723 0.168 25630 4200 1 9 . 1 1 35 35 GLY C C 35 176.413 176.413 176.346 0.067 25630 4201 1 9 . 1 1 35 35 GLY CA C 35 46.653 46.653 46.822 -0.169 25630 4202 1 9 . 1 1 35 35 GLY H H 35 8.062 8.062 7.743 0.319 25630 4203 1 9 . 1 1 36 36 LEU N N 36 123.784 123.784 122.976 0.808 25630 4204 1 9 . 1 1 36 36 LEU HA H 36 4.077 4.077 3.910 0.167 25630 4205 1 9 . 1 1 36 36 LEU C C 36 177.848 177.848 178.209 -0.361 25630 4206 1 9 . 1 1 36 36 LEU CA C 36 57.160 57.160 57.693 -0.533 25630 4207 1 9 . 1 1 36 36 LEU CB C 36 41.162 41.162 41.702 -0.540 25630 4208 1 9 . 1 1 36 36 LEU H H 36 8.119 8.119 7.785 0.334 25630 4209 1 9 . 1 1 37 37 ASN N N 37 116.442 116.442 117.380 -0.938 25630 4210 1 9 . 1 1 37 37 ASN HA H 37 4.507 4.507 4.321 0.186 25630 4211 1 9 . 1 1 37 37 ASN C C 37 176.799 176.799 177.199 -0.400 25630 4212 1 9 . 1 1 37 37 ASN CA C 37 55.501 55.501 56.432 -0.931 25630 4213 1 9 . 1 1 37 37 ASN CB C 37 38.980 38.980 38.547 0.433 25630 4214 1 9 . 1 1 37 37 ASN H H 37 7.847 7.847 8.040 -0.193 25630 4215 1 9 . 1 1 38 38 ASN N N 38 115.049 115.049 118.006 -2.957 25630 4216 1 9 . 1 1 38 38 ASN HA H 38 4.421 4.421 4.735 -0.314 25630 4217 1 9 . 1 1 38 38 ASN C C 38 175.620 175.620 177.528 -1.908 25630 4218 1 9 . 1 1 38 38 ASN CA C 38 54.393 54.393 54.919 -0.526 25630 4219 1 9 . 1 1 38 38 ASN CB C 38 38.079 38.079 38.679 -0.600 25630 4220 1 9 . 1 1 38 38 ASN H H 38 7.982 7.982 7.494 0.488 25630 4221 1 9 . 1 1 39 39 ALA N N 39 119.826 119.826 123.220 -3.394 25630 4222 1 9 . 1 1 39 39 ALA HA H 39 4.269 4.269 4.189 0.080 25630 4223 1 9 . 1 1 39 39 ALA C C 39 176.587 176.587 178.837 -2.250 25630 4224 1 9 . 1 1 39 39 ALA CA C 39 52.527 52.527 54.621 -2.094 25630 4225 1 9 . 1 1 39 39 ALA CB C 39 18.507 18.507 18.484 0.023 25630 4226 1 9 . 1 1 39 39 ALA H H 39 7.624 7.624 8.165 -0.541 25630 4227 1 9 . 1 1 40 40 ALA N N 40 120.950 120.950 119.610 1.340 25630 4228 1 9 . 1 1 40 40 ALA HA H 40 4.642 4.642 4.315 0.327 25630 4229 1 9 . 1 1 40 40 ALA C C 40 174.615 174.615 177.619 -3.004 25630 4230 1 9 . 1 1 40 40 ALA CA C 40 50.169 50.169 51.073 -0.904 25630 4231 1 9 . 1 1 40 40 ALA CB C 40 17.604 17.604 18.209 -0.605 25630 4232 1 9 . 1 1 40 40 ALA H H 40 7.290 7.290 7.921 -0.631 25630 4233 1 9 . 1 1 41 41 ARG N N 41 122.802 122.802 116.306 6.496 25630 4234 1 9 . 1 1 41 41 ARG HA H 41 4.478 4.478 3.978 0.500 25630 4235 1 9 . 1 1 41 41 ARG C C 41 176.177 176.177 176.515 -0.338 25630 4236 1 9 . 1 1 41 41 ARG CA C 41 56.365 56.365 58.192 -1.827 25630 4237 1 9 . 1 1 41 41 ARG CB C 41 31.618 31.618 29.289 2.329 25630 4238 1 9 . 1 1 41 41 ARG H H 41 9.046 9.046 7.555 1.491 25630 4239 1 9 . 1 1 42 42 THR N N 42 108.733 108.733 111.371 -2.638 25630 4240 1 9 . 1 1 42 42 THR HA H 42 4.740 4.740 4.436 0.304 25630 4241 1 9 . 1 1 42 42 THR C C 42 174.689 174.689 175.591 -0.902 25630 4242 1 9 . 1 1 42 42 THR CA C 42 58.871 58.871 61.074 -2.203 25630 4243 1 9 . 1 1 42 42 THR CB C 42 72.072 72.072 71.040 1.032 25630 4244 1 9 . 1 1 42 42 THR H H 42 7.739 7.739 7.711 0.028 25630 4245 1 9 . 1 1 43 43 THR N N 43 119.812 119.812 121.920 -2.108 25630 4246 1 9 . 1 1 43 43 THR HA H 43 3.847 3.847 3.978 -0.131 25630 4247 1 9 . 1 1 43 43 THR C C 43 175.620 175.620 176.601 -0.981 25630 4248 1 9 . 1 1 43 43 THR CA C 43 67.260 67.260 66.688 0.572 25630 4249 1 9 . 1 1 43 43 THR CB C 43 68.592 68.592 68.807 -0.215 25630 4250 1 9 . 1 1 43 43 THR H H 43 8.836 8.836 8.610 0.226 25630 4251 1 9 . 1 1 44 44 ILE N N 44 118.906 118.906 121.853 -2.947 25630 4252 1 9 . 1 1 44 44 ILE HA H 44 3.757 3.757 3.712 0.045 25630 4253 1 9 . 1 1 44 44 ILE C C 44 178.108 178.108 177.926 0.182 25630 4254 1 9 . 1 1 44 44 ILE CA C 44 63.926 63.926 63.813 0.113 25630 4255 1 9 . 1 1 44 44 ILE CB C 44 37.142 37.142 37.264 -0.122 25630 4256 1 9 . 1 1 44 44 ILE H H 44 8.101 8.101 7.973 0.128 25630 4257 1 9 . 1 1 45 45 ASP N N 45 122.298 122.298 119.689 2.609 25630 4258 1 9 . 1 1 45 45 ASP HA H 45 4.425 4.425 4.336 0.089 25630 4259 1 9 . 1 1 45 45 ASP C C 45 177.785 177.785 179.017 -1.232 25630 4260 1 9 . 1 1 45 45 ASP CA C 45 57.295 57.295 57.587 -0.292 25630 4261 1 9 . 1 1 45 45 ASP CB C 45 40.548 40.548 40.032 0.516 25630 4262 1 9 . 1 1 45 45 ASP H H 45 7.680 7.680 8.225 -0.545 25630 4263 1 9 . 1 1 46 46 ARG N N 46 120.337 120.337 119.253 1.084 25630 4264 1 9 . 1 1 46 46 ARG HA H 46 3.876 3.876 4.071 -0.195 25630 4265 1 9 . 1 1 46 46 ARG C C 46 177.807 177.807 178.571 -0.764 25630 4266 1 9 . 1 1 46 46 ARG CA C 46 60.277 60.277 58.457 1.820 25630 4267 1 9 . 1 1 46 46 ARG CB C 46 30.939 30.939 29.928 1.010 25630 4268 1 9 . 1 1 46 46 ARG H H 46 8.515 8.515 7.883 0.632 25630 4269 1 9 . 1 1 47 47 ARG N N 47 119.948 119.948 117.915 2.033 25630 4270 1 9 . 1 1 47 47 ARG HA H 47 3.665 3.665 4.080 -0.415 25630 4271 1 9 . 1 1 47 47 ARG C C 47 178.290 178.290 178.996 -0.706 25630 4272 1 9 . 1 1 47 47 ARG CA C 47 60.686 60.686 59.465 1.221 25630 4273 1 9 . 1 1 47 47 ARG CB C 47 29.376 29.376 29.386 -0.010 25630 4274 1 9 . 1 1 47 47 ARG H H 47 8.514 8.514 8.323 0.191 25630 4275 1 9 . 1 1 48 48 THR N N 48 117.694 117.694 116.910 0.784 25630 4276 1 9 . 1 1 48 48 THR HA H 48 3.942 3.942 3.999 -0.057 25630 4277 1 9 . 1 1 48 48 THR C C 48 175.681 175.681 176.259 -0.578 25630 4278 1 9 . 1 1 48 48 THR CA C 48 66.372 66.372 66.531 -0.159 25630 4279 1 9 . 1 1 48 48 THR CB C 48 68.274 68.274 68.430 -0.155 25630 4280 1 9 . 1 1 48 48 THR H H 48 8.269 8.269 8.400 -0.131 25630 4281 1 9 . 1 1 49 49 ALA N N 49 124.040 124.040 123.831 0.209 25630 4282 1 9 . 1 1 49 49 ALA HA H 49 3.654 3.654 4.179 -0.525 25630 4283 1 9 . 1 1 49 49 ALA C C 49 177.390 177.390 178.809 -1.419 25630 4284 1 9 . 1 1 49 49 ALA CA C 49 55.805 55.805 55.127 0.678 25630 4285 1 9 . 1 1 49 49 ALA CB C 49 16.984 16.984 18.113 -1.129 25630 4286 1 9 . 1 1 49 49 ALA H H 49 8.550 8.550 7.726 0.824 25630 4287 1 9 . 1 1 50 50 CYS N N 50 116.329 116.329 118.815 -2.486 25630 4288 1 9 . 1 1 50 50 CYS HA H 50 3.545 3.545 3.922 -0.377 25630 4289 1 9 . 1 1 50 50 CYS C C 50 175.828 175.828 177.077 -1.249 25630 4290 1 9 . 1 1 50 50 CYS CA C 50 60.131 60.131 63.169 -3.038 25630 4291 1 9 . 1 1 50 50 CYS CB C 50 34.259 34.259 25.867 8.392 25630 4292 1 9 . 1 1 50 50 CYS H H 50 7.989 7.989 8.510 -0.521 25630 4293 1 9 . 1 1 51 51 ASN N N 51 120.444 120.444 117.762 2.682 25630 4294 1 9 . 1 1 51 51 ASN HA H 51 4.378 4.378 4.378 -0.000 25630 4295 1 9 . 1 1 51 51 ASN C C 51 178.199 178.199 177.323 0.876 25630 4296 1 9 . 1 1 51 51 ASN CA C 51 56.565 56.565 57.117 -0.552 25630 4297 1 9 . 1 1 51 51 ASN CB C 51 38.593 38.593 38.110 0.483 25630 4298 1 9 . 1 1 51 51 ASN H H 51 8.323 8.323 8.018 0.305 25630 4299 1 9 . 1 1 52 52 CYS N N 52 119.488 119.488 120.221 -0.733 25630 4300 1 9 . 1 1 52 52 CYS HA H 52 4.373 4.373 4.061 0.312 25630 4301 1 9 . 1 1 52 52 CYS C C 52 177.254 177.254 177.401 -0.147 25630 4302 1 9 . 1 1 52 52 CYS CA C 52 57.075 57.075 63.046 -5.971 25630 4303 1 9 . 1 1 52 52 CYS CB C 52 36.261 36.261 26.367 9.894 25630 4304 1 9 . 1 1 52 52 CYS H H 52 8.782 8.782 7.667 1.115 25630 4305 1 9 . 1 1 53 53 LEU N N 53 122.617 122.617 119.676 2.941 25630 4306 1 9 . 1 1 53 53 LEU HA H 53 3.901 3.901 3.950 -0.050 25630 4307 1 9 . 1 1 53 53 LEU C C 53 177.359 177.359 179.113 -1.754 25630 4308 1 9 . 1 1 53 53 LEU CA C 53 57.761 57.761 57.490 0.271 25630 4309 1 9 . 1 1 53 53 LEU CB C 53 41.156 41.156 41.863 -0.707 25630 4310 1 9 . 1 1 53 53 LEU H H 53 8.549 8.549 8.256 0.293 25630 4311 1 9 . 1 1 54 54 LYS N N 54 122.313 122.313 118.474 3.839 25630 4312 1 9 . 1 1 54 54 LYS HA H 54 4.000 4.000 3.877 0.123 25630 4313 1 9 . 1 1 54 54 LYS C C 54 178.656 178.656 178.207 0.449 25630 4314 1 9 . 1 1 54 54 LYS CA C 54 59.520 59.520 58.466 1.054 25630 4315 1 9 . 1 1 54 54 LYS CB C 54 33.175 33.175 31.912 1.263 25630 4316 1 9 . 1 1 54 54 LYS H H 54 8.409 8.409 8.283 0.126 25630 4317 1 9 . 1 1 55 55 GLN N N 55 117.604 117.604 115.489 2.115 25630 4318 1 9 . 1 1 55 55 GLN HA H 55 4.122 4.122 4.252 -0.130 25630 4319 1 9 . 1 1 55 55 GLN C C 55 179.074 179.074 178.069 1.005 25630 4320 1 9 . 1 1 55 55 GLN CA C 55 58.354 58.354 58.350 0.004 25630 4321 1 9 . 1 1 55 55 GLN CB C 55 27.875 27.875 29.147 -1.272 25630 4322 1 9 . 1 1 55 55 GLN H H 55 7.735 7.735 8.118 -0.383 25630 4323 1 9 . 1 1 56 56 THR N N 56 118.464 118.464 117.116 1.348 25630 4324 1 9 . 1 1 56 56 THR HA H 56 3.884 3.884 4.044 -0.160 25630 4325 1 9 . 1 1 56 56 THR C C 56 175.389 175.389 176.002 -0.613 25630 4326 1 9 . 1 1 56 56 THR CA C 56 66.829 66.829 65.676 1.153 25630 4327 1 9 . 1 1 56 56 THR CB C 56 68.401 68.401 68.988 -0.587 25630 4328 1 9 . 1 1 56 56 THR H H 56 8.091 8.091 7.906 0.185 25630 4329 1 9 . 1 1 57 57 ALA N N 57 121.609 121.609 123.056 -1.447 25630 4330 1 9 . 1 1 57 57 ALA HA H 57 3.852 3.852 4.005 -0.153 25630 4331 1 9 . 1 1 57 57 ALA C C 57 178.061 178.061 178.106 -0.045 25630 4332 1 9 . 1 1 57 57 ALA CA C 57 54.457 54.457 54.944 -0.487 25630 4333 1 9 . 1 1 57 57 ALA CB C 57 16.448 16.448 18.238 -1.790 25630 4334 1 9 . 1 1 57 57 ALA H H 57 8.619 8.619 8.172 0.447 25630 4335 1 9 . 1 1 58 58 ASN N N 58 113.169 113.169 112.583 0.586 25630 4336 1 9 . 1 1 58 58 ASN HA H 58 4.446 4.446 4.637 -0.191 25630 4337 1 9 . 1 1 58 58 ASN C C 58 174.706 174.706 175.683 -0.977 25630 4338 1 9 . 1 1 58 58 ASN CA C 58 54.894 54.894 54.056 0.838 25630 4339 1 9 . 1 1 58 58 ASN CB C 58 39.606 39.606 38.959 0.647 25630 4340 1 9 . 1 1 58 58 ASN H H 58 7.695 7.695 8.099 -0.404 25630 4341 1 9 . 1 1 59 59 ALA N N 59 119.952 119.952 121.816 -1.864 25630 4342 1 9 . 1 1 59 59 ALA HA H 59 4.382 4.382 4.432 -0.050 25630 4343 1 9 . 1 1 59 59 ALA C C 59 176.966 176.966 177.652 -0.686 25630 4344 1 9 . 1 1 59 59 ALA CA C 59 52.142 52.142 51.913 0.229 25630 4345 1 9 . 1 1 59 59 ALA CB C 59 19.235 19.235 19.916 -0.681 25630 4346 1 9 . 1 1 59 59 ALA H H 59 7.506 7.506 7.904 -0.398 25630 4347 1 9 . 1 1 60 60 ILE N N 60 120.027 120.027 120.114 -0.087 25630 4348 1 9 . 1 1 60 60 ILE HA H 60 4.067 4.067 4.101 -0.034 25630 4349 1 9 . 1 1 60 60 ILE C C 60 175.009 175.009 176.250 -1.241 25630 4350 1 9 . 1 1 60 60 ILE CA C 60 60.557 60.557 60.957 -0.400 25630 4351 1 9 . 1 1 60 60 ILE CB C 60 37.427 37.427 38.849 -1.422 25630 4352 1 9 . 1 1 60 60 ILE H H 60 7.184 7.184 7.696 -0.512 25630 4353 1 9 . 1 1 61 61 ALA N N 61 130.970 130.970 130.559 0.411 25630 4354 1 9 . 1 1 61 61 ALA HA H 61 4.151 4.151 4.128 0.023 25630 4355 1 9 . 1 1 61 61 ALA C C 61 177.709 177.709 177.307 0.402 25630 4356 1 9 . 1 1 61 61 ALA CA C 61 53.789 53.789 54.436 -0.647 25630 4357 1 9 . 1 1 61 61 ALA CB C 61 18.322 18.322 18.745 -0.423 25630 4358 1 9 . 1 1 61 61 ALA H H 61 8.486 8.486 8.792 -0.306 25630 4359 1 9 . 1 1 62 62 ASP N N 62 114.991 114.991 115.418 -0.427 25630 4360 1 9 . 1 1 62 62 ASP HA H 62 4.479 4.479 4.549 -0.070 25630 4361 1 9 . 1 1 62 62 ASP C C 62 174.354 174.354 175.116 -0.762 25630 4362 1 9 . 1 1 62 62 ASP CA C 62 52.461 52.461 53.773 -1.312 25630 4363 1 9 . 1 1 62 62 ASP CB C 62 37.900 37.900 39.746 -1.846 25630 4364 1 9 . 1 1 62 62 ASP H H 62 8.543 8.543 8.178 0.365 25630 4365 1 9 . 1 1 63 63 LEU N N 63 118.657 118.657 120.308 -1.651 25630 4366 1 9 . 1 1 63 63 LEU HA H 63 3.766 3.766 4.525 -0.759 25630 4367 1 9 . 1 1 63 63 LEU C C 63 175.646 175.646 175.176 0.470 25630 4368 1 9 . 1 1 63 63 LEU CA C 63 55.561 55.561 54.074 1.487 25630 4369 1 9 . 1 1 63 63 LEU CB C 63 42.180 42.180 44.246 -2.066 25630 4370 1 9 . 1 1 63 63 LEU H H 63 7.012 7.012 7.176 -0.164 25630 4371 1 9 . 