data_19397 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19397 _Entry.PDB_ID 2MBE 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 19397 _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 CYS N N 2 123.896 123.896 116.252 7.644 19397 2 1 1 . 1 1 2 2 CYS HA H 2 4.643 4.643 4.857 -0.214 19397 3 1 1 . 1 1 2 2 CYS H H 2 8.271 8.271 8.225 0.046 19397 4 1 1 . 1 1 3 3 VAL N N 3 128.209 128.209 115.443 12.766 19397 5 1 1 . 1 1 3 3 VAL HA H 3 4.225 4.225 4.708 -0.483 19397 6 1 1 . 1 1 3 3 VAL H H 3 8.930 8.930 7.799 1.131 19397 7 1 1 . 1 1 4 4 HIS N N 4 126.227 126.227 120.258 5.969 19397 8 1 1 . 1 1 4 4 HIS HA H 4 5.364 5.364 5.047 0.317 19397 9 1 1 . 1 1 4 4 HIS H H 4 8.723 8.723 8.511 0.212 19397 10 1 1 . 1 1 5 5 VAL N N 5 122.706 122.706 114.539 8.167 19397 11 1 1 . 1 1 5 5 VAL HA H 5 4.636 4.636 5.233 -0.597 19397 12 1 1 . 1 1 5 5 VAL H H 5 9.400 9.400 8.424 0.976 19397 13 1 1 . 1 1 6 6 ARG N N 6 130.121 130.121 123.470 6.651 19397 14 1 1 . 1 1 6 6 ARG HA H 6 4.992 4.992 4.811 0.181 19397 15 1 1 . 1 1 6 6 ARG H H 6 8.874 8.874 8.360 0.514 19397 16 1 1 . 1 1 7 7 SER N N 7 117.297 117.297 114.302 2.995 19397 17 1 1 . 1 1 7 7 SER HA H 7 5.085 5.085 4.285 0.800 19397 18 1 1 . 1 1 7 7 SER H H 7 8.936 8.936 8.500 0.436 19397 19 1 1 . 1 1 10 10 TRP HA H 10 4.745 4.745 4.971 -0.226 19397 20 1 1 . 1 1 10 10 TRP H H 10 7.235 7.235 8.375 -1.140 19397 21 1 1 . 1 1 11 11 ASP N N 11 117.787 117.787 118.681 -0.894 19397 22 1 1 . 1 1 11 11 ASP HA H 11 4.791 4.791 4.837 -0.046 19397 23 1 1 . 1 1 11 11 ASP H H 11 7.665 7.665 7.727 -0.062 19397 24 1 1 . 1 1 13 13 MET N N 13 122.940 122.940 115.616 7.324 19397 25 1 1 . 1 1 13 13 MET HA H 13 4.858 4.858 4.849 0.009 19397 26 1 1 . 1 1 13 13 MET H H 13 8.827 8.827 8.408 0.419 19397 27 1 1 . 1 1 14 14 THR N N 14 121.214 121.214 113.711 7.503 19397 28 1 1 . 1 1 14 14 THR HA H 14 5.262 5.262 4.623 0.639 19397 29 1 1 . 1 1 14 14 THR H H 14 8.273 8.273 8.145 0.128 19397 30 1 1 . 1 1 16 16 ASP N N 16 122.962 122.962 127.017 -4.055 19397 31 1 1 . 1 1 16 16 ASP HA H 16 4.621 4.621 4.504 0.117 19397 32 1 1 . 1 1 16 16 ASP H H 16 8.719 8.719 8.231 0.488 19397 33 1 1 . 1 1 17 17 ALA N N 17 118.368 118.368 123.080 -4.712 19397 34 1 1 . 1 1 17 17 ALA HA H 17 5.131 5.131 4.401 0.730 19397 35 1 1 . 1 1 17 17 ALA H H 17 8.670 8.670 8.165 0.505 19397 36 1 1 . 1 1 18 18 ASN N N 18 123.103 123.103 120.120 2.983 19397 37 1 1 . 1 1 20 20 TYR N N 20 128.229 128.229 122.178 6.051 19397 38 1 1 . 1 1 20 20 TYR HA H 20 4.588 4.588 4.537 0.051 19397 39 1 1 . 1 1 20 20 TYR H H 20 7.004 7.004 8.492 -1.488 19397 40 1 1 . 1 1 21 21 ASP HA H 21 4.671 4.671 4.889 -0.218 19397 41 1 1 . 1 1 21 21 ASP H H 21 7.590 7.590 8.388 -0.798 19397 42 1 1 . 1 1 23 23 VAL N N 23 123.649 123.649 119.575 4.074 19397 43 1 1 . 1 1 23 23 VAL HA H 23 3.415 3.415 3.955 -0.540 19397 44 1 1 . 1 1 23 23 VAL H H 23 8.753 8.753 7.567 1.186 19397 45 1 1 . 1 1 25 25 LYS N N 25 119.120 119.120 118.820 0.300 19397 46 1 1 . 1 1 25 25 LYS HA H 25 3.871 3.871 4.084 -0.213 19397 47 1 1 . 1 1 25 25 LYS H H 25 7.760 7.760 7.517 0.243 19397 48 1 1 . 1 1 26 26 ILE N N 26 117.483 117.483 119.578 -2.095 19397 49 1 1 . 1 1 26 26 ILE HA H 26 3.508 3.508 3.887 -0.379 19397 50 1 1 . 1 1 26 26 ILE H H 26 7.324 7.324 7.640 -0.316 19397 51 1 1 . 1 1 27 27 LYS N N 27 119.349 119.349 118.957 0.392 19397 52 1 1 . 1 1 27 27 LYS HA H 27 4.400 4.400 4.107 0.293 19397 53 1 1 . 1 1 27 27 LYS H H 27 7.665 7.665 8.119 -0.454 19397 54 1 1 . 1 1 28 28 GLU N N 28 121.785 121.785 118.532 3.253 19397 55 1 1 . 1 1 28 28 GLU HA H 28 3.770 3.770 4.089 -0.319 19397 56 1 1 . 1 1 28 28 GLU H H 28 8.379 8.379 7.860 0.519 19397 57 1 1 . 1 1 29 29 HIS N N 29 122.422 122.422 116.246 6.176 19397 58 1 1 . 1 1 29 29 HIS HA H 29 4.203 4.203 4.414 -0.211 19397 59 1 1 . 1 1 29 29 HIS H H 29 7.590 7.590 7.683 -0.093 19397 60 1 1 . 1 1 30 30 VAL N N 30 121.437 121.437 116.384 5.053 19397 61 1 1 . 1 1 30 30 VAL HA H 30 3.477 3.477 4.119 -0.642 19397 62 1 1 . 1 1 30 30 VAL H H 30 8.412 8.412 7.269 1.143 19397 63 1 1 . 1 1 32 32 SER N N 32 121.037 121.037 116.625 4.412 19397 64 1 1 . 1 1 33 33 LYS N N 33 125.831 125.831 118.069 7.762 19397 65 1 1 . 1 1 33 33 LYS HA H 33 3.757 3.757 4.405 -0.648 19397 66 1 1 . 1 1 33 33 LYS H H 33 8.918 8.918 8.382 0.536 19397 67 1 1 . 1 1 34 34 THR N N 34 116.691 116.691 112.039 4.652 19397 68 1 1 . 1 1 34 34 THR HA H 34 4.111 4.111 4.148 -0.037 19397 69 1 1 . 1 1 34 34 THR H H 34 7.961 7.961 7.673 0.288 19397 70 1 1 . 1 1 35 35 LYS N N 35 117.623 117.623 119.581 -1.958 19397 71 1 1 . 1 1 35 35 LYS HA H 35 4.352 4.352 4.245 0.107 19397 72 1 1 . 1 1 35 35 LYS H H 35 7.064 7.064 8.124 -1.060 19397 73 1 1 . 1 1 36 36 VAL N N 36 125.248 125.248 120.741 4.507 19397 74 1 1 . 1 1 36 36 VAL HA H 36 3.770 3.770 4.370 -0.600 19397 75 1 1 . 1 1 36 36 VAL H H 36 7.918 7.918 7.499 0.419 19397 76 1 1 . 1 1 38 38 VAL HA H 38 4.078 4.078 3.940 0.138 19397 77 1 1 . 1 1 38 38 VAL H H 38 8.409 8.409 8.055 0.354 19397 78 1 1 . 1 1 39 39 GLN N N 39 115.805 115.805 122.237 -6.432 19397 79 1 1 . 1 1 39 39 GLN HA H 39 4.162 4.162 4.379 -0.217 19397 80 1 1 . 1 1 39 39 GLN H H 39 8.793 8.793 8.662 0.131 19397 81 1 1 . 1 1 40 40 ASP N N 40 120.069 120.069 118.255 1.814 19397 82 1 1 . 1 1 40 40 ASP HA H 40 4.769 4.769 4.371 0.398 19397 83 1 1 . 1 1 40 40 ASP H H 40 7.590 7.590 8.196 -0.606 19397 84 1 1 . 1 1 41 41 GLN N N 41 117.974 117.974 118.485 -0.511 19397 85 1 1 . 1 1 41 41 GLN HA H 41 4.453 4.453 4.472 -0.019 19397 86 1 1 . 1 1 41 41 GLN H H 41 7.046 7.046 8.111 -1.065 19397 87 1 1 . 1 1 42 42 VAL N N 42 123.686 123.686 119.945 3.741 19397 88 1 1 . 1 1 42 42 VAL HA H 42 4.175 4.175 4.586 -0.411 19397 89 1 1 . 1 1 42 42 VAL H H 42 8.842 8.842 8.690 0.152 19397 90 1 1 . 1 1 43 43 LEU N N 43 126.600 126.600 122.583 4.017 19397 91 1 1 . 1 1 43 43 LEU HA H 43 5.450 5.450 4.743 0.707 19397 92 1 1 . 1 1 43 43 LEU H H 43 9.208 9.208 8.031 1.177 19397 93 1 1 . 1 1 44 44 LEU N N 44 120.515 120.515 122.942 -2.427 19397 94 1 1 . 1 1 44 44 LEU HA H 44 5.178 5.178 5.318 -0.140 19397 95 1 1 . 1 1 44 44 LEU H H 44 9.107 9.107 8.251 0.856 19397 96 1 1 . 1 1 45 45 LEU N N 45 124.199 124.199 123.085 1.114 19397 97 1 1 . 1 1 45 45 LEU HA H 45 4.706 4.706 4.527 0.179 19397 98 1 1 . 1 1 45 45 LEU H H 45 8.551 8.551 8.736 -0.185 19397 99 1 1 . 1 1 48 48 LYS N N 48 124.618 124.618 119.247 5.371 19397 100 1 1 . 1 1 48 48 LYS HA H 48 4.339 4.339 4.660 -0.321 19397 101 1 1 . 1 1 48 48 LYS H H 48 7.982 7.982 7.766 0.216 19397 102 1 1 . 1 1 49 49 ILE N N 49 126.507 126.507 120.807 5.700 19397 103 1 1 . 1 1 49 49 ILE HA H 49 4.018 4.018 4.730 -0.712 19397 104 1 1 . 1 1 49 49 ILE H H 49 8.399 8.399 8.298 0.101 19397 105 1 1 . 1 1 50 50 LEU N N 50 128.139 128.139 129.780 -1.641 19397 106 1 1 . 1 1 50 50 LEU HA H 50 4.126 4.126 4.569 -0.443 19397 107 1 1 . 1 1 50 50 LEU H H 50 8.652 8.652 8.673 -0.021 19397 108 1 1 . 1 1 51 51 LYS N N 51 123.009 123.009 122.503 0.506 19397 109 1 1 . 1 1 51 51 LYS HA H 51 4.714 4.714 4.290 0.423 19397 110 1 1 . 1 1 51 51 LYS H H 51 8.132 8.132 8.541 -0.409 19397 111 1 1 . 1 1 56 56 LEU N N 56 123.359 123.359 122.139 1.220 19397 112 1 1 . 1 1 56 56 LEU HA H 56 4.188 4.188 4.579 -0.391 19397 113 1 1 . 1 1 56 56 LEU H H 56 8.627 8.627 7.783 0.844 19397 114 1 1 . 1 1 57 57 SER N N 57 113.706 113.706 114.605 -0.899 19397 115 1 1 . 1 1 57 57 SER HA H 57 4.265 4.265 4.127 0.138 19397 116 1 1 . 1 1 57 57 SER H H 57 8.719 8.719 8.354 0.365 19397 117 1 1 . 1 1 59 59 TYR N N 59 120.883 120.883 120.943 -0.060 19397 118 1 1 . 1 1 59 59 TYR HA H 59 4.536 4.536 4.588 -0.052 19397 119 1 1 . 1 1 59 59 TYR H H 59 7.737 7.737 7.998 -0.261 19397 120 1 1 . 1 1 61 61 ILE N N 61 117.591 117.591 116.703 0.888 19397 121 1 1 . 1 1 61 61 ILE HA H 61 4.099 4.099 4.389 -0.290 19397 122 1 1 . 1 1 61 61 ILE H H 61 6.997 6.997 7.520 -0.523 19397 123 1 1 . 1 1 64 64 GLU N N 64 126.670 126.670 120.850 5.820 19397 124 1 1 . 1 1 64 64 GLU HA H 64 4.559 4.559 4.560 -0.001 19397 125 1 1 . 1 1 64 64 GLU H H 64 8.132 8.132 8.523 -0.391 19397 126 1 1 . 1 1 67 67 ILE N N 67 121.803 121.803 114.145 7.658 19397 127 1 1 . 1 1 67 67 ILE HA H 67 4.497 4.497 4.539 -0.042 19397 128 1 1 . 1 1 67 67 ILE H H 67 8.488 8.488 8.515 -0.027 19397 129 1 1 . 1 1 68 68 HIS N N 68 124.455 124.455 123.558 0.897 19397 130 1 1 . 1 1 68 68 HIS HA H 68 5.131 5.131 5.583 -0.452 19397 131 1 1 . 1 1 68 68 HIS H H 68 8.425 8.425 8.532 -0.107 19397 132 1 1 . 1 1 69 69 LEU N N 69 122.823 122.823 125.397 -2.574 19397 133 1 1 . 1 1 69 69 LEU HA H 69 5.317 5.317 5.079 0.238 19397 134 1 1 . 1 1 69 69 LEU H H 69 9.322 9.322 9.014 0.308 19397 135 1 1 . 1 1 70 70 THR N N 70 118.743 118.743 111.503 7.240 19397 136 1 1 . 1 1 70 70 THR HA H 70 5.009 5.009 4.662 0.347 19397 137 1 1 . 1 1 70 70 THR H H 70 9.107 9.107 8.127 0.980 19397 138 1 1 . 1 1 71 71 LEU N N 71 126.880 126.880 124.249 2.631 19397 139 1 1 . 1 1 71 71 LEU HA H 71 5.363 5.363 4.652 0.711 19397 140 1 1 . 1 1 71 71 LEU H H 71 8.829 8.829 8.273 0.556 19397 141 1 1 . 1 1 72 72 LYS N N 72 128.792 128.792 122.882 5.910 19397 142 1 1 . 1 1 72 72 LYS HA H 72 4.683 4.683 4.594 0.089 19397 143 1 1 . 1 1 72 72 LYS H H 72 9.570 9.570 8.853 0.717 19397 144 1 1 . 1 1 73 73 VAL N N 73 120.771 120.771 116.490 4.281 19397 145 1 1 . 1 1 73 73 VAL HA H 73 4.807 4.807 4.419 0.388 19397 146 1 1 . 1 1 73 73 VAL H H 73 8.488 8.488 8.233 0.255 19397 147 1 1 . 1 1 74 74 VAL N N 74 127.859 127.859 119.042 8.817 19397 148 1 1 . 1 1 74 74 VAL HA H 74 3.956 3.956 4.478 -0.522 19397 149 1 1 . 1 1 74 74 VAL H H 74 8.715 8.715 8.166 0.549 19397 150 1 2 . 1 1 2 2 CYS N N 2 123.896 123.896 117.283 6.613 19397 151 1 2 . 1 1 2 2 CYS HA H 2 4.643 4.643 4.859 -0.216 19397 152 1 2 . 1 1 2 2 CYS H H 2 8.271 8.271 8.569 -0.298 19397 153 1 2 . 1 1 3 3 VAL N N 3 128.209 128.209 118.382 9.827 19397 154 1 2 . 1 1 3 3 VAL HA H 3 4.225 4.225 4.189 0.036 19397 155 1 2 . 1 1 3 3 VAL H H 3 8.930 8.930 7.977 0.953 19397 156 1 2 . 1 1 4 4 HIS N N 4 126.227 126.227 121.026 5.201 19397 157 1 2 . 1 1 4 4 HIS HA H 4 5.364 5.364 4.935 0.429 19397 158 1 2 . 1 1 4 4 HIS H H 4 8.723 8.723 8.324 0.399 19397 159 1 2 . 1 1 5 5 VAL N N 5 122.706 122.706 120.294 2.412 19397 160 1 2 . 1 1 5 5 VAL HA H 5 4.636 4.636 5.082 -0.446 19397 161 1 2 . 1 1 5 5 VAL H H 5 9.400 9.400 8.568 0.832 19397 162 1 2 . 1 1 6 6 ARG N N 6 130.121 130.121 126.178 3.943 19397 163 1 2 . 1 1 6 6 ARG HA H 6 4.992 4.992 4.654 0.338 19397 164 1 2 . 1 1 6 6 ARG H H 6 8.874 8.874 7.754 1.120 19397 165 1 2 . 1 1 7 7 SER N N 7 117.297 117.297 116.716 0.581 19397 166 1 2 . 1 1 7 7 SER HA H 7 5.085 5.085 4.352 0.733 19397 167 1 2 . 1 1 7 7 SER H H 7 8.936 8.936 8.550 0.386 19397 168 1 2 . 1 1 10 10 TRP HA H 10 4.745 4.745 4.880 -0.135 19397 169 1 2 . 1 1 10 10 TRP H H 10 7.235 7.235 8.363 -1.128 19397 170 1 2 . 1 1 11 11 ASP N N 11 117.787 117.787 119.971 -2.184 19397 171 1 2 . 1 1 11 11 ASP HA H 11 4.791 4.791 4.933 -0.142 19397 172 1 2 . 1 1 11 11 ASP H H 11 7.665 7.665 7.838 -0.173 19397 173 1 2 . 1 1 13 13 MET N N 13 122.940 122.940 118.349 4.591 19397 174 1 2 . 