data_17904 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17904 _Entry.PDB_ID 2LIT 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 17904 _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 3 3 PHE HA H -3 4.481 4.481 4.612 -0.131 17904 2 1 1 . 1 1 3 3 PHE H H -3 8.881 8.881 7.823 1.058 17904 3 1 1 . 1 1 4 4 LYS HA H -2 3.873 3.873 4.105 -0.232 17904 4 1 1 . 1 1 4 4 LYS H H -2 6.768 6.768 8.505 -1.737 17904 5 1 1 . 1 1 8 8 SER HA H 2 4.840 4.840 4.775 0.065 17904 6 1 1 . 1 1 8 8 SER H H 2 9.588 9.588 8.395 1.193 17904 7 1 1 . 1 1 9 9 ALA HA H 3 4.033 4.033 4.377 -0.344 17904 8 1 1 . 1 1 9 9 ALA H H 3 7.706 7.706 9.008 -1.302 17904 9 1 1 . 1 1 10 10 LYS HA H 4 4.329 4.329 4.009 0.320 17904 10 1 1 . 1 1 10 10 LYS H H 4 8.465 8.465 8.120 0.345 17904 11 1 1 . 1 1 11 11 LYS HA H 5 4.155 4.155 4.035 0.120 17904 12 1 1 . 1 1 11 11 LYS H H 5 7.893 7.893 7.565 0.328 17904 13 1 1 . 1 1 12 12 GLY H H 6 8.906 8.906 7.870 1.036 17904 14 1 1 . 1 1 13 13 ALA HA H 7 2.418 2.418 3.103 -0.685 17904 15 1 1 . 1 1 13 13 ALA H H 7 8.157 8.157 8.512 -0.355 17904 16 1 1 . 1 1 14 14 THR HA H 8 3.940 3.940 3.934 0.006 17904 17 1 1 . 1 1 14 14 THR H H 8 7.325 7.325 7.707 -0.382 17904 18 1 1 . 1 1 15 15 LEU HA H 9 4.109 4.109 4.005 0.104 17904 19 1 1 . 1 1 15 15 LEU H H 9 8.044 8.044 7.404 0.640 17904 20 1 1 . 1 1 16 16 PHE HA H 10 4.048 4.048 3.887 0.161 17904 21 1 1 . 1 1 16 16 PHE H H 10 8.956 8.956 8.603 0.353 17904 22 1 1 . 1 1 17 17 LYS HA H 11 4.018 4.018 4.050 -0.032 17904 23 1 1 . 1 1 17 17 LYS H H 11 8.433 8.433 8.453 -0.020 17904 24 1 1 . 1 1 18 18 THR HA H 12 4.305 4.305 4.458 -0.153 17904 25 1 1 . 1 1 18 18 THR H H 12 8.023 8.023 7.797 0.226 17904 26 1 1 . 1 1 19 19 ARG HA H 13 5.317 5.317 4.472 0.845 17904 27 1 1 . 1 1 19 19 ARG H H 13 8.745 8.745 7.483 1.262 17904 28 1 1 . 1 1 20 20 CYS HA H 14 5.441 5.441 4.340 1.101 17904 29 1 1 . 1 1 20 20 CYS H H 14 8.022 8.022 7.971 0.051 17904 30 1 1 . 1 1 21 21 LEU HA H 15 4.144 4.144 4.313 -0.169 17904 31 1 1 . 1 1 21 21 LEU H H 15 7.325 7.325 8.092 -0.767 17904 32 1 1 . 1 1 22 22 GLN HA H 16 4.004 4.004 4.167 -0.163 17904 33 1 1 . 1 1 22 22 GLN H H 16 9.109 9.109 8.318 0.791 17904 34 1 1 . 1 1 23 23 CYS HA H 17 4.341 4.341 4.596 -0.255 17904 35 1 1 . 1 1 23 23 CYS H H 17 7.154 7.154 7.483 -0.329 17904 36 1 1 . 1 1 24 24 HIS HA H 18 3.530 3.530 4.636 -1.106 17904 37 1 1 . 1 1 24 24 HIS H H 18 6.626 6.626 8.428 -1.802 17904 38 1 1 . 1 1 25 25 THR HA H 19 4.514 4.514 3.995 0.519 17904 39 1 1 . 1 1 25 25 THR H H 19 7.223 7.223 7.616 -0.393 17904 40 1 1 . 1 1 26 26 VAL HA H 20 4.085 4.085 4.157 -0.072 17904 41 1 1 . 1 1 26 26 VAL H H 20 8.015 8.015 8.794 -0.779 17904 42 1 1 . 1 1 27 27 GLU HA H 21 4.158 4.158 3.936 0.222 17904 43 1 1 . 1 1 27 27 GLU H H 21 8.343 8.343 8.992 -0.649 17904 44 1 1 . 1 1 28 28 LYS HA H 22 3.149 3.149 3.595 -0.446 17904 45 1 1 . 1 1 28 28 LYS H H 22 8.673 8.673 8.530 0.143 17904 46 1 1 . 1 1 29 29 GLY H H 23 9.308 9.308 7.740 1.568 17904 47 1 1 . 1 1 30 30 GLY H H 24 7.977 7.977 7.432 0.545 17904 48 1 1 . 1 1 31 31 PRO HA H 25 4.131 4.131 4.332 -0.201 17904 49 1 1 . 1 1 32 32 HIS HA H 26 4.261 4.261 4.226 0.035 17904 50 1 1 . 1 1 32 32 HIS H H 26 8.337 8.337 8.551 -0.214 17904 51 1 1 . 1 1 33 33 LYS HA H 27 4.197 4.197 3.986 0.211 17904 52 1 1 . 1 1 33 33 LYS H H 27 7.722 7.722 7.921 -0.199 17904 53 1 1 . 1 1 34 34 VAL HA H 28 3.969 3.969 3.969 -0.000 17904 54 1 1 . 1 1 34 34 VAL H H 28 7.175 7.175 8.556 -1.381 17904 55 1 1 . 1 1 35 35 GLY H H 29 7.759 7.759 7.589 0.170 17904 56 1 1 . 1 1 36 36 PRO HA H 30 3.538 3.538 3.945 -0.407 17904 57 1 1 . 1 1 37 37 ASN HA H 31 3.932 3.932 4.541 -0.609 17904 58 1 1 . 1 1 37 37 ASN H H 31 10.796 10.796 9.002 1.794 17904 59 1 1 . 1 1 38 38 LEU HA H 32 3.935 3.935 4.014 -0.079 17904 60 1 1 . 1 1 38 38 LEU H H 32 7.881 7.881 8.508 -0.627 17904 61 1 1 . 1 1 39 39 HIS HA H 33 3.866 3.866 4.836 -0.970 17904 62 1 1 . 1 1 39 39 HIS H H 33 7.395 7.395 8.112 -0.717 17904 63 1 1 . 1 1 40 40 GLY H H 34 9.005 9.005 8.422 0.583 17904 64 1 1 . 1 1 41 41 ILE HA H 35 3.968 3.968 3.824 0.144 17904 65 1 1 . 1 1 41 41 ILE H H 35 7.217 7.217 8.088 -0.871 17904 66 1 1 . 1 1 42 42 PHE HA H 36 4.306 4.306 4.792 -0.486 17904 67 1 1 . 1 1 42 42 PHE H H 36 7.890 7.890 7.621 0.269 17904 68 1 1 . 1 1 43 43 GLY H H 37 8.792 8.792 8.470 0.322 17904 69 1 1 . 1 1 44 44 ARG HA H 38 4.851 4.851 4.568 0.283 17904 70 1 1 . 1 1 44 44 ARG H H 38 7.974 7.974 8.124 -0.150 17904 71 1 1 . 1 1 45 45 HIS HA H 39 5.616 5.616 4.205 1.411 17904 72 1 1 . 1 1 45 45 HIS H H 39 7.894 7.894 8.765 -0.871 17904 73 1 1 . 1 1 46 46 SER HA H 40 5.060 5.060 4.749 0.311 17904 74 1 1 . 1 1 46 46 SER H H 40 8.779 8.779 8.456 0.323 17904 75 1 1 . 1 1 47 47 GLY H H 41 8.279 8.279 8.704 -0.425 17904 76 1 1 . 1 1 48 48 GLN HA H 42 4.659 4.659 4.397 0.262 17904 77 1 1 . 1 1 48 48 GLN H H 42 8.725 8.725 8.552 0.173 17904 78 1 1 . 1 1 49 49 ALA HA H 43 4.141 4.141 4.476 -0.335 17904 79 1 1 . 1 1 49 49 ALA H H 43 8.725 8.725 8.116 0.609 17904 80 1 1 . 1 1 50 50 GLU HA H 44 4.281 4.281 4.175 0.106 17904 81 1 1 . 1 1 50 50 GLU H H 44 8.863 8.863 9.141 -0.278 17904 82 1 1 . 1 1 51 51 GLY H H 45 8.861 8.861 8.326 0.535 17904 83 1 1 . 1 1 52 52 TYR HA H 46 4.031 4.031 4.039 -0.008 17904 84 1 1 . 1 1 52 52 TYR H H 46 7.208 7.208 6.829 0.379 17904 85 1 1 . 1 1 53 53 SER HA H 47 4.411 4.411 4.410 0.001 17904 86 1 1 . 1 1 53 53 SER H H 47 7.047 7.047 7.266 -0.219 17904 87 1 1 . 1 1 54 54 TYR HA H 48 5.260 5.260 4.677 0.583 17904 88 1 1 . 1 1 54 54 TYR H H 48 8.290 8.290 8.386 -0.096 17904 89 1 1 . 1 1 55 55 THR HA H 49 4.521 4.521 4.089 0.432 17904 90 1 1 . 1 1 55 55 THR H H 49 10.374 10.374 8.522 1.852 17904 91 1 1 . 1 1 56 56 ASP HA H 50 4.131 4.131 4.406 -0.275 17904 92 1 1 . 