1 1 64 64 ASN N N 64 125.123 125.123 124.590 0.533 25630 4372 1 9 . 1 1 64 64 ASN HA H 64 4.711 4.711 4.899 -0.188 25630 4373 1 9 . 1 1 64 64 ASN C C 64 175.086 175.086 176.061 -0.975 25630 4374 1 9 . 1 1 64 64 ASN CA C 64 51.664 51.664 51.358 0.306 25630 4375 1 9 . 1 1 64 64 ASN CB C 64 37.101 37.101 38.842 -1.741 25630 4376 1 9 . 1 1 64 64 ASN H H 64 8.947 8.947 8.722 0.225 25630 4377 1 9 . 1 1 65 65 LEU N N 65 126.541 126.541 125.726 0.815 25630 4378 1 9 . 1 1 65 65 LEU HA H 65 3.915 3.915 3.812 0.103 25630 4379 1 9 . 1 1 65 65 LEU C C 65 179.923 179.923 178.608 1.315 25630 4380 1 9 . 1 1 65 65 LEU CA C 65 57.744 57.744 58.198 -0.454 25630 4381 1 9 . 1 1 65 65 LEU CB C 65 40.932 40.932 41.421 -0.489 25630 4382 1 9 . 1 1 65 65 LEU H H 65 8.515 8.515 8.449 0.066 25630 4383 1 9 . 1 1 66 66 ASN N N 66 119.258 119.258 117.569 1.689 25630 4384 1 9 . 1 1 66 66 ASN HA H 66 4.515 4.515 4.370 0.145 25630 4385 1 9 . 1 1 66 66 ASN C C 66 177.832 177.832 177.362 0.470 25630 4386 1 9 . 1 1 66 66 ASN CA C 66 55.848 55.848 56.383 -0.535 25630 4387 1 9 . 1 1 66 66 ASN CB C 66 37.670 37.670 38.134 -0.464 25630 4388 1 9 . 1 1 66 66 ASN H H 66 8.376 8.376 7.929 0.447 25630 4389 1 9 . 1 1 67 67 ALA N N 67 125.139 125.139 123.046 2.093 25630 4390 1 9 . 1 1 67 67 ALA HA H 67 4.144 4.144 3.994 0.150 25630 4391 1 9 . 1 1 67 67 ALA C C 67 180.849 180.849 179.229 1.620 25630 4392 1 9 . 1 1 67 67 ALA CA C 67 53.639 53.639 54.983 -1.344 25630 4393 1 9 . 1 1 67 67 ALA CB C 67 17.340 17.340 18.067 -0.727 25630 4394 1 9 . 1 1 67 67 ALA H H 67 7.835 7.835 7.347 0.488 25630 4395 1 9 . 1 1 68 68 ALA N N 68 119.901 119.901 119.468 0.433 25630 4396 1 9 . 1 1 68 68 ALA HA H 68 3.959 3.959 4.088 -0.129 25630 4397 1 9 . 1 1 68 68 ALA C C 68 178.092 178.092 178.413 -0.321 25630 4398 1 9 . 1 1 68 68 ALA CA C 68 54.893 54.893 54.218 0.675 25630 4399 1 9 . 1 1 68 68 ALA CB C 68 17.324 17.324 18.499 -1.175 25630 4400 1 9 . 1 1 68 68 ALA H H 68 8.187 8.187 8.281 -0.094 25630 4401 1 9 . 1 1 69 69 ALA N N 69 118.169 118.169 120.210 -2.041 25630 4402 1 9 . 1 1 69 69 ALA HA H 69 4.233 4.233 4.440 -0.207 25630 4403 1 9 . 1 1 69 69 ALA C C 69 179.953 179.953 179.724 0.229 25630 4404 1 9 . 1 1 69 69 ALA CA C 69 54.247 54.247 54.166 0.081 25630 4405 1 9 . 1 1 69 69 ALA CB C 69 17.943 17.943 19.559 -1.616 25630 4406 1 9 . 1 1 69 69 ALA H H 69 7.987 7.987 7.794 0.193 25630 4407 1 9 . 1 1 70 70 GLY N N 70 102.097 102.097 107.602 -5.505 25630 4408 1 9 . 1 1 70 70 GLY C C 70 173.713 173.713 175.831 -2.118 25630 4409 1 9 . 1 1 70 70 GLY CA C 70 44.759 44.759 46.306 -1.547 25630 4410 1 9 . 1 1 70 70 GLY H H 70 7.736 7.736 8.344 -0.608 25630 4411 1 9 . 1 1 71 71 LEU N N 71 121.365 121.365 123.574 -2.209 25630 4412 1 9 . 1 1 71 71 LEU HA H 71 4.384 4.384 4.177 0.207 25630 4413 1 9 . 1 1 71 71 LEU C C 71 173.650 173.650 175.735 -2.085 25630 4414 1 9 . 1 1 71 71 LEU CA C 71 59.180 59.180 59.477 -0.297 25630 4415 1 9 . 1 1 71 71 LEU CB C 71 39.573 39.573 40.013 -0.440 25630 4416 1 9 . 1 1 71 71 LEU H H 71 7.180 7.180 8.485 -1.305 25630 4417 1 9 . 1 1 72 72 PRO HA H 72 3.870 3.870 4.234 -0.364 25630 4418 1 9 . 1 1 72 72 PRO CA C 72 67.297 67.297 65.520 1.777 25630 4419 1 9 . 1 1 72 72 PRO CB C 72 30.585 30.585 30.868 -0.283 25630 4420 1 9 . 1 1 73 73 ALA N N 73 119.120 119.120 119.291 -0.171 25630 4421 1 9 . 1 1 73 73 ALA HA H 73 4.108 4.108 4.227 -0.119 25630 4422 1 9 . 1 1 73 73 ALA C C 73 181.784 181.784 178.982 2.802 25630 4423 1 9 . 1 1 73 73 ALA CA C 73 54.924 54.924 54.506 0.418 25630 4424 1 9 . 1 1 73 73 ALA CB C 73 17.718 17.718 18.385 -0.667 25630 4425 1 9 . 1 1 73 73 ALA H H 73 7.959 7.959 7.832 0.127 25630 4426 1 9 . 1 1 74 74 LYS N N 74 119.785 119.785 117.004 2.781 25630 4427 1 9 . 1 1 74 74 LYS HA H 74 4.059 4.059 4.424 -0.365 25630 4428 1 9 . 1 1 74 74 LYS C C 74 178.488 178.488 178.680 -0.192 25630 4429 1 9 . 1 1 74 74 LYS CA C 74 58.725 58.725 57.346 1.379 25630 4430 1 9 . 1 1 74 74 LYS CB C 74 32.390 32.390 33.241 -0.851 25630 4431 1 9 . 1 1 74 74 LYS H H 74 8.259 8.259 7.518 0.741 25630 4432 1 9 . 1 1 75 75 CYS N N 75 114.446 114.446 116.030 -1.584 25630 4433 1 9 . 1 1 75 75 CYS HA H 75 4.759 4.759 4.118 0.641 25630 4434 1 9 . 1 1 75 75 CYS C C 75 174.445 174.445 175.758 -1.313 25630 4435 1 9 . 1 1 75 75 CYS CA C 75 52.907 52.907 61.656 -8.749 25630 4436 1 9 . 1 1 75 75 CYS CB C 75 35.891 35.891 26.800 9.091 25630 4437 1 9 . 1 1 75 75 CYS H H 75 7.807 7.807 8.454 -0.647 25630 4438 1 9 . 1 1 76 76 GLY N N 76 110.871 110.871 102.351 8.520 25630 4439 1 9 . 1 1 76 76 GLY C C 76 173.789 173.789 175.024 -1.235 25630 4440 1 9 . 1 1 76 76 GLY CA C 76 46.203 46.203 45.108 1.095 25630 4441 1 9 . 1 1 76 76 GLY H H 76 7.987 7.987 7.473 0.514 25630 4442 1 9 . 1 1 77 77 VAL N N 77 119.259 119.259 123.464 -4.205 25630 4443 1 9 . 1 1 77 77 VAL HA H 77 4.149 4.149 4.081 0.068 25630 4444 1 9 . 1 1 77 77 VAL C C 77 173.606 173.606 176.544 -2.938 25630 4445 1 9 . 1 1 77 77 VAL CA C 77 60.010 60.010 62.065 -2.055 25630 4446 1 9 . 1 1 77 77 VAL CB C 77 33.888 33.888 30.054 3.834 25630 4447 1 9 . 1 1 77 77 VAL H H 77 8.168 8.168 8.273 -0.105 25630 4448 1 9 . 1 1 78 78 ASN N N 78 125.739 125.739 119.552 6.187 25630 4449 1 9 . 1 1 78 78 ASN HA H 78 4.687 4.687 4.393 0.294 25630 4450 1 9 . 1 1 78 78 ASN C C 78 173.972 173.972 175.570 -1.598 25630 4451 1 9 . 1 1 78 78 ASN CA C 78 51.804 51.804 55.617 -3.813 25630 4452 1 9 . 1 1 78 78 ASN CB C 78 37.522 37.522 37.129 0.393 25630 4453 1 9 . 1 1 78 78 ASN H H 78 8.595 8.595 7.959 0.636 25630 4454 1 9 . 1 1 79 79 ILE N N 79 123.269 123.269 120.275 2.994 25630 4455 1 9 . 1 1 79 79 ILE HA H 79 4.407 4.407 3.889 0.518 25630 4456 1 9 . 1 1 79 79 ILE C C 79 175.707 175.707 175.173 0.534 25630 4457 1 9 . 1 1 79 79 ILE CA C 79 57.263 57.263 61.771 -4.508 25630 4458 1 9 . 1 1 79 79 ILE CB C 79 38.692 38.692 37.772 0.920 25630 4459 1 9 . 1 1 79 79 ILE H H 79 7.490 7.490 8.040 -0.550 25630 4460 1 9 . 1 1 80 80 PRO HA H 80 4.545 4.545 4.319 0.226 25630 4461 1 9 . 1 1 80 80 PRO C C 80 173.928 173.928 175.100 -1.172 25630 4462 1 9 . 1 1 80 80 PRO CA C 80 63.769 63.769 63.194 0.575 25630 4463 1 9 . 1 1 80 80 PRO CB C 80 30.333 30.333 30.444 -0.111 25630 4464 1 9 . 1 1 81 81 TYR N N 81 115.596 115.596 123.200 -7.604 25630 4465 1 9 . 1 1 81 81 TYR HA H 81 4.756 4.756 4.617 0.139 25630 4466 1 9 . 1 1 81 81 TYR C C 81 172.554 172.554 174.484 -1.930 25630 4467 1 9 . 1 1 81 81 TYR CA C 81 54.217 54.217 57.472 -3.255 25630 4468 1 9 . 1 1 81 81 TYR CB C 81 39.435 39.435 41.978 -2.543 25630 4469 1 9 . 1 1 81 81 TYR H H 81 6.566 6.566 8.126 -1.560 25630 4470 1 9 . 1 1 82 82 LYS N N 82 118.572 118.572 119.966 -1.394 25630 4471 1 9 . 1 1 82 82 LYS HA H 82 4.407 4.407 4.703 -0.296 25630 4472 1 9 . 1 1 82 82 LYS C C 82 176.795 176.795 175.701 1.094 25630 4473 1 9 . 1 1 82 82 LYS CA C 82 54.523 54.523 54.289 0.234 25630 4474 1 9 . 1 1 82 82 LYS CB C 82 33.584 33.584 35.375 -1.791 25630 4475 1 9 . 1 1 82 82 LYS H H 82 8.170 8.170 8.344 -0.174 25630 4476 1 9 . 1 1 83 83 ILE N N 83 128.219 128.219 117.708 10.511 25630 4477 1 9 . 1 1 83 83 ILE HA H 83 4.059 4.059 4.236 -0.177 25630 4478 1 9 . 1 1 83 83 ILE CA C 83 61.386 61.386 60.885 0.501 25630 4479 1 9 . 1 1 83 83 ILE CB C 83 35.648 35.648 40.258 -4.610 25630 4480 1 9 . 1 1 83 83 ILE H H 83 9.374 9.374 8.528 0.846 25630 4481 1 9 . 1 1 84 84 SER N N 84 121.442 121.442 117.217 4.225 25630 4482 1 9 . 1 1 84 84 SER HA H 84 4.702 4.702 4.383 0.319 25630 4483 1 9 . 1 1 84 84 SER C C 84 176.398 176.398 173.924 2.474 25630 4484 1 9 . 1 1 84 84 SER CA C 84 54.826 54.826 58.463 -3.637 25630 4485 1 9 . 1 1 84 84 SER CB C 84 64.454 64.454 63.815 0.639 25630 4486 1 9 . 1 1 84 84 SER H H 84 6.689 6.689 7.946 -1.257 25630 4487 1 9 . 1 1 85 85 PRO HA H 85 4.563 4.563 4.531 0.032 25630 4488 1 9 . 1 1 85 85 PRO CA C 85 63.711 63.711 63.603 0.108 25630 4489 1 9 . 1 1 85 85 PRO CB C 85 31.930 31.930 30.315 1.615 25630 4490 1 9 . 1 1 86 86 SER N N 86 109.474 109.474 112.792 -3.318 25630 4491 1 9 . 1 1 86 86 SER HA H 86 4.638 4.638 4.522 0.116 25630 4492 1 9 . 1 1 86 86 SER CA C 86 56.757 56.757 58.441 -1.684 25630 4493 1 9 . 1 1 86 86 SER CB C 86 63.491 63.491 64.508 -1.017 25630 4494 1 9 . 1 1 86 86 SER H H 86 7.947 7.947 8.275 -0.328 25630 4495 1 9 . 1 1 87 87 THR HA H 87 3.809 3.809 4.326 -0.517 25630 4496 1 9 . 1 1 87 87 THR C C 87 171.688 171.688 173.038 -1.350 25630 4497 1 9 . 1 1 87 87 THR CA C 87 63.765 63.765 62.497 1.268 25630 4498 1 9 . 1 1 87 87 THR CB C 87 69.896 69.896 69.883 0.013 25630 4499 1 9 . 1 1 88 88 ASP N N 88 124.634 124.634 122.700 1.934 25630 4500 1 9 . 1 1 88 88 ASP HA H 88 4.789 4.789 4.846 -0.057 25630 4501 1 9 . 1 1 88 88 ASP CA C 88 51.746 51.746 52.600 -0.854 25630 4502 1 9 . 1 1 88 88 ASP CB C 88 38.906 38.906 42.997 -4.091 25630 4503 1 9 . 1 1 88 88 ASP H H 88 8.628 8.628 8.461 0.167 25630 4504 1 9 . 1 1 89 89 CYS N N 89 125.452 125.452 120.773 4.679 25630 4505 1 9 . 1 1 89 89 CYS HA H 89 4.425 4.425 4.527 -0.102 25630 4506 1 9 . 1 1 89 89 CYS C C 89 175.346 175.346 176.447 -1.101 25630 4507 1 9 . 1 1 89 89 CYS CA C 89 54.899 54.899 59.364 -4.465 25630 4508 1 9 . 1 1 89 89 CYS CB C 89 36.960 36.960 28.085 8.875 25630 4509 1 9 . 1 1 89 89 CYS H H 89 8.647 8.647 8.635 0.012 25630 4510 1 9 . 1 1 90 90 ASN N N 90 116.267 116.267 118.616 -2.349 25630 4511 1 9 . 1 1 90 90 ASN HA H 90 4.456 4.456 4.373 0.083 25630 4512 1 9 . 1 1 90 90 ASN C C 90 175.437 175.437 176.356 -0.919 25630 4513 1 9 . 1 1 90 90 ASN CA C 90 54.691 54.691 55.573 -0.882 25630 4514 1 9 . 1 1 90 90 ASN CB C 90 37.607 37.607 38.597 -0.990 25630 4515 1 9 . 1 1 90 90 ASN H H 90 8.348 8.348 8.274 0.074 25630 4516 1 9 . 1 1 91 91 ARG N N 91 115.341 115.341 116.484 -1.143 25630 4517 1 9 . 1 1 91 91 ARG HA H 91 4.322 4.322 4.251 0.071 25630 4518 1 9 . 1 1 91 91 ARG C C 91 175.783 175.783 176.607 -0.824 25630 4519 1 9 . 1 1 91 91 ARG CA C 91 54.915 54.915 56.998 -2.083 25630 4520 1 9 . 1 1 91 91 ARG CB C 91 30.145 30.145 30.916 -0.771 25630 4521 1 9 . 1 1 91 91 ARG H H 91 7.133 7.133 7.893 -0.760 25630 4522 1 9 . 1 1 92 92 VAL N N 92 121.309 121.309 122.581 -1.272 25630 4523 1 9 . 1 1 92 92 VAL HA H 92 3.949 3.949 3.954 -0.005 25630 4524 1 9 . 1 1 92 92 VAL C C 92 174.084 174.084 176.216 -2.132 25630 4525 1 9 . 1 1 92 92 VAL CA C 92 62.875 62.875 63.108 -0.233 25630 4526 1 9 . 1 1 92 92 VAL CB C 92 32.316 32.316 28.912 3.404 25630 4527 1 9 . 1 1 92 92 VAL H H 92 6.990 6.990 7.868 -0.878 25630 4528 1 10 . 1 1 2 2 THR N N 2 113.980 113.980 113.381 0.599 25630 4529 1 10 . 1 1 2 2 THR HA H 2 4.807 4.807 4.463 0.344 25630 4530 1 10 . 1 1 2 2 THR C C 2 175.361 175.361 176.495 -1.134 25630 4531 1 10 . 1 1 2 2 THR CA C 2 58.659 58.659 62.027 -3.368 25630 4532 1 10 . 1 1 2 2 THR CB C 2 71.525 71.525 70.019 1.506 25630 4533 1 10 . 1 1 2 2 THR H H 2 8.298 8.298 8.292 0.006 25630 4534 1 10 . 1 1 3 3 CYS N N 3 116.929 116.929 123.515 -6.586 25630 4535 1 10 . 1 1 3 3 CYS HA H 3 4.720 4.720 4.076 0.644 25630 4536 1 10 . 1 1 3 3 CYS CA C 3 54.110 54.110 62.274 -8.164 25630 4537 1 10 . 1 1 3 3 CYS CB C 3 31.416 31.416 26.674 4.742 25630 4538 1 10 . 1 1 3 3 CYS H H 3 9.330 9.330 8.976 0.354 25630 4539 1 10 . 1 1 4 4 GLY N N 4 110.525 110.525 107.317 3.208 25630 4540 1 10 . 1 1 4 4 GLY CA C 4 46.883 46.883 46.992 -0.109 25630 4541 1 10 . 1 1 4 4 GLY H H 4 8.739 8.739 8.651 0.088 25630 4542 1 10 . 