1 1 13 13 MET HA H 13 4.858 4.858 4.822 0.036 19397 175 1 2 . 1 1 13 13 MET H H 13 8.827 8.827 8.468 0.359 19397 176 1 2 . 1 1 14 14 THR N N 14 121.214 121.214 118.352 2.862 19397 177 1 2 . 1 1 14 14 THR HA H 14 5.262 5.262 4.532 0.730 19397 178 1 2 . 1 1 14 14 THR H H 14 8.273 8.273 8.109 0.164 19397 179 1 2 . 1 1 16 16 ASP N N 16 122.962 122.962 125.825 -2.863 19397 180 1 2 . 1 1 16 16 ASP HA H 16 4.621 4.621 4.700 -0.080 19397 181 1 2 . 1 1 16 16 ASP H H 16 8.719 8.719 8.055 0.664 19397 182 1 2 . 1 1 17 17 ALA N N 17 118.368 118.368 122.180 -3.812 19397 183 1 2 . 1 1 17 17 ALA HA H 17 5.131 5.131 4.580 0.551 19397 184 1 2 . 1 1 17 17 ALA H H 17 8.670 8.670 8.306 0.364 19397 185 1 2 . 1 1 18 18 ASN N N 18 123.103 123.103 118.958 4.145 19397 186 1 2 . 1 1 20 20 TYR N N 20 128.229 128.229 123.623 4.606 19397 187 1 2 . 1 1 20 20 TYR HA H 20 4.588 4.588 4.624 -0.036 19397 188 1 2 . 1 1 20 20 TYR H H 20 7.004 7.004 8.296 -1.292 19397 189 1 2 . 1 1 21 21 ASP HA H 21 4.671 4.671 5.025 -0.354 19397 190 1 2 . 1 1 21 21 ASP H H 21 7.590 7.590 8.123 -0.533 19397 191 1 2 . 1 1 23 23 VAL N N 23 123.649 123.649 119.848 3.801 19397 192 1 2 . 1 1 23 23 VAL HA H 23 3.415 3.415 3.951 -0.536 19397 193 1 2 . 1 1 23 23 VAL H H 23 8.753 8.753 7.885 0.868 19397 194 1 2 . 1 1 25 25 LYS N N 25 119.120 119.120 119.432 -0.312 19397 195 1 2 . 1 1 25 25 LYS HA H 25 3.871 3.871 4.007 -0.136 19397 196 1 2 . 1 1 25 25 LYS H H 25 7.760 7.760 7.489 0.271 19397 197 1 2 . 1 1 26 26 ILE N N 26 117.483 117.483 120.076 -2.593 19397 198 1 2 . 1 1 26 26 ILE HA H 26 3.508 3.508 3.894 -0.386 19397 199 1 2 . 1 1 26 26 ILE H H 26 7.324 7.324 7.722 -0.398 19397 200 1 2 . 1 1 27 27 LYS N N 27 119.349 119.349 118.895 0.454 19397 201 1 2 . 1 1 27 27 LYS HA H 27 4.400 4.400 4.061 0.339 19397 202 1 2 . 1 1 27 27 LYS H H 27 7.665 7.665 8.232 -0.567 19397 203 1 2 . 1 1 28 28 GLU N N 28 121.785 121.785 118.187 3.598 19397 204 1 2 . 1 1 28 28 GLU HA H 28 3.770 3.770 4.064 -0.294 19397 205 1 2 . 1 1 28 28 GLU H H 28 8.379 8.379 7.838 0.541 19397 206 1 2 . 1 1 29 29 HIS N N 29 122.422 122.422 115.514 6.908 19397 207 1 2 . 1 1 29 29 HIS HA H 29 4.203 4.203 4.414 -0.211 19397 208 1 2 . 1 1 29 29 HIS H H 29 7.590 7.590 7.631 -0.041 19397 209 1 2 . 1 1 30 30 VAL N N 30 121.437 121.437 116.516 4.921 19397 210 1 2 . 1 1 30 30 VAL HA H 30 3.477 3.477 4.061 -0.584 19397 211 1 2 . 1 1 30 30 VAL H H 30 8.412 8.412 7.280 1.132 19397 212 1 2 . 1 1 32 32 SER N N 32 121.037 121.037 118.490 2.547 19397 213 1 2 . 1 1 33 33 LYS N N 33 125.831 125.831 117.840 7.991 19397 214 1 2 . 1 1 33 33 LYS HA H 33 3.757 3.757 4.343 -0.586 19397 215 1 2 . 1 1 33 33 LYS H H 33 8.918 8.918 8.259 0.659 19397 216 1 2 . 1 1 34 34 THR N N 34 116.691 116.691 112.326 4.365 19397 217 1 2 . 1 1 34 34 THR HA H 34 4.111 4.111 4.072 0.039 19397 218 1 2 . 1 1 34 34 THR H H 34 7.961 7.961 7.963 -0.002 19397 219 1 2 . 1 1 35 35 LYS N N 35 117.623 117.623 119.404 -1.781 19397 220 1 2 . 1 1 35 35 LYS HA H 35 4.352 4.352 4.216 0.136 19397 221 1 2 . 1 1 35 35 LYS H H 35 7.064 7.064 8.060 -0.996 19397 222 1 2 . 1 1 36 36 VAL N N 36 125.248 125.248 120.883 4.365 19397 223 1 2 . 1 1 36 36 VAL HA H 36 3.770 3.770 4.157 -0.387 19397 224 1 2 . 1 1 36 36 VAL H H 36 7.918 7.918 7.502 0.416 19397 225 1 2 . 1 1 38 38 VAL HA H 38 4.078 4.078 4.385 -0.307 19397 226 1 2 . 1 1 38 38 VAL H H 38 8.409 8.409 7.398 1.011 19397 227 1 2 . 1 1 39 39 GLN N N 39 115.805 115.805 126.443 -10.638 19397 228 1 2 . 1 1 39 39 GLN HA H 39 4.162 4.162 4.160 0.002 19397 229 1 2 . 1 1 39 39 GLN H H 39 8.793 8.793 8.404 0.389 19397 230 1 2 . 1 1 40 40 ASP N N 40 120.069 120.069 114.050 6.019 19397 231 1 2 . 1 1 40 40 ASP HA H 40 4.769 4.769 4.959 -0.190 19397 232 1 2 . 1 1 40 40 ASP H H 40 7.590 7.590 8.392 -0.802 19397 233 1 2 . 1 1 41 41 GLN N N 41 117.974 117.974 120.119 -2.145 19397 234 1 2 . 1 1 41 41 GLN HA H 41 4.453 4.453 4.626 -0.173 19397 235 1 2 . 1 1 41 41 GLN H H 41 7.046 7.046 7.836 -0.790 19397 236 1 2 . 1 1 42 42 VAL N N 42 123.686 123.686 120.226 3.460 19397 237 1 2 . 1 1 42 42 VAL HA H 42 4.175 4.175 4.622 -0.447 19397 238 1 2 . 1 1 42 42 VAL H H 42 8.842 8.842 8.511 0.331 19397 239 1 2 . 1 1 43 43 LEU N N 43 126.600 126.600 121.913 4.687 19397 240 1 2 . 1 1 43 43 LEU HA H 43 5.450 5.450 4.749 0.701 19397 241 1 2 . 1 1 43 43 LEU H H 43 9.208 9.208 7.925 1.283 19397 242 1 2 . 1 1 44 44 LEU N N 44 120.515 120.515 121.247 -0.732 19397 243 1 2 . 1 1 44 44 LEU HA H 44 5.178 5.178 5.013 0.165 19397 244 1 2 . 1 1 44 44 LEU H H 44 9.107 9.107 8.532 0.575 19397 245 1 2 . 1 1 45 45 LEU N N 45 124.199 124.199 125.104 -0.905 19397 246 1 2 . 1 1 45 45 LEU HA H 45 4.706 4.706 4.675 0.031 19397 247 1 2 . 1 1 45 45 LEU H H 45 8.551 8.551 8.533 0.018 19397 248 1 2 . 1 1 48 48 LYS N N 48 124.618 124.618 116.657 7.961 19397 249 1 2 . 1 1 48 48 LYS HA H 48 4.339 4.339 4.583 -0.244 19397 250 1 2 . 1 1 48 48 LYS H H 48 7.982 7.982 7.524 0.458 19397 251 1 2 . 1 1 49 49 ILE N N 49 126.507 126.507 120.785 5.722 19397 252 1 2 . 1 1 49 49 ILE HA H 49 4.018 4.018 4.678 -0.660 19397 253 1 2 . 1 1 49 49 ILE H H 49 8.399 8.399 8.435 -0.036 19397 254 1 2 . 1 1 50 50 LEU N N 50 128.139 128.139 127.883 0.256 19397 255 1 2 . 1 1 50 50 LEU HA H 50 4.126 4.126 4.522 -0.396 19397 256 1 2 . 1 1 50 50 LEU H H 50 8.652 8.652 8.548 0.104 19397 257 1 2 . 1 1 51 51 LYS N N 51 123.009 123.009 121.873 1.136 19397 258 1 2 . 1 1 51 51 LYS HA H 51 4.714 4.714 4.805 -0.091 19397 259 1 2 . 1 1 51 51 LYS H H 51 8.132 8.132 8.422 -0.290 19397 260 1 2 . 1 1 56 56 LEU N N 56 123.359 123.359 121.492 1.867 19397 261 1 2 . 1 1 56 56 LEU HA H 56 4.188 4.188 4.390 -0.202 19397 262 1 2 . 1 1 56 56 LEU H H 56 8.627 8.627 8.157 0.470 19397 263 1 2 . 1 1 57 57 SER N N 57 113.706 113.706 113.689 0.017 19397 264 1 2 . 1 1 57 57 SER HA H 57 4.265 4.265 4.699 -0.434 19397 265 1 2 . 1 1 57 57 SER H H 57 8.719 8.719 7.701 1.018 19397 266 1 2 . 1 1 59 59 TYR N N 59 120.883 120.883 119.314 1.569 19397 267 1 2 . 1 1 59 59 TYR HA H 59 4.536 4.536 4.612 -0.076 19397 268 1 2 . 1 1 59 59 TYR H H 59 7.737 7.737 7.998 -0.261 19397 269 1 2 . 1 1 61 61 ILE N N 61 117.591 117.591 118.097 -0.506 19397 270 1 2 . 1 1 61 61 ILE HA H 61 4.099 4.099 4.698 -0.599 19397 271 1 2 . 1 1 61 61 ILE H H 61 6.997 6.997 7.831 -0.834 19397 272 1 2 . 1 1 64 64 GLU N N 64 126.670 126.670 120.479 6.191 19397 273 1 2 . 1 1 64 64 GLU HA H 64 4.559 4.559 4.445 0.114 19397 274 1 2 . 1 1 64 64 GLU H H 64 8.132 8.132 8.462 -0.330 19397 275 1 2 . 1 1 67 67 ILE N N 67 121.803 121.803 116.737 5.066 19397 276 1 2 . 1 1 67 67 ILE HA H 67 4.497 4.497 4.440 0.057 19397 277 1 2 . 1 1 67 67 ILE H H 67 8.488 8.488 8.420 0.068 19397 278 1 2 . 1 1 68 68 HIS N N 68 124.455 124.455 123.884 0.571 19397 279 1 2 . 1 1 68 68 HIS HA H 68 5.131 5.131 5.647 -0.516 19397 280 1 2 . 1 1 68 68 HIS H H 68 8.425 8.425 8.426 -0.001 19397 281 1 2 . 1 1 69 69 LEU N N 69 122.823 122.823 123.705 -0.882 19397 282 1 2 . 1 1 69 69 LEU HA H 69 5.317 5.317 5.119 0.198 19397 283 1 2 . 1 1 69 69 LEU H H 69 9.322 9.322 8.755 0.567 19397 284 1 2 . 1 1 70 70 THR N N 70 118.743 118.743 111.078 7.665 19397 285 1 2 . 1 1 70 70 THR HA H 70 5.009 5.009 4.899 0.110 19397 286 1 2 . 1 1 70 70 THR H H 70 9.107 9.107 8.117 0.990 19397 287 1 2 . 1 1 71 71 LEU N N 71 126.880 126.880 119.892 6.988 19397 288 1 2 . 1 1 71 71 LEU HA H 71 5.363 5.363 4.840 0.523 19397 289 1 2 . 1 1 71 71 LEU H H 71 8.829 8.829 8.049 0.780 19397 290 1 2 . 1 1 72 72 LYS N N 72 128.792 128.792 119.926 8.866 19397 291 1 2 . 1 1 72 72 LYS HA H 72 4.683 4.683 4.720 -0.037 19397 292 1 2 . 1 1 72 72 LYS H H 72 9.570 9.570 8.744 0.826 19397 293 1 2 . 1 1 73 73 VAL N N 73 120.771 120.771 122.679 -1.908 19397 294 1 2 . 1 1 73 73 VAL HA H 73 4.807 4.807 4.665 0.142 19397 295 1 2 . 1 1 73 73 VAL H H 73 8.488 8.488 8.533 -0.045 19397 296 1 2 . 1 1 74 74 VAL N N 74 127.859 127.859 122.487 5.372 19397 297 1 2 . 1 1 74 74 VAL HA H 74 3.956 3.956 4.602 -0.646 19397 298 1 2 . 1 1 74 74 VAL H H 74 8.715 8.715 8.373 0.342 19397 299 1 3 . 1 1 2 2 CYS N N 2 123.896 123.896 116.951 6.945 19397 300 1 3 . 1 1 2 2 CYS HA H 2 4.643 4.643 4.849 -0.206 19397 301 1 3 . 1 1 2 2 CYS H H 2 8.271 8.271 8.448 -0.177 19397 302 1 3 . 1 1 3 3 VAL N N 3 128.209 128.209 115.923 12.286 19397 303 1 3 . 1 1 3 3 VAL HA H 3 4.225 4.225 4.585 -0.360 19397 304 1 3 . 1 1 3 3 VAL H H 3 8.930 8.930 7.924 1.006 19397 305 1 3 . 1 1 4 4 HIS N N 4 126.227 126.227 121.463 4.764 19397 306 1 3 . 1 1 4 4 HIS HA H 4 5.364 5.364 5.085 0.279 19397 307 1 3 . 1 1 4 4 HIS H H 4 8.723 8.723 8.599 0.124 19397 308 1 3 . 1 1 5 5 VAL N N 5 122.706 122.706 116.836 5.870 19397 309 1 3 . 1 1 5 5 VAL HA H 5 4.636 4.636 5.049 -0.413 19397 310 1 3 . 1 1 5 5 VAL H H 5 9.400 9.400 8.404 0.996 19397 311 1 3 . 1 1 6 6 ARG N N 6 130.121 130.121 124.112 6.009 19397 312 1 3 . 1 1 6 6 ARG HA H 6 4.992 4.992 4.671 0.321 19397 313 1 3 . 1 1 6 6 ARG H H 6 8.874 8.874 8.421 0.453 19397 314 1 3 . 1 1 7 7 SER N N 7 117.297 117.297 113.588 3.709 19397 315 1 3 . 1 1 7 7 SER HA H 7 5.085 5.085 4.276 0.809 19397 316 1 3 . 1 1 7 7 SER H H 7 8.936 8.936 8.440 0.496 19397 317 1 3 . 1 1 10 10 TRP HA H 10 4.745 4.745 5.051 -0.306 19397 318 1 3 . 1 1 10 10 TRP H H 10 7.235 7.235 8.548 -1.313 19397 319 1 3 . 1 1 11 11 ASP N N 11 117.787 117.787 119.463 -1.676 19397 320 1 3 . 1 1 11 11 ASP HA H 11 4.791 4.791 4.685 0.106 19397 321 1 3 . 1 1 11 11 ASP H H 11 7.665 7.665 7.103 0.562 19397 322 1 3 . 1 1 13 13 MET N N 13 122.940 122.940 116.780 6.160 19397 323 1 3 . 1 1 13 13 MET HA H 13 4.858 4.858 4.967 -0.109 19397 324 1 3 . 1 1 13 13 MET H H 13 8.827 8.827 8.351 0.476 19397 325 1 3 . 1 1 14 14 THR N N 14 121.214 121.214 114.260 6.954 19397 326 1 3 . 1 1 14 14 THR HA H 14 5.262 5.262 4.550 0.712 19397 327 1 3 . 1 1 14 14 THR H H 14 8.273 8.273 8.187 0.086 19397 328 1 3 . 1 1 16 16 ASP N N 16 122.962 122.962 125.215 -2.253 19397 329 1 3 . 1 1 16 16 ASP HA H 16 4.621 4.621 4.707 -0.086 19397 330 1 3 . 1 1 16 16 ASP H H 16 8.719 8.719 7.764 0.955 19397 331 1 3 . 1 1 17 17 ALA N N 17 118.368 118.368 123.511 -5.143 19397 332 1 3 . 1 1 17 17 ALA HA H 17 5.131 5.131 4.596 0.535 19397 333 1 3 . 1 1 17 17 ALA H H 17 8.670 8.670 8.198 0.472 19397 334 1 3 . 1 1 18 18 ASN N N 18 123.103 123.103 121.590 1.513 19397 335 1 3 . 1 1 20 20 TYR N N 20 128.229 128.229 123.709 4.520 19397 336 1 3 . 1 1 20 20 TYR HA H 20 4.588 4.588 4.560 0.028 19397 337 1 3 . 1 1 20 20 TYR H H 20 7.004 7.004 8.454 -1.450 19397 338 1 3 . 1 1 21 21 ASP HA H 21 4.671 4.671 4.967 -0.296 19397 339 1 3 . 1 1 21 21 ASP H H 21 7.590 7.590 7.971 -0.381 19397 340 1 3 . 1 1 23 23 VAL N N 23 123.649 123.649 118.418 5.231 19397 341 1 3 . 1 1 23 23 VAL HA H 23 3.415 3.415 4.030 -0.615 19397 342 1 3 . 1 1 23 23 VAL H H 23 8.753 8.753 8.001 0.752 19397 343 1 3 . 1 1 25 25 LYS N N 25 119.120 119.120 119.180 -0.060 19397 344 1 3 . 1 1 25 25 LYS HA H 25 3.871 3.871 4.062 -0.191 19397 345 1 3 . 1 1 25 25 LYS H H 25 7.760 7.760 7.485 0.275 19397 346 1 3 . 1 1 26 26 ILE N N 26 117.483 117.483 120.183 -2.700 19397 347 1 3 . 