1 1 56 56 ASP H H 50 8.689 8.689 8.229 0.460 17904 93 1 1 . 1 1 57 57 ALA HA H 51 3.902 3.902 3.933 -0.031 17904 94 1 1 . 1 1 57 57 ALA H H 51 7.709 7.709 7.812 -0.103 17904 95 1 1 . 1 1 58 58 ASN HA H 52 4.141 4.141 4.416 -0.275 17904 96 1 1 . 1 1 58 58 ASN H H 52 8.285 8.285 8.760 -0.475 17904 97 1 1 . 1 1 59 59 ILE HA H 53 3.354 3.354 3.865 -0.511 17904 98 1 1 . 1 1 59 59 ILE H H 53 7.708 7.708 7.930 -0.222 17904 99 1 1 . 1 1 60 60 LYS HA H 54 3.874 3.874 3.997 -0.123 17904 100 1 1 . 1 1 60 60 LYS H H 54 9.160 9.160 8.148 1.012 17904 101 1 1 . 1 1 61 61 LYS HA H 55 3.834 3.834 4.166 -0.332 17904 102 1 1 . 1 1 61 61 LYS H H 55 7.484 7.484 7.713 -0.229 17904 103 1 1 . 1 1 62 62 ASN HA H 56 4.297 4.297 4.196 0.101 17904 104 1 1 . 1 1 62 62 ASN H H 56 7.052 7.052 7.845 -0.793 17904 105 1 1 . 1 1 63 63 VAL HA H 57 3.708 3.708 4.103 -0.395 17904 106 1 1 . 1 1 63 63 VAL H H 57 7.420 7.420 7.210 0.210 17904 107 1 1 . 1 1 64 64 LEU HA H 58 3.841 3.841 4.477 -0.636 17904 108 1 1 . 1 1 64 64 LEU H H 58 8.346 8.346 8.138 0.208 17904 109 1 1 . 1 1 65 65 TRP HA H 59 5.061 5.061 4.458 0.603 17904 110 1 1 . 1 1 65 65 TRP H H 59 8.014 8.014 8.194 -0.180 17904 111 1 1 . 1 1 66 66 ASP HA H 60 4.982 4.982 5.208 -0.226 17904 112 1 1 . 1 1 66 66 ASP H H 60 9.639 9.639 8.409 1.230 17904 113 1 1 . 1 1 67 67 GLU HA H 61 3.665 3.665 4.106 -0.441 17904 114 1 1 . 1 1 67 67 GLU H H 61 10.320 10.320 8.925 1.395 17904 115 1 1 . 1 1 68 68 ASN HA H 62 4.621 4.621 4.636 -0.015 17904 116 1 1 . 1 1 68 68 ASN H H 62 8.337 8.337 8.606 -0.269 17904 117 1 1 . 1 1 69 69 ASN HA H 63 4.569 4.569 4.508 0.061 17904 118 1 1 . 1 1 69 69 ASN H H 63 9.641 9.641 8.467 1.174 17904 119 1 1 . 1 1 70 70 MET H H 64 9.001 9.001 8.736 0.265 17904 120 1 1 . 1 1 71 71 SER HA H 65 3.915 3.915 4.178 -0.263 17904 121 1 1 . 1 1 71 71 SER H H 65 7.867 7.867 7.937 -0.070 17904 122 1 1 . 1 1 72 72 GLU HA H 66 3.840 3.840 4.232 -0.392 17904 123 1 1 . 1 1 72 72 GLU H H 66 7.837 7.837 7.795 0.042 17904 124 1 1 . 1 1 73 73 TYR HA H 67 3.869 3.869 4.649 -0.780 17904 125 1 1 . 1 1 73 73 TYR H H 67 8.463 8.463 8.165 0.298 17904 126 1 1 . 1 1 74 74 LEU HA H 68 3.377 3.377 3.705 -0.328 17904 127 1 1 . 1 1 74 74 LEU H H 68 8.164 8.164 8.068 0.096 17904 128 1 1 . 1 1 75 75 THR HA H 69 3.811 3.811 4.219 -0.408 17904 129 1 1 . 1 1 75 75 THR H H 69 7.428 7.428 8.083 -0.655 17904 130 1 1 . 1 1 76 76 ASN HA H 70 4.317 4.317 4.932 -0.615 17904 131 1 1 . 1 1 76 76 ASN H H 70 6.486 6.486 8.482 -1.996 17904 132 1 1 . 1 1 77 77 HIS HA H 71 4.215 4.215 5.111 -0.896 17904 133 1 1 . 1 1 77 77 HIS H H 71 9.673 9.673 8.106 1.567 17904 134 1 1 . 1 1 78 78 ALA HA H 72 3.898 3.898 4.186 -0.288 17904 135 1 1 . 1 1 78 78 ALA H H 72 7.763 7.763 8.490 -0.727 17904 136 1 1 . 1 1 79 79 LYS HA H 73 4.214 4.214 3.983 0.231 17904 137 1 1 . 1 1 79 79 LYS H H 73 7.163 7.163 8.634 -1.471 17904 138 1 1 . 1 1 80 80 TYR HA H 74 4.093 4.093 4.288 -0.195 17904 139 1 1 . 1 1 80 80 TYR H H 74 7.351 7.351 8.192 -0.841 17904 140 1 1 . 1 1 81 81 ILE HA H 75 4.103 4.103 4.338 -0.235 17904 141 1 1 . 1 1 81 81 ILE H H 75 8.335 8.335 7.322 1.013 17904 142 1 1 . 1 1 83 83 GLY H H 77 8.794 8.794 8.725 0.069 17904 143 1 1 . 1 1 84 84 THR HA H 78 4.691 4.691 4.103 0.588 17904 144 1 1 . 1 1 84 84 THR H H 78 8.171 8.171 7.601 0.570 17904 145 1 1 . 1 1 85 85 LYS HA H 79 4.293 4.293 4.584 -0.291 17904 146 1 1 . 1 1 85 85 LYS H H 79 8.790 8.790 8.402 0.388 17904 147 1 1 . 1 1 86 86 MET HA H 80 3.102 3.102 4.694 -1.592 17904 148 1 1 . 1 1 86 86 MET H H 80 7.058 7.058 8.722 -1.664 17904 149 1 1 . 1 1 87 87 ALA HA H 81 4.212 4.212 4.269 -0.057 17904 150 1 1 . 1 1 87 87 ALA H H 81 8.152 8.152 8.429 -0.277 17904 151 1 1 . 1 1 88 88 PHE HA H 82 4.369 4.369 4.360 0.009 17904 152 1 1 . 1 1 88 88 PHE H H 82 6.361 6.361 7.995 -1.634 17904 153 1 1 . 1 1 90 90 GLY H H 84 8.982 8.982 7.843 1.139 17904 154 1 1 . 1 1 91 91 LEU H H 85 8.462 8.462 8.253 0.209 17904 155 1 1 . 1 1 92 92 LYS HA H 86 3.968 3.968 4.067 -0.099 17904 156 1 1 . 1 1 92 92 LYS H H 86 8.707 8.707 8.446 0.261 17904 157 1 1 . 1 1 93 93 LYS HA H 87 4.791 4.791 4.448 0.343 17904 158 1 1 . 1 1 93 93 LYS H H 87 8.984 8.984 8.061 0.923 17904 159 1 1 . 1 1 94 94 GLU HA H 88 3.847 3.847 3.967 -0.120 17904 160 1 1 . 1 1 94 94 GLU H H 88 9.115 9.115 8.703 0.412 17904 161 1 1 . 1 1 95 95 LYS HA H 89 3.968 3.968 4.277 -0.309 17904 162 1 1 . 1 1 95 95 LYS H H 89 8.809 8.809 8.422 0.387 17904 163 1 1 . 1 1 96 96 ASP HA H 90 4.019 4.019 4.459 -0.440 17904 164 1 1 . 1 1 96 96 ASP H H 90 6.540 6.540 8.381 -1.841 17904 165 1 1 . 1 1 97 97 ARG HA H 91 3.937 3.937 3.946 -0.009 17904 166 1 1 . 1 1 97 97 ARG H H 91 7.653 7.653 7.873 -0.220 17904 167 1 1 . 1 1 98 98 ASN HA H 92 3.970 3.970 4.427 -0.457 17904 168 1 1 . 1 1 98 98 ASN H H 92 8.843 8.843 8.043 0.800 17904 169 1 1 . 1 1 99 99 ASP HA H 93 4.262 4.262 4.497 -0.235 17904 170 1 1 . 1 1 99 99 ASP H H 93 8.850 8.850 7.593 1.257 17904 171 1 1 . 1 1 100 100 LEU HA H 94 4.250 4.250 3.935 0.315 17904 172 1 1 . 1 1 100 100 LEU H H 94 8.711 8.711 7.407 1.304 17904 173 1 1 . 1 1 101 101 ILE HA H 95 3.653 3.653 3.377 0.276 17904 174 1 1 . 1 1 101 101 ILE H H 95 9.304 9.304 7.427 1.877 17904 175 1 1 . 1 1 102 102 THR HA H 96 3.890 3.890 4.037 -0.147 17904 176 1 1 . 1 1 102 102 THR H H 96 8.346 8.346 7.621 0.725 17904 177 1 1 . 1 1 103 103 TYR HA H 97 4.129 4.129 4.009 0.120 17904 178 1 1 . 1 1 103 103 TYR H H 97 8.017 8.017 7.705 0.312 17904 179 1 1 . 1 1 104 104 LEU HA H 98 3.360 3.360 3.610 -0.250 17904 180 1 1 . 1 1 104 104 LEU H H 98 9.407 9.407 8.030 1.377 17904 181 1 1 . 1 1 105 105 LYS HA H 99 3.492 3.492 3.305 0.187 17904 182 1 1 . 1 1 105 105 LYS H H 99 8.846 8.846 7.371 1.475 17904 183 1 1 . 