1 1 5 5 GLN N N 5 121.402 121.402 121.408 -0.006 25630 4543 1 10 . 1 1 5 5 GLN HA H 5 4.122 4.122 4.095 0.027 25630 4544 1 10 . 1 1 5 5 GLN C C 5 178.604 178.604 178.637 -0.033 25630 4545 1 10 . 1 1 5 5 GLN CA C 5 58.066 58.066 58.444 -0.378 25630 4546 1 10 . 1 1 5 5 GLN CB C 5 28.797 28.797 28.812 -0.015 25630 4547 1 10 . 1 1 5 5 GLN H H 5 7.651 7.651 8.003 -0.352 25630 4548 1 10 . 1 1 6 6 VAL N N 6 120.864 120.864 119.844 1.020 25630 4549 1 10 . 1 1 6 6 VAL HA H 6 3.622 3.622 3.527 0.095 25630 4550 1 10 . 1 1 6 6 VAL C C 6 176.268 176.268 178.040 -1.772 25630 4551 1 10 . 1 1 6 6 VAL CA C 6 65.939 65.939 66.561 -0.622 25630 4552 1 10 . 1 1 6 6 VAL CB C 6 31.034 31.034 31.467 -0.433 25630 4553 1 10 . 1 1 6 6 VAL H H 6 7.566 7.566 8.026 -0.460 25630 4554 1 10 . 1 1 7 7 THR N N 7 113.871 113.871 114.240 -0.369 25630 4555 1 10 . 1 1 7 7 THR HA H 7 3.697 3.697 3.948 -0.251 25630 4556 1 10 . 1 1 7 7 THR CA C 7 65.959 65.959 66.276 -0.317 25630 4557 1 10 . 1 1 7 7 THR CB C 7 68.108 68.108 68.416 -0.308 25630 4558 1 10 . 1 1 7 7 THR H H 7 8.835 8.835 7.722 1.113 25630 4559 1 10 . 1 1 8 8 GLY N N 8 108.517 108.517 108.894 -0.377 25630 4560 1 10 . 1 1 8 8 GLY C C 8 175.828 175.828 174.946 0.882 25630 4561 1 10 . 1 1 8 8 GLY CA C 8 46.675 46.675 46.292 0.383 25630 4562 1 10 . 1 1 8 8 GLY H H 8 7.900 7.900 7.626 0.274 25630 4563 1 10 . 1 1 9 9 ALA N N 9 123.446 123.446 123.391 0.055 25630 4564 1 10 . 1 1 9 9 ALA HA H 9 4.160 4.160 4.431 -0.271 25630 4565 1 10 . 1 1 9 9 ALA C C 9 177.583 177.583 179.004 -1.421 25630 4566 1 10 . 1 1 9 9 ALA CA C 9 54.053 54.053 53.507 0.546 25630 4567 1 10 . 1 1 9 9 ALA CB C 9 17.914 17.914 19.352 -1.438 25630 4568 1 10 . 1 1 9 9 ALA H H 9 7.483 7.483 7.834 -0.351 25630 4569 1 10 . 1 1 10 10 LEU N N 10 112.012 112.012 118.066 -6.054 25630 4570 1 10 . 1 1 10 10 LEU HA H 10 4.156 4.156 4.431 -0.275 25630 4571 1 10 . 1 1 10 10 LEU C C 10 177.573 177.573 177.671 -0.098 25630 4572 1 10 . 1 1 10 10 LEU CA C 10 53.384 53.384 54.891 -1.507 25630 4573 1 10 . 1 1 10 10 LEU CB C 10 42.102 42.102 41.212 0.890 25630 4574 1 10 . 1 1 10 10 LEU H H 10 7.279 7.279 7.658 -0.379 25630 4575 1 10 . 1 1 11 11 ALA N N 11 124.705 124.705 124.342 0.363 25630 4576 1 10 . 1 1 11 11 ALA HA H 11 4.251 4.251 4.187 0.064 25630 4577 1 10 . 1 1 11 11 ALA C C 11 176.754 176.754 176.700 0.054 25630 4578 1 10 . 1 1 11 11 ALA CA C 11 56.645 56.645 56.526 0.119 25630 4579 1 10 . 1 1 11 11 ALA CB C 11 15.503 15.503 16.510 -1.007 25630 4580 1 10 . 1 1 11 11 ALA H H 11 7.517 7.517 7.837 -0.320 25630 4581 1 10 . 1 1 12 12 PRO HA H 12 4.663 4.663 4.497 0.166 25630 4582 1 10 . 1 1 12 12 PRO CA C 12 64.423 64.423 64.189 0.234 25630 4583 1 10 . 1 1 12 12 PRO CB C 12 31.214 31.214 30.942 0.272 25630 4584 1 10 . 1 1 13 13 CYS N N 13 114.976 114.976 116.909 -1.933 25630 4585 1 10 . 1 1 13 13 CYS HA H 13 4.618 4.618 4.507 0.111 25630 4586 1 10 . 1 1 13 13 CYS C C 13 174.583 174.583 176.585 -2.002 25630 4587 1 10 . 1 1 13 13 CYS CA C 13 53.992 53.992 60.832 -6.840 25630 4588 1 10 . 1 1 13 13 CYS CB C 13 42.898 42.898 27.940 14.958 25630 4589 1 10 . 1 1 13 13 CYS H H 13 8.801 8.801 7.464 1.337 25630 4590 1 10 . 1 1 14 14 LEU N N 14 121.119 121.119 121.167 -0.048 25630 4591 1 10 . 1 1 14 14 LEU HA H 14 3.817 3.817 3.853 -0.036 25630 4592 1 10 . 1 1 14 14 LEU C C 14 177.057 177.057 178.802 -1.745 25630 4593 1 10 . 1 1 14 14 LEU CA C 14 59.303 59.303 58.340 0.963 25630 4594 1 10 . 1 1 14 14 LEU CB C 14 40.871 40.871 40.999 -0.129 25630 4595 1 10 . 1 1 14 14 LEU H H 14 7.665 7.665 7.746 -0.081 25630 4596 1 10 . 1 1 15 15 GLY N N 15 105.845 105.845 106.562 -0.717 25630 4597 1 10 . 1 1 15 15 GLY C C 15 176.947 176.947 175.457 1.490 25630 4598 1 10 . 1 1 15 15 GLY CA C 15 46.859 46.859 47.451 -0.592 25630 4599 1 10 . 1 1 15 15 GLY H H 15 8.322 8.322 8.288 0.034 25630 4600 1 10 . 1 1 16 16 TYR N N 16 125.900 125.900 122.063 3.837 25630 4601 1 10 . 1 1 16 16 TYR HA H 16 4.004 4.004 4.328 -0.324 25630 4602 1 10 . 1 1 16 16 TYR C C 16 177.192 177.192 177.266 -0.074 25630 4603 1 10 . 1 1 16 16 TYR CA C 16 61.361 61.361 60.083 1.278 25630 4604 1 10 . 1 1 16 16 TYR CB C 16 37.906 37.906 38.532 -0.626 25630 4605 1 10 . 1 1 16 16 TYR H H 16 8.650 8.650 7.572 1.078 25630 4606 1 10 . 1 1 17 17 LEU N N 17 117.280 117.280 118.425 -1.145 25630 4607 1 10 . 1 1 17 17 LEU HA H 17 3.792 3.792 3.964 -0.172 25630 4608 1 10 . 1 1 17 17 LEU C C 17 175.010 175.010 178.427 -3.417 25630 4609 1 10 . 1 1 17 17 LEU CA C 17 56.221 56.221 57.728 -1.507 25630 4610 1 10 . 1 1 17 17 LEU CB C 17 41.476 41.476 41.898 -0.421 25630 4611 1 10 . 1 1 17 17 LEU H H 17 8.419 8.419 7.724 0.695 25630 4612 1 10 . 1 1 18 18 ARG N N 18 115.416 115.416 116.519 -1.103 25630 4613 1 10 . 1 1 18 18 ARG HA H 18 4.579 4.579 4.905 -0.326 25630 4614 1 10 . 1 1 18 18 ARG C C 18 175.874 175.874 176.553 -0.679 25630 4615 1 10 . 1 1 18 18 ARG CA C 18 55.322 55.322 54.794 0.528 25630 4616 1 10 . 1 1 18 18 ARG CB C 18 30.375 30.375 30.258 0.117 25630 4617 1 10 . 1 1 18 18 ARG H H 18 7.212 7.212 8.355 -1.143 25630 4618 1 10 . 1 1 19 19 THR N N 19 117.095 117.095 118.977 -1.882 25630 4619 1 10 . 1 1 19 19 THR HA H 19 4.296 4.296 4.144 0.152 25630 4620 1 10 . 1 1 19 19 THR C C 19 173.038 173.038 173.876 -0.838 25630 4621 1 10 . 1 1 19 19 THR CA C 19 62.270 62.270 62.766 -0.496 25630 4622 1 10 . 1 1 19 19 THR CB C 19 69.436 69.436 68.236 1.200 25630 4623 1 10 . 1 1 19 19 THR H H 19 7.462 7.462 7.260 0.202 25630 4624 1 10 . 1 1 20 20 ALA N N 20 128.239 128.239 128.751 -0.512 25630 4625 1 10 . 1 1 20 20 ALA HA H 20 4.151 4.151 4.064 0.087 25630 4626 1 10 . 1 1 20 20 ALA C C 20 177.148 177.148 178.346 -1.198 25630 4627 1 10 . 1 1 20 20 ALA CA C 20 52.378 52.378 53.079 -0.701 25630 4628 1 10 . 1 1 20 20 ALA CB C 20 18.697 18.697 18.983 -0.286 25630 4629 1 10 . 1 1 20 20 ALA H H 20 8.607 8.607 8.037 0.570 25630 4630 1 10 . 1 1 21 21 GLY N N 21 106.473 106.473 111.048 -4.575 25630 4631 1 10 . 1 1 21 21 GLY C C 21 173.046 173.046 173.641 -0.595 25630 4632 1 10 . 1 1 21 21 GLY CA C 21 44.516 44.516 44.297 0.219 25630 4633 1 10 . 1 1 21 21 GLY H H 21 8.207 8.207 8.112 0.095 25630 4634 1 10 . 1 1 22 22 SER N N 22 115.592 115.592 116.501 -0.909 25630 4635 1 10 . 1 1 22 22 SER HA H 22 4.684 4.684 4.769 -0.085 25630 4636 1 10 . 1 1 22 22 SER CA C 22 56.763 56.763 58.302 -1.539 25630 4637 1 10 . 1 1 22 22 SER CB C 22 62.875 62.875 63.546 -0.671 25630 4638 1 10 . 1 1 22 22 SER H H 22 8.177 8.177 8.225 -0.048 25630 4639 1 10 . 1 1 23 23 VAL N N 23 120.568 120.568 120.543 0.025 25630 4640 1 10 . 1 1 23 23 VAL HA H 23 4.817 4.817 4.547 0.270 25630 4641 1 10 . 1 1 23 23 VAL CA C 23 58.256 58.256 59.355 -1.099 25630 4642 1 10 . 1 1 23 23 VAL CB C 23 32.614 32.614 33.432 -0.818 25630 4643 1 10 . 1 1 23 23 VAL H H 23 8.110 8.110 8.084 0.026 25630 4644 1 10 . 1 1 24 24 PRO HA H 24 4.400 4.400 4.646 -0.246 25630 4645 1 10 . 1 1 24 24 PRO CA C 24 62.104 62.104 62.782 -0.678 25630 4646 1 10 . 1 1 24 24 PRO CB C 24 31.625 31.625 32.367 -0.742 25630 4647 1 10 . 1 1 25 25 VAL N N 25 122.444 122.444 121.424 1.020 25630 4648 1 10 . 1 1 25 25 VAL HA H 25 3.666 3.666 3.288 0.378 25630 4649 1 10 . 1 1 25 25 VAL C C 25 174.735 174.735 174.724 0.011 25630 4650 1 10 . 1 1 25 25 VAL CA C 25 58.474 58.474 61.366 -2.892 25630 4651 1 10 . 1 1 25 25 VAL CB C 25 32.625 32.625 32.132 0.493 25630 4652 1 10 . 1 1 25 25 VAL H H 25 8.187 8.187 8.203 -0.016 25630 4653 1 10 . 1 1 26 26 PRO HA H 26 4.437 4.437 4.396 0.041 25630 4654 1 10 . 1 1 26 26 PRO CA C 26 62.431 62.431 62.402 0.029 25630 4655 1 10 . 1 1 26 26 PRO CB C 26 32.069 32.069 32.024 0.045 25630 4656 1 10 . 1 1 27 27 LEU N N 27 128.747 128.747 128.467 0.280 25630 4657 1 10 . 1 1 27 27 LEU HA H 27 3.982 3.982 4.016 -0.034 25630 4658 1 10 . 1 1 27 27 LEU C C 27 178.619 178.619 178.016 0.603 25630 4659 1 10 . 1 1 27 27 LEU CA C 27 58.471 58.471 58.843 -0.372 25630 4660 1 10 . 1 1 27 27 LEU CB C 27 41.085 41.085 41.076 0.009 25630 4661 1 10 . 1 1 27 27 LEU H H 27 8.871 8.871 8.495 0.377 25630 4662 1 10 . 1 1 28 28 THR N N 28 107.667 107.667 111.785 -4.118 25630 4663 1 10 . 1 1 28 28 THR HA H 28 3.962 3.962 3.901 0.061 25630 4664 1 10 . 1 1 28 28 THR C C 28 177.771 177.771 176.408 1.363 25630 4665 1 10 . 1 1 28 28 THR CA C 28 64.160 64.160 65.785 -1.625 25630 4666 1 10 . 1 1 28 28 THR CB C 28 67.597 67.597 67.703 -0.106 25630 4667 1 10 . 1 1 28 28 THR H H 28 8.219 8.219 8.240 -0.021 25630 4668 1 10 . 1 1 29 29 CYS N N 29 118.564 118.564 121.129 -2.565 25630 4669 1 10 . 1 1 29 29 CYS HA H 29 4.471 4.471 4.152 0.319 25630 4670 1 10 . 1 1 29 29 CYS C C 29 175.191 175.191 176.911 -1.720 25630 4671 1 10 . 1 1 29 29 CYS CA C 29 58.136 58.136 61.160 -3.024 25630 4672 1 10 . 1 1 29 29 CYS CB C 29 37.170 37.170 25.416 11.754 25630 4673 1 10 . 1 1 29 29 CYS H H 29 7.177 7.177 8.093 -0.916 25630 4674 1 10 . 1 1 30 30 CYS N N 30 117.371 117.371 121.186 -3.815 25630 4675 1 10 . 1 1 30 30 CYS HA H 30 4.656 4.656 3.946 0.710 25630 4676 1 10 . 1 1 30 30 CYS C C 30 177.101 177.101 177.054 0.047 25630 4677 1 10 . 1 1 30 30 CYS CA C 30 54.440 54.440 64.163 -9.723 25630 4678 1 10 . 1 1 30 30 CYS CB C 30 31.989 31.989 25.826 6.163 25630 4679 1 10 . 1 1 30 30 CYS H H 30 7.522 7.522 8.056 -0.534 25630 4680 1 10 . 1 1 31 31 ASN N N 31 119.039 119.039 117.946 1.093 25630 4681 1 10 . 1 1 31 31 ASN HA H 31 4.468 4.468 4.337 0.131 25630 4682 1 10 . 1 1 31 31 ASN C C 31 178.119 178.119 177.912 0.207 25630 4683 1 10 . 1 1 31 31 ASN CA C 31 55.778 55.778 56.390 -0.612 25630 4684 1 10 . 1 1 31 31 ASN CB C 31 36.964 36.964 37.684 -0.720 25630 4685 1 10 . 1 1 31 31 ASN H H 31 8.703 8.703 8.255 0.448 25630 4686 1 10 . 1 1 32 32 GLY N N 32 111.440 111.440 107.558 3.882 25630 4687 1 10 . 1 1 32 32 GLY C C 32 175.147 175.147 176.040 -0.893 25630 4688 1 10 . 1 1 32 32 GLY CA C 32 47.058 47.058 46.745 0.312 25630 4689 1 10 . 1 1 32 32 GLY H H 32 7.744 7.744 7.658 0.086 25630 4690 1 10 . 1 1 33 33 VAL N N 33 122.106 122.106 122.821 -0.715 25630 4691 1 10 . 1 1 33 33 VAL HA H 33 3.470 3.470 3.496 -0.026 25630 4692 1 10 . 1 1 33 33 VAL C C 33 177.344 177.344 177.617 -0.273 25630 4693 1 10 . 1 1 33 33 VAL CA C 33 66.135 66.135 66.662 -0.526 25630 4694 1 10 . 1 1 33 33 VAL CB C 33 31.530 31.530 31.431 0.099 25630 4695 1 10 . 1 1 33 33 VAL H H 33 8.139 8.139 7.603 0.536 25630 4696 1 10 . 1 1 34 34 ARG N N 34 119.957 119.957 120.144 -0.187 25630 4697 1 10 . 1 1 34 34 ARG HA H 34 3.869 3.869 3.910 -0.041 25630 4698 1 10 . 1 1 34 34 ARG C C 34 178.641 178.641 178.354 0.287 25630 4699 1 10 . 1 1 34 34 ARG CA C 34 59.563 59.563 59.964 -0.401 25630 4700 1 10 . 1 1 34 34 ARG CB C 34 29.978 29.978 29.946 0.032 25630 4701 1 10 . 1 1 34 34 ARG H H 34 8.452 8.452 8.686 -0.234 25630 4702 1 10 . 1 1 35 35 GLY N N 35 106.891 106.891 107.247 -0.356 25630 4703 1 10 . 1 1 35 35 GLY C C 35 176.413 176.413 175.751 0.662 25630 4704 1 10 . 1 1 35 35 GLY CA C 35 46.653 46.653 46.674 -0.021 25630 4705 1 10 . 1 1 35 35 GLY H H 35 8.062 8.062 7.688 0.374 25630 4706 1 10 . 1 1 36 36 LEU N N 36 123.784 123.784 122.455 1.329 25630 4707 1 10 . 1 1 36 36 LEU HA H 36 4.077 4.077 4.107 -0.030 25630 4708 1 10 . 1 1 36 36 LEU C C 36 177.848 177.848 179.459 -1.611 25630 4709 1 10 . 1 1 36 36 LEU CA C 36 57.160 57.160 57.214 -0.054 25630 4710 1 10 . 1 1 36 36 LEU CB C 36 41.162 41.162 42.133 -0.971 25630 4711 1 10 . 1 1 36 36 LEU H H 36 8.119 8.119 7.751 0.368 25630 4712 1 10 . 