1 1 26 26 ILE HA H 26 3.508 3.508 3.926 -0.418 19397 348 1 3 . 1 1 26 26 ILE H H 26 7.324 7.324 7.516 -0.192 19397 349 1 3 . 1 1 27 27 LYS N N 27 119.349 119.349 119.513 -0.164 19397 350 1 3 . 1 1 27 27 LYS HA H 27 4.400 4.400 4.055 0.345 19397 351 1 3 . 1 1 27 27 LYS H H 27 7.665 7.665 8.148 -0.483 19397 352 1 3 . 1 1 28 28 GLU N N 28 121.785 121.785 117.333 4.452 19397 353 1 3 . 1 1 28 28 GLU HA H 28 3.770 3.770 4.105 -0.335 19397 354 1 3 . 1 1 28 28 GLU H H 28 8.379 8.379 7.778 0.601 19397 355 1 3 . 1 1 29 29 HIS N N 29 122.422 122.422 115.654 6.768 19397 356 1 3 . 1 1 29 29 HIS HA H 29 4.203 4.203 4.396 -0.193 19397 357 1 3 . 1 1 29 29 HIS H H 29 7.590 7.590 7.601 -0.011 19397 358 1 3 . 1 1 30 30 VAL N N 30 121.437 121.437 115.422 6.015 19397 359 1 3 . 1 1 30 30 VAL HA H 30 3.477 3.477 3.891 -0.414 19397 360 1 3 . 1 1 30 30 VAL H H 30 8.412 8.412 7.247 1.165 19397 361 1 3 . 1 1 32 32 SER N N 32 121.037 121.037 118.930 2.107 19397 362 1 3 . 1 1 33 33 LYS N N 33 125.831 125.831 117.049 8.782 19397 363 1 3 . 1 1 33 33 LYS HA H 33 3.757 3.757 4.466 -0.709 19397 364 1 3 . 1 1 33 33 LYS H H 33 8.918 8.918 8.312 0.606 19397 365 1 3 . 1 1 34 34 THR N N 34 116.691 116.691 113.520 3.171 19397 366 1 3 . 1 1 34 34 THR HA H 34 4.111 4.111 4.081 0.030 19397 367 1 3 . 1 1 34 34 THR H H 34 7.961 7.961 7.402 0.559 19397 368 1 3 . 1 1 35 35 LYS N N 35 117.623 117.623 119.424 -1.801 19397 369 1 3 . 1 1 35 35 LYS HA H 35 4.352 4.352 4.222 0.130 19397 370 1 3 . 1 1 35 35 LYS H H 35 7.064 7.064 8.114 -1.050 19397 371 1 3 . 1 1 36 36 VAL N N 36 125.248 125.248 120.087 5.161 19397 372 1 3 . 1 1 36 36 VAL HA H 36 3.770 3.770 4.356 -0.586 19397 373 1 3 . 1 1 36 36 VAL H H 36 7.918 7.918 7.498 0.420 19397 374 1 3 . 1 1 38 38 VAL HA H 38 4.078 4.078 4.208 -0.130 19397 375 1 3 . 1 1 38 38 VAL H H 38 8.409 8.409 7.397 1.012 19397 376 1 3 . 1 1 39 39 GLN N N 39 115.805 115.805 126.566 -10.761 19397 377 1 3 . 1 1 39 39 GLN HA H 39 4.162 4.162 4.227 -0.065 19397 378 1 3 . 1 1 39 39 GLN H H 39 8.793 8.793 8.506 0.287 19397 379 1 3 . 1 1 40 40 ASP N N 40 120.069 120.069 114.707 5.362 19397 380 1 3 . 1 1 40 40 ASP HA H 40 4.769 4.769 5.120 -0.351 19397 381 1 3 . 1 1 40 40 ASP H H 40 7.590 7.590 8.369 -0.779 19397 382 1 3 . 1 1 41 41 GLN N N 41 117.974 117.974 119.167 -1.193 19397 383 1 3 . 1 1 41 41 GLN HA H 41 4.453 4.453 4.529 -0.076 19397 384 1 3 . 1 1 41 41 GLN H H 41 7.046 7.046 8.000 -0.954 19397 385 1 3 . 1 1 42 42 VAL N N 42 123.686 123.686 120.340 3.346 19397 386 1 3 . 1 1 42 42 VAL HA H 42 4.175 4.175 4.587 -0.412 19397 387 1 3 . 1 1 42 42 VAL H H 42 8.842 8.842 8.413 0.429 19397 388 1 3 . 1 1 43 43 LEU N N 43 126.600 126.600 123.365 3.235 19397 389 1 3 . 1 1 43 43 LEU HA H 43 5.450 5.450 4.724 0.726 19397 390 1 3 . 1 1 43 43 LEU H H 43 9.208 9.208 8.488 0.720 19397 391 1 3 . 1 1 44 44 LEU N N 44 120.515 120.515 123.738 -3.223 19397 392 1 3 . 1 1 44 44 LEU HA H 44 5.178 5.178 5.146 0.032 19397 393 1 3 . 1 1 44 44 LEU H H 44 9.107 9.107 8.185 0.922 19397 394 1 3 . 1 1 45 45 LEU N N 45 124.199 124.199 123.356 0.843 19397 395 1 3 . 1 1 45 45 LEU HA H 45 4.706 4.706 4.617 0.089 19397 396 1 3 . 1 1 45 45 LEU H H 45 8.551 8.551 8.325 0.226 19397 397 1 3 . 1 1 48 48 LYS N N 48 124.618 124.618 117.436 7.182 19397 398 1 3 . 1 1 48 48 LYS HA H 48 4.339 4.339 4.536 -0.197 19397 399 1 3 . 1 1 48 48 LYS H H 48 7.982 7.982 7.540 0.442 19397 400 1 3 . 1 1 49 49 ILE N N 49 126.507 126.507 120.882 5.625 19397 401 1 3 . 1 1 49 49 ILE HA H 49 4.018 4.018 4.593 -0.575 19397 402 1 3 . 1 1 49 49 ILE H H 49 8.399 8.399 8.294 0.105 19397 403 1 3 . 1 1 50 50 LEU N N 50 128.139 128.139 129.344 -1.205 19397 404 1 3 . 1 1 50 50 LEU HA H 50 4.126 4.126 4.522 -0.396 19397 405 1 3 . 1 1 50 50 LEU H H 50 8.652 8.652 8.629 0.023 19397 406 1 3 . 1 1 51 51 LYS N N 51 123.009 123.009 122.696 0.313 19397 407 1 3 . 1 1 51 51 LYS HA H 51 4.714 4.714 4.702 0.012 19397 408 1 3 . 1 1 51 51 LYS H H 51 8.132 8.132 8.437 -0.305 19397 409 1 3 . 1 1 56 56 LEU N N 56 123.359 123.359 115.077 8.282 19397 410 1 3 . 1 1 56 56 LEU HA H 56 4.188 4.188 4.587 -0.399 19397 411 1 3 . 1 1 56 56 LEU H H 56 8.627 8.627 7.940 0.687 19397 412 1 3 . 1 1 57 57 SER N N 57 113.706 113.706 115.008 -1.302 19397 413 1 3 . 1 1 57 57 SER HA H 57 4.265 4.265 4.129 0.136 19397 414 1 3 . 1 1 57 57 SER H H 57 8.719 8.719 8.365 0.354 19397 415 1 3 . 1 1 59 59 TYR N N 59 120.883 120.883 121.788 -0.905 19397 416 1 3 . 1 1 59 59 TYR HA H 59 4.536 4.536 4.446 0.090 19397 417 1 3 . 1 1 59 59 TYR H H 59 7.737 7.737 7.735 0.002 19397 418 1 3 . 1 1 61 61 ILE N N 61 117.591 117.591 117.465 0.126 19397 419 1 3 . 1 1 61 61 ILE HA H 61 4.099 4.099 4.520 -0.421 19397 420 1 3 . 1 1 61 61 ILE H H 61 6.997 6.997 7.953 -0.956 19397 421 1 3 . 1 1 64 64 GLU N N 64 126.670 126.670 122.334 4.336 19397 422 1 3 . 1 1 64 64 GLU HA H 64 4.559 4.559 4.483 0.076 19397 423 1 3 . 1 1 64 64 GLU H H 64 8.132 8.132 8.593 -0.461 19397 424 1 3 . 1 1 67 67 ILE N N 67 121.803 121.803 118.274 3.529 19397 425 1 3 . 1 1 67 67 ILE HA H 67 4.497 4.497 4.448 0.049 19397 426 1 3 . 1 1 67 67 ILE H H 67 8.488 8.488 7.823 0.665 19397 427 1 3 . 1 1 68 68 HIS N N 68 124.455 124.455 123.988 0.467 19397 428 1 3 . 1 1 68 68 HIS HA H 68 5.131 5.131 5.207 -0.076 19397 429 1 3 . 1 1 68 68 HIS H H 68 8.425 8.425 8.378 0.047 19397 430 1 3 . 1 1 69 69 LEU N N 69 122.823 122.823 125.241 -2.418 19397 431 1 3 . 1 1 69 69 LEU HA H 69 5.317 5.317 4.723 0.594 19397 432 1 3 . 1 1 69 69 LEU H H 69 9.322 9.322 8.711 0.610 19397 433 1 3 . 1 1 70 70 THR N N 70 118.743 118.743 111.800 6.943 19397 434 1 3 . 1 1 70 70 THR HA H 70 5.009 5.009 4.630 0.379 19397 435 1 3 . 1 1 70 70 THR H H 70 9.107 9.107 8.113 0.994 19397 436 1 3 . 1 1 71 71 LEU N N 71 126.880 126.880 121.926 4.954 19397 437 1 3 . 1 1 71 71 LEU HA H 71 5.363 5.363 4.664 0.699 19397 438 1 3 . 1 1 71 71 LEU H H 71 8.829 8.829 8.158 0.671 19397 439 1 3 . 1 1 72 72 LYS N N 72 128.792 128.792 122.460 6.332 19397 440 1 3 . 1 1 72 72 LYS HA H 72 4.683 4.683 4.789 -0.106 19397 441 1 3 . 1 1 72 72 LYS H H 72 9.570 9.570 8.792 0.778 19397 442 1 3 . 1 1 73 73 VAL N N 73 120.771 120.771 122.544 -1.773 19397 443 1 3 . 1 1 73 73 VAL HA H 73 4.807 4.807 4.846 -0.039 19397 444 1 3 . 1 1 73 73 VAL H H 73 8.488 8.488 8.454 0.034 19397 445 1 3 . 1 1 74 74 VAL N N 74 127.859 127.859 125.835 2.024 19397 446 1 3 . 1 1 74 74 VAL HA H 74 3.956 3.956 4.471 -0.515 19397 447 1 3 . 1 1 74 74 VAL H H 74 8.715 8.715 8.398 0.317 19397 448 1 4 . 1 1 2 2 CYS N N 2 123.896 123.896 117.105 6.791 19397 449 1 4 . 1 1 2 2 CYS HA H 2 4.643 4.643 4.913 -0.270 19397 450 1 4 . 1 1 2 2 CYS H H 2 8.271 8.271 8.537 -0.266 19397 451 1 4 . 1 1 3 3 VAL N N 3 128.209 128.209 117.309 10.900 19397 452 1 4 . 1 1 3 3 VAL HA H 3 4.225 4.225 4.407 -0.182 19397 453 1 4 . 1 1 3 3 VAL H H 3 8.930 8.930 7.975 0.955 19397 454 1 4 . 1 1 4 4 HIS N N 4 126.227 126.227 121.293 4.934 19397 455 1 4 . 1 1 4 4 HIS HA H 4 5.364 5.364 5.115 0.249 19397 456 1 4 . 1 1 4 4 HIS H H 4 8.723 8.723 8.460 0.263 19397 457 1 4 . 1 1 5 5 VAL N N 5 122.706 122.706 115.463 7.243 19397 458 1 4 . 1 1 5 5 VAL HA H 5 4.636 4.636 4.729 -0.093 19397 459 1 4 . 1 1 5 5 VAL H H 5 9.400 9.400 8.510 0.890 19397 460 1 4 . 1 1 6 6 ARG N N 6 130.121 130.121 124.087 6.034 19397 461 1 4 . 1 1 6 6 ARG HA H 6 4.992 4.992 4.836 0.156 19397 462 1 4 . 1 1 6 6 ARG H H 6 8.874 8.874 8.292 0.582 19397 463 1 4 . 1 1 7 7 SER N N 7 117.297 117.297 115.531 1.766 19397 464 1 4 . 1 1 7 7 SER HA H 7 5.085 5.085 4.237 0.848 19397 465 1 4 . 1 1 7 7 SER H H 7 8.936 8.936 8.544 0.392 19397 466 1 4 . 1 1 10 10 TRP HA H 10 4.745 4.745 4.806 -0.061 19397 467 1 4 . 1 1 10 10 TRP H H 10 7.235 7.235 8.312 -1.077 19397 468 1 4 . 1 1 11 11 ASP N N 11 117.787 117.787 119.406 -1.619 19397 469 1 4 . 1 1 11 11 ASP HA H 11 4.791 4.791 4.961 -0.170 19397 470 1 4 . 1 1 11 11 ASP H H 11 7.665 7.665 7.862 -0.197 19397 471 1 4 . 1 1 13 13 MET N N 13 122.940 122.940 116.632 6.308 19397 472 1 4 . 1 1 13 13 MET HA H 13 4.858 4.858 4.873 -0.015 19397 473 1 4 . 1 1 13 13 MET H H 13 8.827 8.827 8.425 0.402 19397 474 1 4 . 1 1 14 14 THR N N 14 121.214 121.214 114.019 7.195 19397 475 1 4 . 1 1 14 14 THR HA H 14 5.262 5.262 4.466 0.796 19397 476 1 4 . 1 1 14 14 THR H H 14 8.273 8.273 8.152 0.121 19397 477 1 4 . 1 1 16 16 ASP N N 16 122.962 122.962 126.821 -3.859 19397 478 1 4 . 1 1 16 16 ASP HA H 16 4.621 4.621 4.807 -0.186 19397 479 1 4 . 1 1 16 16 ASP H H 16 8.719 8.719 7.728 0.991 19397 480 1 4 . 1 1 17 17 ALA N N 17 118.368 118.368 121.064 -2.696 19397 481 1 4 . 1 1 17 17 ALA HA H 17 5.131 5.131 4.576 0.555 19397 482 1 4 . 1 1 17 17 ALA H H 17 8.670 8.670 8.157 0.513 19397 483 1 4 . 1 1 18 18 ASN N N 18 123.103 123.103 117.106 5.997 19397 484 1 4 . 1 1 20 20 TYR N N 20 128.229 128.229 122.859 5.370 19397 485 1 4 . 1 1 20 20 TYR HA H 20 4.588 4.588 4.657 -0.069 19397 486 1 4 . 1 1 20 20 TYR H H 20 7.004 7.004 7.854 -0.850 19397 487 1 4 . 1 1 21 21 ASP HA H 21 4.671 4.671 4.905 -0.234 19397 488 1 4 . 1 1 21 21 ASP H H 21 7.590 7.590 8.540 -0.950 19397 489 1 4 . 1 1 23 23 VAL N N 23 123.649 123.649 121.382 2.267 19397 490 1 4 . 1 1 23 23 VAL HA H 23 3.415 3.415 3.907 -0.492 19397 491 1 4 . 1 1 23 23 VAL H H 23 8.753 8.753 8.133 0.620 19397 492 1 4 . 1 1 25 25 LYS N N 25 119.120 119.120 119.621 -0.501 19397 493 1 4 . 1 1 25 25 LYS HA H 25 3.871 3.871 4.040 -0.169 19397 494 1 4 . 1 1 25 25 LYS H H 25 7.760 7.760 7.462 0.298 19397 495 1 4 . 1 1 26 26 ILE N N 26 117.483 117.483 119.777 -2.294 19397 496 1 4 . 1 1 26 26 ILE HA H 26 3.508 3.508 3.902 -0.394 19397 497 1 4 . 1 1 26 26 ILE H H 26 7.324 7.324 7.509 -0.185 19397 498 1 4 . 1 1 27 27 LYS N N 27 119.349 119.349 119.782 -0.433 19397 499 1 4 . 1 1 27 27 LYS HA H 27 4.400 4.400 4.071 0.329 19397 500 1 4 . 1 1 27 27 LYS H H 27 7.665 7.665 8.220 -0.555 19397 501 1 4 . 1 1 28 28 GLU N N 28 121.785 121.785 116.983 4.802 19397 502 1 4 . 1 1 28 28 GLU HA H 28 3.770 3.770 4.163 -0.393 19397 503 1 4 . 1 1 28 28 GLU H H 28 8.379 8.379 7.910 0.469 19397 504 1 4 . 1 1 29 29 HIS N N 29 122.422 122.422 116.467 5.955 19397 505 1 4 . 1 1 29 29 HIS HA H 29 4.203 4.203 4.437 -0.234 19397 506 1 4 . 1 1 29 29 HIS H H 29 7.590 7.590 7.592 -0.002 19397 507 1 4 . 1 1 30 30 VAL N N 30 121.437 121.437 115.569 5.868 19397 508 1 4 . 1 1 30 30 VAL HA H 30 3.477 3.477 3.989 -0.512 19397 509 1 4 . 1 1 30 30 VAL H H 30 8.412 8.412 7.260 1.152 19397 510 1 4 . 1 1 32 32 SER N N 32 121.037 121.037 119.135 1.902 19397 511 1 4 . 1 1 33 33 LYS N N 33 125.831 125.831 116.896 8.935 19397 512 1 4 . 1 1 33 33 LYS HA H 33 3.757 3.757 4.532 -0.775 19397 513 1 4 . 1 1 33 33 LYS H H 33 8.918 8.918 8.337 0.581 19397 514 1 4 . 1 1 34 34 THR N N 34 116.691 116.691 113.150 3.541 19397 515 1 4 . 1 1 34 34 THR HA H 34 4.111 4.111 4.146 -0.035 19397 516 1 4 . 1 1 34 34 THR H H 34 7.961 7.961 7.576 0.385 19397 517 1 4 . 1 1 35 35 LYS N N 35 117.623 117.623 119.667 -2.044 19397 518 1 4 . 1 1 35 35 LYS HA H 35 4.352 4.352 4.219 0.133 19397 519 1 4 . 1 1 35 35 LYS H H 35 7.064 7.064 8.102 -1.038 19397 520 1 4 . 