1 1 106 106 LYS HA H 100 4.123 4.123 3.846 0.277 17904 184 1 1 . 1 1 106 106 LYS H H 100 6.661 6.661 7.244 -0.583 17904 185 1 1 . 1 1 107 107 ALA HA H 101 3.931 3.931 3.270 0.661 17904 186 1 1 . 1 1 107 107 ALA H H 101 8.465 8.465 6.974 1.491 17904 187 1 1 . 1 1 108 108 THR HA H 102 3.967 3.967 4.360 -0.393 17904 188 1 1 . 1 1 108 108 THR H H 102 7.385 7.385 7.308 0.077 17904 189 1 2 . 1 1 3 3 PHE HA H -3 4.481 4.481 4.671 -0.190 17904 190 1 2 . 1 1 3 3 PHE H H -3 8.881 8.881 7.677 1.204 17904 191 1 2 . 1 1 4 4 LYS HA H -2 3.873 3.873 4.104 -0.231 17904 192 1 2 . 1 1 4 4 LYS H H -2 6.768 6.768 8.645 -1.877 17904 193 1 2 . 1 1 8 8 SER HA H 2 4.840 4.840 4.758 0.082 17904 194 1 2 . 1 1 8 8 SER H H 2 9.588 9.588 8.286 1.302 17904 195 1 2 . 1 1 9 9 ALA HA H 3 4.033 4.033 4.328 -0.295 17904 196 1 2 . 1 1 9 9 ALA H H 3 7.706 7.706 8.991 -1.285 17904 197 1 2 . 1 1 10 10 LYS HA H 4 4.329 4.329 4.027 0.302 17904 198 1 2 . 1 1 10 10 LYS H H 4 8.465 8.465 8.105 0.360 17904 199 1 2 . 1 1 11 11 LYS HA H 5 4.155 4.155 4.063 0.092 17904 200 1 2 . 1 1 11 11 LYS H H 5 7.893 7.893 7.572 0.321 17904 201 1 2 . 1 1 12 12 GLY H H 6 8.906 8.906 7.826 1.080 17904 202 1 2 . 1 1 13 13 ALA HA H 7 2.418 2.418 3.137 -0.719 17904 203 1 2 . 1 1 13 13 ALA H H 7 8.157 8.157 8.351 -0.194 17904 204 1 2 . 1 1 14 14 THR HA H 8 3.940 3.940 3.947 -0.007 17904 205 1 2 . 1 1 14 14 THR H H 8 7.325 7.325 7.618 -0.293 17904 206 1 2 . 1 1 15 15 LEU HA H 9 4.109 4.109 4.156 -0.047 17904 207 1 2 . 1 1 15 15 LEU H H 9 8.044 8.044 7.444 0.600 17904 208 1 2 . 1 1 16 16 PHE HA H 10 4.048 4.048 3.991 0.057 17904 209 1 2 . 1 1 16 16 PHE H H 10 8.956 8.956 8.465 0.491 17904 210 1 2 . 1 1 17 17 LYS HA H 11 4.018 4.018 4.044 -0.026 17904 211 1 2 . 1 1 17 17 LYS H H 11 8.433 8.433 8.703 -0.270 17904 212 1 2 . 1 1 18 18 THR HA H 12 4.305 4.305 4.224 0.081 17904 213 1 2 . 1 1 18 18 THR H H 12 8.023 8.023 8.051 -0.028 17904 214 1 2 . 1 1 19 19 ARG HA H 13 5.317 5.317 4.597 0.720 17904 215 1 2 . 1 1 19 19 ARG H H 13 8.745 8.745 7.566 1.179 17904 216 1 2 . 1 1 20 20 CYS HA H 14 5.441 5.441 4.351 1.090 17904 217 1 2 . 1 1 20 20 CYS H H 14 8.022 8.022 8.618 -0.596 17904 218 1 2 . 1 1 21 21 LEU HA H 15 4.144 4.144 3.942 0.202 17904 219 1 2 . 1 1 21 21 LEU H H 15 7.325 7.325 7.885 -0.560 17904 220 1 2 . 1 1 22 22 GLN HA H 16 4.004 4.004 4.037 -0.033 17904 221 1 2 . 1 1 22 22 GLN H H 16 9.109 9.109 8.406 0.703 17904 222 1 2 . 1 1 23 23 CYS HA H 17 4.341 4.341 4.575 -0.234 17904 223 1 2 . 1 1 23 23 CYS H H 17 7.154 7.154 7.618 -0.464 17904 224 1 2 . 1 1 24 24 HIS HA H 18 3.530 3.530 4.492 -0.962 17904 225 1 2 . 1 1 24 24 HIS H H 18 6.626 6.626 8.310 -1.684 17904 226 1 2 . 1 1 25 25 THR HA H 19 4.514 4.514 4.101 0.413 17904 227 1 2 . 1 1 25 25 THR H H 19 7.223 7.223 7.718 -0.495 17904 228 1 2 . 1 1 26 26 VAL HA H 20 4.085 4.085 4.090 -0.005 17904 229 1 2 . 1 1 26 26 VAL H H 20 8.015 8.015 8.575 -0.560 17904 230 1 2 . 1 1 27 27 GLU HA H 21 4.158 4.158 4.314 -0.156 17904 231 1 2 . 1 1 27 27 GLU H H 21 8.343 8.343 8.468 -0.125 17904 232 1 2 . 1 1 28 28 LYS HA H 22 3.149 3.149 4.160 -1.011 17904 233 1 2 . 1 1 28 28 LYS H H 22 8.673 8.673 8.353 0.320 17904 234 1 2 . 1 1 29 29 GLY H H 23 9.308 9.308 8.374 0.934 17904 235 1 2 . 1 1 30 30 GLY H H 24 7.977 7.977 8.060 -0.083 17904 236 1 2 . 1 1 31 31 PRO HA H 25 4.131 4.131 4.288 -0.157 17904 237 1 2 . 1 1 32 32 HIS HA H 26 4.261 4.261 4.235 0.026 17904 238 1 2 . 1 1 32 32 HIS H H 26 8.337 8.337 8.412 -0.075 17904 239 1 2 . 1 1 33 33 LYS HA H 27 4.197 4.197 3.980 0.217 17904 240 1 2 . 1 1 33 33 LYS H H 27 7.722 7.722 7.918 -0.197 17904 241 1 2 . 1 1 34 34 VAL HA H 28 3.969 3.969 3.992 -0.023 17904 242 1 2 . 1 1 34 34 VAL H H 28 7.175 7.175 8.491 -1.316 17904 243 1 2 . 1 1 35 35 GLY H H 29 7.759 7.759 7.514 0.245 17904 244 1 2 . 1 1 36 36 PRO HA H 30 3.538 3.538 3.922 -0.384 17904 245 1 2 . 1 1 37 37 ASN HA H 31 3.932 3.932 4.612 -0.680 17904 246 1 2 . 1 1 37 37 ASN H H 31 10.796 10.796 9.147 1.649 17904 247 1 2 . 1 1 38 38 LEU HA H 32 3.935 3.935 3.978 -0.043 17904 248 1 2 . 1 1 38 38 LEU H H 32 7.881 7.881 8.462 -0.581 17904 249 1 2 . 1 1 39 39 HIS HA H 33 3.866 3.866 4.773 -0.907 17904 250 1 2 . 1 1 39 39 HIS H H 33 7.395 7.395 8.069 -0.674 17904 251 1 2 . 1 1 40 40 GLY H H 34 9.005 9.005 8.482 0.523 17904 252 1 2 . 1 1 41 41 ILE HA H 35 3.968 3.968 3.815 0.153 17904 253 1 2 . 1 1 41 41 ILE H H 35 7.217 7.217 7.637 -0.420 17904 254 1 2 . 1 1 42 42 PHE HA H 36 4.306 4.306 4.488 -0.182 17904 255 1 2 . 1 1 42 42 PHE H H 36 7.890 7.890 8.354 -0.464 17904 256 1 2 . 1 1 43 43 GLY H H 37 8.792 8.792 8.732 0.060 17904 257 1 2 . 1 1 44 44 ARG HA H 38 4.851 4.851 4.041 0.810 17904 258 1 2 . 1 1 44 44 ARG H H 38 7.974 7.974 8.564 -0.590 17904 259 1 2 . 1 1 45 45 HIS HA H 39 5.616 5.616 4.645 0.971 17904 260 1 2 . 1 1 45 45 HIS H H 39 7.894 7.894 7.459 0.435 17904 261 1 2 . 1 1 46 46 SER HA H 40 5.060 5.060 4.415 0.645 17904 262 1 2 . 1 1 46 46 SER H H 40 8.779 8.779 8.151 0.628 17904 263 1 2 . 1 1 47 47 GLY H H 41 8.279 8.279 8.325 -0.046 17904 264 1 2 . 1 1 48 48 GLN HA H 42 4.659 4.659 4.399 0.260 17904 265 1 2 . 1 1 48 48 GLN H H 42 8.725 8.725 8.283 0.443 17904 266 1 2 . 1 1 49 49 ALA HA H 43 4.141 4.141 4.422 -0.281 17904 267 1 2 . 1 1 49 49 ALA H H 43 8.725 8.725 8.113 0.612 17904 268 1 2 . 1 1 50 50 GLU HA H 44 4.281 4.281 4.131 0.150 17904 269 1 2 . 1 1 50 50 GLU H H 44 8.863 8.863 8.923 -0.060 17904 270 1 2 . 1 1 51 51 GLY H H 45 8.861 8.861 8.676 0.185 17904 271 1 2 . 1 1 52 52 TYR HA H 46 4.031 4.031 4.352 -0.321 17904 272 1 2 . 1 1 52 52 TYR H H 46 7.208 7.208 7.189 0.019 17904 273 1 2 . 1 1 53 53 SER HA H 47 4.411 4.411 4.403 0.008 17904 274 1 2 . 1 1 53 53 SER H H 47 7.047 7.047 7.108 -0.061 17904 275 1 2 . 