1 1 37 37 ASN N N 37 116.442 116.442 118.359 -1.917 25630 4713 1 10 . 1 1 37 37 ASN HA H 37 4.507 4.507 4.437 0.070 25630 4714 1 10 . 1 1 37 37 ASN C C 37 176.799 176.799 177.720 -0.921 25630 4715 1 10 . 1 1 37 37 ASN CA C 37 55.501 55.501 55.922 -0.421 25630 4716 1 10 . 1 1 37 37 ASN CB C 37 38.980 38.980 38.384 0.596 25630 4717 1 10 . 1 1 37 37 ASN H H 37 7.847 7.847 8.144 -0.297 25630 4718 1 10 . 1 1 38 38 ASN N N 38 115.049 115.049 116.910 -1.861 25630 4719 1 10 . 1 1 38 38 ASN HA H 38 4.421 4.421 4.678 -0.257 25630 4720 1 10 . 1 1 38 38 ASN C C 38 175.620 175.620 175.263 0.357 25630 4721 1 10 . 1 1 38 38 ASN CA C 38 54.393 54.393 54.148 0.245 25630 4722 1 10 . 1 1 38 38 ASN CB C 38 38.079 38.079 38.399 -0.320 25630 4723 1 10 . 1 1 38 38 ASN H H 38 7.982 7.982 8.167 -0.185 25630 4724 1 10 . 1 1 39 39 ALA N N 39 119.826 119.826 121.639 -1.813 25630 4725 1 10 . 1 1 39 39 ALA HA H 39 4.269 4.269 4.379 -0.110 25630 4726 1 10 . 1 1 39 39 ALA C C 39 176.587 176.587 176.028 0.559 25630 4727 1 10 . 1 1 39 39 ALA CA C 39 52.527 52.527 51.928 0.599 25630 4728 1 10 . 1 1 39 39 ALA CB C 39 18.507 18.507 19.587 -1.079 25630 4729 1 10 . 1 1 39 39 ALA H H 39 7.624 7.624 7.414 0.210 25630 4730 1 10 . 1 1 40 40 ALA N N 40 120.950 120.950 121.666 -0.716 25630 4731 1 10 . 1 1 40 40 ALA HA H 40 4.642 4.642 4.588 0.054 25630 4732 1 10 . 1 1 40 40 ALA C C 40 174.615 174.615 176.593 -1.978 25630 4733 1 10 . 1 1 40 40 ALA CA C 40 50.169 50.169 51.951 -1.782 25630 4734 1 10 . 1 1 40 40 ALA CB C 40 17.604 17.604 20.076 -2.472 25630 4735 1 10 . 1 1 40 40 ALA H H 40 7.290 7.290 7.212 0.078 25630 4736 1 10 . 1 1 41 41 ARG N N 41 122.802 122.802 122.802 0.000 25630 4737 1 10 . 1 1 41 41 ARG HA H 41 4.478 4.478 4.546 -0.068 25630 4738 1 10 . 1 1 41 41 ARG C C 41 176.177 176.177 175.741 0.436 25630 4739 1 10 . 1 1 41 41 ARG CA C 41 56.365 56.365 55.327 1.038 25630 4740 1 10 . 1 1 41 41 ARG CB C 41 31.618 31.618 30.699 0.919 25630 4741 1 10 . 1 1 41 41 ARG H H 41 9.046 9.046 8.659 0.387 25630 4742 1 10 . 1 1 42 42 THR N N 42 108.733 108.733 113.038 -4.305 25630 4743 1 10 . 1 1 42 42 THR HA H 42 4.740 4.740 4.626 0.114 25630 4744 1 10 . 1 1 42 42 THR C C 42 174.689 174.689 174.911 -0.222 25630 4745 1 10 . 1 1 42 42 THR CA C 42 58.871 58.871 60.580 -1.708 25630 4746 1 10 . 1 1 42 42 THR CB C 42 72.072 72.072 71.829 0.243 25630 4747 1 10 . 1 1 42 42 THR H H 42 7.739 7.739 7.470 0.269 25630 4748 1 10 . 1 1 43 43 THR N N 43 119.812 119.812 121.212 -1.400 25630 4749 1 10 . 1 1 43 43 THR HA H 43 3.847 3.847 4.232 -0.385 25630 4750 1 10 . 1 1 43 43 THR C C 43 175.620 175.620 176.526 -0.906 25630 4751 1 10 . 1 1 43 43 THR CA C 43 67.260 67.260 66.216 1.044 25630 4752 1 10 . 1 1 43 43 THR CB C 43 68.592 68.592 68.975 -0.383 25630 4753 1 10 . 1 1 43 43 THR H H 43 8.836 8.836 8.681 0.155 25630 4754 1 10 . 1 1 44 44 ILE N N 44 118.906 118.906 121.950 -3.044 25630 4755 1 10 . 1 1 44 44 ILE HA H 44 3.757 3.757 3.712 0.045 25630 4756 1 10 . 1 1 44 44 ILE C C 44 178.108 178.108 177.648 0.460 25630 4757 1 10 . 1 1 44 44 ILE CA C 44 63.926 63.926 63.783 0.143 25630 4758 1 10 . 1 1 44 44 ILE CB C 44 37.142 37.142 37.290 -0.148 25630 4759 1 10 . 1 1 44 44 ILE H H 44 8.101 8.101 7.806 0.295 25630 4760 1 10 . 1 1 45 45 ASP N N 45 122.298 122.298 119.943 2.355 25630 4761 1 10 . 1 1 45 45 ASP HA H 45 4.425 4.425 4.251 0.174 25630 4762 1 10 . 1 1 45 45 ASP C C 45 177.785 177.785 179.292 -1.507 25630 4763 1 10 . 1 1 45 45 ASP CA C 45 57.295 57.295 57.558 -0.263 25630 4764 1 10 . 1 1 45 45 ASP CB C 45 40.548 40.548 40.008 0.540 25630 4765 1 10 . 1 1 45 45 ASP H H 45 7.680 7.680 8.337 -0.657 25630 4766 1 10 . 1 1 46 46 ARG N N 46 120.337 120.337 118.133 2.204 25630 4767 1 10 . 1 1 46 46 ARG HA H 46 3.876 3.876 4.061 -0.185 25630 4768 1 10 . 1 1 46 46 ARG C C 46 177.807 177.807 178.718 -0.911 25630 4769 1 10 . 1 1 46 46 ARG CA C 46 60.277 60.277 58.074 2.203 25630 4770 1 10 . 1 1 46 46 ARG CB C 46 30.939 30.939 29.889 1.050 25630 4771 1 10 . 1 1 46 46 ARG H H 46 8.515 8.515 7.781 0.734 25630 4772 1 10 . 1 1 47 47 ARG N N 47 119.948 119.948 119.890 0.058 25630 4773 1 10 . 1 1 47 47 ARG HA H 47 3.665 3.665 4.153 -0.488 25630 4774 1 10 . 1 1 47 47 ARG C C 47 178.290 178.290 178.710 -0.420 25630 4775 1 10 . 1 1 47 47 ARG CA C 47 60.686 60.686 59.367 1.319 25630 4776 1 10 . 1 1 47 47 ARG CB C 47 29.376 29.376 29.963 -0.587 25630 4777 1 10 . 1 1 47 47 ARG H H 47 8.514 8.514 7.998 0.516 25630 4778 1 10 . 1 1 48 48 THR N N 48 117.694 117.694 117.359 0.335 25630 4779 1 10 . 1 1 48 48 THR HA H 48 3.942 3.942 3.900 0.042 25630 4780 1 10 . 1 1 48 48 THR C C 48 175.681 175.681 176.309 -0.628 25630 4781 1 10 . 1 1 48 48 THR CA C 48 66.372 66.372 67.392 -1.020 25630 4782 1 10 . 1 1 48 48 THR CB C 48 68.274 68.274 68.717 -0.443 25630 4783 1 10 . 1 1 48 48 THR H H 48 8.269 8.269 8.515 -0.246 25630 4784 1 10 . 1 1 49 49 ALA N N 49 124.040 124.040 122.875 1.165 25630 4785 1 10 . 1 1 49 49 ALA HA H 49 3.654 3.654 4.122 -0.468 25630 4786 1 10 . 1 1 49 49 ALA C C 49 177.390 177.390 178.902 -1.512 25630 4787 1 10 . 1 1 49 49 ALA CA C 49 55.805 55.805 55.179 0.626 25630 4788 1 10 . 1 1 49 49 ALA CB C 49 16.984 16.984 18.006 -1.022 25630 4789 1 10 . 1 1 49 49 ALA H H 49 8.550 8.550 7.690 0.860 25630 4790 1 10 . 1 1 50 50 CYS N N 50 116.329 116.329 119.231 -2.902 25630 4791 1 10 . 1 1 50 50 CYS HA H 50 3.545 3.545 3.978 -0.433 25630 4792 1 10 . 1 1 50 50 CYS C C 50 175.828 175.828 176.972 -1.144 25630 4793 1 10 . 1 1 50 50 CYS CA C 50 60.131 60.131 62.385 -2.254 25630 4794 1 10 . 1 1 50 50 CYS CB C 50 34.259 34.259 25.833 8.426 25630 4795 1 10 . 1 1 50 50 CYS H H 50 7.989 7.989 8.177 -0.188 25630 4796 1 10 . 1 1 51 51 ASN N N 51 120.444 120.444 118.411 2.033 25630 4797 1 10 . 1 1 51 51 ASN HA H 51 4.378 4.378 4.382 -0.004 25630 4798 1 10 . 1 1 51 51 ASN C C 51 178.199 178.199 177.616 0.583 25630 4799 1 10 . 1 1 51 51 ASN CA C 51 56.565 56.565 57.010 -0.445 25630 4800 1 10 . 1 1 51 51 ASN CB C 51 38.593 38.593 38.336 0.257 25630 4801 1 10 . 1 1 51 51 ASN H H 51 8.323 8.323 8.502 -0.179 25630 4802 1 10 . 1 1 52 52 CYS N N 52 119.488 119.488 120.173 -0.685 25630 4803 1 10 . 1 1 52 52 CYS HA H 52 4.373 4.373 4.148 0.225 25630 4804 1 10 . 1 1 52 52 CYS C C 52 177.254 177.254 176.580 0.674 25630 4805 1 10 . 1 1 52 52 CYS CA C 52 57.075 57.075 62.657 -5.582 25630 4806 1 10 . 1 1 52 52 CYS CB C 52 36.261 36.261 26.146 10.115 25630 4807 1 10 . 1 1 52 52 CYS H H 52 8.782 8.782 7.581 1.201 25630 4808 1 10 . 1 1 53 53 LEU N N 53 122.617 122.617 119.621 2.996 25630 4809 1 10 . 1 1 53 53 LEU HA H 53 3.901 3.901 3.876 0.025 25630 4810 1 10 . 1 1 53 53 LEU C C 53 177.359 177.359 179.014 -1.655 25630 4811 1 10 . 1 1 53 53 LEU CA C 53 57.761 57.761 57.844 -0.083 25630 4812 1 10 . 1 1 53 53 LEU CB C 53 41.156 41.156 41.765 -0.609 25630 4813 1 10 . 1 1 53 53 LEU H H 53 8.549 8.549 8.659 -0.110 25630 4814 1 10 . 1 1 54 54 LYS N N 54 122.313 122.313 120.030 2.283 25630 4815 1 10 . 1 1 54 54 LYS HA H 54 4.000 4.000 3.863 0.137 25630 4816 1 10 . 1 1 54 54 LYS C C 54 178.656 178.656 178.705 -0.049 25630 4817 1 10 . 1 1 54 54 LYS CA C 54 59.520 59.520 60.187 -0.667 25630 4818 1 10 . 1 1 54 54 LYS CB C 54 33.175 33.175 32.088 1.087 25630 4819 1 10 . 1 1 54 54 LYS H H 54 8.409 8.409 8.365 0.044 25630 4820 1 10 . 1 1 55 55 GLN N N 55 117.604 117.604 118.532 -0.928 25630 4821 1 10 . 1 1 55 55 GLN HA H 55 4.122 4.122 4.052 0.070 25630 4822 1 10 . 1 1 55 55 GLN C C 55 179.074 179.074 178.527 0.547 25630 4823 1 10 . 1 1 55 55 GLN CA C 55 58.354 58.354 58.672 -0.318 25630 4824 1 10 . 1 1 55 55 GLN CB C 55 27.875 27.875 28.121 -0.246 25630 4825 1 10 . 1 1 55 55 GLN H H 55 7.735 7.735 7.788 -0.053 25630 4826 1 10 . 1 1 56 56 THR N N 56 118.464 118.464 116.177 2.287 25630 4827 1 10 . 1 1 56 56 THR HA H 56 3.884 3.884 3.916 -0.032 25630 4828 1 10 . 1 1 56 56 THR C C 56 175.389 175.389 176.447 -1.058 25630 4829 1 10 . 1 1 56 56 THR CA C 56 66.829 66.829 66.537 0.292 25630 4830 1 10 . 1 1 56 56 THR CB C 56 68.401 68.401 68.785 -0.384 25630 4831 1 10 . 1 1 56 56 THR H H 56 8.091 8.091 7.513 0.578 25630 4832 1 10 . 1 1 57 57 ALA N N 57 121.609 121.609 123.786 -2.177 25630 4833 1 10 . 1 1 57 57 ALA HA H 57 3.852 3.852 4.012 -0.160 25630 4834 1 10 . 1 1 57 57 ALA C C 57 178.061 178.061 178.690 -0.629 25630 4835 1 10 . 1 1 57 57 ALA CA C 57 54.457 54.457 55.054 -0.597 25630 4836 1 10 . 1 1 57 57 ALA CB C 57 16.448 16.448 18.146 -1.698 25630 4837 1 10 . 1 1 57 57 ALA H H 57 8.619 8.619 8.218 0.401 25630 4838 1 10 . 1 1 58 58 ASN N N 58 113.169 113.169 114.306 -1.137 25630 4839 1 10 . 1 1 58 58 ASN HA H 58 4.446 4.446 4.547 -0.101 25630 4840 1 10 . 1 1 58 58 ASN C C 58 174.706 174.706 175.818 -1.112 25630 4841 1 10 . 1 1 58 58 ASN CA C 58 54.894 54.894 54.820 0.074 25630 4842 1 10 . 1 1 58 58 ASN CB C 58 39.606 39.606 39.132 0.474 25630 4843 1 10 . 1 1 58 58 ASN H H 58 7.695 7.695 8.221 -0.526 25630 4844 1 10 . 1 1 59 59 ALA N N 59 119.952 119.952 121.331 -1.379 25630 4845 1 10 . 1 1 59 59 ALA HA H 59 4.382 4.382 4.364 0.018 25630 4846 1 10 . 1 1 59 59 ALA C C 59 176.966 176.966 178.184 -1.218 25630 4847 1 10 . 1 1 59 59 ALA CA C 59 52.142 52.142 52.520 -0.378 25630 4848 1 10 . 1 1 59 59 ALA CB C 59 19.235 19.235 20.091 -0.856 25630 4849 1 10 . 1 1 59 59 ALA H H 59 7.506 7.506 7.765 -0.259 25630 4850 1 10 . 1 1 60 60 ILE N N 60 120.027 120.027 120.343 -0.316 25630 4851 1 10 . 1 1 60 60 ILE HA H 60 4.067 4.067 3.908 0.159 25630 4852 1 10 . 1 1 60 60 ILE C C 60 175.009 175.009 176.683 -1.674 25630 4853 1 10 . 1 1 60 60 ILE CA C 60 60.557 60.557 60.029 0.528 25630 4854 1 10 . 1 1 60 60 ILE CB C 60 37.427 37.427 35.214 2.213 25630 4855 1 10 . 1 1 60 60 ILE H H 60 7.184 7.184 7.937 -0.753 25630 4856 1 10 . 1 1 61 61 ALA N N 61 130.970 130.970 130.985 -0.015 25630 4857 1 10 . 1 1 61 61 ALA HA H 61 4.151 4.151 4.175 -0.024 25630 4858 1 10 . 1 1 61 61 ALA C C 61 177.709 177.709 176.912 0.797 25630 4859 1 10 . 1 1 61 61 ALA CA C 61 53.789 53.789 54.097 -0.308 25630 4860 1 10 . 1 1 61 61 ALA CB C 61 18.322 18.322 18.951 -0.628 25630 4861 1 10 . 1 1 61 61 ALA H H 61 8.486 8.486 8.341 0.145 25630 4862 1 10 . 1 1 62 62 ASP N N 62 114.991 114.991 116.652 -1.661 25630 4863 1 10 . 1 1 62 62 ASP HA H 62 4.479 4.479 4.748 -0.269 25630 4864 1 10 . 1 1 62 62 ASP C C 62 174.354 174.354 174.692 -0.338 25630 4865 1 10 . 1 1 62 62 ASP CA C 62 52.461 52.461 53.536 -1.075 25630 4866 1 10 . 1 1 62 62 ASP CB C 62 37.900 37.900 41.808 -3.908 25630 4867 1 10 . 1 1 62 62 ASP H H 62 8.543 8.543 7.939 0.604 25630 4868 1 10 . 1 1 63 63 LEU N N 63 118.657 118.657 122.229 -3.572 25630 4869 1 10 . 1 1 63 63 LEU HA H 63 3.766 3.766 4.270 -0.504 25630 4870 1 10 . 1 1 63 63 LEU C C 63 175.646 175.646 175.308 0.338 25630 4871 1 10 . 1 1 63 63 LEU CA C 63 55.561 55.561 55.085 0.476 25630 4872 1 10 . 1 1 63 63 LEU CB C 63 42.180 42.180 42.604 -0.424 25630 4873 1 10 . 1 1 63 63 LEU H H 63 7.012 7.012 7.193 -0.181 25630 4874 1 10 . 1 1 64 64 ASN N N 64 125.123 125.123 126.210 -1.087 25630 4875 1 10 . 1 1 64 64 ASN HA H 64 4.711 4.711 4.822 -0.111 25630 4876 1 10 . 1 1 64 64 ASN C C 64 175.086 175.086 176.547 -1.461 25630 4877 1 10 . 1 1 64 64 ASN CA C 64 51.664 51.664 51.879 -0.214 25630 4878 1 10 . 1 1 64 64 ASN CB C 64 37.101 37.101 38.102 -1.001 25630 4879 1 10 . 1 1 64 64 ASN H H 64 8.947 8.947 8.409 0.538 25630 4880 1 10 . 