1 1 36 36 VAL N N 36 125.248 125.248 120.372 4.876 19397 521 1 4 . 1 1 36 36 VAL HA H 36 3.770 3.770 4.323 -0.553 19397 522 1 4 . 1 1 36 36 VAL H H 36 7.918 7.918 7.531 0.387 19397 523 1 4 . 1 1 38 38 VAL HA H 38 4.078 4.078 4.251 -0.173 19397 524 1 4 . 1 1 38 38 VAL H H 38 8.409 8.409 7.513 0.896 19397 525 1 4 . 1 1 39 39 GLN N N 39 115.805 115.805 126.339 -10.534 19397 526 1 4 . 1 1 39 39 GLN HA H 39 4.162 4.162 4.226 -0.064 19397 527 1 4 . 1 1 39 39 GLN H H 39 8.793 8.793 8.470 0.323 19397 528 1 4 . 1 1 40 40 ASP N N 40 120.069 120.069 115.390 4.679 19397 529 1 4 . 1 1 40 40 ASP HA H 40 4.769 4.769 5.006 -0.237 19397 530 1 4 . 1 1 40 40 ASP H H 40 7.590 7.590 8.316 -0.726 19397 531 1 4 . 1 1 41 41 GLN N N 41 117.974 117.974 118.794 -0.820 19397 532 1 4 . 1 1 41 41 GLN HA H 41 4.453 4.453 4.598 -0.145 19397 533 1 4 . 1 1 41 41 GLN H H 41 7.046 7.046 7.787 -0.741 19397 534 1 4 . 1 1 42 42 VAL N N 42 123.686 123.686 120.997 2.689 19397 535 1 4 . 1 1 42 42 VAL HA H 42 4.175 4.175 4.617 -0.442 19397 536 1 4 . 1 1 42 42 VAL H H 42 8.842 8.842 8.645 0.197 19397 537 1 4 . 1 1 43 43 LEU N N 43 126.600 126.600 122.440 4.160 19397 538 1 4 . 1 1 43 43 LEU HA H 43 5.450 5.450 4.686 0.764 19397 539 1 4 . 1 1 43 43 LEU H H 43 9.208 9.208 7.955 1.253 19397 540 1 4 . 1 1 44 44 LEU N N 44 120.515 120.515 120.655 -0.140 19397 541 1 4 . 1 1 44 44 LEU HA H 44 5.178 5.178 5.190 -0.012 19397 542 1 4 . 1 1 44 44 LEU H H 44 9.107 9.107 8.257 0.850 19397 543 1 4 . 1 1 45 45 LEU N N 45 124.199 124.199 122.807 1.392 19397 544 1 4 . 1 1 45 45 LEU HA H 45 4.706 4.706 4.584 0.122 19397 545 1 4 . 1 1 45 45 LEU H H 45 8.551 8.551 8.622 -0.071 19397 546 1 4 . 1 1 48 48 LYS N N 48 124.618 124.618 118.693 5.925 19397 547 1 4 . 1 1 48 48 LYS HA H 48 4.339 4.339 4.740 -0.401 19397 548 1 4 . 1 1 48 48 LYS H H 48 7.982 7.982 7.268 0.714 19397 549 1 4 . 1 1 49 49 ILE N N 49 126.507 126.507 120.608 5.899 19397 550 1 4 . 1 1 49 49 ILE HA H 49 4.018 4.018 4.744 -0.726 19397 551 1 4 . 1 1 49 49 ILE H H 49 8.399 8.399 8.521 -0.122 19397 552 1 4 . 1 1 50 50 LEU N N 50 128.139 128.139 126.054 2.085 19397 553 1 4 . 1 1 50 50 LEU HA H 50 4.126 4.126 4.427 -0.301 19397 554 1 4 . 1 1 50 50 LEU H H 50 8.652 8.652 8.394 0.258 19397 555 1 4 . 1 1 51 51 LYS N N 51 123.009 123.009 125.580 -2.571 19397 556 1 4 . 1 1 51 51 LYS HA H 51 4.714 4.714 4.396 0.318 19397 557 1 4 . 1 1 51 51 LYS H H 51 8.132 8.132 8.289 -0.157 19397 558 1 4 . 1 1 56 56 LEU N N 56 123.359 123.359 126.214 -2.855 19397 559 1 4 . 1 1 56 56 LEU HA H 56 4.188 4.188 4.442 -0.254 19397 560 1 4 . 1 1 56 56 LEU H H 56 8.627 8.627 8.578 0.049 19397 561 1 4 . 1 1 57 57 SER N N 57 113.706 113.706 112.819 0.887 19397 562 1 4 . 1 1 57 57 SER HA H 57 4.265 4.265 4.792 -0.527 19397 563 1 4 . 1 1 57 57 SER H H 57 8.719 8.719 8.168 0.551 19397 564 1 4 . 1 1 59 59 TYR N N 59 120.883 120.883 118.808 2.075 19397 565 1 4 . 1 1 59 59 TYR HA H 59 4.536 4.536 4.538 -0.002 19397 566 1 4 . 1 1 59 59 TYR H H 59 7.737 7.737 8.390 -0.653 19397 567 1 4 . 1 1 61 61 ILE N N 61 117.591 117.591 120.582 -2.991 19397 568 1 4 . 1 1 61 61 ILE HA H 61 4.099 4.099 4.217 -0.118 19397 569 1 4 . 1 1 61 61 ILE H H 61 6.997 6.997 7.304 -0.307 19397 570 1 4 . 1 1 64 64 GLU N N 64 126.670 126.670 123.540 3.130 19397 571 1 4 . 1 1 64 64 GLU HA H 64 4.559 4.559 4.408 0.151 19397 572 1 4 . 1 1 64 64 GLU H H 64 8.132 8.132 8.463 -0.331 19397 573 1 4 . 1 1 67 67 ILE N N 67 121.803 121.803 118.218 3.585 19397 574 1 4 . 1 1 67 67 ILE HA H 67 4.497 4.497 4.566 -0.069 19397 575 1 4 . 1 1 67 67 ILE H H 67 8.488 8.488 8.612 -0.124 19397 576 1 4 . 1 1 68 68 HIS N N 68 124.455 124.455 122.733 1.722 19397 577 1 4 . 1 1 68 68 HIS HA H 68 5.131 5.131 5.497 -0.366 19397 578 1 4 . 1 1 68 68 HIS H H 68 8.425 8.425 8.507 -0.082 19397 579 1 4 . 1 1 69 69 LEU N N 69 122.823 122.823 124.386 -1.563 19397 580 1 4 . 1 1 69 69 LEU HA H 69 5.317 5.317 4.948 0.369 19397 581 1 4 . 1 1 69 69 LEU H H 69 9.322 9.322 8.416 0.906 19397 582 1 4 . 1 1 70 70 THR N N 70 118.743 118.743 111.331 7.412 19397 583 1 4 . 1 1 70 70 THR HA H 70 5.009 5.009 4.593 0.416 19397 584 1 4 . 1 1 70 70 THR H H 70 9.107 9.107 7.935 1.172 19397 585 1 4 . 1 1 71 71 LEU N N 71 126.880 126.880 121.214 5.666 19397 586 1 4 . 1 1 71 71 LEU HA H 71 5.363 5.363 4.623 0.740 19397 587 1 4 . 1 1 71 71 LEU H H 71 8.829 8.829 8.215 0.614 19397 588 1 4 . 1 1 72 72 LYS N N 72 128.792 128.792 121.422 7.370 19397 589 1 4 . 1 1 72 72 LYS HA H 72 4.683 4.683 4.672 0.011 19397 590 1 4 . 1 1 72 72 LYS H H 72 9.570 9.570 8.567 1.003 19397 591 1 4 . 1 1 73 73 VAL N N 73 120.771 120.771 123.090 -2.319 19397 592 1 4 . 1 1 73 73 VAL HA H 73 4.807 4.807 4.882 -0.075 19397 593 1 4 . 1 1 73 73 VAL H H 73 8.488 8.488 8.601 -0.113 19397 594 1 4 . 1 1 74 74 VAL N N 74 127.859 127.859 125.659 2.200 19397 595 1 4 . 1 1 74 74 VAL HA H 74 3.956 3.956 4.498 -0.542 19397 596 1 4 . 1 1 74 74 VAL H H 74 8.715 8.715 8.423 0.292 19397 597 1 5 . 1 1 2 2 CYS N N 2 123.896 123.896 116.217 7.679 19397 598 1 5 . 1 1 2 2 CYS HA H 2 4.643 4.643 5.005 -0.362 19397 599 1 5 . 1 1 2 2 CYS H H 2 8.271 8.271 8.612 -0.341 19397 600 1 5 . 1 1 3 3 VAL N N 3 128.209 128.209 116.325 11.884 19397 601 1 5 . 1 1 3 3 VAL HA H 3 4.225 4.225 4.781 -0.556 19397 602 1 5 . 1 1 3 3 VAL H H 3 8.930 8.930 7.896 1.034 19397 603 1 5 . 1 1 4 4 HIS N N 4 126.227 126.227 120.600 5.627 19397 604 1 5 . 1 1 4 4 HIS HA H 4 5.364 5.364 5.036 0.328 19397 605 1 5 . 1 1 4 4 HIS H H 4 8.723 8.723 8.715 0.008 19397 606 1 5 . 1 1 5 5 VAL N N 5 122.706 122.706 116.535 6.171 19397 607 1 5 . 1 1 5 5 VAL HA H 5 4.636 4.636 5.017 -0.381 19397 608 1 5 . 1 1 5 5 VAL H H 5 9.400 9.400 8.512 0.888 19397 609 1 5 . 1 1 6 6 ARG N N 6 130.121 130.121 124.600 5.521 19397 610 1 5 . 1 1 6 6 ARG HA H 6 4.992 4.992 4.873 0.119 19397 611 1 5 . 1 1 6 6 ARG H H 6 8.874 8.874 7.957 0.917 19397 612 1 5 . 1 1 7 7 SER N N 7 117.297 117.297 117.846 -0.549 19397 613 1 5 . 1 1 7 7 SER HA H 7 5.085 5.085 4.434 0.651 19397 614 1 5 . 1 1 7 7 SER H H 7 8.936 8.936 8.258 0.678 19397 615 1 5 . 1 1 10 10 TRP HA H 10 4.745 4.745 5.025 -0.280 19397 616 1 5 . 1 1 10 10 TRP H H 10 7.235 7.235 7.598 -0.363 19397 617 1 5 . 1 1 11 11 ASP N N 11 117.787 117.787 119.317 -1.530 19397 618 1 5 . 1 1 11 11 ASP HA H 11 4.791 4.791 4.770 0.021 19397 619 1 5 . 1 1 11 11 ASP H H 11 7.665 7.665 7.463 0.202 19397 620 1 5 . 1 1 13 13 MET N N 13 122.940 122.940 118.124 4.816 19397 621 1 5 . 1 1 13 13 MET HA H 13 4.858 4.858 4.820 0.038 19397 622 1 5 . 1 1 13 13 MET H H 13 8.827 8.827 8.625 0.202 19397 623 1 5 . 1 1 14 14 THR N N 14 121.214 121.214 114.204 7.010 19397 624 1 5 . 1 1 14 14 THR HA H 14 5.262 5.262 4.507 0.755 19397 625 1 5 . 1 1 14 14 THR H H 14 8.273 8.273 8.137 0.136 19397 626 1 5 . 1 1 16 16 ASP N N 16 122.962 122.962 126.817 -3.855 19397 627 1 5 . 1 1 16 16 ASP HA H 16 4.621 4.621 4.891 -0.270 19397 628 1 5 . 1 1 16 16 ASP H H 16 8.719 8.719 8.352 0.367 19397 629 1 5 . 1 1 17 17 ALA N N 17 118.368 118.368 121.352 -2.984 19397 630 1 5 . 1 1 17 17 ALA HA H 17 5.131 5.131 4.677 0.454 19397 631 1 5 . 1 1 17 17 ALA H H 17 8.670 8.670 8.223 0.447 19397 632 1 5 . 1 1 18 18 ASN N N 18 123.103 123.103 118.500 4.603 19397 633 1 5 . 1 1 20 20 TYR N N 20 128.229 128.229 124.328 3.901 19397 634 1 5 . 1 1 20 20 TYR HA H 20 4.588 4.588 3.997 0.591 19397 635 1 5 . 1 1 20 20 TYR H H 20 7.004 7.004 8.396 -1.392 19397 636 1 5 . 1 1 21 21 ASP HA H 21 4.671 4.671 4.561 0.110 19397 637 1 5 . 1 1 21 21 ASP H H 21 7.590 7.590 8.568 -0.978 19397 638 1 5 . 1 1 23 23 VAL N N 23 123.649 123.649 117.449 6.200 19397 639 1 5 . 1 1 23 23 VAL HA H 23 3.415 3.415 3.887 -0.472 19397 640 1 5 . 1 1 23 23 VAL H H 23 8.753 8.753 7.929 0.824 19397 641 1 5 . 1 1 25 25 LYS N N 25 119.120 119.120 118.959 0.161 19397 642 1 5 . 1 1 25 25 LYS HA H 25 3.871 3.871 3.961 -0.090 19397 643 1 5 . 1 1 25 25 LYS H H 25 7.760 7.760 7.387 0.373 19397 644 1 5 . 1 1 26 26 ILE N N 26 117.483 117.483 119.669 -2.186 19397 645 1 5 . 1 1 26 26 ILE HA H 26 3.508 3.508 3.775 -0.267 19397 646 1 5 . 1 1 26 26 ILE H H 26 7.324 7.324 7.579 -0.255 19397 647 1 5 . 1 1 27 27 LYS N N 27 119.349 119.349 119.075 0.274 19397 648 1 5 . 1 1 27 27 LYS HA H 27 4.400 4.400 4.049 0.351 19397 649 1 5 . 1 1 27 27 LYS H H 27 7.665 7.665 8.051 -0.386 19397 650 1 5 . 1 1 28 28 GLU N N 28 121.785 121.785 117.601 4.184 19397 651 1 5 . 1 1 28 28 GLU HA H 28 3.770 3.770 4.121 -0.351 19397 652 1 5 . 1 1 28 28 GLU H H 28 8.379 8.379 8.102 0.277 19397 653 1 5 . 1 1 29 29 HIS N N 29 122.422 122.422 116.806 5.616 19397 654 1 5 . 1 1 29 29 HIS HA H 29 4.203 4.203 4.365 -0.162 19397 655 1 5 . 1 1 29 29 HIS H H 29 7.590 7.590 7.643 -0.053 19397 656 1 5 . 1 1 30 30 VAL N N 30 121.437 121.437 117.319 4.118 19397 657 1 5 . 1 1 30 30 VAL HA H 30 3.477 3.477 3.972 -0.495 19397 658 1 5 . 1 1 30 30 VAL H H 30 8.412 8.412 7.513 0.899 19397 659 1 5 . 1 1 32 32 SER N N 32 121.037 121.037 117.581 3.456 19397 660 1 5 . 1 1 33 33 LYS N N 33 125.831 125.831 115.999 9.832 19397 661 1 5 . 1 1 33 33 LYS HA H 33 3.757 3.757 4.736 -0.979 19397 662 1 5 . 1 1 33 33 LYS H H 33 8.918 8.918 8.157 0.761 19397 663 1 5 . 1 1 34 34 THR N N 34 116.691 116.691 113.847 2.844 19397 664 1 5 . 1 1 34 34 THR HA H 34 4.111 4.111 4.014 0.097 19397 665 1 5 . 1 1 34 34 THR H H 34 7.961 7.961 7.609 0.352 19397 666 1 5 . 1 1 35 35 LYS N N 35 117.623 117.623 120.056 -2.433 19397 667 1 5 . 1 1 35 35 LYS HA H 35 4.352 4.352 4.202 0.150 19397 668 1 5 . 1 1 35 35 LYS H H 35 7.064 7.064 8.152 -1.088 19397 669 1 5 . 1 1 36 36 VAL N N 36 125.248 125.248 119.891 5.357 19397 670 1 5 . 1 1 36 36 VAL HA H 36 3.770 3.770 4.439 -0.669 19397 671 1 5 . 1 1 36 36 VAL H H 36 7.918 7.918 7.568 0.350 19397 672 1 5 . 1 1 38 38 VAL HA H 38 4.078 4.078 4.007 0.071 19397 673 1 5 . 1 1 38 38 VAL H H 38 8.409 8.409 8.176 0.233 19397 674 1 5 . 1 1 39 39 GLN N N 39 115.805 115.805 124.781 -8.976 19397 675 1 5 . 1 1 39 39 GLN HA H 39 4.162 4.162 4.455 -0.293 19397 676 1 5 . 1 1 39 39 GLN H H 39 8.793 8.793 8.529 0.264 19397 677 1 5 . 1 1 40 40 ASP N N 40 120.069 120.069 115.002 5.067 19397 678 1 5 . 1 1 40 40 ASP HA H 40 4.769 4.769 4.782 -0.013 19397 679 1 5 . 1 1 40 40 ASP H H 40 7.590 7.590 8.356 -0.766 19397 680 1 5 . 1 1 41 41 GLN N N 41 117.974 117.974 118.726 -0.752 19397 681 1 5 . 1 1 41 41 GLN HA H 41 4.453 4.453 4.484 -0.031 19397 682 1 5 . 1 1 41 41 GLN H H 41 7.046 7.046 7.737 -0.691 19397 683 1 5 . 1 1 42 42 VAL N N 42 123.686 123.686 120.850 2.836 19397 684 1 5 . 1 1 42 42 VAL HA H 42 4.175 4.175 4.560 -0.385 19397 685 1 5 . 1 1 42 42 VAL H H 42 8.842 8.842 8.489 0.353 19397 686 1 5 . 1 1 43 43 LEU N N 43 126.600 126.600 122.789 3.811 19397 687 1 5 . 1 1 43 43 LEU HA H 43 5.450 5.450 4.744 0.706 19397 688 1 5 . 1 1 43 43 LEU H H 43 9.208 9.208 7.848 1.360 19397 689 1 5 . 1 1 44 44 LEU N N 44 120.515 120.515 121.622 -1.107 19397 690 1 5 . 1 1 44 44 LEU HA H 44 5.178 5.178 5.188 -0.010 19397 691 1 5 . 1 1 44 44 LEU H H 44 9.107 9.107 8.789 0.318 19397 692 1 5 . 1 1 45 45 LEU N N 45 124.199 124.199 123.609 0.590 19397 693 1 5 . 