1 1 54 54 TYR HA H 48 5.260 5.260 4.691 0.569 17904 276 1 2 . 1 1 54 54 TYR H H 48 8.290 8.290 8.360 -0.070 17904 277 1 2 . 1 1 55 55 THR HA H 49 4.521 4.521 4.276 0.245 17904 278 1 2 . 1 1 55 55 THR H H 49 10.374 10.374 8.234 2.140 17904 279 1 2 . 1 1 56 56 ASP HA H 50 4.131 4.131 4.381 -0.250 17904 280 1 2 . 1 1 56 56 ASP H H 50 8.689 8.689 8.829 -0.140 17904 281 1 2 . 1 1 57 57 ALA HA H 51 3.902 3.902 3.912 -0.010 17904 282 1 2 . 1 1 57 57 ALA H H 51 7.709 7.709 8.116 -0.407 17904 283 1 2 . 1 1 58 58 ASN HA H 52 4.141 4.141 4.536 -0.395 17904 284 1 2 . 1 1 58 58 ASN H H 52 8.285 8.285 7.685 0.600 17904 285 1 2 . 1 1 59 59 ILE HA H 53 3.354 3.354 3.773 -0.419 17904 286 1 2 . 1 1 59 59 ILE H H 53 7.708 7.708 7.467 0.241 17904 287 1 2 . 1 1 60 60 LYS HA H 54 3.874 3.874 4.012 -0.138 17904 288 1 2 . 1 1 60 60 LYS H H 54 9.160 9.160 8.478 0.682 17904 289 1 2 . 1 1 61 61 LYS HA H 55 3.834 3.834 4.170 -0.336 17904 290 1 2 . 1 1 61 61 LYS H H 55 7.484 7.484 7.725 -0.241 17904 291 1 2 . 1 1 62 62 ASN HA H 56 4.297 4.297 4.217 0.080 17904 292 1 2 . 1 1 62 62 ASN H H 56 7.052 7.052 7.861 -0.809 17904 293 1 2 . 1 1 63 63 VAL HA H 57 3.708 3.708 4.131 -0.423 17904 294 1 2 . 1 1 63 63 VAL H H 57 7.420 7.420 7.749 -0.329 17904 295 1 2 . 1 1 64 64 LEU HA H 58 3.841 3.841 4.468 -0.627 17904 296 1 2 . 1 1 64 64 LEU H H 58 8.346 8.346 8.040 0.306 17904 297 1 2 . 1 1 65 65 TRP HA H 59 5.061 5.061 4.433 0.628 17904 298 1 2 . 1 1 65 65 TRP H H 59 8.014 8.014 8.315 -0.301 17904 299 1 2 . 1 1 66 66 ASP HA H 60 4.982 4.982 5.141 -0.159 17904 300 1 2 . 1 1 66 66 ASP H H 60 9.639 9.639 8.213 1.426 17904 301 1 2 . 1 1 67 67 GLU HA H 61 3.665 3.665 4.201 -0.536 17904 302 1 2 . 1 1 67 67 GLU H H 61 10.320 10.320 8.965 1.355 17904 303 1 2 . 1 1 68 68 ASN HA H 62 4.621 4.621 4.545 0.076 17904 304 1 2 . 1 1 68 68 ASN H H 62 8.337 8.337 8.216 0.121 17904 305 1 2 . 1 1 69 69 ASN HA H 63 4.569 4.569 4.537 0.032 17904 306 1 2 . 1 1 69 69 ASN H H 63 9.641 9.641 8.269 1.372 17904 307 1 2 . 1 1 70 70 MET H H 64 9.001 9.001 8.672 0.329 17904 308 1 2 . 1 1 71 71 SER HA H 65 3.915 3.915 4.085 -0.170 17904 309 1 2 . 1 1 71 71 SER H H 65 7.867 7.867 8.051 -0.184 17904 310 1 2 . 1 1 72 72 GLU HA H 66 3.840 3.840 4.356 -0.516 17904 311 1 2 . 1 1 72 72 GLU H H 66 7.837 7.837 7.643 0.194 17904 312 1 2 . 1 1 73 73 TYR HA H 67 3.869 3.869 4.674 -0.805 17904 313 1 2 . 1 1 73 73 TYR H H 67 8.463 8.463 8.440 0.023 17904 314 1 2 . 1 1 74 74 LEU HA H 68 3.377 3.377 3.877 -0.500 17904 315 1 2 . 1 1 74 74 LEU H H 68 8.164 8.164 8.090 0.074 17904 316 1 2 . 1 1 75 75 THR HA H 69 3.811 3.811 4.176 -0.365 17904 317 1 2 . 1 1 75 75 THR H H 69 7.428 7.428 7.874 -0.446 17904 318 1 2 . 1 1 76 76 ASN HA H 70 4.317 4.317 5.055 -0.738 17904 319 1 2 . 1 1 76 76 ASN H H 70 6.486 6.486 8.598 -2.112 17904 320 1 2 . 1 1 77 77 HIS HA H 71 4.215 4.215 4.863 -0.648 17904 321 1 2 . 1 1 77 77 HIS H H 71 9.673 9.673 7.922 1.751 17904 322 1 2 . 1 1 78 78 ALA HA H 72 3.898 3.898 4.282 -0.384 17904 323 1 2 . 1 1 78 78 ALA H H 72 7.763 7.763 8.688 -0.925 17904 324 1 2 . 1 1 79 79 LYS HA H 73 4.214 4.214 4.066 0.148 17904 325 1 2 . 1 1 79 79 LYS H H 73 7.163 7.163 7.726 -0.563 17904 326 1 2 . 1 1 80 80 TYR HA H 74 4.093 4.093 4.651 -0.558 17904 327 1 2 . 1 1 80 80 TYR H H 74 7.351 7.351 7.941 -0.590 17904 328 1 2 . 1 1 81 81 ILE HA H 75 4.103 4.103 4.460 -0.357 17904 329 1 2 . 1 1 81 81 ILE H H 75 8.335 8.335 7.057 1.278 17904 330 1 2 . 1 1 83 83 GLY H H 77 8.794 8.794 8.496 0.298 17904 331 1 2 . 1 1 84 84 THR HA H 78 4.691 4.691 4.110 0.581 17904 332 1 2 . 1 1 84 84 THR H H 78 8.171 8.171 7.532 0.639 17904 333 1 2 . 1 1 85 85 LYS HA H 79 4.293 4.293 4.569 -0.276 17904 334 1 2 . 1 1 85 85 LYS H H 79 8.790 8.790 8.388 0.402 17904 335 1 2 . 1 1 86 86 MET HA H 80 3.102 3.102 4.752 -1.650 17904 336 1 2 . 1 1 86 86 MET H H 80 7.058 7.058 8.806 -1.748 17904 337 1 2 . 1 1 87 87 ALA HA H 81 4.212 4.212 4.210 0.002 17904 338 1 2 . 1 1 87 87 ALA H H 81 8.152 8.152 8.709 -0.557 17904 339 1 2 . 1 1 88 88 PHE HA H 82 4.369 4.369 4.098 0.271 17904 340 1 2 . 1 1 88 88 PHE H H 82 6.361 6.361 7.988 -1.627 17904 341 1 2 . 1 1 90 90 GLY H H 84 8.982 8.982 8.236 0.746 17904 342 1 2 . 1 1 91 91 LEU H H 85 8.462 8.462 8.335 0.127 17904 343 1 2 . 1 1 92 92 LYS HA H 86 3.968 3.968 4.046 -0.078 17904 344 1 2 . 1 1 92 92 LYS H H 86 8.707 8.707 8.602 0.105 17904 345 1 2 . 1 1 93 93 LYS HA H 87 4.791 4.791 4.484 0.307 17904 346 1 2 . 1 1 93 93 LYS H H 87 8.984 8.984 7.938 1.046 17904 347 1 2 . 1 1 94 94 GLU HA H 88 3.847 3.847 3.941 -0.094 17904 348 1 2 . 1 1 94 94 GLU H H 88 9.115 9.115 8.873 0.242 17904 349 1 2 . 1 1 95 95 LYS HA H 89 3.968 3.968 4.000 -0.032 17904 350 1 2 . 1 1 95 95 LYS H H 89 8.809 8.809 8.445 0.364 17904 351 1 2 . 1 1 96 96 ASP HA H 90 4.019 4.019 4.418 -0.399 17904 352 1 2 . 1 1 96 96 ASP H H 90 6.540 6.540 8.012 -1.472 17904 353 1 2 . 1 1 97 97 ARG HA H 91 3.937 3.937 3.961 -0.024 17904 354 1 2 . 1 1 97 97 ARG H H 91 7.653 7.653 7.597 0.056 17904 355 1 2 . 1 1 98 98 ASN HA H 92 3.970 3.970 4.364 -0.394 17904 356 1 2 . 1 1 98 98 ASN H H 92 8.843 8.843 8.113 0.730 17904 357 1 2 . 1 1 99 99 ASP HA H 93 4.262 4.262 4.544 -0.282 17904 358 1 2 . 1 1 99 99 ASP H H 93 8.850 8.850 7.638 1.212 17904 359 1 2 . 1 1 100 100 LEU HA H 94 4.250 4.250 4.043 0.207 17904 360 1 2 . 1 1 100 100 LEU H H 94 8.711 8.711 7.965 0.746 17904 361 1 2 . 1 1 101 101 ILE HA H 95 3.653 3.653 3.378 0.275 17904 362 1 2 . 1 1 101 101 ILE H H 95 9.304 9.304 7.700 1.604 17904 363 1 2 . 1 1 102 102 THR HA H 96 3.890 3.890 4.066 -0.176 17904 364 1 2 . 1 1 102 102 THR H H 96 8.346 8.346 7.539 0.807 17904 365 1 2 . 1 1 103 103 TYR HA H 97 4.129 4.129 4.029 0.100 17904 366 1 2 . 