1 1 65 65 LEU N N 65 126.541 126.541 126.026 0.515 25630 4881 1 10 . 1 1 65 65 LEU HA H 65 3.915 3.915 3.884 0.031 25630 4882 1 10 . 1 1 65 65 LEU C C 65 179.923 179.923 178.097 1.826 25630 4883 1 10 . 1 1 65 65 LEU CA C 65 57.744 57.744 57.695 0.049 25630 4884 1 10 . 1 1 65 65 LEU CB C 65 40.932 40.932 41.358 -0.426 25630 4885 1 10 . 1 1 65 65 LEU H H 65 8.515 8.515 8.262 0.253 25630 4886 1 10 . 1 1 66 66 ASN N N 66 119.258 119.258 117.446 1.812 25630 4887 1 10 . 1 1 66 66 ASN HA H 66 4.515 4.515 4.523 -0.008 25630 4888 1 10 . 1 1 66 66 ASN C C 66 177.832 177.832 177.299 0.533 25630 4889 1 10 . 1 1 66 66 ASN CA C 66 55.848 55.848 56.280 -0.432 25630 4890 1 10 . 1 1 66 66 ASN CB C 66 37.670 37.670 38.008 -0.338 25630 4891 1 10 . 1 1 66 66 ASN H H 66 8.376 8.376 7.798 0.578 25630 4892 1 10 . 1 1 67 67 ALA N N 67 125.139 125.139 123.015 2.124 25630 4893 1 10 . 1 1 67 67 ALA HA H 67 4.144 4.144 4.229 -0.085 25630 4894 1 10 . 1 1 67 67 ALA C C 67 180.849 180.849 178.913 1.936 25630 4895 1 10 . 1 1 67 67 ALA CA C 67 53.639 53.639 54.618 -0.979 25630 4896 1 10 . 1 1 67 67 ALA CB C 67 17.340 17.340 18.269 -0.929 25630 4897 1 10 . 1 1 67 67 ALA H H 67 7.835 7.835 7.998 -0.163 25630 4898 1 10 . 1 1 68 68 ALA N N 68 119.901 119.901 119.225 0.676 25630 4899 1 10 . 1 1 68 68 ALA HA H 68 3.959 3.959 4.079 -0.120 25630 4900 1 10 . 1 1 68 68 ALA C C 68 178.092 178.092 178.061 0.031 25630 4901 1 10 . 1 1 68 68 ALA CA C 68 54.893 54.893 54.135 0.758 25630 4902 1 10 . 1 1 68 68 ALA CB C 68 17.324 17.324 18.623 -1.299 25630 4903 1 10 . 1 1 68 68 ALA H H 68 8.187 8.187 8.483 -0.296 25630 4904 1 10 . 1 1 69 69 ALA N N 69 118.169 118.169 120.084 -1.915 25630 4905 1 10 . 1 1 69 69 ALA HA H 69 4.233 4.233 4.181 0.052 25630 4906 1 10 . 1 1 69 69 ALA C C 69 179.953 179.953 179.217 0.736 25630 4907 1 10 . 1 1 69 69 ALA CA C 69 54.247 54.247 54.257 -0.010 25630 4908 1 10 . 1 1 69 69 ALA CB C 69 17.943 17.943 19.306 -1.363 25630 4909 1 10 . 1 1 69 69 ALA H H 69 7.987 7.987 7.427 0.560 25630 4910 1 10 . 1 1 70 70 GLY N N 70 102.097 102.097 107.343 -5.246 25630 4911 1 10 . 1 1 70 70 GLY C C 70 173.713 173.713 175.809 -2.096 25630 4912 1 10 . 1 1 70 70 GLY CA C 70 44.759 44.759 46.231 -1.472 25630 4913 1 10 . 1 1 70 70 GLY H H 70 7.736 7.736 7.744 -0.008 25630 4914 1 10 . 1 1 71 71 LEU N N 71 121.365 121.365 123.535 -2.170 25630 4915 1 10 . 1 1 71 71 LEU HA H 71 4.384 4.384 4.157 0.227 25630 4916 1 10 . 1 1 71 71 LEU C C 71 173.650 173.650 175.754 -2.104 25630 4917 1 10 . 1 1 71 71 LEU CA C 71 59.180 59.180 59.503 -0.323 25630 4918 1 10 . 1 1 71 71 LEU CB C 71 39.573 39.573 39.998 -0.425 25630 4919 1 10 . 1 1 71 71 LEU H H 71 7.180 7.180 8.310 -1.130 25630 4920 1 10 . 1 1 72 72 PRO HA H 72 3.870 3.870 4.242 -0.372 25630 4921 1 10 . 1 1 72 72 PRO CA C 72 67.297 67.297 65.495 1.802 25630 4922 1 10 . 1 1 72 72 PRO CB C 72 30.585 30.585 30.853 -0.268 25630 4923 1 10 . 1 1 73 73 ALA N N 73 119.120 119.120 119.168 -0.048 25630 4924 1 10 . 1 1 73 73 ALA HA H 73 4.108 4.108 4.090 0.018 25630 4925 1 10 . 1 1 73 73 ALA C C 73 181.784 181.784 178.988 2.796 25630 4926 1 10 . 1 1 73 73 ALA CA C 73 54.924 54.924 54.418 0.506 25630 4927 1 10 . 1 1 73 73 ALA CB C 73 17.718 17.718 18.338 -0.620 25630 4928 1 10 . 1 1 73 73 ALA H H 73 7.959 7.959 7.794 0.165 25630 4929 1 10 . 1 1 74 74 LYS N N 74 119.785 119.785 117.192 2.593 25630 4930 1 10 . 1 1 74 74 LYS HA H 74 4.059 4.059 4.430 -0.371 25630 4931 1 10 . 1 1 74 74 LYS C C 74 178.488 178.488 178.685 -0.197 25630 4932 1 10 . 1 1 74 74 LYS CA C 74 58.725 58.725 57.370 1.355 25630 4933 1 10 . 1 1 74 74 LYS CB C 74 32.390 32.390 33.343 -0.953 25630 4934 1 10 . 1 1 74 74 LYS H H 74 8.259 8.259 7.525 0.734 25630 4935 1 10 . 1 1 75 75 CYS N N 75 114.446 114.446 116.143 -1.697 25630 4936 1 10 . 1 1 75 75 CYS HA H 75 4.759 4.759 4.132 0.627 25630 4937 1 10 . 1 1 75 75 CYS C C 75 174.445 174.445 176.114 -1.669 25630 4938 1 10 . 1 1 75 75 CYS CA C 75 52.907 52.907 61.612 -8.705 25630 4939 1 10 . 1 1 75 75 CYS CB C 75 35.891 35.891 26.889 9.002 25630 4940 1 10 . 1 1 75 75 CYS H H 75 7.807 7.807 8.574 -0.767 25630 4941 1 10 . 1 1 76 76 GLY N N 76 110.871 110.871 103.159 7.712 25630 4942 1 10 . 1 1 76 76 GLY C C 76 173.789 173.789 174.796 -1.007 25630 4943 1 10 . 1 1 76 76 GLY CA C 76 46.203 46.203 45.109 1.093 25630 4944 1 10 . 1 1 76 76 GLY H H 76 7.987 7.987 7.498 0.489 25630 4945 1 10 . 1 1 77 77 VAL N N 77 119.259 119.259 122.336 -3.077 25630 4946 1 10 . 1 1 77 77 VAL HA H 77 4.149 4.149 3.993 0.156 25630 4947 1 10 . 1 1 77 77 VAL C C 77 173.606 173.606 176.553 -2.947 25630 4948 1 10 . 1 1 77 77 VAL CA C 77 60.010 60.010 60.624 -0.614 25630 4949 1 10 . 1 1 77 77 VAL CB C 77 33.888 33.888 29.938 3.950 25630 4950 1 10 . 1 1 77 77 VAL H H 77 8.168 8.168 7.894 0.274 25630 4951 1 10 . 1 1 78 78 ASN N N 78 125.739 125.739 119.815 5.924 25630 4952 1 10 . 1 1 78 78 ASN HA H 78 4.687 4.687 4.432 0.255 25630 4953 1 10 . 1 1 78 78 ASN C C 78 173.972 173.972 175.483 -1.511 25630 4954 1 10 . 1 1 78 78 ASN CA C 78 51.804 51.804 55.567 -3.763 25630 4955 1 10 . 1 1 78 78 ASN CB C 78 37.522 37.522 38.556 -1.034 25630 4956 1 10 . 1 1 78 78 ASN H H 78 8.595 8.595 7.901 0.694 25630 4957 1 10 . 1 1 79 79 ILE N N 79 123.269 123.269 119.312 3.957 25630 4958 1 10 . 1 1 79 79 ILE HA H 79 4.407 4.407 3.862 0.545 25630 4959 1 10 . 1 1 79 79 ILE C C 79 175.707 175.707 174.903 0.804 25630 4960 1 10 . 1 1 79 79 ILE CA C 79 57.263 57.263 61.679 -4.416 25630 4961 1 10 . 1 1 79 79 ILE CB C 79 38.692 38.692 37.785 0.908 25630 4962 1 10 . 1 1 79 79 ILE H H 79 7.490 7.490 8.170 -0.680 25630 4963 1 10 . 1 1 80 80 PRO HA H 80 4.545 4.545 4.366 0.179 25630 4964 1 10 . 1 1 80 80 PRO C C 80 173.928 173.928 175.289 -1.361 25630 4965 1 10 . 1 1 80 80 PRO CA C 80 63.769 63.769 63.212 0.557 25630 4966 1 10 . 1 1 80 80 PRO CB C 80 30.333 30.333 30.558 -0.225 25630 4967 1 10 . 1 1 81 81 TYR N N 81 115.596 115.596 123.450 -7.854 25630 4968 1 10 . 1 1 81 81 TYR HA H 81 4.756 4.756 4.682 0.074 25630 4969 1 10 . 1 1 81 81 TYR C C 81 172.554 172.554 174.435 -1.881 25630 4970 1 10 . 1 1 81 81 TYR CA C 81 54.217 54.217 56.335 -2.118 25630 4971 1 10 . 1 1 81 81 TYR CB C 81 39.435 39.435 42.194 -2.759 25630 4972 1 10 . 1 1 81 81 TYR H H 81 6.566 6.566 7.866 -1.300 25630 4973 1 10 . 1 1 82 82 LYS N N 82 118.572 118.572 120.753 -2.181 25630 4974 1 10 . 1 1 82 82 LYS HA H 82 4.407 4.407 4.524 -0.117 25630 4975 1 10 . 1 1 82 82 LYS C C 82 176.795 176.795 176.317 0.478 25630 4976 1 10 . 1 1 82 82 LYS CA C 82 54.523 54.523 54.837 -0.314 25630 4977 1 10 . 1 1 82 82 LYS CB C 82 33.584 33.584 33.638 -0.054 25630 4978 1 10 . 1 1 82 82 LYS H H 82 8.170 8.170 8.399 -0.229 25630 4979 1 10 . 1 1 83 83 ILE N N 83 128.219 128.219 119.330 8.889 25630 4980 1 10 . 1 1 83 83 ILE HA H 83 4.059 4.059 4.261 -0.202 25630 4981 1 10 . 1 1 83 83 ILE CA C 83 61.386 61.386 59.195 2.191 25630 4982 1 10 . 1 1 83 83 ILE CB C 83 35.648 35.648 40.520 -4.872 25630 4983 1 10 . 1 1 83 83 ILE H H 83 9.374 9.374 8.393 0.981 25630 4984 1 10 . 1 1 84 84 SER N N 84 121.442 121.442 120.236 1.206 25630 4985 1 10 . 1 1 84 84 SER HA H 84 4.702 4.702 4.282 0.420 25630 4986 1 10 . 1 1 84 84 SER C C 84 176.398 176.398 174.503 1.895 25630 4987 1 10 . 1 1 84 84 SER CA C 84 54.826 54.826 61.895 -7.069 25630 4988 1 10 . 1 1 84 84 SER CB C 84 64.454 64.454 61.540 2.914 25630 4989 1 10 . 1 1 84 84 SER H H 84 6.689 6.689 8.750 -2.061 25630 4990 1 10 . 1 1 85 85 PRO HA H 85 4.563 4.563 4.741 -0.178 25630 4991 1 10 . 1 1 85 85 PRO CA C 85 63.711 63.711 63.627 0.084 25630 4992 1 10 . 1 1 85 85 PRO CB C 85 31.930 31.930 30.110 1.820 25630 4993 1 10 . 1 1 86 86 SER N N 86 109.474 109.474 112.246 -2.772 25630 4994 1 10 . 1 1 86 86 SER HA H 86 4.638 4.638 4.621 0.017 25630 4995 1 10 . 1 1 86 86 SER CA C 86 56.757 56.757 58.754 -1.997 25630 4996 1 10 . 1 1 86 86 SER CB C 86 63.491 63.491 65.130 -1.639 25630 4997 1 10 . 1 1 86 86 SER H H 86 7.947 7.947 8.245 -0.298 25630 4998 1 10 . 1 1 87 87 THR HA H 87 3.809 3.809 4.597 -0.788 25630 4999 1 10 . 1 1 87 87 THR C C 87 171.688 171.688 172.045 -0.357 25630 5000 1 10 . 1 1 87 87 THR CA C 87 63.765 63.765 61.227 2.538 25630 5001 1 10 . 1 1 87 87 THR CB C 87 69.896 69.896 71.137 -1.241 25630 5002 1 10 . 1 1 88 88 ASP N N 88 124.634 124.634 121.519 3.115 25630 5003 1 10 . 1 1 88 88 ASP HA H 88 4.789 4.789 4.890 -0.101 25630 5004 1 10 . 1 1 88 88 ASP CA C 88 51.746 51.746 53.148 -1.402 25630 5005 1 10 . 1 1 88 88 ASP CB C 88 38.906 38.906 43.568 -4.662 25630 5006 1 10 . 1 1 88 88 ASP H H 88 8.628 8.628 8.487 0.141 25630 5007 1 10 . 1 1 89 89 CYS N N 89 125.452 125.452 124.226 1.226 25630 5008 1 10 . 1 1 89 89 CYS HA H 89 4.425 4.425 4.060 0.365 25630 5009 1 10 . 1 1 89 89 CYS C C 89 175.346 175.346 176.201 -0.855 25630 5010 1 10 . 1 1 89 89 CYS CA C 89 54.899 54.899 60.581 -5.682 25630 5011 1 10 . 1 1 89 89 CYS CB C 89 36.960 36.960 26.661 10.299 25630 5012 1 10 . 1 1 89 89 CYS H H 89 8.647 8.647 8.981 -0.334 25630 5013 1 10 . 1 1 90 90 ASN N N 90 116.267 116.267 117.946 -1.679 25630 5014 1 10 . 1 1 90 90 ASN HA H 90 4.456 4.456 4.423 0.033 25630 5015 1 10 . 1 1 90 90 ASN C C 90 175.437 175.437 176.778 -1.341 25630 5016 1 10 . 1 1 90 90 ASN CA C 90 54.691 54.691 55.544 -0.852 25630 5017 1 10 . 1 1 90 90 ASN CB C 90 37.607 37.607 38.293 -0.686 25630 5018 1 10 . 1 1 90 90 ASN H H 90 8.348 8.348 8.451 -0.103 25630 5019 1 10 . 1 1 91 91 ARG N N 91 115.341 115.341 116.670 -1.329 25630 5020 1 10 . 1 1 91 91 ARG HA H 91 4.322 4.322 4.424 -0.102 25630 5021 1 10 . 1 1 91 91 ARG C C 91 175.783 175.783 177.109 -1.326 25630 5022 1 10 . 1 1 91 91 ARG CA C 91 54.915 54.915 56.617 -1.702 25630 5023 1 10 . 1 1 91 91 ARG CB C 91 30.145 30.145 31.353 -1.208 25630 5024 1 10 . 1 1 91 91 ARG H H 91 7.133 7.133 7.673 -0.540 25630 5025 1 10 . 1 1 92 92 VAL N N 92 121.309 121.309 120.660 0.649 25630 5026 1 10 . 1 1 92 92 VAL HA H 92 3.949 3.949 3.859 0.090 25630 5027 1 10 . 1 1 92 92 VAL C C 92 174.084 174.084 175.818 -1.734 25630 5028 1 10 . 1 1 92 92 VAL CA C 92 62.875 62.875 62.324 0.551 25630 5029 1 10 . 1 1 92 92 VAL CB C 92 32.316 32.316 30.762 1.554 25630 5030 1 10 . 