1 1 45 45 LEU HA H 45 4.706 4.706 4.560 0.146 19397 694 1 5 . 1 1 45 45 LEU H H 45 8.551 8.551 8.363 0.188 19397 695 1 5 . 1 1 48 48 LYS N N 48 124.618 124.618 117.782 6.836 19397 696 1 5 . 1 1 48 48 LYS HA H 48 4.339 4.339 4.758 -0.419 19397 697 1 5 . 1 1 48 48 LYS H H 48 7.982 7.982 7.440 0.542 19397 698 1 5 . 1 1 49 49 ILE N N 49 126.507 126.507 120.957 5.550 19397 699 1 5 . 1 1 49 49 ILE HA H 49 4.018 4.018 4.668 -0.650 19397 700 1 5 . 1 1 49 49 ILE H H 49 8.399 8.399 8.285 0.114 19397 701 1 5 . 1 1 50 50 LEU N N 50 128.139 128.139 130.868 -2.729 19397 702 1 5 . 1 1 50 50 LEU HA H 50 4.126 4.126 4.635 -0.509 19397 703 1 5 . 1 1 50 50 LEU H H 50 8.652 8.652 8.873 -0.221 19397 704 1 5 . 1 1 51 51 LYS N N 51 123.009 123.009 128.725 -5.716 19397 705 1 5 . 1 1 51 51 LYS HA H 51 4.714 4.714 4.354 0.360 19397 706 1 5 . 1 1 51 51 LYS H H 51 8.132 8.132 8.531 -0.399 19397 707 1 5 . 1 1 56 56 LEU N N 56 123.359 123.359 120.482 2.877 19397 708 1 5 . 1 1 56 56 LEU HA H 56 4.188 4.188 4.635 -0.447 19397 709 1 5 . 1 1 56 56 LEU H H 56 8.627 8.627 8.536 0.091 19397 710 1 5 . 1 1 57 57 SER N N 57 113.706 113.706 115.660 -1.954 19397 711 1 5 . 1 1 57 57 SER HA H 57 4.265 4.265 4.029 0.236 19397 712 1 5 . 1 1 57 57 SER H H 57 8.719 8.719 8.222 0.497 19397 713 1 5 . 1 1 59 59 TYR N N 59 120.883 120.883 119.040 1.843 19397 714 1 5 . 1 1 59 59 TYR HA H 59 4.536 4.536 4.538 -0.002 19397 715 1 5 . 1 1 59 59 TYR H H 59 7.737 7.737 8.226 -0.489 19397 716 1 5 . 1 1 61 61 ILE N N 61 117.591 117.591 117.037 0.554 19397 717 1 5 . 1 1 61 61 ILE HA H 61 4.099 4.099 4.534 -0.435 19397 718 1 5 . 1 1 61 61 ILE H H 61 6.997 6.997 7.600 -0.603 19397 719 1 5 . 1 1 64 64 GLU N N 64 126.670 126.670 121.157 5.513 19397 720 1 5 . 1 1 64 64 GLU HA H 64 4.559 4.559 4.055 0.504 19397 721 1 5 . 1 1 64 64 GLU H H 64 8.132 8.132 8.268 -0.136 19397 722 1 5 . 1 1 67 67 ILE N N 67 121.803 121.803 115.164 6.639 19397 723 1 5 . 1 1 67 67 ILE HA H 67 4.497 4.497 4.504 -0.007 19397 724 1 5 . 1 1 67 67 ILE H H 67 8.488 8.488 8.479 0.009 19397 725 1 5 . 1 1 68 68 HIS N N 68 124.455 124.455 123.394 1.061 19397 726 1 5 . 1 1 68 68 HIS HA H 68 5.131 5.131 5.504 -0.373 19397 727 1 5 . 1 1 68 68 HIS H H 68 8.425 8.425 8.518 -0.093 19397 728 1 5 . 1 1 69 69 LEU N N 69 122.823 122.823 125.122 -2.299 19397 729 1 5 . 1 1 69 69 LEU HA H 69 5.317 5.317 4.919 0.398 19397 730 1 5 . 1 1 69 69 LEU H H 69 9.322 9.322 8.599 0.723 19397 731 1 5 . 1 1 70 70 THR N N 70 118.743 118.743 111.660 7.083 19397 732 1 5 . 1 1 70 70 THR HA H 70 5.009 5.009 4.646 0.363 19397 733 1 5 . 1 1 70 70 THR H H 70 9.107 9.107 8.125 0.982 19397 734 1 5 . 1 1 71 71 LEU N N 71 126.880 126.880 124.541 2.339 19397 735 1 5 . 1 1 71 71 LEU HA H 71 5.363 5.363 4.905 0.458 19397 736 1 5 . 1 1 71 71 LEU H H 71 8.829 8.829 8.055 0.774 19397 737 1 5 . 1 1 72 72 LYS N N 72 128.792 128.792 121.916 6.876 19397 738 1 5 . 1 1 72 72 LYS HA H 72 4.683 4.683 4.767 -0.084 19397 739 1 5 . 1 1 72 72 LYS H H 72 9.570 9.570 8.688 0.882 19397 740 1 5 . 1 1 73 73 VAL N N 73 120.771 120.771 119.850 0.921 19397 741 1 5 . 1 1 73 73 VAL HA H 73 4.807 4.807 4.783 0.024 19397 742 1 5 . 1 1 73 73 VAL H H 73 8.488 8.488 8.282 0.206 19397 743 1 5 . 1 1 74 74 VAL N N 74 127.859 127.859 121.496 6.363 19397 744 1 5 . 1 1 74 74 VAL HA H 74 3.956 3.956 4.704 -0.748 19397 745 1 5 . 1 1 74 74 VAL H H 74 8.715 8.715 8.105 0.610 19397 746 1 6 . 1 1 2 2 CYS N N 2 123.896 123.896 116.733 7.163 19397 747 1 6 . 1 1 2 2 CYS HA H 2 4.643 4.643 4.880 -0.237 19397 748 1 6 . 1 1 2 2 CYS H H 2 8.271 8.271 8.447 -0.176 19397 749 1 6 . 1 1 3 3 VAL N N 3 128.209 128.209 117.488 10.721 19397 750 1 6 . 1 1 3 3 VAL HA H 3 4.225 4.225 4.724 -0.499 19397 751 1 6 . 1 1 3 3 VAL H H 3 8.930 8.930 7.851 1.079 19397 752 1 6 . 1 1 4 4 HIS N N 4 126.227 126.227 118.495 7.732 19397 753 1 6 . 1 1 4 4 HIS HA H 4 5.364 5.364 4.914 0.450 19397 754 1 6 . 1 1 4 4 HIS H H 4 8.723 8.723 8.402 0.321 19397 755 1 6 . 1 1 5 5 VAL N N 5 122.706 122.706 116.169 6.537 19397 756 1 6 . 1 1 5 5 VAL HA H 5 4.636 4.636 5.396 -0.760 19397 757 1 6 . 1 1 5 5 VAL H H 5 9.400 9.400 8.378 1.022 19397 758 1 6 . 1 1 6 6 ARG N N 6 130.121 130.121 123.404 6.717 19397 759 1 6 . 1 1 6 6 ARG HA H 6 4.992 4.992 4.657 0.335 19397 760 1 6 . 1 1 6 6 ARG H H 6 8.874 8.874 8.717 0.157 19397 761 1 6 . 1 1 7 7 SER N N 7 117.297 117.297 114.216 3.081 19397 762 1 6 . 1 1 7 7 SER HA H 7 5.085 5.085 4.242 0.843 19397 763 1 6 . 1 1 7 7 SER H H 7 8.936 8.936 8.369 0.567 19397 764 1 6 . 1 1 10 10 TRP HA H 10 4.745 4.745 4.836 -0.091 19397 765 1 6 . 1 1 10 10 TRP H H 10 7.235 7.235 8.581 -1.346 19397 766 1 6 . 1 1 11 11 ASP N N 11 117.787 117.787 117.296 0.491 19397 767 1 6 . 1 1 11 11 ASP HA H 11 4.791 4.791 4.769 0.022 19397 768 1 6 . 1 1 11 11 ASP H H 11 7.665 7.665 7.830 -0.165 19397 769 1 6 . 1 1 13 13 MET N N 13 122.940 122.940 118.100 4.840 19397 770 1 6 . 1 1 13 13 MET HA H 13 4.858 4.858 4.767 0.091 19397 771 1 6 . 1 1 13 13 MET H H 13 8.827 8.827 8.576 0.251 19397 772 1 6 . 1 1 14 14 THR N N 14 121.214 121.214 114.295 6.919 19397 773 1 6 . 1 1 14 14 THR HA H 14 5.262 5.262 4.494 0.768 19397 774 1 6 . 1 1 14 14 THR H H 14 8.273 8.273 8.197 0.076 19397 775 1 6 . 1 1 16 16 ASP N N 16 122.962 122.962 126.609 -3.647 19397 776 1 6 . 1 1 16 16 ASP HA H 16 4.621 4.621 4.771 -0.150 19397 777 1 6 . 1 1 16 16 ASP H H 16 8.719 8.719 8.032 0.687 19397 778 1 6 . 1 1 17 17 ALA N N 17 118.368 118.368 121.994 -3.626 19397 779 1 6 . 1 1 17 17 ALA HA H 17 5.131 5.131 4.608 0.523 19397 780 1 6 . 1 1 17 17 ALA H H 17 8.670 8.670 8.259 0.411 19397 781 1 6 . 1 1 18 18 ASN N N 18 123.103 123.103 119.289 3.814 19397 782 1 6 . 1 1 20 20 TYR N N 20 128.229 128.229 123.267 4.962 19397 783 1 6 . 1 1 20 20 TYR HA H 20 4.588 4.588 4.006 0.582 19397 784 1 6 . 1 1 20 20 TYR H H 20 7.004 7.004 8.308 -1.304 19397 785 1 6 . 1 1 21 21 ASP HA H 21 4.671 4.671 4.615 0.056 19397 786 1 6 . 1 1 21 21 ASP H H 21 7.590 7.590 8.770 -1.180 19397 787 1 6 . 1 1 23 23 VAL N N 23 123.649 123.649 122.457 1.192 19397 788 1 6 . 1 1 23 23 VAL HA H 23 3.415 3.415 3.808 -0.393 19397 789 1 6 . 1 1 23 23 VAL H H 23 8.753 8.753 7.709 1.044 19397 790 1 6 . 1 1 25 25 LYS N N 25 119.120 119.120 119.665 -0.545 19397 791 1 6 . 1 1 25 25 LYS HA H 25 3.871 3.871 3.996 -0.125 19397 792 1 6 . 1 1 25 25 LYS H H 25 7.760 7.760 7.394 0.366 19397 793 1 6 . 1 1 26 26 ILE N N 26 117.483 117.483 119.320 -1.837 19397 794 1 6 . 1 1 26 26 ILE HA H 26 3.508 3.508 3.852 -0.344 19397 795 1 6 . 1 1 26 26 ILE H H 26 7.324 7.324 7.677 -0.353 19397 796 1 6 . 1 1 27 27 LYS N N 27 119.349 119.349 119.897 -0.548 19397 797 1 6 . 1 1 27 27 LYS HA H 27 4.400 4.400 4.098 0.302 19397 798 1 6 . 1 1 27 27 LYS H H 27 7.665 7.665 8.358 -0.693 19397 799 1 6 . 1 1 28 28 GLU N N 28 121.785 121.785 117.787 3.998 19397 800 1 6 . 1 1 28 28 GLU HA H 28 3.770 3.770 4.168 -0.398 19397 801 1 6 . 1 1 28 28 GLU H H 28 8.379 8.379 7.867 0.512 19397 802 1 6 . 1 1 29 29 HIS N N 29 122.422 122.422 115.705 6.717 19397 803 1 6 . 1 1 29 29 HIS HA H 29 4.203 4.203 4.414 -0.211 19397 804 1 6 . 1 1 29 29 HIS H H 29 7.590 7.590 7.689 -0.099 19397 805 1 6 . 1 1 30 30 VAL N N 30 121.437 121.437 115.996 5.441 19397 806 1 6 . 1 1 30 30 VAL HA H 30 3.477 3.477 4.030 -0.553 19397 807 1 6 . 1 1 30 30 VAL H H 30 8.412 8.412 7.318 1.094 19397 808 1 6 . 1 1 32 32 SER N N 32 121.037 121.037 119.615 1.422 19397 809 1 6 . 1 1 33 33 LYS N N 33 125.831 125.831 117.732 8.099 19397 810 1 6 . 1 1 33 33 LYS HA H 33 3.757 3.757 4.632 -0.875 19397 811 1 6 . 1 1 33 33 LYS H H 33 8.918 8.918 7.339 1.579 19397 812 1 6 . 1 1 34 34 THR N N 34 116.691 116.691 113.741 2.950 19397 813 1 6 . 1 1 34 34 THR HA H 34 4.111 4.111 4.109 0.002 19397 814 1 6 . 1 1 34 34 THR H H 34 7.961 7.961 7.729 0.232 19397 815 1 6 . 1 1 35 35 LYS N N 35 117.623 117.623 120.331 -2.708 19397 816 1 6 . 1 1 35 35 LYS HA H 35 4.352 4.352 4.269 0.083 19397 817 1 6 . 1 1 35 35 LYS H H 35 7.064 7.064 7.916 -0.852 19397 818 1 6 . 1 1 36 36 VAL N N 36 125.248 125.248 121.473 3.775 19397 819 1 6 . 1 1 36 36 VAL HA H 36 3.770 3.770 4.381 -0.611 19397 820 1 6 . 1 1 36 36 VAL H H 36 7.918 7.918 7.637 0.281 19397 821 1 6 . 1 1 38 38 VAL HA H 38 4.078 4.078 3.909 0.169 19397 822 1 6 . 1 1 38 38 VAL H H 38 8.409 8.409 8.001 0.408 19397 823 1 6 . 1 1 39 39 GLN N N 39 115.805 115.805 124.218 -8.413 19397 824 1 6 . 1 1 39 39 GLN HA H 39 4.162 4.162 4.320 -0.158 19397 825 1 6 . 1 1 39 39 GLN H H 39 8.793 8.793 8.672 0.121 19397 826 1 6 . 1 1 40 40 ASP N N 40 120.069 120.069 114.711 5.358 19397 827 1 6 . 1 1 40 40 ASP HA H 40 4.769 4.769 4.933 -0.164 19397 828 1 6 . 1 1 40 40 ASP H H 40 7.590 7.590 8.423 -0.833 19397 829 1 6 . 1 1 41 41 GLN N N 41 117.974 117.974 119.076 -1.102 19397 830 1 6 . 1 1 41 41 GLN HA H 41 4.453 4.453 4.577 -0.124 19397 831 1 6 . 1 1 41 41 GLN H H 41 7.046 7.046 7.807 -0.761 19397 832 1 6 . 1 1 42 42 VAL N N 42 123.686 123.686 121.066 2.620 19397 833 1 6 . 1 1 42 42 VAL HA H 42 4.175 4.175 4.611 -0.436 19397 834 1 6 . 1 1 42 42 VAL H H 42 8.842 8.842 8.806 0.036 19397 835 1 6 . 1 1 43 43 LEU N N 43 126.600 126.600 122.992 3.608 19397 836 1 6 . 1 1 43 43 LEU HA H 43 5.450 5.450 4.693 0.757 19397 837 1 6 . 1 1 43 43 LEU H H 43 9.208 9.208 7.919 1.289 19397 838 1 6 . 1 1 44 44 LEU N N 44 120.515 120.515 121.582 -1.067 19397 839 1 6 . 1 1 44 44 LEU HA H 44 5.178 5.178 4.943 0.235 19397 840 1 6 . 1 1 44 44 LEU H H 44 9.107 9.107 8.530 0.577 19397 841 1 6 . 1 1 45 45 LEU N N 45 124.199 124.199 123.063 1.136 19397 842 1 6 . 1 1 45 45 LEU HA H 45 4.706 4.706 4.724 -0.018 19397 843 1 6 . 1 1 45 45 LEU H H 45 8.551 8.551 8.499 0.052 19397 844 1 6 . 1 1 48 48 LYS N N 48 124.618 124.618 118.412 6.206 19397 845 1 6 . 1 1 48 48 LYS HA H 48 4.339 4.339 4.682 -0.343 19397 846 1 6 . 1 1 48 48 LYS H H 48 7.982 7.982 7.252 0.730 19397 847 1 6 . 1 1 49 49 ILE N N 49 126.507 126.507 121.094 5.413 19397 848 1 6 . 1 1 49 49 ILE HA H 49 4.018 4.018 4.589 -0.571 19397 849 1 6 . 1 1 49 49 ILE H H 49 8.399 8.399 8.577 -0.178 19397 850 1 6 . 1 1 50 50 LEU N N 50 128.139 128.139 128.504 -0.365 19397 851 1 6 . 1 1 50 50 LEU HA H 50 4.126 4.126 4.498 -0.372 19397 852 1 6 . 1 1 50 50 LEU H H 50 8.652 8.652 8.061 0.591 19397 853 1 6 . 1 1 51 51 LYS N N 51 123.009 123.009 121.710 1.299 19397 854 1 6 . 1 1 51 51 LYS HA H 51 4.714 4.714 4.557 0.157 19397 855 1 6 . 1 1 51 51 LYS H H 51 8.132 8.132 8.510 -0.378 19397 856 1 6 . 1 1 56 56 LEU N N 56 123.359 123.359 118.354 5.005 19397 857 1 6 . 1 1 56 56 LEU HA H 56 4.188 4.188 4.715 -0.527 19397 858 1 6 . 1 1 56 56 LEU H H 56 8.627 8.627 7.873 0.754 19397 859 1 6 . 1 1 57 57 SER N N 57 113.706 113.706 115.324 -1.618 19397 860 1 6 . 1 1 57 57 SER HA H 57 4.265 4.265 4.466 -0.201 19397 861 1 6 . 1 1 57 57 SER H H 57 8.719 8.719 8.566 0.153 19397 862 1 6 . 1 1 59 59 TYR N N 59 120.883 120.883 121.277 -0.394 19397 863 1 6 . 1 1 59 59 TYR HA H 59 4.536 4.536 4.727 -0.191 19397 864 1 6 . 1 1 59 59 TYR H H 59 7.737 7.737 7.661 0.076 19397 865 1 6 . 1 1 61 61 ILE N N 61 117.591 117.591 120.493 -2.902 19397 866 1 6 . 