1 1 103 103 TYR H H 97 8.017 8.017 7.656 0.361 17904 367 1 2 . 1 1 104 104 LEU HA H 98 3.360 3.360 3.748 -0.388 17904 368 1 2 . 1 1 104 104 LEU H H 98 9.407 9.407 7.852 1.555 17904 369 1 2 . 1 1 105 105 LYS HA H 99 3.492 3.492 3.366 0.126 17904 370 1 2 . 1 1 105 105 LYS H H 99 8.846 8.846 7.489 1.357 17904 371 1 2 . 1 1 106 106 LYS HA H 100 4.123 4.123 3.904 0.219 17904 372 1 2 . 1 1 106 106 LYS H H 100 6.661 6.661 7.106 -0.445 17904 373 1 2 . 1 1 107 107 ALA HA H 101 3.931 3.931 4.135 -0.204 17904 374 1 2 . 1 1 107 107 ALA H H 101 8.465 8.465 7.348 1.117 17904 375 1 2 . 1 1 108 108 THR HA H 102 3.967 3.967 4.392 -0.425 17904 376 1 2 . 1 1 108 108 THR H H 102 7.385 7.385 7.424 -0.039 17904 377 1 3 . 1 1 3 3 PHE HA H -3 4.481 4.481 4.675 -0.194 17904 378 1 3 . 1 1 3 3 PHE H H -3 8.881 8.881 7.923 0.958 17904 379 1 3 . 1 1 4 4 LYS HA H -2 3.873 3.873 4.134 -0.261 17904 380 1 3 . 1 1 4 4 LYS H H -2 6.768 6.768 8.540 -1.772 17904 381 1 3 . 1 1 8 8 SER HA H 2 4.840 4.840 4.762 0.078 17904 382 1 3 . 1 1 8 8 SER H H 2 9.588 9.588 8.269 1.319 17904 383 1 3 . 1 1 9 9 ALA HA H 3 4.033 4.033 4.304 -0.271 17904 384 1 3 . 1 1 9 9 ALA H H 3 7.706 7.706 8.996 -1.290 17904 385 1 3 . 1 1 10 10 LYS HA H 4 4.329 4.329 4.032 0.297 17904 386 1 3 . 1 1 10 10 LYS H H 4 8.465 8.465 8.570 -0.105 17904 387 1 3 . 1 1 11 11 LYS HA H 5 4.155 4.155 4.039 0.116 17904 388 1 3 . 1 1 11 11 LYS H H 5 7.893 7.893 7.561 0.332 17904 389 1 3 . 1 1 12 12 GLY H H 6 8.906 8.906 7.962 0.944 17904 390 1 3 . 1 1 13 13 ALA HA H 7 2.418 2.418 3.201 -0.783 17904 391 1 3 . 1 1 13 13 ALA H H 7 8.157 8.157 8.645 -0.488 17904 392 1 3 . 1 1 14 14 THR HA H 8 3.940 3.940 4.010 -0.070 17904 393 1 3 . 1 1 14 14 THR H H 8 7.325 7.325 7.690 -0.365 17904 394 1 3 . 1 1 15 15 LEU HA H 9 4.109 4.109 4.139 -0.030 17904 395 1 3 . 1 1 15 15 LEU H H 9 8.044 8.044 7.577 0.467 17904 396 1 3 . 1 1 16 16 PHE HA H 10 4.048 4.048 4.005 0.043 17904 397 1 3 . 1 1 16 16 PHE H H 10 8.956 8.956 8.753 0.203 17904 398 1 3 . 1 1 17 17 LYS HA H 11 4.018 4.018 4.049 -0.031 17904 399 1 3 . 1 1 17 17 LYS H H 11 8.433 8.433 8.448 -0.015 17904 400 1 3 . 1 1 18 18 THR HA H 12 4.305 4.305 4.279 0.026 17904 401 1 3 . 1 1 18 18 THR H H 12 8.023 8.023 7.782 0.241 17904 402 1 3 . 1 1 19 19 ARG HA H 13 5.317 5.317 4.543 0.774 17904 403 1 3 . 1 1 19 19 ARG H H 13 8.745 8.745 7.678 1.067 17904 404 1 3 . 1 1 20 20 CYS HA H 14 5.441 5.441 4.403 1.038 17904 405 1 3 . 1 1 20 20 CYS H H 14 8.022 8.022 8.129 -0.107 17904 406 1 3 . 1 1 21 21 LEU HA H 15 4.144 4.144 3.981 0.163 17904 407 1 3 . 1 1 21 21 LEU H H 15 7.325 7.325 7.703 -0.378 17904 408 1 3 . 1 1 22 22 GLN HA H 16 4.004 4.004 3.946 0.058 17904 409 1 3 . 1 1 22 22 GLN H H 16 9.109 9.109 8.297 0.812 17904 410 1 3 . 1 1 23 23 CYS HA H 17 4.341 4.341 4.458 -0.117 17904 411 1 3 . 1 1 23 23 CYS H H 17 7.154 7.154 7.664 -0.510 17904 412 1 3 . 1 1 24 24 HIS HA H 18 3.530 3.530 4.505 -0.975 17904 413 1 3 . 1 1 24 24 HIS H H 18 6.626 6.626 8.344 -1.718 17904 414 1 3 . 1 1 25 25 THR HA H 19 4.514 4.514 4.214 0.300 17904 415 1 3 . 1 1 25 25 THR H H 19 7.223 7.223 9.004 -1.781 17904 416 1 3 . 1 1 26 26 VAL HA H 20 4.085 4.085 3.701 0.384 17904 417 1 3 . 1 1 26 26 VAL H H 20 8.015 8.015 9.076 -1.061 17904 418 1 3 . 1 1 27 27 GLU HA H 21 4.158 4.158 3.934 0.224 17904 419 1 3 . 1 1 27 27 GLU H H 21 8.343 8.343 8.713 -0.370 17904 420 1 3 . 1 1 28 28 LYS HA H 22 3.149 3.149 3.920 -0.771 17904 421 1 3 . 1 1 28 28 LYS H H 22 8.673 8.673 8.336 0.337 17904 422 1 3 . 1 1 29 29 GLY H H 23 9.308 9.308 8.155 1.153 17904 423 1 3 . 1 1 30 30 GLY H H 24 7.977 7.977 7.440 0.537 17904 424 1 3 . 1 1 31 31 PRO HA H 25 4.131 4.131 4.356 -0.225 17904 425 1 3 . 1 1 32 32 HIS HA H 26 4.261 4.261 4.172 0.089 17904 426 1 3 . 1 1 32 32 HIS H H 26 8.337 8.337 8.362 -0.025 17904 427 1 3 . 1 1 33 33 LYS HA H 27 4.197 4.197 3.961 0.236 17904 428 1 3 . 1 1 33 33 LYS H H 27 7.722 7.722 8.197 -0.475 17904 429 1 3 . 1 1 34 34 VAL HA H 28 3.969 3.969 4.037 -0.068 17904 430 1 3 . 1 1 34 34 VAL H H 28 7.175 7.175 8.217 -1.042 17904 431 1 3 . 1 1 35 35 GLY H H 29 7.759 7.759 7.385 0.374 17904 432 1 3 . 1 1 36 36 PRO HA H 30 3.538 3.538 4.197 -0.659 17904 433 1 3 . 1 1 37 37 ASN HA H 31 3.932 3.932 4.300 -0.368 17904 434 1 3 . 1 1 37 37 ASN H H 31 10.796 10.796 9.305 1.491 17904 435 1 3 . 1 1 38 38 LEU HA H 32 3.935 3.935 3.994 -0.059 17904 436 1 3 . 1 1 38 38 LEU H H 32 7.881 7.881 8.596 -0.715 17904 437 1 3 . 1 1 39 39 HIS HA H 33 3.866 3.866 4.617 -0.751 17904 438 1 3 . 1 1 39 39 HIS H H 33 7.395 7.395 8.391 -0.996 17904 439 1 3 . 1 1 40 40 GLY H H 34 9.005 9.005 8.319 0.686 17904 440 1 3 . 1 1 41 41 ILE HA H 35 3.968 3.968 3.931 0.037 17904 441 1 3 . 1 1 41 41 ILE H H 35 7.217 7.217 7.994 -0.777 17904 442 1 3 . 1 1 42 42 PHE HA H 36 4.306 4.306 4.832 -0.526 17904 443 1 3 . 1 1 42 42 PHE H H 36 7.890 7.890 7.670 0.220 17904 444 1 3 . 1 1 43 43 GLY H H 37 8.792 8.792 8.092 0.700 17904 445 1 3 . 1 1 44 44 ARG HA H 38 4.851 4.851 3.962 0.889 17904 446 1 3 . 1 1 44 44 ARG H H 38 7.974 7.974 8.440 -0.466 17904 447 1 3 . 1 1 45 45 HIS HA H 39 5.616 5.616 4.323 1.293 17904 448 1 3 . 1 1 45 45 HIS H H 39 7.894 7.894 8.346 -0.452 17904 449 1 3 . 1 1 46 46 SER HA H 40 5.060 5.060 4.385 0.675 17904 450 1 3 . 1 1 46 46 SER H H 40 8.779 8.779 8.418 0.361 17904 451 1 3 . 1 1 47 47 GLY H H 41 8.279 8.279 8.666 -0.387 17904 452 1 3 . 1 1 48 48 GLN HA H 42 4.659 4.659 4.305 0.354 17904 453 1 3 . 1 1 48 48 GLN H H 42 8.725 8.725 8.230 0.495 17904 454 1 3 . 1 1 49 49 ALA HA H 43 4.141 4.141 4.431 -0.290 17904 455 1 3 . 1 1 49 49 ALA H H 43 8.725 8.725 8.146 0.579 17904 456 1 3 . 1 1 50 50 GLU HA H 44 4.281 4.281 4.186 0.095 17904 457 1 3 . 1 1 50 50 GLU H H 44 8.863 8.863 8.635 0.228 17904 458 1 3 . 