1 1 92 92 VAL H H 92 6.990 6.990 7.689 -0.699 25630 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 84 2.860 0.223 2.869 25630 2 1 1 "Average Difference" HA 99 0.237 -0.030 0.236 25630 3 1 1 "Average Difference" C 78 1.284 0.587 1.150 25630 4 1 1 "Average Difference" CA 91 2.320 0.982 2.113 25630 5 1 1 "Average Difference" CB 83 3.265 -0.684 3.212 25630 6 1 1 "Average Difference" HN 84 0.545 -0.048 0.546 25630 7 1 2 "Average Difference" N 84 3.107 0.069 3.125 25630 8 1 2 "Average Difference" HA 99 0.250 -0.012 0.251 25630 9 1 2 "Average Difference" C 78 1.335 0.508 1.243 25630 10 1 2 "Average Difference" CA 91 2.233 0.925 2.044 25630 11 1 2 "Average Difference" CB 83 3.298 -0.651 3.253 25630 12 1 2 "Average Difference" HN 84 0.571 -0.037 0.574 25630 13 1 3 "Average Difference" N 84 3.071 0.131 3.087 25630 14 1 3 "Average Difference" HA 99 0.255 -0.026 0.255 25630 15 1 3 "Average Difference" C 78 1.325 0.516 1.229 25630 16 1 3 "Average Difference" CA 91 2.283 0.942 2.091 25630 17 1 3 "Average Difference" CB 83 3.320 -0.669 3.272 25630 18 1 3 "Average Difference" HN 84 0.508 -0.031 0.510 25630 19 1 4 "Average Difference" N 84 2.995 0.303 2.997 25630 20 1 4 "Average Difference" HA 99 0.241 -0.018 0.241 25630 21 1 4 "Average Difference" C 78 1.353 0.507 1.262 25630 22 1 4 "Average Difference" CA 91 2.215 0.917 2.027 25630 23 1 4 "Average Difference" CB 83 3.287 -0.673 3.237 25630 24 1 4 "Average Difference" HN 84 0.538 -0.016 0.541 25630 25 1 5 "Average Difference" N 84 3.039 0.275 3.044 25630 26 1 5 "Average Difference" HA 99 0.247 -0.009 0.248 25630 27 1 5 "Average Difference" C 78 1.299 0.413 1.240 25630 28 1 5 "Average Difference" CA 91 2.266 0.892 2.095 25630 29 1 5 "Average Difference" CB 83 3.280 -0.578 3.248 25630 30 1 5 "Average Difference" HN 84 0.586 -0.008 0.590 25630 31 1 6 "Average Difference" N 84 3.102 0.091 3.120 25630 32 1 6 "Average Difference" HA 99 0.267 -0.003 0.269 25630 33 1 6 "Average Difference" C 78 1.360 0.469 1.285 25630 34 1 6 "Average Difference" CA 91 2.262 0.934 2.071 25630 35 1 6 "Average Difference" CB 83 3.344 -0.686 3.293 25630 36 1 6 "Average Difference" HN 84 0.592 -0.021 0.595 25630 37 1 7 "Average Difference" N 84 3.260 0.237 3.271 25630 38 1 7 "Average Difference" HA 99 0.264 -0.029 0.264 25630 39 1 7 "Average Difference" C 78 1.415 0.517 1.326 25630 40 1 7 "Average Difference" CA 91 2.309 0.976 2.104 25630 41 1 7 "Average Difference" CB 83 3.198 -0.680 3.144 25630 42 1 7 "Average Difference" HN 84 0.605 -0.047 0.607 25630 43 1 8 "Average Difference" N 84 2.927 0.206 2.938 25630 44 1 8 "Average Difference" HA 99 0.248 -0.005 0.249 25630 45 1 8 "Average Difference" C 78 1.362 0.504 1.274 25630 46 1 8 "Average Difference" CA 91 2.305 0.901 2.133 25630 47 1 8 "Average Difference" CB 83 3.300 -0.702 3.244 25630 48 1 8 "Average Difference" HN 84 0.583 -0.055 0.584 25630 49 1 9 "Average Difference" N 84 3.025 -0.091 3.042 25630 50 1 9 "Average Difference" HA 99 0.253 -0.025 0.253 25630 51 1 9 "Average Difference" C 78 1.335 0.571 1.215 25630 52 1 9 "Average Difference" CA 91 2.248 0.913 2.065 25630 53 1 9 "Average Difference" CB 83 3.210 -0.606 3.171 25630 54 1 9 "Average Difference" HN 84 0.577 -0.024 0.580 25630 55 1 10 "Average Difference" N 84 2.787 0.310 2.786 25630 56 1 10 "Average Difference" HA 99 0.256 -0.018 0.257 25630 57 1 10 "Average Difference" C 78 1.264 0.485 1.175 25630 58 1 10 "Average Difference" CA 91 2.434 0.895 2.276 25630 59 1 10 "Average Difference" CB 83 3.350 -0.587 3.318 25630 60 1 10 "Average Difference" HN 84 0.578 -0.034 0.580 25630 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 25630 _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 THR N N 2 113.980 113.980 113.210 0.770 25630 2 1 . 1 1 2 2 THR HA H 2 4.807 4.807 4.654 0.153 25630 3 1 . 1 1 2 2 THR C C 2 175.361 175.361 175.944 -0.583 25630 4 1 . 1 1 2 2 THR CA C 2 58.659 58.659 60.768 -2.109 25630 5 1 . 1 1 2 2 THR CB C 2 71.525 71.525 70.860 0.665 25630 6 1 . 1 1 2 2 THR H H 2 8.298 8.298 8.110 0.188 25630 7 1 . 1 1 3 3 CYS N N 3 116.929 116.929 122.431 -5.502 25630 8 1 . 1 1 3 3 CYS HA H 3 4.720 4.720 4.085 0.635 25630 9 1 . 1 1 3 3 CYS CA C 3 54.110 54.110 62.391 -8.281 25630 10 1 . 1 1 3 3 CYS CB C 3 31.416 31.416 26.538 4.878 25630 11 1 . 1 1 3 3 CYS H H 3 9.330 9.330 8.897 0.433 25630 12 1 . 1 1 4 4 GLY N N 4 110.525 110.525 107.813 2.712 25630 13 1 . 1 1 4 4 GLY CA C 4 46.883 46.883 47.233 -0.350 25630 14 1 . 1 1 4 4 GLY H H 4 8.739 8.739 8.329 0.410 25630 15 1 . 1 1 5 5 GLN N N 5 121.402 121.402 121.240 0.162 25630 16 1 . 1 1 5 5 GLN HA H 5 4.122 4.122 4.126 -0.003 25630 17 1 . 1 1 5 5 GLN C C 5 178.604 178.604 178.724 -0.120 25630 18 1 . 1 1 5 5 GLN CA C 5 58.066 58.066 58.056 0.010 25630 19 1 . 1 1 5 5 GLN CB C 5 28.797 28.797 28.491 0.306 25630 20 1 . 1 1 5 5 GLN H H 5 7.651 7.651 7.872 -0.221 25630 21 1 . 1 1 6 6 VAL N N 6 120.864 120.864 120.250 0.614 25630 22 1 . 1 1 6 6 VAL HA H 6 3.622 3.622 3.541 0.081 25630 23 1 . 1 1 6 6 VAL C C 6 176.268 176.268 178.025 -1.757 25630 24 1 . 1 1 6 6 VAL CA C 6 65.939 65.939 66.807 -0.868 25630 25 1 . 1 1 6 6 VAL CB C 6 31.034 31.034 31.382 -0.348 25630 26 1 . 1 1 6 6 VAL H H 6 7.566 7.566 8.067 -0.501 25630 27 1 . 1 1 7 7 THR N N 7 113.871 113.871 114.561 -0.690 25630 28 1 . 1 1 7 7 THR HA H 7 3.697 3.697 3.975 -0.278 25630 29 1 . 1 1 7 7 THR CA C 7 65.959 65.959 66.511 -0.552 25630 30 1 . 1 1 7 7 THR CB C 7 68.108 68.108 68.258 -0.150 25630 31 1 . 1 1 7 7 THR H H 7 8.835 8.835 8.018 0.817 25630 32 1 . 1 1 8 8 GLY N N 8 108.517 108.517 108.651 -0.134 25630 33 1 . 1 1 8 8 GLY C C 8 175.828 175.828 175.084 0.744 25630 34 1 . 1 1 8 8 GLY CA C 8 46.675 46.675 46.322 0.353 25630 35 1 . 1 1 8 8 GLY H H 8 7.900 7.900 7.621 0.279 25630 36 1 . 1 1 9 9 ALA N N 9 123.446 123.446 123.243 0.203 25630 37 1 . 1 1 9 9 ALA HA H 9 4.160 4.160 4.297 -0.137 25630 38 1 . 1 1 9 9 ALA C C 9 177.583 177.583 178.913 -1.330 25630 39 1 . 1 1 9 9 ALA CA C 9 54.053 54.053 53.843 0.210 25630 40 1 . 1 1 9 9 ALA CB C 9 17.914 17.914 19.456 -1.542 25630 41 1 . 1 1 9 9 ALA H H 9 7.483 7.483 7.877 -0.394 25630 42 1 . 1 1 10 10 LEU N N 10 112.012 112.012 118.181 -6.169 25630 43 1 . 1 1 10 10 LEU HA H 10 4.156 4.156 4.453 -0.297 25630 44 1 . 1 1 10 10 LEU C C 10 177.573 177.573 177.845 -0.272 25630 45 1 . 1 1 10 10 LEU CA C 10 53.384 53.384 54.835 -1.450 25630 46 1 . 1 1 10 10 LEU CB C 10 42.102 42.102 41.143 0.959 25630 47 1 . 1 1 10 10 LEU H H 10 7.279 7.279 7.741 -0.462 25630 48 1 . 1 1 11 11 ALA N N 11 124.705 124.705 124.449 0.256 25630 49 1 . 1 1 11 11 ALA HA H 11 4.251 4.251 4.175 0.076 25630 50 1 . 1 1 11 11 ALA C C 11 176.754 176.754 176.693 0.061 25630 51 1 . 1 1 11 11 ALA CA C 11 56.645 56.645 56.521 0.124 25630 52 1 . 1 1 11 11 ALA CB C 11 15.503 15.503 16.474 -0.971 25630 53 1 . 1 1 11 11 ALA H H 11 7.517 7.517 7.898 -0.381 25630 54 1 . 1 1 12 12 PRO HA H 12 4.663 4.663 4.493 0.170 25630 55 1 . 1 1 12 12 PRO CA C 12 64.423 64.423 64.103 0.320 25630 56 1 . 1 1 12 12 PRO CB C 12 31.214 31.214 30.941 0.273 25630 57 1 . 1 1 13 13 CYS N N 13 114.976 114.976 116.746 -1.770 25630 58 1 . 1 1 13 13 CYS HA H 13 4.618 4.618 4.542 0.076 25630 59 1 . 1 1 13 13 CYS C C 13 174.583 174.583 176.436 -1.853 25630 60 1 . 1 1 13 13 CYS CA C 13 53.992 53.992 60.186 -6.194 25630 61 1 . 1 1 13 13 CYS CB C 13 42.898 42.898 28.002 14.896 25630 62 1 . 1 1 13 13 CYS H H 13 8.801 8.801 7.614 1.187 25630 63 1 . 1 1 14 14 LEU N N 14 121.119 121.119 121.679 -0.560 25630 64 1 . 1 1 14 14 LEU HA H 14 3.817 3.817 3.899 -0.081 25630 65 1 . 1 1 14 14 LEU C C 14 177.057 177.057 178.912 -1.855 25630 66 1 . 1 1 14 14 LEU CA C 14 59.303 59.303 58.359 0.944 25630 67 1 . 1 1 14 14 LEU CB C 14 40.871 40.871 41.125 -0.254 25630 68 1 . 1 1 14 14 LEU H H 14 7.665 7.665 7.847 -0.182 25630 69 1 . 1 1 15 15 GLY N N 15 105.845 105.845 106.605 -0.760 25630 70 1 . 1 1 15 15 GLY C C 15 176.947 176.947 175.480 1.467 25630 71 1 . 1 1 15 15 GLY CA C 15 46.859 46.859 47.167 -0.308 25630 72 1 . 1 1 15 15 GLY H H 15 8.322 8.322 8.264 0.058 25630 73 1 . 1 1 16 16 TYR N N 16 125.900 125.900 122.200 3.700 25630 74 1 . 1 1 16 16 TYR HA H 16 4.004 4.004 4.303 -0.299 25630 75 1 . 1 1 16 16 TYR C C 16 177.192 177.192 177.239 -0.047 25630 76 1 . 1 1 16 16 TYR CA C 16 61.361 61.361 60.110 1.251 25630 77 1 . 1 1 16 16 TYR CB C 16 37.906 37.906 38.585 -0.679 25630 78 1 . 1 1 16 16 TYR H H 16 8.650 8.650 7.648 1.002 25630 79 1 . 1 1 17 17 LEU N N 17 117.280 117.280 117.676 -0.396 25630 80 1 . 1 1 17 17 LEU HA H 17 3.792 3.792 3.954 -0.162 25630 81 1 . 1 1 17 17 LEU C C 17 175.010 175.010 178.723 -3.713 25630 82 1 . 1 1 17 17 LEU CA C 17 56.221 56.221 57.409 -1.188 25630 83 1 . 1 1 17 17 LEU CB C 17 41.476 41.476 41.649 -0.173 25630 84 1 . 1 1 17 17 LEU H H 17 8.419 8.419 7.928 0.491 25630 85 1 . 1 1 18 18 ARG N N 18 115.416 115.416 115.791 -0.375 25630 86 1 . 1 1 18 18 ARG HA H 18 4.579 4.579 4.749 -0.170 25630 87 1 . 1 1 18 18 ARG C C 18 175.874 175.874 176.281 -0.407 25630 88 1 . 1 1 18 18 ARG CA C 18 55.322 55.322 55.727 -0.405 25630 89 1 . 1 1 18 18 ARG CB C 18 30.375 30.375 30.377 -0.002 25630 90 1 . 1 1 18 18 ARG H H 18 7.212 7.212 7.948 -0.736 25630 91 1 . 1 1 19 19 THR N N 19 117.095 117.095 117.742 -0.647 25630 92 1 . 1 1 19 19 THR HA H 19 4.296 4.296 4.252 0.044 25630 93 1 . 1 1 19 19 THR C C 19 173.038 173.038 174.114 -1.076 25630 94 1 . 1 1 19 19 THR CA C 19 62.270 62.270 62.512 -0.242 25630 95 1 . 1 1 19 19 THR CB C 19 69.436 69.436 69.005 0.431 25630 96 1 . 1 1 19 19 THR H H 19 7.462 7.462 7.319 0.143 25630 97 1 . 1 1 20 20 ALA N N 20 128.239 128.239 129.044 -0.805 25630 98 1 . 1 1 20 20 ALA HA H 20 4.151 4.151 4.218 -0.067 25630 99 1 . 1 1 20 20 ALA C C 20 177.148 177.148 177.599 -0.451 25630 100 1 . 1 1 20 20 ALA CA C 20 52.378 52.378 53.075 -0.697 25630 101 1 . 1 1 20 20 ALA CB C 20 18.697 18.697 19.240 -0.543 25630 102 1 . 1 1 20 20 ALA H H 20 8.607 8.607 8.258 0.349 25630 103 1 . 1 1 21 21 GLY N N 21 106.473 106.473 109.942 -3.469 25630 104 1 . 1 1 21 21 GLY C C 21 173.046 173.046 173.434 -0.388 25630 105 1 . 1 1 21 21 GLY CA C 21 44.516 44.516 44.454 0.062 25630 106 1 . 1 1 21 21 GLY H H 21 8.207 8.207 8.129 0.078 25630 107 1 . 1 1 22 22 SER N N 22 115.592 115.592 117.139 -1.548 25630 108 1 . 1 1 22 22 SER HA H 22 4.684 4.684 4.664 0.020 25630 109 1 . 1 1 22 22 SER CA C 22 56.763 56.763 58.319 -1.556 25630 110 1 . 1 1 22 22 SER CB C 22 62.875 62.875 63.191 -0.316 25630 111 1 . 1 1 22 22 SER H H 22 8.177 8.177 8.233 -0.056 25630 112 1 . 1 1 23 23 VAL N N 23 120.568 120.568 121.172 -0.604 25630 113 1 . 1 1 23 23 VAL HA H 23 4.817 4.817 4.550 0.267 25630 114 1 . 1 1 23 23 VAL CA C 23 58.256 58.256 59.251 -0.995 25630 115 1 . 1 1 23 23 VAL CB C 23 32.614 32.614 33.124 -0.511 25630 116 1 . 1 1 23 23 VAL H H 23 8.110 8.110 8.104 0.006 25630 117 1 . 1 1 24 24 PRO HA H 24 4.400 4.400 4.591 -0.191 25630 118 1 . 1 1 24 24 PRO CA C 24 62.104 62.104 62.739 -0.635 25630 119 1 . 1 1 24 24 PRO CB C 24 31.625 31.625 32.237 -0.612 25630 120 1 . 1 1 25 25 VAL N N 25 122.444 122.444 122.004 0.440 25630 121 1 . 1 1 25 25 VAL HA H 25 3.666 3.666 3.425 0.241 25630 122 1 . 1 1 25 25 VAL C C 25 174.735 174.735 174.825 -0.090 25630 123 1 . 1 1 25 25 VAL CA C 25 58.474 58.474 61.108 -2.634 25630 124 1 . 1 1 25 25 VAL CB C 25 32.625 32.625 31.861 0.764 25630 125 1 . 1 1 25 25 VAL H H 25 8.187 8.187 8.274 -0.087 25630 126 1 . 1 1 26 26 PRO HA H 26 4.437 4.437 4.401 0.036 25630 127 1 . 1 1 26 26 PRO CA C 26 62.431 62.431 62.383 0.048 25630 128 1 . 1 1 26 26 PRO CB C 26 32.069 32.069 32.159 -0.090 25630 129 1 . 1 1 27 27 LEU N N 27 128.747 128.747 127.305 1.442 25630 130 1 . 1 1 27 27 LEU HA H 27 3.982 3.982 4.029 -0.047 25630 131 1 . 1 1 27 27 LEU C C 27 178.619 178.619 178.433 0.186 25630 132 1 . 1 1 27 27 LEU CA C 27 58.471 58.471 58.772 -0.301 25630 133 1 . 1 1 27 27 LEU CB C 27 41.085 41.085 40.810 0.275 25630 134 1 . 1 1 27 27 LEU H H 27 8.871 8.871 8.596 0.275 25630 135 1 . 1 1 28 28 THR N N 28 107.667 107.667 111.805 -4.138 25630 136 1 . 1 1 28 28 THR HA H 28 3.962 3.962 3.958 0.004 25630 137 1 . 1 1 28 28 THR C C 28 177.771 177.771 176.482 1.289 25630 138 1 . 1 1 28 28 THR CA C 28 64.160 64.160 65.591 -1.431 25630 139 1 . 1 1 28 28 THR CB C 28 67.597 67.597 67.789 -0.192 25630 140 1 . 1 1 28 28 THR H H 28 8.219 8.219 8.294 -0.075 25630 141 1 . 1 1 29 29 CYS N N 29 118.564 118.564 121.015 -2.451 25630 142 1 . 1 1 29 29 CYS HA H 29 4.471 4.471 4.284 0.187 25630 143 1 . 1 1 29 29 CYS C C 29 175.191 175.191 176.958 -1.767 25630 144 1 . 1 1 29 29 CYS CA C 29 58.136 58.136 60.779 -2.643 25630 145 1 . 1 1 29 29 CYS CB C 29 37.170 37.170 25.535 11.635 25630 146 1 . 