1 1 61 61 ILE HA H 61 4.099 4.099 4.619 -0.520 19397 867 1 6 . 1 1 61 61 ILE H H 61 6.997 6.997 7.776 -0.779 19397 868 1 6 . 1 1 64 64 GLU N N 64 126.670 126.670 120.853 5.817 19397 869 1 6 . 1 1 64 64 GLU HA H 64 4.559 4.559 4.218 0.341 19397 870 1 6 . 1 1 64 64 GLU H H 64 8.132 8.132 8.556 -0.424 19397 871 1 6 . 1 1 67 67 ILE N N 67 121.803 121.803 116.968 4.835 19397 872 1 6 . 1 1 67 67 ILE HA H 67 4.497 4.497 4.414 0.083 19397 873 1 6 . 1 1 67 67 ILE H H 67 8.488 8.488 8.213 0.275 19397 874 1 6 . 1 1 68 68 HIS N N 68 124.455 124.455 124.635 -0.180 19397 875 1 6 . 1 1 68 68 HIS HA H 68 5.131 5.131 5.606 -0.475 19397 876 1 6 . 1 1 68 68 HIS H H 68 8.425 8.425 8.523 -0.098 19397 877 1 6 . 1 1 69 69 LEU N N 69 122.823 122.823 125.564 -2.741 19397 878 1 6 . 1 1 69 69 LEU HA H 69 5.317 5.317 5.094 0.223 19397 879 1 6 . 1 1 69 69 LEU H H 69 9.322 9.322 9.145 0.177 19397 880 1 6 . 1 1 70 70 THR N N 70 118.743 118.743 112.427 6.316 19397 881 1 6 . 1 1 70 70 THR HA H 70 5.009 5.009 4.803 0.206 19397 882 1 6 . 1 1 70 70 THR H H 70 9.107 9.107 8.398 0.709 19397 883 1 6 . 1 1 71 71 LEU N N 71 126.880 126.880 123.490 3.390 19397 884 1 6 . 1 1 71 71 LEU HA H 71 5.363 5.363 4.852 0.511 19397 885 1 6 . 1 1 71 71 LEU H H 71 8.829 8.829 8.579 0.250 19397 886 1 6 . 1 1 72 72 LYS N N 72 128.792 128.792 122.266 6.526 19397 887 1 6 . 1 1 72 72 LYS HA H 72 4.683 4.683 4.720 -0.037 19397 888 1 6 . 1 1 72 72 LYS H H 72 9.570 9.570 8.922 0.648 19397 889 1 6 . 1 1 73 73 VAL N N 73 120.771 120.771 122.534 -1.763 19397 890 1 6 . 1 1 73 73 VAL HA H 73 4.807 4.807 4.840 -0.033 19397 891 1 6 . 1 1 73 73 VAL H H 73 8.488 8.488 8.670 -0.182 19397 892 1 6 . 1 1 74 74 VAL N N 74 127.859 127.859 122.438 5.421 19397 893 1 6 . 1 1 74 74 VAL HA H 74 3.956 3.956 4.616 -0.660 19397 894 1 6 . 1 1 74 74 VAL H H 74 8.715 8.715 8.471 0.244 19397 895 1 7 . 1 1 2 2 CYS N N 2 123.896 123.896 117.183 6.713 19397 896 1 7 . 1 1 2 2 CYS HA H 2 4.643 4.643 4.904 -0.261 19397 897 1 7 . 1 1 2 2 CYS H H 2 8.271 8.271 8.478 -0.207 19397 898 1 7 . 1 1 3 3 VAL N N 3 128.209 128.209 116.035 12.174 19397 899 1 7 . 1 1 3 3 VAL HA H 3 4.225 4.225 4.752 -0.527 19397 900 1 7 . 1 1 3 3 VAL H H 3 8.930 8.930 7.985 0.945 19397 901 1 7 . 1 1 4 4 HIS N N 4 126.227 126.227 120.213 6.014 19397 902 1 7 . 1 1 4 4 HIS HA H 4 5.364 5.364 4.997 0.367 19397 903 1 7 . 1 1 4 4 HIS H H 4 8.723 8.723 8.379 0.344 19397 904 1 7 . 1 1 5 5 VAL N N 5 122.706 122.706 116.155 6.551 19397 905 1 7 . 1 1 5 5 VAL HA H 5 4.636 4.636 5.371 -0.735 19397 906 1 7 . 1 1 5 5 VAL H H 5 9.400 9.400 8.412 0.988 19397 907 1 7 . 1 1 6 6 ARG N N 6 130.121 130.121 124.707 5.414 19397 908 1 7 . 1 1 6 6 ARG HA H 6 4.992 4.992 4.786 0.206 19397 909 1 7 . 1 1 6 6 ARG H H 6 8.874 8.874 8.622 0.252 19397 910 1 7 . 1 1 7 7 SER N N 7 117.297 117.297 115.344 1.953 19397 911 1 7 . 1 1 7 7 SER HA H 7 5.085 5.085 4.363 0.722 19397 912 1 7 . 1 1 7 7 SER H H 7 8.936 8.936 8.406 0.530 19397 913 1 7 . 1 1 10 10 TRP HA H 10 4.745 4.745 4.807 -0.062 19397 914 1 7 . 1 1 10 10 TRP H H 10 7.235 7.235 8.584 -1.349 19397 915 1 7 . 1 1 11 11 ASP N N 11 117.787 117.787 118.800 -1.013 19397 916 1 7 . 1 1 11 11 ASP HA H 11 4.791 4.791 4.849 -0.058 19397 917 1 7 . 1 1 11 11 ASP H H 11 7.665 7.665 7.873 -0.208 19397 918 1 7 . 1 1 13 13 MET N N 13 122.940 122.940 117.363 5.577 19397 919 1 7 . 1 1 13 13 MET HA H 13 4.858 4.858 4.861 -0.003 19397 920 1 7 . 1 1 13 13 MET H H 13 8.827 8.827 8.542 0.285 19397 921 1 7 . 1 1 14 14 THR N N 14 121.214 121.214 114.073 7.141 19397 922 1 7 . 1 1 14 14 THR HA H 14 5.262 5.262 4.510 0.752 19397 923 1 7 . 1 1 14 14 THR H H 14 8.273 8.273 8.221 0.052 19397 924 1 7 . 1 1 16 16 ASP N N 16 122.962 122.962 126.414 -3.452 19397 925 1 7 . 1 1 16 16 ASP HA H 16 4.621 4.621 4.681 -0.060 19397 926 1 7 . 1 1 16 16 ASP H H 16 8.719 8.719 7.872 0.847 19397 927 1 7 . 1 1 17 17 ALA N N 17 118.368 118.368 122.183 -3.815 19397 928 1 7 . 1 1 17 17 ALA HA H 17 5.131 5.131 4.483 0.648 19397 929 1 7 . 1 1 17 17 ALA H H 17 8.670 8.670 8.351 0.319 19397 930 1 7 . 1 1 18 18 ASN N N 18 123.103 123.103 120.461 2.642 19397 931 1 7 . 1 1 20 20 TYR N N 20 128.229 128.229 125.344 2.885 19397 932 1 7 . 1 1 20 20 TYR HA H 20 4.588 4.588 4.236 0.352 19397 933 1 7 . 1 1 20 20 TYR H H 20 7.004 7.004 8.752 -1.748 19397 934 1 7 . 1 1 21 21 ASP HA H 21 4.671 4.671 4.824 -0.153 19397 935 1 7 . 1 1 21 21 ASP H H 21 7.590 7.590 8.228 -0.638 19397 936 1 7 . 1 1 23 23 VAL N N 23 123.649 123.649 122.730 0.919 19397 937 1 7 . 1 1 23 23 VAL HA H 23 3.415 3.415 3.986 -0.571 19397 938 1 7 . 1 1 23 23 VAL H H 23 8.753 8.753 8.086 0.667 19397 939 1 7 . 1 1 25 25 LYS N N 25 119.120 119.120 119.768 -0.648 19397 940 1 7 . 1 1 25 25 LYS HA H 25 3.871 3.871 4.098 -0.227 19397 941 1 7 . 1 1 25 25 LYS H H 25 7.760 7.760 7.424 0.336 19397 942 1 7 . 1 1 26 26 ILE N N 26 117.483 117.483 120.014 -2.531 19397 943 1 7 . 1 1 26 26 ILE HA H 26 3.508 3.508 3.846 -0.338 19397 944 1 7 . 1 1 26 26 ILE H H 26 7.324 7.324 7.565 -0.241 19397 945 1 7 . 1 1 27 27 LYS N N 27 119.349 119.349 119.357 -0.008 19397 946 1 7 . 1 1 27 27 LYS HA H 27 4.400 4.400 4.075 0.325 19397 947 1 7 . 1 1 27 27 LYS H H 27 7.665 7.665 8.227 -0.562 19397 948 1 7 . 1 1 28 28 GLU N N 28 121.785 121.785 117.672 4.113 19397 949 1 7 . 1 1 28 28 GLU HA H 28 3.770 3.770 4.117 -0.347 19397 950 1 7 . 1 1 28 28 GLU H H 28 8.379 8.379 7.769 0.610 19397 951 1 7 . 1 1 29 29 HIS N N 29 122.422 122.422 115.645 6.777 19397 952 1 7 . 1 1 29 29 HIS HA H 29 4.203 4.203 4.386 -0.183 19397 953 1 7 . 1 1 29 29 HIS H H 29 7.590 7.590 7.633 -0.043 19397 954 1 7 . 1 1 30 30 VAL N N 30 121.437 121.437 116.889 4.548 19397 955 1 7 . 1 1 30 30 VAL HA H 30 3.477 3.477 3.994 -0.517 19397 956 1 7 . 1 1 30 30 VAL H H 30 8.412 8.412 7.284 1.128 19397 957 1 7 . 1 1 32 32 SER N N 32 121.037 121.037 118.219 2.818 19397 958 1 7 . 1 1 33 33 LYS N N 33 125.831 125.831 117.887 7.944 19397 959 1 7 . 1 1 33 33 LYS HA H 33 3.757 3.757 4.443 -0.686 19397 960 1 7 . 1 1 33 33 LYS H H 33 8.918 8.918 7.532 1.386 19397 961 1 7 . 1 1 34 34 THR N N 34 116.691 116.691 113.378 3.313 19397 962 1 7 . 1 1 34 34 THR HA H 34 4.111 4.111 4.018 0.093 19397 963 1 7 . 1 1 34 34 THR H H 34 7.961 7.961 7.527 0.434 19397 964 1 7 . 1 1 35 35 LYS N N 35 117.623 117.623 120.184 -2.561 19397 965 1 7 . 1 1 35 35 LYS HA H 35 4.352 4.352 4.184 0.168 19397 966 1 7 . 1 1 35 35 LYS H H 35 7.064 7.064 7.994 -0.930 19397 967 1 7 . 1 1 36 36 VAL N N 36 125.248 125.248 121.732 3.516 19397 968 1 7 . 1 1 36 36 VAL HA H 36 3.770 3.770 4.350 -0.580 19397 969 1 7 . 1 1 36 36 VAL H H 36 7.918 7.918 7.645 0.273 19397 970 1 7 . 1 1 38 38 VAL HA H 38 4.078 4.078 3.892 0.186 19397 971 1 7 . 1 1 38 38 VAL H H 38 8.409 8.409 7.956 0.453 19397 972 1 7 . 1 1 39 39 GLN N N 39 115.805 115.805 126.527 -10.722 19397 973 1 7 . 1 1 39 39 GLN HA H 39 4.162 4.162 4.215 -0.053 19397 974 1 7 . 1 1 39 39 GLN H H 39 8.793 8.793 8.664 0.129 19397 975 1 7 . 1 1 40 40 ASP N N 40 120.069 120.069 115.135 4.934 19397 976 1 7 . 1 1 40 40 ASP HA H 40 4.769 4.769 4.932 -0.163 19397 977 1 7 . 1 1 40 40 ASP H H 40 7.590 7.590 8.362 -0.772 19397 978 1 7 . 1 1 41 41 GLN N N 41 117.974 117.974 119.180 -1.206 19397 979 1 7 . 1 1 41 41 GLN HA H 41 4.453 4.453 4.515 -0.062 19397 980 1 7 . 1 1 41 41 GLN H H 41 7.046 7.046 7.784 -0.738 19397 981 1 7 . 1 1 42 42 VAL N N 42 123.686 123.686 120.810 2.876 19397 982 1 7 . 1 1 42 42 VAL HA H 42 4.175 4.175 4.583 -0.408 19397 983 1 7 . 1 1 42 42 VAL H H 42 8.842 8.842 8.345 0.497 19397 984 1 7 . 1 1 43 43 LEU N N 43 126.600 126.600 123.043 3.557 19397 985 1 7 . 1 1 43 43 LEU HA H 43 5.450 5.450 4.708 0.742 19397 986 1 7 . 1 1 43 43 LEU H H 43 9.208 9.208 7.973 1.235 19397 987 1 7 . 1 1 44 44 LEU N N 44 120.515 120.515 121.069 -0.554 19397 988 1 7 . 1 1 44 44 LEU HA H 44 5.178 5.178 5.078 0.100 19397 989 1 7 . 1 1 44 44 LEU H H 44 9.107 9.107 8.351 0.756 19397 990 1 7 . 1 1 45 45 LEU N N 45 124.199 124.199 121.967 2.232 19397 991 1 7 . 1 1 45 45 LEU HA H 45 4.706 4.706 4.716 -0.010 19397 992 1 7 . 1 1 45 45 LEU H H 45 8.551 8.551 7.984 0.568 19397 993 1 7 . 1 1 48 48 LYS N N 48 124.618 124.618 120.577 4.041 19397 994 1 7 . 1 1 48 48 LYS HA H 48 4.339 4.339 4.696 -0.357 19397 995 1 7 . 1 1 48 48 LYS H H 48 7.982 7.982 7.568 0.414 19397 996 1 7 . 1 1 49 49 ILE N N 49 126.507 126.507 120.819 5.688 19397 997 1 7 . 1 1 49 49 ILE HA H 49 4.018 4.018 4.667 -0.649 19397 998 1 7 . 1 1 49 49 ILE H H 49 8.399 8.399 8.409 -0.010 19397 999 1 7 . 1 1 50 50 LEU N N 50 128.139 128.139 128.050 0.089 19397 1000 1 7 . 1 1 50 50 LEU HA H 50 4.126 4.126 4.561 -0.435 19397 1001 1 7 . 1 1 50 50 LEU H H 50 8.652 8.652 8.572 0.080 19397 1002 1 7 . 1 1 51 51 LYS N N 51 123.009 123.009 126.653 -3.644 19397 1003 1 7 . 1 1 51 51 LYS HA H 51 4.714 4.714 4.485 0.229 19397 1004 1 7 . 1 1 51 51 LYS H H 51 8.132 8.132 8.501 -0.369 19397 1005 1 7 . 1 1 56 56 LEU N N 56 123.359 123.359 117.905 5.454 19397 1006 1 7 . 1 1 56 56 LEU HA H 56 4.188 4.188 4.592 -0.404 19397 1007 1 7 . 1 1 56 56 LEU H H 56 8.627 8.627 7.801 0.826 19397 1008 1 7 . 1 1 57 57 SER N N 57 113.706 113.706 116.376 -2.670 19397 1009 1 7 . 1 1 57 57 SER HA H 57 4.265 4.265 4.254 0.011 19397 1010 1 7 . 1 1 57 57 SER H H 57 8.719 8.719 7.847 0.872 19397 1011 1 7 . 1 1 59 59 TYR N N 59 120.883 120.883 119.651 1.232 19397 1012 1 7 . 1 1 59 59 TYR HA H 59 4.536 4.536 4.604 -0.068 19397 1013 1 7 . 1 1 59 59 TYR H H 59 7.737 7.737 7.908 -0.171 19397 1014 1 7 . 1 1 61 61 ILE N N 61 117.591 117.591 117.400 0.191 19397 1015 1 7 . 1 1 61 61 ILE HA H 61 4.099 4.099 4.605 -0.506 19397 1016 1 7 . 1 1 61 61 ILE H H 61 6.997 6.997 7.781 -0.784 19397 1017 1 7 . 1 1 64 64 GLU N N 64 126.670 126.670 120.272 6.398 19397 1018 1 7 . 1 1 64 64 GLU HA H 64 4.559 4.559 4.204 0.355 19397 1019 1 7 . 1 1 64 64 GLU H H 64 8.132 8.132 8.462 -0.330 19397 1020 1 7 . 1 1 67 67 ILE N N 67 121.803 121.803 121.218 0.585 19397 1021 1 7 . 1 1 67 67 ILE HA H 67 4.497 4.497 4.387 0.110 19397 1022 1 7 . 1 1 67 67 ILE H H 67 8.488 8.488 8.366 0.122 19397 1023 1 7 . 1 1 68 68 HIS N N 68 124.455 124.455 124.156 0.299 19397 1024 1 7 . 1 1 68 68 HIS HA H 68 5.131 5.131 5.516 -0.385 19397 1025 1 7 . 1 1 68 68 HIS H H 68 8.425 8.425 8.480 -0.055 19397 1026 1 7 . 1 1 69 69 LEU N N 69 122.823 122.823 125.182 -2.359 19397 1027 1 7 . 1 1 69 69 LEU HA H 69 5.317 5.317 5.086 0.231 19397 1028 1 7 . 1 1 69 69 LEU H H 69 9.322 9.322 9.154 0.168 19397 1029 1 7 . 1 1 70 70 THR N N 70 118.743 118.743 111.266 7.477 19397 1030 1 7 . 1 1 70 70 THR HA H 70 5.009 5.009 4.745 0.264 19397 1031 1 7 . 1 1 70 70 THR H H 70 9.107 9.107 8.185 0.922 19397 1032 1 7 . 1 1 71 71 LEU N N 71 126.880 126.880 121.117 5.763 19397 1033 1 7 . 1 1 71 71 LEU HA H 71 5.363 5.363 4.662 0.701 19397 1034 1 7 . 1 1 71 71 LEU H H 71 8.829 8.829 8.446 0.383 19397 1035 1 7 . 1 1 72 72 LYS N N 72 128.792 128.792 123.354 5.438 19397 1036 1 7 . 1 1 72 72 LYS HA H 72 4.683 4.683 4.707 -0.024 19397 1037 1 7 . 1 1 72 72 LYS H H 72 9.570 9.570 8.832 0.738 19397 1038 1 7 . 