1 1 51 51 GLY H H 45 8.861 8.861 8.644 0.217 17904 459 1 3 . 1 1 52 52 TYR HA H 46 4.031 4.031 4.336 -0.305 17904 460 1 3 . 1 1 52 52 TYR H H 46 7.208 7.208 7.057 0.151 17904 461 1 3 . 1 1 53 53 SER HA H 47 4.411 4.411 4.382 0.029 17904 462 1 3 . 1 1 53 53 SER H H 47 7.047 7.047 7.245 -0.198 17904 463 1 3 . 1 1 54 54 TYR HA H 48 5.260 5.260 4.675 0.585 17904 464 1 3 . 1 1 54 54 TYR H H 48 8.290 8.290 8.321 -0.031 17904 465 1 3 . 1 1 55 55 THR HA H 49 4.521 4.521 4.068 0.453 17904 466 1 3 . 1 1 55 55 THR H H 49 10.374 10.374 8.812 1.562 17904 467 1 3 . 1 1 56 56 ASP HA H 50 4.131 4.131 4.330 -0.199 17904 468 1 3 . 1 1 56 56 ASP H H 50 8.689 8.689 8.256 0.433 17904 469 1 3 . 1 1 57 57 ALA HA H 51 3.902 3.902 3.968 -0.066 17904 470 1 3 . 1 1 57 57 ALA H H 51 7.709 7.709 8.007 -0.298 17904 471 1 3 . 1 1 58 58 ASN HA H 52 4.141 4.141 4.409 -0.268 17904 472 1 3 . 1 1 58 58 ASN H H 52 8.285 8.285 8.756 -0.471 17904 473 1 3 . 1 1 59 59 ILE HA H 53 3.354 3.354 3.894 -0.540 17904 474 1 3 . 1 1 59 59 ILE H H 53 7.708 7.708 7.838 -0.130 17904 475 1 3 . 1 1 60 60 LYS HA H 54 3.874 3.874 4.024 -0.150 17904 476 1 3 . 1 1 60 60 LYS H H 54 9.160 9.160 8.218 0.942 17904 477 1 3 . 1 1 61 61 LYS HA H 55 3.834 3.834 4.111 -0.277 17904 478 1 3 . 1 1 61 61 LYS H H 55 7.484 7.484 7.664 -0.180 17904 479 1 3 . 1 1 62 62 ASN HA H 56 4.297 4.297 4.284 0.013 17904 480 1 3 . 1 1 62 62 ASN H H 56 7.052 7.052 7.469 -0.417 17904 481 1 3 . 1 1 63 63 VAL HA H 57 3.708 3.708 3.912 -0.204 17904 482 1 3 . 1 1 63 63 VAL H H 57 7.420 7.420 7.748 -0.328 17904 483 1 3 . 1 1 64 64 LEU HA H 58 3.841 3.841 4.060 -0.219 17904 484 1 3 . 1 1 64 64 LEU H H 58 8.346 8.346 7.540 0.806 17904 485 1 3 . 1 1 65 65 TRP HA H 59 5.061 5.061 4.244 0.817 17904 486 1 3 . 1 1 65 65 TRP H H 59 8.014 8.014 8.163 -0.149 17904 487 1 3 . 1 1 66 66 ASP HA H 60 4.982 4.982 5.032 -0.050 17904 488 1 3 . 1 1 66 66 ASP H H 60 9.639 9.639 7.984 1.655 17904 489 1 3 . 1 1 67 67 GLU HA H 61 3.665 3.665 3.972 -0.307 17904 490 1 3 . 1 1 67 67 GLU H H 61 10.320 10.320 8.889 1.431 17904 491 1 3 . 1 1 68 68 ASN HA H 62 4.621 4.621 4.513 0.108 17904 492 1 3 . 1 1 68 68 ASN H H 62 8.337 8.337 8.315 0.022 17904 493 1 3 . 1 1 69 69 ASN HA H 63 4.569 4.569 4.576 -0.007 17904 494 1 3 . 1 1 69 69 ASN H H 63 9.641 9.641 9.484 0.157 17904 495 1 3 . 1 1 70 70 MET H H 64 9.001 9.001 8.594 0.407 17904 496 1 3 . 1 1 71 71 SER HA H 65 3.915 3.915 4.210 -0.295 17904 497 1 3 . 1 1 71 71 SER H H 65 7.867 7.867 7.906 -0.039 17904 498 1 3 . 1 1 72 72 GLU HA H 66 3.840 3.840 4.301 -0.461 17904 499 1 3 . 1 1 72 72 GLU H H 66 7.837 7.837 7.625 0.212 17904 500 1 3 . 1 1 73 73 TYR HA H 67 3.869 3.869 4.587 -0.718 17904 501 1 3 . 1 1 73 73 TYR H H 67 8.463 8.463 8.317 0.146 17904 502 1 3 . 1 1 74 74 LEU HA H 68 3.377 3.377 3.797 -0.420 17904 503 1 3 . 1 1 74 74 LEU H H 68 8.164 8.164 8.069 0.095 17904 504 1 3 . 1 1 75 75 THR HA H 69 3.811 3.811 4.183 -0.372 17904 505 1 3 . 1 1 75 75 THR H H 69 7.428 7.428 7.980 -0.552 17904 506 1 3 . 1 1 76 76 ASN HA H 70 4.317 4.317 4.930 -0.613 17904 507 1 3 . 1 1 76 76 ASN H H 70 6.486 6.486 8.459 -1.973 17904 508 1 3 . 1 1 77 77 HIS HA H 71 4.215 4.215 4.888 -0.673 17904 509 1 3 . 1 1 77 77 HIS H H 71 9.673 9.673 7.671 2.002 17904 510 1 3 . 1 1 78 78 ALA HA H 72 3.898 3.898 3.901 -0.003 17904 511 1 3 . 1 1 78 78 ALA H H 72 7.763 7.763 8.581 -0.818 17904 512 1 3 . 1 1 79 79 LYS HA H 73 4.214 4.214 4.112 0.102 17904 513 1 3 . 1 1 79 79 LYS H H 73 7.163 7.163 8.431 -1.268 17904 514 1 3 . 1 1 80 80 TYR HA H 74 4.093 4.093 4.679 -0.586 17904 515 1 3 . 1 1 80 80 TYR H H 74 7.351 7.351 8.086 -0.735 17904 516 1 3 . 1 1 81 81 ILE HA H 75 4.103 4.103 4.444 -0.341 17904 517 1 3 . 1 1 81 81 ILE H H 75 8.335 8.335 7.091 1.244 17904 518 1 3 . 1 1 83 83 GLY H H 77 8.794 8.794 8.090 0.704 17904 519 1 3 . 1 1 84 84 THR HA H 78 4.691 4.691 4.223 0.468 17904 520 1 3 . 1 1 84 84 THR H H 78 8.171 8.171 7.856 0.315 17904 521 1 3 . 1 1 85 85 LYS HA H 79 4.293 4.293 4.503 -0.210 17904 522 1 3 . 1 1 85 85 LYS H H 79 8.790 8.790 8.402 0.388 17904 523 1 3 . 1 1 86 86 MET HA H 80 3.102 3.102 4.763 -1.661 17904 524 1 3 . 1 1 86 86 MET H H 80 7.058 7.058 8.762 -1.704 17904 525 1 3 . 1 1 87 87 ALA HA H 81 4.212 4.212 4.165 0.047 17904 526 1 3 . 1 1 87 87 ALA H H 81 8.152 8.152 8.736 -0.584 17904 527 1 3 . 1 1 88 88 PHE HA H 82 4.369 4.369 4.095 0.274 17904 528 1 3 . 1 1 88 88 PHE H H 82 6.361 6.361 8.042 -1.681 17904 529 1 3 . 1 1 90 90 GLY H H 84 8.982 8.982 8.057 0.925 17904 530 1 3 . 1 1 91 91 LEU H H 85 8.462 8.462 8.498 -0.036 17904 531 1 3 . 1 1 92 92 LYS HA H 86 3.968 3.968 4.066 -0.098 17904 532 1 3 . 1 1 92 92 LYS H H 86 8.707 8.707 8.419 0.288 17904 533 1 3 . 1 1 93 93 LYS HA H 87 4.791 4.791 4.455 0.336 17904 534 1 3 . 1 1 93 93 LYS H H 87 8.984 8.984 8.053 0.931 17904 535 1 3 . 1 1 94 94 GLU HA H 88 3.847 3.847 3.976 -0.129 17904 536 1 3 . 1 1 94 94 GLU H H 88 9.115 9.115 8.728 0.387 17904 537 1 3 . 1 1 95 95 LYS HA H 89 3.968 3.968 4.052 -0.084 17904 538 1 3 . 1 1 95 95 LYS H H 89 8.809 8.809 8.488 0.321 17904 539 1 3 . 1 1 96 96 ASP HA H 90 4.019 4.019 4.652 -0.633 17904 540 1 3 . 1 1 96 96 ASP H H 90 6.540 6.540 8.392 -1.852 17904 541 1 3 . 1 1 97 97 ARG HA H 91 3.937 3.937 4.032 -0.095 17904 542 1 3 . 1 1 97 97 ARG H H 91 7.653 7.653 7.885 -0.232 17904 543 1 3 . 1 1 98 98 ASN HA H 92 3.970 3.970 4.622 -0.652 17904 544 1 3 . 1 1 98 98 ASN H H 92 8.843 8.843 8.080 0.763 17904 545 1 3 . 1 1 99 99 ASP HA H 93 4.262 4.262 4.528 -0.266 17904 546 1 3 . 1 1 99 99 ASP H H 93 8.850 8.850 7.700 1.150 17904 547 1 3 . 1 1 100 100 LEU HA H 94 4.250 4.250 4.054 0.196 17904 548 1 3 . 1 1 100 100 LEU H H 94 8.711 8.711 7.303 1.408 17904 549 1 3 . 