1 1 29 29 CYS H H 29 7.177 7.177 8.031 -0.854 25630 147 1 . 1 1 30 30 CYS N N 30 117.371 117.371 120.971 -3.600 25630 148 1 . 1 1 30 30 CYS HA H 30 4.656 4.656 4.012 0.644 25630 149 1 . 1 1 30 30 CYS C C 30 177.101 177.101 177.276 -0.174 25630 150 1 . 1 1 30 30 CYS CA C 30 54.440 54.440 63.761 -9.322 25630 151 1 . 1 1 30 30 CYS CB C 30 31.989 31.989 25.737 6.252 25630 152 1 . 1 1 30 30 CYS H H 30 7.522 7.522 8.100 -0.578 25630 153 1 . 1 1 31 31 ASN N N 31 119.039 119.039 118.401 0.638 25630 154 1 . 1 1 31 31 ASN HA H 31 4.468 4.468 4.375 0.093 25630 155 1 . 1 1 31 31 ASN C C 31 178.119 178.119 177.768 0.351 25630 156 1 . 1 1 31 31 ASN CA C 31 55.778 55.778 56.809 -1.031 25630 157 1 . 1 1 31 31 ASN CB C 31 36.964 36.964 37.833 -0.869 25630 158 1 . 1 1 31 31 ASN H H 31 8.703 8.703 8.217 0.486 25630 159 1 . 1 1 32 32 GLY N N 32 111.440 111.440 107.939 3.501 25630 160 1 . 1 1 32 32 GLY C C 32 175.147 175.147 175.980 -0.833 25630 161 1 . 1 1 32 32 GLY CA C 32 47.058 47.058 46.677 0.381 25630 162 1 . 1 1 32 32 GLY H H 32 7.744 7.744 7.685 0.059 25630 163 1 . 1 1 33 33 VAL N N 33 122.106 122.106 122.867 -0.761 25630 164 1 . 1 1 33 33 VAL HA H 33 3.470 3.470 3.544 -0.074 25630 165 1 . 1 1 33 33 VAL C C 33 177.344 177.344 177.576 -0.232 25630 166 1 . 1 1 33 33 VAL CA C 33 66.135 66.135 66.312 -0.177 25630 167 1 . 1 1 33 33 VAL CB C 33 31.530 31.530 31.380 0.150 25630 168 1 . 1 1 33 33 VAL H H 33 8.139 8.139 7.783 0.355 25630 169 1 . 1 1 34 34 ARG N N 34 119.957 119.957 120.210 -0.253 25630 170 1 . 1 1 34 34 ARG HA H 34 3.869 3.869 3.939 -0.070 25630 171 1 . 1 1 34 34 ARG C C 34 178.641 178.641 178.636 0.005 25630 172 1 . 1 1 34 34 ARG CA C 34 59.563 59.563 59.737 -0.174 25630 173 1 . 1 1 34 34 ARG CB C 34 29.978 29.978 29.827 0.151 25630 174 1 . 1 1 34 34 ARG H H 34 8.452 8.452 8.676 -0.224 25630 175 1 . 1 1 35 35 GLY N N 35 106.891 106.891 106.622 0.269 25630 176 1 . 1 1 35 35 GLY C C 35 176.413 176.413 176.298 0.115 25630 177 1 . 1 1 35 35 GLY CA C 35 46.653 46.653 46.686 -0.033 25630 178 1 . 1 1 35 35 GLY H H 35 8.062 8.062 7.764 0.298 25630 179 1 . 1 1 36 36 LEU N N 36 123.784 123.784 123.109 0.675 25630 180 1 . 1 1 36 36 LEU HA H 36 4.077 4.077 3.934 0.143 25630 181 1 . 1 1 36 36 LEU C C 36 177.848 177.848 178.394 -0.546 25630 182 1 . 1 1 36 36 LEU CA C 36 57.160 57.160 57.748 -0.588 25630 183 1 . 1 1 36 36 LEU CB C 36 41.162 41.162 41.792 -0.630 25630 184 1 . 1 1 36 36 LEU H H 36 8.119 8.119 7.715 0.404 25630 185 1 . 1 1 37 37 ASN N N 37 116.442 116.442 117.212 -0.770 25630 186 1 . 1 1 37 37 ASN HA H 37 4.507 4.507 4.327 0.180 25630 187 1 . 1 1 37 37 ASN C C 37 176.799 176.799 177.185 -0.386 25630 188 1 . 1 1 37 37 ASN CA C 37 55.501 55.501 56.363 -0.862 25630 189 1 . 1 1 37 37 ASN CB C 37 38.980 38.980 38.491 0.489 25630 190 1 . 1 1 37 37 ASN H H 37 7.847 7.847 8.077 -0.230 25630 191 1 . 1 1 38 38 ASN N N 38 115.049 115.049 117.387 -2.338 25630 192 1 . 1 1 38 38 ASN HA H 38 4.421 4.421 4.669 -0.248 25630 193 1 . 1 1 38 38 ASN C C 38 175.620 175.620 176.470 -0.850 25630 194 1 . 1 1 38 38 ASN CA C 38 54.393 54.393 54.793 -0.400 25630 195 1 . 1 1 38 38 ASN CB C 38 38.079 38.079 38.916 -0.838 25630 196 1 . 1 1 38 38 ASN H H 38 7.982 7.982 7.675 0.307 25630 197 1 . 1 1 39 39 ALA N N 39 119.826 119.826 122.215 -2.389 25630 198 1 . 1 1 39 39 ALA HA H 39 4.269 4.269 4.235 0.034 25630 199 1 . 1 1 39 39 ALA C C 39 176.587 176.587 177.890 -1.303 25630 200 1 . 1 1 39 39 ALA CA C 39 52.527 52.527 53.659 -1.132 25630 201 1 . 1 1 39 39 ALA CB C 39 18.507 18.507 19.063 -0.556 25630 202 1 . 1 1 39 39 ALA H H 39 7.624 7.624 7.886 -0.262 25630 203 1 . 1 1 40 40 ALA N N 40 120.950 120.950 120.331 0.619 25630 204 1 . 1 1 40 40 ALA HA H 40 4.642 4.642 4.340 0.302 25630 205 1 . 1 1 40 40 ALA C C 40 174.615 174.615 176.906 -2.291 25630 206 1 . 1 1 40 40 ALA CA C 40 50.169 50.169 51.601 -1.432 25630 207 1 . 1 1 40 40 ALA CB C 40 17.604 17.604 18.766 -1.162 25630 208 1 . 1 1 40 40 ALA H H 40 7.290 7.290 7.839 -0.549 25630 209 1 . 1 1 41 41 ARG N N 41 122.802 122.802 121.726 1.075 25630 210 1 . 1 1 41 41 ARG HA H 41 4.478 4.478 4.289 0.189 25630 211 1 . 1 1 41 41 ARG C C 41 176.177 176.177 175.764 0.413 25630 212 1 . 1 1 41 41 ARG CA C 41 56.365 56.365 56.754 -0.389 25630 213 1 . 1 1 41 41 ARG CB C 41 31.618 31.618 30.666 0.952 25630 214 1 . 1 1 41 41 ARG H H 41 9.046 9.046 8.105 0.941 25630 215 1 . 1 1 42 42 THR N N 42 108.733 108.733 111.086 -2.353 25630 216 1 . 1 1 42 42 THR HA H 42 4.740 4.740 4.502 0.238 25630 217 1 . 1 1 42 42 THR C C 42 174.689 174.689 175.443 -0.754 25630 218 1 . 1 1 42 42 THR CA C 42 58.871 58.871 60.674 -1.802 25630 219 1 . 1 1 42 42 THR CB C 42 72.072 72.072 71.200 0.872 25630 220 1 . 1 1 42 42 THR H H 42 7.739 7.739 7.584 0.155 25630 221 1 . 1 1 43 43 THR N N 43 119.812 119.812 121.094 -1.282 25630 222 1 . 1 1 43 43 THR HA H 43 3.847 3.847 4.072 -0.225 25630 223 1 . 1 1 43 43 THR C C 43 175.620 175.620 176.442 -0.822 25630 224 1 . 1 1 43 43 THR CA C 43 67.260 67.260 66.799 0.461 25630 225 1 . 1 1 43 43 THR CB C 43 68.592 68.592 68.696 -0.104 25630 226 1 . 1 1 43 43 THR H H 43 8.836 8.836 8.703 0.133 25630 227 1 . 1 1 44 44 ILE N N 44 118.906 118.906 121.673 -2.767 25630 228 1 . 1 1 44 44 ILE HA H 44 3.757 3.757 3.680 0.077 25630 229 1 . 1 1 44 44 ILE C C 44 178.108 178.108 177.682 0.426 25630 230 1 . 1 1 44 44 ILE CA C 44 63.926 63.926 64.136 -0.210 25630 231 1 . 1 1 44 44 ILE CB C 44 37.142 37.142 37.362 -0.220 25630 232 1 . 1 1 44 44 ILE H H 44 8.101 8.101 7.956 0.145 25630 233 1 . 1 1 45 45 ASP N N 45 122.298 122.298 119.633 2.665 25630 234 1 . 1 1 45 45 ASP HA H 45 4.425 4.425 4.352 0.073 25630 235 1 . 1 1 45 45 ASP C C 45 177.785 177.785 179.050 -1.265 25630 236 1 . 1 1 45 45 ASP CA C 45 57.295 57.295 57.464 -0.169 25630 237 1 . 1 1 45 45 ASP CB C 45 40.548 40.548 40.123 0.425 25630 238 1 . 1 1 45 45 ASP H H 45 7.680 7.680 8.242 -0.562 25630 239 1 . 1 1 46 46 ARG N N 46 120.337 120.337 119.037 1.300 25630 240 1 . 1 1 46 46 ARG HA H 46 3.876 3.876 4.080 -0.204 25630 241 1 . 1 1 46 46 ARG C C 46 177.807 177.807 178.661 -0.854 25630 242 1 . 1 1 46 46 ARG CA C 46 60.277 60.277 58.828 1.449 25630 243 1 . 1 1 46 46 ARG CB C 46 30.939 30.939 30.055 0.884 25630 244 1 . 1 1 46 46 ARG H H 46 8.515 8.515 7.852 0.663 25630 245 1 . 1 1 47 47 ARG N N 47 119.948 119.948 118.703 1.245 25630 246 1 . 1 1 47 47 ARG HA H 47 3.665 3.665 4.179 -0.514 25630 247 1 . 1 1 47 47 ARG C C 47 178.290 178.290 178.732 -0.442 25630 248 1 . 1 1 47 47 ARG CA C 47 60.686 60.686 59.297 1.389 25630 249 1 . 1 1 47 47 ARG CB C 47 29.376 29.376 29.628 -0.252 25630 250 1 . 1 1 47 47 ARG H H 47 8.514 8.514 8.084 0.430 25630 251 1 . 1 1 48 48 THR N N 48 117.694 117.694 117.128 0.566 25630 252 1 . 1 1 48 48 THR HA H 48 3.942 3.942 3.955 -0.013 25630 253 1 . 1 1 48 48 THR C C 48 175.681 175.681 176.305 -0.624 25630 254 1 . 1 1 48 48 THR CA C 48 66.372 66.372 67.124 -0.752 25630 255 1 . 1 1 48 48 THR CB C 48 68.274 68.274 68.603 -0.329 25630 256 1 . 1 1 48 48 THR H H 48 8.269 8.269 8.375 -0.106 25630 257 1 . 1 1 49 49 ALA N N 49 124.040 124.040 123.152 0.888 25630 258 1 . 1 1 49 49 ALA HA H 49 3.654 3.654 4.119 -0.465 25630 259 1 . 1 1 49 49 ALA C C 49 177.390 177.390 178.903 -1.513 25630 260 1 . 1 1 49 49 ALA CA C 49 55.805 55.805 55.206 0.599 25630 261 1 . 1 1 49 49 ALA CB C 49 16.984 16.984 18.045 -1.061 25630 262 1 . 1 1 49 49 ALA H H 49 8.550 8.550 7.786 0.764 25630 263 1 . 1 1 50 50 CYS N N 50 116.329 116.329 118.401 -2.072 25630 264 1 . 1 1 50 50 CYS HA H 50 3.545 3.545 4.042 -0.497 25630 265 1 . 1 1 50 50 CYS C C 50 175.828 175.828 176.952 -1.124 25630 266 1 . 1 1 50 50 CYS CA C 50 60.131 60.131 62.488 -2.357 25630 267 1 . 1 1 50 50 CYS CB C 50 34.259 34.259 25.779 8.480 25630 268 1 . 1 1 50 50 CYS H H 50 7.989 7.989 8.199 -0.210 25630 269 1 . 1 1 51 51 ASN N N 51 120.444 120.444 118.762 1.682 25630 270 1 . 1 1 51 51 ASN HA H 51 4.378 4.378 4.453 -0.075 25630 271 1 . 1 1 51 51 ASN C C 51 178.199 178.199 177.464 0.735 25630 272 1 . 1 1 51 51 ASN CA C 51 56.565 56.565 56.792 -0.227 25630 273 1 . 1 1 51 51 ASN CB C 51 38.593 38.593 37.907 0.686 25630 274 1 . 1 1 51 51 ASN H H 51 8.323 8.323 8.362 -0.039 25630 275 1 . 1 1 52 52 CYS N N 52 119.488 119.488 119.677 -0.188 25630 276 1 . 1 1 52 52 CYS HA H 52 4.373 4.373 4.122 0.251 25630 277 1 . 1 1 52 52 CYS C C 52 177.254 177.254 176.854 0.400 25630 278 1 . 1 1 52 52 CYS CA C 52 57.075 57.075 62.414 -5.339 25630 279 1 . 1 1 52 52 CYS CB C 52 36.261 36.261 26.027 10.233 25630 280 1 . 1 1 52 52 CYS H H 52 8.782 8.782 7.670 1.112 25630 281 1 . 1 1 53 53 LEU N N 53 122.617 122.617 119.612 3.005 25630 282 1 . 1 1 53 53 LEU HA H 53 3.901 3.901 4.044 -0.144 25630 283 1 . 1 1 53 53 LEU C C 53 177.359 177.359 178.769 -1.410 25630 284 1 . 1 1 53 53 LEU CA C 53 57.761 57.761 57.521 0.240 25630 285 1 . 1 1 53 53 LEU CB C 53 41.156 41.156 41.976 -0.820 25630 286 1 . 1 1 53 53 LEU H H 53 8.549 8.549 8.120 0.429 25630 287 1 . 1 1 54 54 LYS N N 54 122.313 122.313 119.526 2.787 25630 288 1 . 1 1 54 54 LYS HA H 54 4.000 4.000 3.886 0.114 25630 289 1 . 1 1 54 54 LYS C C 54 178.656 178.656 178.972 -0.316 25630 290 1 . 1 1 54 54 LYS CA C 54 59.520 59.520 59.330 0.190 25630 291 1 . 1 1 54 54 LYS CB C 54 33.175 33.175 31.772 1.403 25630 292 1 . 1 1 54 54 LYS H H 54 8.409 8.409 8.298 0.111 25630 293 1 . 1 1 55 55 GLN N N 55 117.604 117.604 117.590 0.014 25630 294 1 . 1 1 55 55 GLN HA H 55 4.122 4.122 4.097 0.025 25630 295 1 . 1 1 55 55 GLN C C 55 179.074 179.074 178.379 0.695 25630 296 1 . 1 1 55 55 GLN CA C 55 58.354 58.354 58.988 -0.634 25630 297 1 . 1 1 55 55 GLN CB C 55 27.875 27.875 28.429 -0.554 25630 298 1 . 1 1 55 55 GLN H H 55 7.735 7.735 8.049 -0.314 25630 299 1 . 1 1 56 56 THR N N 56 118.464 118.464 116.692 1.772 25630 300 1 . 1 1 56 56 THR HA H 56 3.884 3.884 3.990 -0.106 25630 301 1 . 1 1 56 56 THR C C 56 175.389 175.389 176.215 -0.826 25630 302 1 . 1 1 56 56 THR CA C 56 66.829 66.829 66.031 0.798 25630 303 1 . 1 1 56 56 THR CB C 56 68.401 68.401 68.645 -0.244 25630 304 1 . 1 1 56 56 THR H H 56 8.091 8.091 7.578 0.513 25630 305 1 . 1 1 57 57 ALA N N 57 121.609 121.609 123.525 -1.916 25630 306 1 . 1 1 57 57 ALA HA H 57 3.852 3.852 4.005 -0.153 25630 307 1 . 1 1 57 57 ALA C C 57 178.061 178.061 178.915 -0.854 25630 308 1 . 1 1 57 57 ALA CA C 57 54.457 54.457 55.105 -0.648 25630 309 1 . 1 1 57 57 ALA CB C 57 16.448 16.448 18.263 -1.815 25630 310 1 . 1 1 57 57 ALA H H 57 8.619 8.619 8.218 0.401 25630 311 1 . 1 1 58 58 ASN N N 58 113.169 113.169 115.021 -1.852 25630 312 1 . 1 1 58 58 ASN HA H 58 4.446 4.446 4.518 -0.072 25630 313 1 . 1 1 58 58 ASN C C 58 174.706 174.706 176.263 -1.557 25630 314 1 . 1 1 58 58 ASN CA C 58 54.894 54.894 55.108 -0.214 25630 315 1 . 1 1 58 58 ASN CB C 58 39.606 39.606 38.751 0.855 25630 316 1 . 1 1 58 58 ASN H H 58 7.695 7.695 8.098 -0.404 25630 317 1 . 1 1 59 59 ALA N N 59 119.952 119.952 121.376 -1.424 25630 318 1 . 1 1 59 59 ALA HA H 59 4.382 4.382 4.307 0.075 25630 319 1 . 1 1 59 59 ALA C C 59 176.966 176.966 178.093 -1.127 25630 320 1 . 1 1 59 59 ALA CA C 59 52.142 52.142 52.675 -0.532 25630 321 1 . 1 1 59 59 ALA CB C 59 19.235 19.235 19.664 -0.429 25630 322 1 . 1 1 59 59 ALA H H 59 7.506 7.506 7.557 -0.051 25630 323 1 . 1 1 60 60 ILE N N 60 120.027 120.027 120.675 -0.648 25630 324 1 . 1 1 60 60 ILE HA H 60 4.067 4.067 3.894 0.173 25630 325 1 . 