1 1 73 73 VAL N N 73 120.771 120.771 124.970 -4.199 19397 1039 1 7 . 1 1 73 73 VAL HA H 73 4.807 4.807 4.641 0.166 19397 1040 1 7 . 1 1 73 73 VAL H H 73 8.488 8.488 8.593 -0.105 19397 1041 1 7 . 1 1 74 74 VAL N N 74 127.859 127.859 125.348 2.511 19397 1042 1 7 . 1 1 74 74 VAL HA H 74 3.956 3.956 4.499 -0.543 19397 1043 1 7 . 1 1 74 74 VAL H H 74 8.715 8.715 8.446 0.269 19397 1044 1 8 . 1 1 2 2 CYS N N 2 123.896 123.896 116.960 6.936 19397 1045 1 8 . 1 1 2 2 CYS HA H 2 4.643 4.643 4.905 -0.262 19397 1046 1 8 . 1 1 2 2 CYS H H 2 8.271 8.271 8.457 -0.186 19397 1047 1 8 . 1 1 3 3 VAL N N 3 128.209 128.209 115.130 13.079 19397 1048 1 8 . 1 1 3 3 VAL HA H 3 4.225 4.225 4.731 -0.506 19397 1049 1 8 . 1 1 3 3 VAL H H 3 8.930 8.930 7.880 1.050 19397 1050 1 8 . 1 1 4 4 HIS N N 4 126.227 126.227 119.809 6.418 19397 1051 1 8 . 1 1 4 4 HIS HA H 4 5.364 5.364 4.999 0.365 19397 1052 1 8 . 1 1 4 4 HIS H H 4 8.723 8.723 8.349 0.374 19397 1053 1 8 . 1 1 5 5 VAL N N 5 122.706 122.706 115.292 7.414 19397 1054 1 8 . 1 1 5 5 VAL HA H 5 4.636 4.636 5.134 -0.498 19397 1055 1 8 . 1 1 5 5 VAL H H 5 9.400 9.400 8.473 0.927 19397 1056 1 8 . 1 1 6 6 ARG N N 6 130.121 130.121 125.103 5.018 19397 1057 1 8 . 1 1 6 6 ARG HA H 6 4.992 4.992 4.758 0.234 19397 1058 1 8 . 1 1 6 6 ARG H H 6 8.874 8.874 8.556 0.318 19397 1059 1 8 . 1 1 7 7 SER N N 7 117.297 117.297 114.676 2.621 19397 1060 1 8 . 1 1 7 7 SER HA H 7 5.085 5.085 4.269 0.816 19397 1061 1 8 . 1 1 7 7 SER H H 7 8.936 8.936 8.671 0.265 19397 1062 1 8 . 1 1 10 10 TRP HA H 10 4.745 4.745 5.023 -0.278 19397 1063 1 8 . 1 1 10 10 TRP H H 10 7.235 7.235 7.923 -0.688 19397 1064 1 8 . 1 1 11 11 ASP N N 11 117.787 117.787 119.680 -1.893 19397 1065 1 8 . 1 1 11 11 ASP HA H 11 4.791 4.791 4.825 -0.034 19397 1066 1 8 . 1 1 11 11 ASP H H 11 7.665 7.665 7.444 0.221 19397 1067 1 8 . 1 1 13 13 MET N N 13 122.940 122.940 119.740 3.200 19397 1068 1 8 . 1 1 13 13 MET HA H 13 4.858 4.858 4.895 -0.037 19397 1069 1 8 . 1 1 13 13 MET H H 13 8.827 8.827 8.830 -0.003 19397 1070 1 8 . 1 1 14 14 THR N N 14 121.214 121.214 113.231 7.983 19397 1071 1 8 . 1 1 14 14 THR HA H 14 5.262 5.262 4.614 0.648 19397 1072 1 8 . 1 1 14 14 THR H H 14 8.273 8.273 8.052 0.221 19397 1073 1 8 . 1 1 16 16 ASP N N 16 122.962 122.962 126.769 -3.807 19397 1074 1 8 . 1 1 16 16 ASP HA H 16 4.621 4.621 4.857 -0.236 19397 1075 1 8 . 1 1 16 16 ASP H H 16 8.719 8.719 8.078 0.641 19397 1076 1 8 . 1 1 17 17 ALA N N 17 118.368 118.368 124.054 -5.686 19397 1077 1 8 . 1 1 17 17 ALA HA H 17 5.131 5.131 4.623 0.508 19397 1078 1 8 . 1 1 17 17 ALA H H 17 8.670 8.670 8.425 0.245 19397 1079 1 8 . 1 1 18 18 ASN N N 18 123.103 123.103 120.367 2.736 19397 1080 1 8 . 1 1 20 20 TYR N N 20 128.229 128.229 124.054 4.175 19397 1081 1 8 . 1 1 20 20 TYR HA H 20 4.588 4.588 4.568 0.020 19397 1082 1 8 . 1 1 20 20 TYR H H 20 7.004 7.004 8.411 -1.407 19397 1083 1 8 . 1 1 21 21 ASP HA H 21 4.671 4.671 5.000 -0.329 19397 1084 1 8 . 1 1 21 21 ASP H H 21 7.590 7.590 8.076 -0.486 19397 1085 1 8 . 1 1 23 23 VAL N N 23 123.649 123.649 119.442 4.207 19397 1086 1 8 . 1 1 23 23 VAL HA H 23 3.415 3.415 4.052 -0.637 19397 1087 1 8 . 1 1 23 23 VAL H H 23 8.753 8.753 7.868 0.885 19397 1088 1 8 . 1 1 25 25 LYS N N 25 119.120 119.120 119.554 -0.434 19397 1089 1 8 . 1 1 25 25 LYS HA H 25 3.871 3.871 4.024 -0.153 19397 1090 1 8 . 1 1 25 25 LYS H H 25 7.760 7.760 7.427 0.333 19397 1091 1 8 . 1 1 26 26 ILE N N 26 117.483 117.483 119.472 -1.989 19397 1092 1 8 . 1 1 26 26 ILE HA H 26 3.508 3.508 3.940 -0.432 19397 1093 1 8 . 1 1 26 26 ILE H H 26 7.324 7.324 7.746 -0.422 19397 1094 1 8 . 1 1 27 27 LYS N N 27 119.349 119.349 119.639 -0.290 19397 1095 1 8 . 1 1 27 27 LYS HA H 27 4.400 4.400 4.078 0.322 19397 1096 1 8 . 1 1 27 27 LYS H H 27 7.665 7.665 8.204 -0.539 19397 1097 1 8 . 1 1 28 28 GLU N N 28 121.785 121.785 117.767 4.018 19397 1098 1 8 . 1 1 28 28 GLU HA H 28 3.770 3.770 4.096 -0.326 19397 1099 1 8 . 1 1 28 28 GLU H H 28 8.379 8.379 7.997 0.382 19397 1100 1 8 . 1 1 29 29 HIS N N 29 122.422 122.422 116.936 5.486 19397 1101 1 8 . 1 1 29 29 HIS HA H 29 4.203 4.203 4.377 -0.174 19397 1102 1 8 . 1 1 29 29 HIS H H 29 7.590 7.590 7.635 -0.045 19397 1103 1 8 . 1 1 30 30 VAL N N 30 121.437 121.437 115.546 5.891 19397 1104 1 8 . 1 1 30 30 VAL HA H 30 3.477 3.477 3.873 -0.396 19397 1105 1 8 . 1 1 30 30 VAL H H 30 8.412 8.412 7.151 1.261 19397 1106 1 8 . 1 1 32 32 SER N N 32 121.037 121.037 119.724 1.313 19397 1107 1 8 . 1 1 33 33 LYS N N 33 125.831 125.831 117.160 8.671 19397 1108 1 8 . 1 1 33 33 LYS HA H 33 3.757 3.757 4.441 -0.684 19397 1109 1 8 . 1 1 33 33 LYS H H 33 8.918 8.918 7.425 1.493 19397 1110 1 8 . 1 1 34 34 THR N N 34 116.691 116.691 114.104 2.587 19397 1111 1 8 . 1 1 34 34 THR HA H 34 4.111 4.111 4.083 0.028 19397 1112 1 8 . 1 1 34 34 THR H H 34 7.961 7.961 7.479 0.482 19397 1113 1 8 . 1 1 35 35 LYS N N 35 117.623 117.623 119.993 -2.370 19397 1114 1 8 . 1 1 35 35 LYS HA H 35 4.352 4.352 4.240 0.112 19397 1115 1 8 . 1 1 35 35 LYS H H 35 7.064 7.064 8.064 -1.000 19397 1116 1 8 . 1 1 36 36 VAL N N 36 125.248 125.248 121.277 3.971 19397 1117 1 8 . 1 1 36 36 VAL HA H 36 3.770 3.770 4.410 -0.640 19397 1118 1 8 . 1 1 36 36 VAL H H 36 7.918 7.918 7.690 0.228 19397 1119 1 8 . 1 1 38 38 VAL HA H 38 4.078 4.078 3.956 0.122 19397 1120 1 8 . 1 1 38 38 VAL H H 38 8.409 8.409 7.789 0.620 19397 1121 1 8 . 1 1 39 39 GLN N N 39 115.805 115.805 123.994 -8.189 19397 1122 1 8 . 1 1 39 39 GLN HA H 39 4.162 4.162 4.210 -0.048 19397 1123 1 8 . 1 1 39 39 GLN H H 39 8.793 8.793 8.565 0.228 19397 1124 1 8 . 1 1 40 40 ASP N N 40 120.069 120.069 114.394 5.675 19397 1125 1 8 . 1 1 40 40 ASP HA H 40 4.769 4.769 4.832 -0.063 19397 1126 1 8 . 1 1 40 40 ASP H H 40 7.590 7.590 8.305 -0.715 19397 1127 1 8 . 1 1 41 41 GLN N N 41 117.974 117.974 118.930 -0.956 19397 1128 1 8 . 1 1 41 41 GLN HA H 41 4.453 4.453 4.536 -0.083 19397 1129 1 8 . 1 1 41 41 GLN H H 41 7.046 7.046 7.755 -0.709 19397 1130 1 8 . 1 1 42 42 VAL N N 42 123.686 123.686 119.864 3.822 19397 1131 1 8 . 1 1 42 42 VAL HA H 42 4.175 4.175 4.612 -0.437 19397 1132 1 8 . 1 1 42 42 VAL H H 42 8.842 8.842 8.316 0.526 19397 1133 1 8 . 1 1 43 43 LEU N N 43 126.600 126.600 121.748 4.852 19397 1134 1 8 . 1 1 43 43 LEU HA H 43 5.450 5.450 4.753 0.697 19397 1135 1 8 . 1 1 43 43 LEU H H 43 9.208 9.208 7.809 1.399 19397 1136 1 8 . 1 1 44 44 LEU N N 44 120.515 120.515 121.982 -1.467 19397 1137 1 8 . 1 1 44 44 LEU HA H 44 5.178 5.178 5.174 0.004 19397 1138 1 8 . 1 1 44 44 LEU H H 44 9.107 9.107 8.824 0.283 19397 1139 1 8 . 1 1 45 45 LEU N N 45 124.199 124.199 123.799 0.400 19397 1140 1 8 . 1 1 45 45 LEU HA H 45 4.706 4.706 4.509 0.197 19397 1141 1 8 . 1 1 45 45 LEU H H 45 8.551 8.551 8.750 -0.199 19397 1142 1 8 . 1 1 48 48 LYS N N 48 124.618 124.618 116.788 7.830 19397 1143 1 8 . 1 1 48 48 LYS HA H 48 4.339 4.339 4.647 -0.308 19397 1144 1 8 . 1 1 48 48 LYS H H 48 7.982 7.982 7.156 0.826 19397 1145 1 8 . 1 1 49 49 ILE N N 49 126.507 126.507 120.399 6.108 19397 1146 1 8 . 1 1 49 49 ILE HA H 49 4.018 4.018 4.755 -0.737 19397 1147 1 8 . 1 1 49 49 ILE H H 49 8.399 8.399 8.415 -0.016 19397 1148 1 8 . 1 1 50 50 LEU N N 50 128.139 128.139 127.024 1.115 19397 1149 1 8 . 1 1 50 50 LEU HA H 50 4.126 4.126 4.489 -0.363 19397 1150 1 8 . 1 1 50 50 LEU H H 50 8.652 8.652 8.591 0.061 19397 1151 1 8 . 1 1 51 51 LYS N N 51 123.009 123.009 124.008 -0.999 19397 1152 1 8 . 1 1 51 51 LYS HA H 51 4.714 4.714 4.513 0.201 19397 1153 1 8 . 1 1 51 51 LYS H H 51 8.132 8.132 8.570 -0.438 19397 1154 1 8 . 1 1 56 56 LEU N N 56 123.359 123.359 119.862 3.497 19397 1155 1 8 . 1 1 56 56 LEU HA H 56 4.188 4.188 4.452 -0.264 19397 1156 1 8 . 1 1 56 56 LEU H H 56 8.627 8.627 8.106 0.521 19397 1157 1 8 . 1 1 57 57 SER N N 57 113.706 113.706 114.098 -0.392 19397 1158 1 8 . 1 1 57 57 SER HA H 57 4.265 4.265 4.118 0.147 19397 1159 1 8 . 1 1 57 57 SER H H 57 8.719 8.719 8.413 0.306 19397 1160 1 8 . 1 1 59 59 TYR N N 59 120.883 120.883 119.475 1.408 19397 1161 1 8 . 1 1 59 59 TYR HA H 59 4.536 4.536 4.699 -0.163 19397 1162 1 8 . 1 1 59 59 TYR H H 59 7.737 7.737 7.953 -0.216 19397 1163 1 8 . 1 1 61 61 ILE N N 61 117.591 117.591 121.165 -3.574 19397 1164 1 8 . 1 1 61 61 ILE HA H 61 4.099 4.099 4.517 -0.418 19397 1165 1 8 . 1 1 61 61 ILE H H 61 6.997 6.997 8.354 -1.357 19397 1166 1 8 . 1 1 64 64 GLU N N 64 126.670 126.670 120.273 6.397 19397 1167 1 8 . 1 1 64 64 GLU HA H 64 4.559 4.559 4.196 0.363 19397 1168 1 8 . 1 1 64 64 GLU H H 64 8.132 8.132 8.489 -0.357 19397 1169 1 8 . 1 1 67 67 ILE N N 67 121.803 121.803 119.775 2.028 19397 1170 1 8 . 1 1 67 67 ILE HA H 67 4.497 4.497 4.530 -0.033 19397 1171 1 8 . 1 1 67 67 ILE H H 67 8.488 8.488 8.639 -0.151 19397 1172 1 8 . 1 1 68 68 HIS N N 68 124.455 124.455 122.429 2.026 19397 1173 1 8 . 1 1 68 68 HIS HA H 68 5.131 5.131 5.282 -0.151 19397 1174 1 8 . 1 1 68 68 HIS H H 68 8.425 8.425 8.463 -0.038 19397 1175 1 8 . 1 1 69 69 LEU N N 69 122.823 122.823 125.336 -2.513 19397 1176 1 8 . 1 1 69 69 LEU HA H 69 5.317 5.317 5.107 0.210 19397 1177 1 8 . 1 1 69 69 LEU H H 69 9.322 9.322 9.101 0.221 19397 1178 1 8 . 1 1 70 70 THR N N 70 118.743 118.743 111.810 6.933 19397 1179 1 8 . 1 1 70 70 THR HA H 70 5.009 5.009 4.661 0.348 19397 1180 1 8 . 1 1 70 70 THR H H 70 9.107 9.107 8.174 0.933 19397 1181 1 8 . 1 1 71 71 LEU N N 71 126.880 126.880 125.017 1.863 19397 1182 1 8 . 1 1 71 71 LEU HA H 71 5.363 5.363 4.778 0.585 19397 1183 1 8 . 1 1 71 71 LEU H H 71 8.829 8.829 8.200 0.629 19397 1184 1 8 . 1 1 72 72 LYS N N 72 128.792 128.792 125.653 3.139 19397 1185 1 8 . 1 1 72 72 LYS HA H 72 4.683 4.683 4.673 0.010 19397 1186 1 8 . 1 1 72 72 LYS H H 72 9.570 9.570 8.637 0.933 19397 1187 1 8 . 1 1 73 73 VAL N N 73 120.771 120.771 124.316 -3.545 19397 1188 1 8 . 1 1 73 73 VAL HA H 73 4.807 4.807 4.605 0.202 19397 1189 1 8 . 1 1 73 73 VAL H H 73 8.488 8.488 8.458 0.030 19397 1190 1 8 . 1 1 74 74 VAL N N 74 127.859 127.859 121.583 6.276 19397 1191 1 8 . 1 1 74 74 VAL HA H 74 3.956 3.956 4.556 -0.600 19397 1192 1 8 . 