1 1 101 101 ILE HA H 95 3.653 3.653 3.515 0.138 17904 550 1 3 . 1 1 101 101 ILE H H 95 9.304 9.304 7.273 2.031 17904 551 1 3 . 1 1 102 102 THR HA H 96 3.890 3.890 4.183 -0.293 17904 552 1 3 . 1 1 102 102 THR H H 96 8.346 8.346 7.873 0.473 17904 553 1 3 . 1 1 103 103 TYR HA H 97 4.129 4.129 4.049 0.080 17904 554 1 3 . 1 1 103 103 TYR H H 97 8.017 8.017 7.788 0.229 17904 555 1 3 . 1 1 104 104 LEU HA H 98 3.360 3.360 3.539 -0.179 17904 556 1 3 . 1 1 104 104 LEU H H 98 9.407 9.407 8.243 1.164 17904 557 1 3 . 1 1 105 105 LYS HA H 99 3.492 3.492 3.310 0.182 17904 558 1 3 . 1 1 105 105 LYS H H 99 8.846 8.846 7.422 1.424 17904 559 1 3 . 1 1 106 106 LYS HA H 100 4.123 4.123 3.798 0.325 17904 560 1 3 . 1 1 106 106 LYS H H 100 6.661 6.661 7.269 -0.608 17904 561 1 3 . 1 1 107 107 ALA HA H 101 3.931 3.931 3.496 0.435 17904 562 1 3 . 1 1 107 107 ALA H H 101 8.465 8.465 6.834 1.631 17904 563 1 3 . 1 1 108 108 THR HA H 102 3.967 3.967 4.266 -0.299 17904 564 1 3 . 1 1 108 108 THR H H 102 7.385 7.385 7.180 0.205 17904 565 1 4 . 1 1 3 3 PHE HA H -3 4.481 4.481 4.786 -0.305 17904 566 1 4 . 1 1 3 3 PHE H H -3 8.881 8.881 8.546 0.335 17904 567 1 4 . 1 1 4 4 LYS HA H -2 3.873 3.873 4.261 -0.388 17904 568 1 4 . 1 1 4 4 LYS H H -2 6.768 6.768 8.716 -1.948 17904 569 1 4 . 1 1 8 8 SER HA H 2 4.840 4.840 4.692 0.148 17904 570 1 4 . 1 1 8 8 SER H H 2 9.588 9.588 8.088 1.500 17904 571 1 4 . 1 1 9 9 ALA HA H 3 4.033 4.033 4.334 -0.301 17904 572 1 4 . 1 1 9 9 ALA H H 3 7.706 7.706 8.984 -1.278 17904 573 1 4 . 1 1 10 10 LYS HA H 4 4.329 4.329 4.025 0.304 17904 574 1 4 . 1 1 10 10 LYS H H 4 8.465 8.465 8.169 0.296 17904 575 1 4 . 1 1 11 11 LYS HA H 5 4.155 4.155 4.048 0.107 17904 576 1 4 . 1 1 11 11 LYS H H 5 7.893 7.893 7.527 0.366 17904 577 1 4 . 1 1 12 12 GLY H H 6 8.906 8.906 7.903 1.003 17904 578 1 4 . 1 1 13 13 ALA HA H 7 2.418 2.418 2.752 -0.334 17904 579 1 4 . 1 1 13 13 ALA H H 7 8.157 8.157 8.349 -0.192 17904 580 1 4 . 1 1 14 14 THR HA H 8 3.940 3.940 3.967 -0.027 17904 581 1 4 . 1 1 14 14 THR H H 8 7.325 7.325 7.521 -0.196 17904 582 1 4 . 1 1 15 15 LEU HA H 9 4.109 4.109 4.007 0.102 17904 583 1 4 . 1 1 15 15 LEU H H 9 8.044 8.044 7.459 0.585 17904 584 1 4 . 1 1 16 16 PHE HA H 10 4.048 4.048 3.823 0.225 17904 585 1 4 . 1 1 16 16 PHE H H 10 8.956 8.956 8.654 0.302 17904 586 1 4 . 1 1 17 17 LYS HA H 11 4.018 4.018 3.989 0.029 17904 587 1 4 . 1 1 17 17 LYS H H 11 8.433 8.433 8.224 0.209 17904 588 1 4 . 1 1 18 18 THR HA H 12 4.305 4.305 4.325 -0.020 17904 589 1 4 . 1 1 18 18 THR H H 12 8.023 8.023 8.017 0.006 17904 590 1 4 . 1 1 19 19 ARG HA H 13 5.317 5.317 4.471 0.846 17904 591 1 4 . 1 1 19 19 ARG H H 13 8.745 8.745 7.701 1.044 17904 592 1 4 . 1 1 20 20 CYS HA H 14 5.441 5.441 4.239 1.202 17904 593 1 4 . 1 1 20 20 CYS H H 14 8.022 8.022 8.205 -0.183 17904 594 1 4 . 1 1 21 21 LEU HA H 15 4.144 4.144 4.482 -0.338 17904 595 1 4 . 1 1 21 21 LEU H H 15 7.325 7.325 7.448 -0.123 17904 596 1 4 . 1 1 22 22 GLN HA H 16 4.004 4.004 3.965 0.039 17904 597 1 4 . 1 1 22 22 GLN H H 16 9.109 9.109 8.372 0.737 17904 598 1 4 . 1 1 23 23 CYS HA H 17 4.341 4.341 4.422 -0.081 17904 599 1 4 . 1 1 23 23 CYS H H 17 7.154 7.154 7.880 -0.726 17904 600 1 4 . 1 1 24 24 HIS HA H 18 3.530 3.530 4.420 -0.890 17904 601 1 4 . 1 1 24 24 HIS H H 18 6.626 6.626 8.416 -1.790 17904 602 1 4 . 1 1 25 25 THR HA H 19 4.514 4.514 4.094 0.420 17904 603 1 4 . 1 1 25 25 THR H H 19 7.223 7.223 8.098 -0.875 17904 604 1 4 . 1 1 26 26 VAL HA H 20 4.085 4.085 4.438 -0.353 17904 605 1 4 . 1 1 26 26 VAL H H 20 8.015 8.015 9.052 -1.037 17904 606 1 4 . 1 1 27 27 GLU HA H 21 4.158 4.158 4.278 -0.120 17904 607 1 4 . 1 1 27 27 GLU H H 21 8.343 8.343 7.674 0.669 17904 608 1 4 . 1 1 28 28 LYS HA H 22 3.149 3.149 3.590 -0.441 17904 609 1 4 . 1 1 28 28 LYS H H 22 8.673 8.673 8.127 0.546 17904 610 1 4 . 1 1 29 29 GLY H H 23 9.308 9.308 7.848 1.460 17904 611 1 4 . 1 1 30 30 GLY H H 24 7.977 7.977 7.935 0.042 17904 612 1 4 . 1 1 31 31 PRO HA H 25 4.131 4.131 4.220 -0.089 17904 613 1 4 . 1 1 32 32 HIS HA H 26 4.261 4.261 4.653 -0.392 17904 614 1 4 . 1 1 32 32 HIS H H 26 8.337 8.337 8.529 -0.192 17904 615 1 4 . 1 1 33 33 LYS HA H 27 4.197 4.197 4.519 -0.322 17904 616 1 4 . 1 1 33 33 LYS H H 27 7.722 7.722 7.992 -0.270 17904 617 1 4 . 1 1 34 34 VAL HA H 28 3.969 3.969 3.932 0.037 17904 618 1 4 . 1 1 34 34 VAL H H 28 7.175 7.175 8.374 -1.199 17904 619 1 4 . 1 1 35 35 GLY H H 29 7.759 7.759 7.570 0.189 17904 620 1 4 . 1 1 36 36 PRO HA H 30 3.538 3.538 4.073 -0.535 17904 621 1 4 . 1 1 37 37 ASN HA H 31 3.932 3.932 4.719 -0.787 17904 622 1 4 . 1 1 37 37 ASN H H 31 10.796 10.796 8.933 1.863 17904 623 1 4 . 1 1 38 38 LEU HA H 32 3.935 3.935 4.019 -0.084 17904 624 1 4 . 1 1 38 38 LEU H H 32 7.881 7.881 8.453 -0.572 17904 625 1 4 . 1 1 39 39 HIS HA H 33 3.866 3.866 4.832 -0.966 17904 626 1 4 . 1 1 39 39 HIS H H 33 7.395 7.395 8.530 -1.135 17904 627 1 4 . 1 1 40 40 GLY H H 34 9.005 9.005 8.575 0.430 17904 628 1 4 . 1 1 41 41 ILE HA H 35 3.968 3.968 3.652 0.316 17904 629 1 4 . 1 1 41 41 ILE H H 35 7.217 7.217 7.986 -0.769 17904 630 1 4 . 1 1 42 42 PHE HA H 36 4.306 4.306 4.643 -0.337 17904 631 1 4 . 1 1 42 42 PHE H H 36 7.890 7.890 7.603 0.287 17904 632 1 4 . 1 1 43 43 GLY H H 37 8.792 8.792 8.466 0.326 17904 633 1 4 . 1 1 44 44 ARG HA H 38 4.851 4.851 4.690 0.161 17904 634 1 4 . 1 1 44 44 ARG H H 38 7.974 7.974 8.326 -0.352 17904 635 1 4 . 1 1 45 45 HIS HA H 39 5.616 5.616 4.234 1.382 17904 636 1 4 . 1 1 45 45 HIS H H 39 7.894 7.894 8.234 -0.340 17904 637 1 4 . 1 1 46 46 SER HA H 40 5.060 5.060 4.352 0.708 17904 638 1 4 . 1 1 46 46 SER H H 40 8.779 8.779 7.945 0.834 17904 639 1 4 . 1 1 47 47 GLY H H 41 8.279 8.279 8.307 -0.028 17904 640 1 4 . 1 1 48 48 GLN HA H 42 4.659 4.659 4.365 0.294 17904 641 1 4 . 