1 1 60 60 ILE C C 60 175.009 175.009 176.390 -1.381 25630 326 1 . 1 1 60 60 ILE CA C 60 60.557 60.557 61.853 -1.296 25630 327 1 . 1 1 60 60 ILE CB C 60 37.427 37.427 37.152 0.275 25630 328 1 . 1 1 60 60 ILE H H 60 7.184 7.184 7.970 -0.786 25630 329 1 . 1 1 61 61 ALA N N 61 130.970 130.970 130.453 0.517 25630 330 1 . 1 1 61 61 ALA HA H 61 4.151 4.151 4.122 0.029 25630 331 1 . 1 1 61 61 ALA C C 61 177.709 177.709 177.262 0.447 25630 332 1 . 1 1 61 61 ALA CA C 61 53.789 53.789 54.083 -0.294 25630 333 1 . 1 1 61 61 ALA CB C 61 18.322 18.322 18.750 -0.427 25630 334 1 . 1 1 61 61 ALA H H 61 8.486 8.486 8.594 -0.108 25630 335 1 . 1 1 62 62 ASP N N 62 114.991 114.991 116.743 -1.752 25630 336 1 . 1 1 62 62 ASP HA H 62 4.479 4.479 4.720 -0.241 25630 337 1 . 1 1 62 62 ASP C C 62 174.354 174.354 174.834 -0.480 25630 338 1 . 1 1 62 62 ASP CA C 62 52.461 52.461 53.435 -0.974 25630 339 1 . 1 1 62 62 ASP CB C 62 37.900 37.900 40.814 -2.914 25630 340 1 . 1 1 62 62 ASP H H 62 8.543 8.543 8.013 0.530 25630 341 1 . 1 1 63 63 LEU N N 63 118.657 118.657 122.196 -3.539 25630 342 1 . 1 1 63 63 LEU HA H 63 3.766 3.766 4.370 -0.604 25630 343 1 . 1 1 63 63 LEU C C 63 175.646 175.646 175.217 0.429 25630 344 1 . 1 1 63 63 LEU CA C 63 55.561 55.561 54.765 0.796 25630 345 1 . 1 1 63 63 LEU CB C 63 42.180 42.180 42.629 -0.449 25630 346 1 . 1 1 63 63 LEU H H 63 7.012 7.012 7.453 -0.441 25630 347 1 . 1 1 64 64 ASN N N 64 125.123 125.123 126.189 -1.066 25630 348 1 . 1 1 64 64 ASN HA H 64 4.711 4.711 4.744 -0.033 25630 349 1 . 1 1 64 64 ASN C C 64 175.086 175.086 176.052 -0.966 25630 350 1 . 1 1 64 64 ASN CA C 64 51.664 51.664 52.015 -0.351 25630 351 1 . 1 1 64 64 ASN CB C 64 37.101 37.101 38.175 -1.074 25630 352 1 . 1 1 64 64 ASN H H 64 8.947 8.947 8.280 0.667 25630 353 1 . 1 1 65 65 LEU N N 65 126.541 126.541 125.219 1.322 25630 354 1 . 1 1 65 65 LEU HA H 65 3.915 3.915 3.800 0.115 25630 355 1 . 1 1 65 65 LEU C C 65 179.923 179.923 178.279 1.644 25630 356 1 . 1 1 65 65 LEU CA C 65 57.744 57.744 58.020 -0.276 25630 357 1 . 1 1 65 65 LEU CB C 65 40.932 40.932 41.387 -0.455 25630 358 1 . 1 1 65 65 LEU H H 65 8.515 8.515 8.158 0.357 25630 359 1 . 1 1 66 66 ASN N N 66 119.258 119.258 117.428 1.830 25630 360 1 . 1 1 66 66 ASN HA H 66 4.515 4.515 4.467 0.048 25630 361 1 . 1 1 66 66 ASN C C 66 177.832 177.832 177.284 0.548 25630 362 1 . 1 1 66 66 ASN CA C 66 55.848 55.848 56.293 -0.445 25630 363 1 . 1 1 66 66 ASN CB C 66 37.670 37.670 37.825 -0.155 25630 364 1 . 1 1 66 66 ASN H H 66 8.376 8.376 7.993 0.383 25630 365 1 . 1 1 67 67 ALA N N 67 125.139 125.139 122.585 2.554 25630 366 1 . 1 1 67 67 ALA HA H 67 4.144 4.144 4.193 -0.049 25630 367 1 . 1 1 67 67 ALA C C 67 180.849 180.849 178.873 1.976 25630 368 1 . 1 1 67 67 ALA CA C 67 53.639 53.639 54.507 -0.867 25630 369 1 . 1 1 67 67 ALA CB C 67 17.340 17.340 18.154 -0.814 25630 370 1 . 1 1 67 67 ALA H H 67 7.835 7.835 7.745 0.090 25630 371 1 . 1 1 68 68 ALA N N 68 119.901 119.901 119.618 0.283 25630 372 1 . 1 1 68 68 ALA HA H 68 3.959 3.959 4.136 -0.177 25630 373 1 . 1 1 68 68 ALA C C 68 178.092 178.092 178.218 -0.126 25630 374 1 . 1 1 68 68 ALA CA C 68 54.893 54.893 54.079 0.814 25630 375 1 . 1 1 68 68 ALA CB C 68 17.324 17.324 18.652 -1.328 25630 376 1 . 1 1 68 68 ALA H H 68 8.187 8.187 8.400 -0.213 25630 377 1 . 1 1 69 69 ALA N N 69 118.169 118.169 120.178 -2.009 25630 378 1 . 1 1 69 69 ALA HA H 69 4.233 4.233 4.398 -0.165 25630 379 1 . 1 1 69 69 ALA C C 69 179.953 179.953 179.451 0.502 25630 380 1 . 1 1 69 69 ALA CA C 69 54.247 54.247 54.121 0.126 25630 381 1 . 1 1 69 69 ALA CB C 69 17.943 17.943 19.583 -1.639 25630 382 1 . 1 1 69 69 ALA H H 69 7.987 7.987 7.667 0.320 25630 383 1 . 1 1 70 70 GLY N N 70 102.097 102.097 107.275 -5.178 25630 384 1 . 1 1 70 70 GLY C C 70 173.713 173.713 175.773 -2.061 25630 385 1 . 1 1 70 70 GLY CA C 70 44.759 44.759 46.304 -1.545 25630 386 1 . 1 1 70 70 GLY H H 70 7.736 7.736 7.959 -0.223 25630 387 1 . 1 1 71 71 LEU N N 71 121.365 121.365 123.509 -2.144 25630 388 1 . 1 1 71 71 LEU HA H 71 4.384 4.384 4.158 0.225 25630 389 1 . 1 1 71 71 LEU C C 71 173.650 173.650 175.767 -2.117 25630 390 1 . 1 1 71 71 LEU CA C 71 59.180 59.180 59.535 -0.355 25630 391 1 . 1 1 71 71 LEU CB C 71 39.573 39.573 39.996 -0.423 25630 392 1 . 1 1 71 71 LEU H H 71 7.180 7.180 8.222 -1.042 25630 393 1 . 1 1 72 72 PRO HA H 72 3.870 3.870 4.233 -0.363 25630 394 1 . 1 1 72 72 PRO CA C 72 67.297 67.297 65.373 1.924 25630 395 1 . 1 1 72 72 PRO CB C 72 30.585 30.585 30.848 -0.263 25630 396 1 . 1 1 73 73 ALA N N 73 119.120 119.120 119.348 -0.228 25630 397 1 . 1 1 73 73 ALA HA H 73 4.108 4.108 4.161 -0.053 25630 398 1 . 1 1 73 73 ALA C C 73 181.784 181.784 179.007 2.777 25630 399 1 . 1 1 73 73 ALA CA C 73 54.924 54.924 54.498 0.426 25630 400 1 . 1 1 73 73 ALA CB C 73 17.718 17.718 18.348 -0.630 25630 401 1 . 1 1 73 73 ALA H H 73 7.959 7.959 7.791 0.168 25630 402 1 . 1 1 74 74 LYS N N 74 119.785 119.785 117.028 2.757 25630 403 1 . 1 1 74 74 LYS HA H 74 4.059 4.059 4.421 -0.362 25630 404 1 . 1 1 74 74 LYS C C 74 178.488 178.488 178.472 0.016 25630 405 1 . 1 1 74 74 LYS CA C 74 58.725 58.725 57.390 1.335 25630 406 1 . 1 1 74 74 LYS CB C 74 32.390 32.390 33.373 -0.983 25630 407 1 . 1 1 74 74 LYS H H 74 8.259 8.259 7.538 0.721 25630 408 1 . 1 1 75 75 CYS N N 75 114.446 114.446 116.243 -1.797 25630 409 1 . 1 1 75 75 CYS HA H 75 4.759 4.759 4.115 0.644 25630 410 1 . 1 1 75 75 CYS C C 75 174.445 174.445 176.096 -1.651 25630 411 1 . 1 1 75 75 CYS CA C 75 52.907 52.907 61.802 -8.896 25630 412 1 . 1 1 75 75 CYS CB C 75 35.891 35.891 26.827 9.064 25630 413 1 . 1 1 75 75 CYS H H 75 7.807 7.807 8.533 -0.726 25630 414 1 . 1 1 76 76 GLY N N 76 110.871 110.871 103.239 7.632 25630 415 1 . 1 1 76 76 GLY C C 76 173.789 173.789 174.988 -1.199 25630 416 1 . 1 1 76 76 GLY CA C 76 46.203 46.203 45.185 1.018 25630 417 1 . 1 1 76 76 GLY H H 76 7.987 7.987 7.493 0.494 25630 418 1 . 1 1 77 77 VAL N N 77 119.259 119.259 122.947 -3.688 25630 419 1 . 1 1 77 77 VAL HA H 77 4.149 4.149 3.969 0.180 25630 420 1 . 1 1 77 77 VAL C C 77 173.606 173.606 176.503 -2.897 25630 421 1 . 1 1 77 77 VAL CA C 77 60.010 60.010 62.233 -2.223 25630 422 1 . 1 1 77 77 VAL CB C 77 33.888 33.888 30.344 3.544 25630 423 1 . 1 1 77 77 VAL H H 77 8.168 8.168 8.004 0.164 25630 424 1 . 1 1 78 78 ASN N N 78 125.739 125.739 118.581 7.158 25630 425 1 . 1 1 78 78 ASN HA H 78 4.687 4.687 4.467 0.220 25630 426 1 . 1 1 78 78 ASN C C 78 173.972 173.972 175.321 -1.349 25630 427 1 . 1 1 78 78 ASN CA C 78 51.804 51.804 55.429 -3.625 25630 428 1 . 1 1 78 78 ASN CB C 78 37.522 37.522 37.563 -0.041 25630 429 1 . 1 1 78 78 ASN H H 78 8.595 8.595 8.049 0.546 25630 430 1 . 1 1 79 79 ILE N N 79 123.269 123.269 119.660 3.609 25630 431 1 . 1 1 79 79 ILE HA H 79 4.407 4.407 4.038 0.369 25630 432 1 . 1 1 79 79 ILE C C 79 175.707 175.707 174.879 0.828 25630 433 1 . 1 1 79 79 ILE CA C 79 57.263 57.263 60.939 -3.676 25630 434 1 . 1 1 79 79 ILE CB C 79 38.692 38.692 38.444 0.248 25630 435 1 . 1 1 79 79 ILE H H 79 7.490 7.490 7.922 -0.432 25630 436 1 . 1 1 80 80 PRO HA H 80 4.545 4.545 4.400 0.145 25630 437 1 . 1 1 80 80 PRO C C 80 173.928 173.928 175.406 -1.478 25630 438 1 . 1 1 80 80 PRO CA C 80 63.769 63.769 63.203 0.566 25630 439 1 . 1 1 80 80 PRO CB C 80 30.333 30.333 30.513 -0.180 25630 440 1 . 1 1 81 81 TYR N N 81 115.596 115.596 123.282 -7.687 25630 441 1 . 1 1 81 81 TYR HA H 81 4.756 4.756 4.659 0.097 25630 442 1 . 1 1 81 81 TYR C C 81 172.554 172.554 174.472 -1.918 25630 443 1 . 1 1 81 81 TYR CA C 81 54.217 54.217 57.017 -2.800 25630 444 1 . 1 1 81 81 TYR CB C 81 39.435 39.435 41.535 -2.100 25630 445 1 . 1 1 81 81 TYR H H 81 6.566 6.566 8.028 -1.462 25630 446 1 . 1 1 82 82 LYS N N 82 118.572 118.572 121.656 -3.084 25630 447 1 . 1 1 82 82 LYS HA H 82 4.407 4.407 4.582 -0.175 25630 448 1 . 1 1 82 82 LYS C C 82 176.795 176.795 175.963 0.832 25630 449 1 . 1 1 82 82 LYS CA C 82 54.523 54.523 55.117 -0.594 25630 450 1 . 1 1 82 82 LYS CB C 82 33.584 33.584 34.462 -0.878 25630 451 1 . 1 1 82 82 LYS H H 82 8.170 8.170 8.333 -0.163 25630 452 1 . 1 1 83 83 ILE N N 83 128.219 128.219 118.888 9.331 25630 453 1 . 1 1 83 83 ILE HA H 83 4.059 4.059 4.268 -0.209 25630 454 1 . 1 1 83 83 ILE CA C 83 61.386 61.386 60.172 1.214 25630 455 1 . 1 1 83 83 ILE CB C 83 35.648 35.648 38.765 -3.117 25630 456 1 . 1 1 83 83 ILE H H 83 9.374 9.374 8.494 0.880 25630 457 1 . 1 1 84 84 SER N N 84 121.442 121.442 115.457 5.985 25630 458 1 . 1 1 84 84 SER HA H 84 4.702 4.702 4.436 0.266 25630 459 1 . 1 1 84 84 SER C C 84 176.398 176.398 173.293 3.106 25630 460 1 . 1 1 84 84 SER CA C 84 54.826 54.826 58.156 -3.330 25630 461 1 . 1 1 84 84 SER CB C 84 64.454 64.454 63.565 0.889 25630 462 1 . 1 1 84 84 SER H H 84 6.689 6.689 8.157 -1.468 25630 463 1 . 1 1 85 85 PRO HA H 85 4.563 4.563 4.577 -0.014 25630 464 1 . 1 1 85 85 PRO CA C 85 63.711 63.711 64.016 -0.305 25630 465 1 . 1 1 85 85 PRO CB C 85 31.930 31.930 31.441 0.489 25630 466 1 . 1 1 86 86 SER N N 86 109.474 109.474 113.592 -4.118 25630 467 1 . 1 1 86 86 SER HA H 86 4.638 4.638 4.614 0.024 25630 468 1 . 1 1 86 86 SER CA C 86 56.757 56.757 57.903 -1.145 25630 469 1 . 1 1 86 86 SER CB C 86 63.491 63.491 64.339 -0.848 25630 470 1 . 1 1 86 86 SER H H 86 7.947 7.947 7.987 -0.040 25630 471 1 . 1 1 87 87 THR HA H 87 3.809 3.809 4.347 -0.538 25630 472 1 . 1 1 87 87 THR C C 87 171.688 171.688 173.548 -1.860 25630 473 1 . 1 1 87 87 THR CA C 87 63.765 63.765 62.409 1.356 25630 474 1 . 1 1 87 87 THR CB C 87 69.896 69.896 69.915 -0.019 25630 475 1 . 1 1 88 88 ASP N N 88 124.634 124.634 124.011 0.623 25630 476 1 . 1 1 88 88 ASP HA H 88 4.789 4.789 4.783 0.006 25630 477 1 . 1 1 88 88 ASP CA C 88 51.746 51.746 53.124 -1.379 25630 478 1 . 1 1 88 88 ASP CB C 88 38.906 38.906 42.507 -3.601 25630 479 1 . 1 1 88 88 ASP H H 88 8.628 8.628 8.419 0.209 25630 480 1 . 1 1 89 89 CYS N N 89 125.452 125.452 121.727 3.725 25630 481 1 . 1 1 89 89 CYS HA H 89 4.425 4.425 4.284 0.140 25630 482 1 . 1 1 89 89 CYS C C 89 175.346 175.346 175.686 -0.340 25630 483 1 . 1 1 89 89 CYS CA C 89 54.899 54.899 59.263 -4.364 25630 484 1 . 1 1 89 89 CYS CB C 89 36.960 36.960 26.380 10.580 25630 485 1 . 1 1 89 89 CYS H H 89 8.647 8.647 8.667 -0.020 25630 486 1 . 1 1 90 90 ASN N N 90 116.267 116.267 117.999 -1.732 25630 487 1 . 1 1 90 90 ASN HA H 90 4.456 4.456 4.441 0.015 25630 488 1 . 1 1 90 90 ASN C C 90 175.437 175.437 176.606 -1.169 25630 489 1 . 1 1 90 90 ASN CA C 90 54.691 54.691 55.601 -0.910 25630 490 1 . 1 1 90 90 ASN CB C 90 37.607 37.607 38.568 -0.961 25630 491 1 . 1 1 90 90 ASN H H 90 8.348 8.348 8.409 -0.061 25630 492 1 . 1 1 91 91 ARG N N 91 115.341 115.341 118.307 -2.966 25630 493 1 . 1 1 91 91 ARG HA H 91 4.322 4.322 4.299 0.023 25630 494 1 . 1 1 91 91 ARG C C 91 175.783 175.783 176.804 -1.021 25630 495 1 . 1 1 91 91 ARG CA C 91 54.915 54.915 57.113 -2.199 25630 496 1 . 1 1 91 91 ARG CB C 91 30.145 30.145 30.660 -0.515 25630 497 1 . 1 1 91 91 ARG H H 91 7.133 7.133 7.936 -0.803 25630 498 1 . 1 1 92 92 VAL N N 92 121.309 121.309 120.758 0.551 25630 499 1 . 1 1 92 92 VAL HA H 92 3.949 3.949 3.877 0.072 25630 500 1 . 1 1 92 92 VAL C C 92 174.084 174.084 175.861 -1.777 25630 501 1 . 1 1 92 92 VAL CA C 92 62.875 62.875 62.576 0.299 25630 502 1 . 1 1 92 92 VAL CB C 92 32.316 32.316 30.169 2.147 25630 503 1 . 1 1 92 92 VAL H H 92 6.990 6.990 7.786 -0.796 25630 stop_ save_