1 1 74 74 VAL H H 74 8.715 8.715 8.169 0.546 19397 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 49 5.016 -3.020 4.046 19397 2 1 1 "Average Difference" HA 50 0.397 0.048 0.398 19397 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19397 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19397 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19397 6 1 1 "Average Difference" HN 50 0.636 -0.155 0.623 19397 7 1 2 "Average Difference" N 49 4.692 -2.569 3.967 19397 8 1 2 "Average Difference" HA 50 0.370 0.083 0.364 19397 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19397 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19397 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19397 12 1 2 "Average Difference" HN 50 0.654 -0.191 0.632 19397 13 1 3 "Average Difference" N 49 4.948 -2.587 4.262 19397 14 1 3 "Average Difference" HA 50 0.377 0.056 0.376 19397 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19397 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19397 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19397 18 1 3 "Average Difference" HN 50 0.663 -0.216 0.633 19397 19 1 4 "Average Difference" N 49 4.808 -2.537 4.127 19397 20 1 4 "Average Difference" HA 50 0.384 0.067 0.382 19397 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19397 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19397 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19397 24 1 4 "Average Difference" HN 50 0.636 -0.191 0.613 19397 25 1 5 "Average Difference" N 49 4.919 -2.631 4.199 19397 26 1 5 "Average Difference" HA 50 0.408 0.056 0.408 19397 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19397 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19397 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19397 30 1 5 "Average Difference" HN 50 0.611 -0.172 0.592 19397 31 1 6 "Average Difference" N 49 4.683 -2.573 3.954 19397 32 1 6 "Average Difference" HA 50 0.412 0.067 0.410 19397 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19397 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19397 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19397 36 1 6 "Average Difference" HN 50 0.664 -0.139 0.656 19397 37 1 7 "Average Difference" N 49 4.694 -2.253 4.160 19397 38 1 7 "Average Difference" HA 50 0.396 0.053 0.396 19397 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19397 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19397 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19397 42 1 7 "Average Difference" HN 50 0.670 -0.171 0.654 19397 43 1 8 "Average Difference" N 49 4.828 -2.469 4.191 19397 44 1 8 "Average Difference" HA 50 0.379 0.063 0.377 19397 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19397 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19397 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19397 48 1 8 "Average Difference" HN 50 0.660 -0.168 0.644 19397 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 19397 _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 CYS N N 2 123.896 123.896 116.835 7.060 19397 2 1 . 1 1 2 2 CYS HA H 2 4.643 4.643 4.896 -0.254 19397 3 1 . 1 1 2 2 CYS H H 2 8.271 8.271 8.472 -0.201 19397 4 1 . 1 1 3 3 VAL N N 3 128.209 128.209 116.504 11.705 19397 5 1 . 1 1 3 3 VAL HA H 3 4.225 4.225 4.610 -0.385 19397 6 1 . 1 1 3 3 VAL H H 3 8.930 8.930 7.911 1.019 19397 7 1 . 1 1 4 4 HIS N N 4 126.227 126.227 120.395 5.832 19397 8 1 . 1 1 4 4 HIS HA H 4 5.364 5.364 5.016 0.348 19397 9 1 . 1 1 4 4 HIS H H 4 8.723 8.723 8.467 0.256 19397 10 1 . 1 1 5 5 VAL N N 5 122.706 122.706 116.410 6.296 19397 11 1 . 1 1 5 5 VAL HA H 5 4.636 4.636 5.126 -0.490 19397 12 1 . 1 1 5 5 VAL H H 5 9.400 9.400 8.460 0.940 19397 13 1 . 1 1 6 6 ARG N N 6 130.121 130.121 124.458 5.663 19397 14 1 . 1 1 6 6 ARG HA H 6 4.992 4.992 4.756 0.236 19397 15 1 . 1 1 6 6 ARG H H 6 8.874 8.874 8.335 0.539 19397 16 1 . 1 1 7 7 SER N N 7 117.297 117.297 115.277 2.020 19397 17 1 . 1 1 7 7 SER HA H 7 5.085 5.085 4.307 0.778 19397 18 1 . 1 1 7 7 SER H H 7 8.936 8.936 8.467 0.469 19397 19 1 . 1 1 10 10 TRP HA H 10 4.745 4.745 4.925 -0.180 19397 20 1 . 1 1 10 10 TRP H H 10 7.235 7.235 8.286 -1.051 19397 21 1 . 1 1 11 11 ASP N N 11 117.787 117.787 119.077 -1.290 19397 22 1 . 1 1 11 11 ASP HA H 11 4.791 4.791 4.829 -0.038 19397 23 1 . 1 1 11 11 ASP H H 11 7.665 7.665 7.643 0.023 19397 24 1 . 1 1 13 13 MET N N 13 122.940 122.940 117.588 5.352 19397 25 1 . 1 1 13 13 MET HA H 13 4.858 4.858 4.857 0.001 19397 26 1 . 1 1 13 13 MET H H 13 8.827 8.827 8.528 0.299 19397 27 1 . 1 1 14 14 THR N N 14 121.214 121.214 114.518 6.696 19397 28 1 . 1 1 14 14 THR HA H 14 5.262 5.262 4.537 0.725 19397 29 1 . 1 1 14 14 THR H H 14 8.273 8.273 8.150 0.123 19397 30 1 . 1 1 16 16 ASP N N 16 122.962 122.962 126.436 -3.474 19397 31 1 . 1 1 16 16 ASP HA H 16 4.621 4.621 4.740 -0.119 19397 32 1 . 1 1 16 16 ASP H H 16 8.719 8.719 8.014 0.705 19397 33 1 . 1 1 17 17 ALA N N 17 118.368 118.368 122.427 -4.059 19397 34 1 . 1 1 17 17 ALA HA H 17 5.131 5.131 4.568 0.563 19397 35 1 . 1 1 17 17 ALA H H 17 8.670 8.670 8.260 0.410 19397 36 1 . 1 1 18 18 ASN N N 18 123.103 123.103 119.549 3.554 19397 37 1 . 1 1 20 20 TYR N N 20 128.229 128.229 123.670 4.559 19397 38 1 . 1 1 20 20 TYR HA H 20 4.588 4.588 4.398 0.190 19397 39 1 . 1 1 20 20 TYR H H 20 7.004 7.004 8.370 -1.366 19397 40 1 . 1 1 21 21 ASP HA H 21 4.671 4.671 4.848 -0.177 19397 41 1 . 1 1 21 21 ASP H H 21 7.590 7.590 8.333 -0.743 19397 42 1 . 1 1 23 23 VAL N N 23 123.649 123.649 120.163 3.486 19397 43 1 . 1 1 23 23 VAL HA H 23 3.415 3.415 3.947 -0.532 19397 44 1 . 1 1 23 23 VAL H H 23 8.753 8.753 7.897 0.856 19397 45 1 . 1 1 25 25 LYS N N 25 119.120 119.120 119.375 -0.255 19397 46 1 . 1 1 25 25 LYS HA H 25 3.871 3.871 4.034 -0.163 19397 47 1 . 1 1 25 25 LYS H H 25 7.760 7.760 7.448 0.312 19397 48 1 . 1 1 26 26 ILE N N 26 117.483 117.483 119.761 -2.278 19397 49 1 . 1 1 26 26 ILE HA H 26 3.508 3.508 3.878 -0.370 19397 50 1 . 1 1 26 26 ILE H H 26 7.324 7.324 7.619 -0.295 19397 51 1 . 1 1 27 27 LYS N N 27 119.349 119.349 119.389 -0.040 19397 52 1 . 1 1 27 27 LYS HA H 27 4.400 4.400 4.074 0.326 19397 53 1 . 1 1 27 27 LYS H H 27 7.665 7.665 8.195 -0.530 19397 54 1 . 1 1 28 28 GLU N N 28 121.785 121.785 117.733 4.052 19397 55 1 . 1 1 28 28 GLU HA H 28 3.770 3.770 4.115 -0.345 19397 56 1 . 1 1 28 28 GLU H H 28 8.379 8.379 7.890 0.489 19397 57 1 . 1 1 29 29 HIS N N 29 122.422 122.422 116.122 6.300 19397 58 1 . 1 1 29 29 HIS HA H 29 4.203 4.203 4.400 -0.197 19397 59 1 . 1 1 29 29 HIS H H 29 7.590 7.590 7.638 -0.048 19397 60 1 . 1 1 30 30 VAL N N 30 121.437 121.437 116.205 5.232 19397 61 1 . 1 1 30 30 VAL HA H 30 3.477 3.477 3.991 -0.514 19397 62 1 . 1 1 30 30 VAL H H 30 8.412 8.412 7.290 1.122 19397 63 1 . 1 1 32 32 SER N N 32 121.037 121.037 118.540 2.497 19397 64 1 . 1 1 33 33 LYS N N 33 125.831 125.831 117.329 8.502 19397 65 1 . 1 1 33 33 LYS HA H 33 3.757 3.757 4.500 -0.743 19397 66 1 . 1 1 33 33 LYS H H 33 8.918 8.918 7.968 0.950 19397 67 1 . 1 1 34 34 THR N N 34 116.691 116.691 113.263 3.428 19397 68 1 . 1 1 34 34 THR HA H 34 4.111 4.111 4.084 0.027 19397 69 1 . 1 1 34 34 THR H H 34 7.961 7.961 7.620 0.341 19397 70 1 . 1 1 35 35 LYS N N 35 117.623 117.623 119.830 -2.207 19397 71 1 . 1 1 35 35 LYS HA H 35 4.352 4.352 4.225 0.127 19397 72 1 . 1 1 35 35 LYS H H 35 7.064 7.064 8.066 -1.002 19397 73 1 . 1 1 36 36 VAL N N 36 125.248 125.248 120.807 4.441 19397 74 1 . 1 1 36 36 VAL HA H 36 3.770 3.770 4.348 -0.578 19397 75 1 . 1 1 36 36 VAL H H 36 7.918 7.918 7.571 0.347 19397 76 1 . 1 1 38 38 VAL HA H 38 4.078 4.078 4.068 0.010 19397 77 1 . 1 1 38 38 VAL H H 38 8.409 8.409 7.786 0.623 19397 78 1 . 1 1 39 39 GLN N N 39 115.805 115.805 125.138 -9.333 19397 79 1 . 1 1 39 39 GLN HA H 39 4.162 4.162 4.274 -0.112 19397 80 1 . 1 1 39 39 GLN H H 39 8.793 8.793 8.559 0.234 19397 81 1 . 1 1 40 40 ASP N N 40 120.069 120.069 115.206 4.864 19397 82 1 . 1 1 40 40 ASP HA H 40 4.769 4.769 4.867 -0.098 19397 83 1 . 1 1 40 40 ASP H H 40 7.590 7.590 8.340 -0.750 19397 84 1 . 1 1 41 41 GLN N N 41 117.974 117.974 119.060 -1.086 19397 85 1 . 1 1 41 41 GLN HA H 41 4.453 4.453 4.542 -0.089 19397 86 1 . 1 1 41 41 GLN H H 41 7.046 7.046 7.852 -0.806 19397 87 1 . 1 1 42 42 VAL N N 42 123.686 123.686 120.512 3.174 19397 88 1 . 1 1 42 42 VAL HA H 42 4.175 4.175 4.597 -0.422 19397 89 1 . 1 1 42 42 VAL H H 42 8.842 8.842 8.527 0.315 19397 90 1 . 1 1 43 43 LEU N N 43 126.600 126.600 122.609 3.991 19397 91 1 . 1 1 43 43 LEU HA H 43 5.450 5.450 4.725 0.725 19397 92 1 . 1 1 43 43 LEU H H 43 9.208 9.208 7.993 1.214 19397 93 1 . 1 1 44 44 LEU N N 44 120.515 120.515 121.855 -1.340 19397 94 1 . 1 1 44 44 LEU HA H 44 5.178 5.178 5.131 0.047 19397 95 1 . 1 1 44 44 LEU H H 44 9.107 9.107 8.465 0.642 19397 96 1 . 1 1 45 45 LEU N N 45 124.199 124.199 123.349 0.850 19397 97 1 . 1 1 45 45 LEU HA H 45 4.706 4.706 4.614 0.092 19397 98 1 . 1 1 45 45 LEU H H 45 8.551 8.551 8.476 0.075 19397 99 1 . 1 1 48 48 LYS N N 48 124.618 124.618 118.199 6.419 19397 100 1 . 1 1 48 48 LYS HA H 48 4.339 4.339 4.663 -0.324 19397 101 1 . 1 1 48 48 LYS H H 48 7.982 7.982 7.439 0.543 19397 102 1 . 1 1 49 49 ILE N N 49 126.507 126.507 120.794 5.713 19397 103 1 . 1 1 49 49 ILE HA H 49 4.018 4.018 4.678 -0.660 19397 104 1 . 1 1 49 49 ILE H H 49 8.399 8.399 8.404 -0.005 19397 105 1 . 1 1 50 50 LEU N N 50 128.139 128.139 128.438 -0.299 19397 106 1 . 1 1 50 50 LEU HA H 50 4.126 4.126 4.528 -0.402 19397 107 1 . 1 1 50 50 LEU H H 50 8.652 8.652 8.543 0.109 19397 108 1 . 1 1 51 51 LYS N N 51 123.009 123.009 124.219 -1.210 19397 109 1 . 1 1 51 51 LYS HA H 51 4.714 4.714 4.513 0.201 19397 110 1 . 1 1 51 51 LYS H H 51 8.132 8.132 8.475 -0.343 19397 111 1 . 1 1 56 56 LEU N N 56 123.359 123.359 120.191 3.168 19397 112 1 . 1 1 56 56 LEU HA H 56 4.188 4.188 4.549 -0.361 19397 113 1 . 1 1 56 56 LEU H H 56 8.627 8.627 8.097 0.530 19397 114 1 . 1 1 57 57 SER N N 57 113.706 113.706 114.697 -0.991 19397 115 1 . 1 1 57 57 SER HA H 57 4.265 4.265 4.327 -0.062 19397 116 1 . 1 1 57 57 SER H H 57 8.719 8.719 8.205 0.514 19397 117 1 . 1 1 59 59 TYR N N 59 120.883 120.883 120.037 0.846 19397 118 1 . 1 1 59 59 TYR HA H 59 4.536 4.536 4.594 -0.058 19397 119 1 . 1 1 59 59 TYR H H 59 7.737 7.737 7.984 -0.247 19397 120 1 . 1 1 61 61 ILE N N 61 117.591 117.591 118.618 -1.027 19397 121 1 . 1 1 61 61 ILE HA H 61 4.099 4.099 4.512 -0.413 19397 122 1 . 1 1 61 61 ILE H H 61 6.997 6.997 7.765 -0.768 19397 123 1 . 1 1 64 64 GLU N N 64 126.670 126.670 121.220 5.450 19397 124 1 . 1 1 64 64 GLU HA H 64 4.559 4.559 4.321 0.238 19397 125 1 . 1 1 64 64 GLU H H 64 8.132 8.132 8.477 -0.345 19397 126 1 . 1 1 67 67 ILE N N 67 121.803 121.803 117.562 4.241 19397 127 1 . 1 1 67 67 ILE HA H 67 4.497 4.497 4.479 0.018 19397 128 1 . 1 1 67 67 ILE H H 67 8.488 8.488 8.383 0.105 19397 129 1 . 1 1 68 68 HIS N N 68 124.455 124.455 123.597 0.858 19397 130 1 . 1 1 68 68 HIS HA H 68 5.131 5.131 5.480 -0.349 19397 131 1 . 1 1 68 68 HIS H H 68 8.425 8.425 8.478 -0.053 19397 132 1 . 1 1 69 69 LEU N N 69 122.823 122.823 124.992 -2.169 19397 133 1 . 1 1 69 69 LEU HA H 69 5.317 5.317 5.009 0.308 19397 134 1 . 1 1 69 69 LEU H H 69 9.322 9.322 8.862 0.460 19397 135 1 . 1 1 70 70 THR N N 70 118.743 118.743 111.609 7.134 19397 136 1 . 1 1 70 70 THR HA H 70 5.009 5.009 4.705 0.304 19397 137 1 . 1 1 70 70 THR H H 70 9.107 9.107 8.147 0.960 19397 138 1 . 1 1 71 71 LEU N N 71 126.880 126.880 122.681 4.199 19397 139 1 . 1 1 71 71 LEU HA H 71 5.363 5.363 4.747 0.616 19397 140 1 . 1 1 71 71 LEU H H 71 8.829 8.829 8.247 0.582 19397 141 1 . 1 1 72 72 LYS N N 72 128.792 128.792 122.485 6.307 19397 142 1 . 1 1 72 72 LYS HA H 72 4.683 4.683 4.705 -0.022 19397 143 1 . 1 1 72 72 LYS H H 72 9.570 9.570 8.754 0.816 19397 144 1 . 1 1 73 73 VAL N N 73 120.771 120.771 122.059 -1.288 19397 145 1 . 1 1 73 73 VAL HA H 73 4.807 4.807 4.710 0.097 19397 146 1 . 1 1 73 73 VAL H H 73 8.488 8.488 8.478 0.010 19397 147 1 . 1 1 74 74 VAL N N 74 127.859 127.859 122.986 4.873 19397 148 1 . 1 1 74 74 VAL HA H 74 3.956 3.956 4.553 -0.597 19397 149 1 . 1 1 74 74 VAL H H 74 8.715 8.715 8.319 0.396 19397 stop_ save_