1 1 48 48 GLN H H 42 8.725 8.725 8.224 0.501 17904 642 1 4 . 1 1 49 49 ALA HA H 43 4.141 4.141 4.399 -0.258 17904 643 1 4 . 1 1 49 49 ALA H H 43 8.725 8.725 8.091 0.634 17904 644 1 4 . 1 1 50 50 GLU HA H 44 4.281 4.281 4.086 0.195 17904 645 1 4 . 1 1 50 50 GLU H H 44 8.863 8.863 9.071 -0.208 17904 646 1 4 . 1 1 51 51 GLY H H 45 8.861 8.861 8.207 0.654 17904 647 1 4 . 1 1 52 52 TYR HA H 46 4.031 4.031 4.121 -0.090 17904 648 1 4 . 1 1 52 52 TYR H H 46 7.208 7.208 7.123 0.085 17904 649 1 4 . 1 1 53 53 SER HA H 47 4.411 4.411 4.511 -0.100 17904 650 1 4 . 1 1 53 53 SER H H 47 7.047 7.047 7.078 -0.031 17904 651 1 4 . 1 1 54 54 TYR HA H 48 5.260 5.260 4.740 0.520 17904 652 1 4 . 1 1 54 54 TYR H H 48 8.290 8.290 8.367 -0.077 17904 653 1 4 . 1 1 55 55 THR HA H 49 4.521 4.521 4.296 0.225 17904 654 1 4 . 1 1 55 55 THR H H 49 10.374 10.374 8.279 2.095 17904 655 1 4 . 1 1 56 56 ASP HA H 50 4.131 4.131 4.328 -0.197 17904 656 1 4 . 1 1 56 56 ASP H H 50 8.689 8.689 8.834 -0.145 17904 657 1 4 . 1 1 57 57 ALA HA H 51 3.902 3.902 3.876 0.026 17904 658 1 4 . 1 1 57 57 ALA H H 51 7.709 7.709 8.063 -0.354 17904 659 1 4 . 1 1 58 58 ASN HA H 52 4.141 4.141 4.421 -0.280 17904 660 1 4 . 1 1 58 58 ASN H H 52 8.285 8.285 7.770 0.515 17904 661 1 4 . 1 1 59 59 ILE HA H 53 3.354 3.354 3.736 -0.382 17904 662 1 4 . 1 1 59 59 ILE H H 53 7.708 7.708 7.398 0.310 17904 663 1 4 . 1 1 60 60 LYS HA H 54 3.874 3.874 3.996 -0.122 17904 664 1 4 . 1 1 60 60 LYS H H 54 9.160 9.160 8.601 0.559 17904 665 1 4 . 1 1 61 61 LYS HA H 55 3.834 3.834 4.150 -0.316 17904 666 1 4 . 1 1 61 61 LYS H H 55 7.484 7.484 7.700 -0.216 17904 667 1 4 . 1 1 62 62 ASN HA H 56 4.297 4.297 4.191 0.106 17904 668 1 4 . 1 1 62 62 ASN H H 56 7.052 7.052 7.930 -0.878 17904 669 1 4 . 1 1 63 63 VAL HA H 57 3.708 3.708 4.174 -0.466 17904 670 1 4 . 1 1 63 63 VAL H H 57 7.420 7.420 7.769 -0.349 17904 671 1 4 . 1 1 64 64 LEU HA H 58 3.841 3.841 4.500 -0.659 17904 672 1 4 . 1 1 64 64 LEU H H 58 8.346 8.346 8.171 0.175 17904 673 1 4 . 1 1 65 65 TRP HA H 59 5.061 5.061 4.520 0.541 17904 674 1 4 . 1 1 65 65 TRP H H 59 8.014 8.014 8.378 -0.364 17904 675 1 4 . 1 1 66 66 ASP HA H 60 4.982 4.982 5.206 -0.224 17904 676 1 4 . 1 1 66 66 ASP H H 60 9.639 9.639 8.594 1.045 17904 677 1 4 . 1 1 67 67 GLU HA H 61 3.665 3.665 4.188 -0.523 17904 678 1 4 . 1 1 67 67 GLU H H 61 10.320 10.320 8.882 1.438 17904 679 1 4 . 1 1 68 68 ASN HA H 62 4.621 4.621 4.562 0.059 17904 680 1 4 . 1 1 68 68 ASN H H 62 8.337 8.337 8.467 -0.130 17904 681 1 4 . 1 1 69 69 ASN HA H 63 4.569 4.569 4.565 0.004 17904 682 1 4 . 1 1 69 69 ASN H H 63 9.641 9.641 8.411 1.230 17904 683 1 4 . 1 1 70 70 MET H H 64 9.001 9.001 8.728 0.273 17904 684 1 4 . 1 1 71 71 SER HA H 65 3.915 3.915 4.209 -0.294 17904 685 1 4 . 1 1 71 71 SER H H 65 7.867 7.867 8.013 -0.146 17904 686 1 4 . 1 1 72 72 GLU HA H 66 3.840 3.840 4.305 -0.465 17904 687 1 4 . 1 1 72 72 GLU H H 66 7.837 7.837 7.641 0.196 17904 688 1 4 . 1 1 73 73 TYR HA H 67 3.869 3.869 4.497 -0.628 17904 689 1 4 . 1 1 73 73 TYR H H 67 8.463 8.463 8.388 0.075 17904 690 1 4 . 1 1 74 74 LEU HA H 68 3.377 3.377 3.578 -0.201 17904 691 1 4 . 1 1 74 74 LEU H H 68 8.164 8.164 7.913 0.251 17904 692 1 4 . 1 1 75 75 THR HA H 69 3.811 3.811 4.198 -0.387 17904 693 1 4 . 1 1 75 75 THR H H 69 7.428 7.428 8.195 -0.767 17904 694 1 4 . 1 1 76 76 ASN HA H 70 4.317 4.317 5.001 -0.684 17904 695 1 4 . 1 1 76 76 ASN H H 70 6.486 6.486 8.475 -1.989 17904 696 1 4 . 1 1 77 77 HIS HA H 71 4.215 4.215 5.219 -1.004 17904 697 1 4 . 1 1 77 77 HIS H H 71 9.673 9.673 8.102 1.571 17904 698 1 4 . 1 1 78 78 ALA HA H 72 3.898 3.898 4.224 -0.326 17904 699 1 4 . 1 1 78 78 ALA H H 72 7.763 7.763 8.573 -0.810 17904 700 1 4 . 1 1 79 79 LYS HA H 73 4.214 4.214 4.016 0.198 17904 701 1 4 . 1 1 79 79 LYS H H 73 7.163 7.163 8.562 -1.399 17904 702 1 4 . 1 1 80 80 TYR HA H 74 4.093 4.093 4.310 -0.217 17904 703 1 4 . 1 1 80 80 TYR H H 74 7.351 7.351 8.235 -0.884 17904 704 1 4 . 1 1 81 81 ILE HA H 75 4.103 4.103 4.316 -0.213 17904 705 1 4 . 1 1 81 81 ILE H H 75 8.335 8.335 7.427 0.908 17904 706 1 4 . 1 1 83 83 GLY H H 77 8.794 8.794 8.693 0.101 17904 707 1 4 . 1 1 84 84 THR HA H 78 4.691 4.691 4.270 0.421 17904 708 1 4 . 1 1 84 84 THR H H 78 8.171 8.171 7.824 0.347 17904 709 1 4 . 1 1 85 85 LYS HA H 79 4.293 4.293 4.558 -0.265 17904 710 1 4 . 1 1 85 85 LYS H H 79 8.790 8.790 8.561 0.229 17904 711 1 4 . 1 1 86 86 MET HA H 80 3.102 3.102 4.678 -1.576 17904 712 1 4 . 1 1 86 86 MET H H 80 7.058 7.058 8.758 -1.700 17904 713 1 4 . 1 1 87 87 ALA HA H 81 4.212 4.212 4.231 -0.019 17904 714 1 4 . 1 1 87 87 ALA H H 81 8.152 8.152 8.439 -0.287 17904 715 1 4 . 1 1 88 88 PHE HA H 82 4.369 4.369 4.443 -0.074 17904 716 1 4 . 1 1 88 88 PHE H H 82 6.361 6.361 7.899 -1.538 17904 717 1 4 . 1 1 90 90 GLY H H 84 8.982 8.982 7.477 1.505 17904 718 1 4 . 1 1 91 91 LEU H H 85 8.462 8.462 7.970 0.492 17904 719 1 4 . 1 1 92 92 LYS HA H 86 3.968 3.968 4.008 -0.040 17904 720 1 4 . 1 1 92 92 LYS H H 86 8.707 8.707 8.491 0.216 17904 721 1 4 . 1 1 93 93 LYS HA H 87 4.791 4.791 4.272 0.519 17904 722 1 4 . 1 1 93 93 LYS H H 87 8.984 8.984 7.995 0.989 17904 723 1 4 . 1 1 94 94 GLU HA H 88 3.847 3.847 4.006 -0.159 17904 724 1 4 . 1 1 94 94 GLU H H 88 9.115 9.115 8.165 0.950 17904 725 1 4 . 1 1 95 95 LYS HA H 89 3.968 3.968 4.027 -0.059 17904 726 1 4 . 1 1 95 95 LYS H H 89 8.809 8.809 8.555 0.254 17904 727 1 4 . 1 1 96 96 ASP HA H 90 4.019 4.019 4.429 -0.410 17904 728 1 4 . 1 1 96 96 ASP H H 90 6.540 6.540 8.422 -1.882 17904 729 1 4 . 1 1 97 97 ARG HA H 91 3.937 3.937 3.932 0.005 17904 730 1 4 . 1 1 97 97 ARG H H 91 7.653 7.653 7.822 -0.169 17904 731 1 4 . 1 1 98 98 ASN HA H 92 3.970 3.970 4.383 -0.413 17904 732 1 4 . 1 1 98 98 ASN H H 92 8.843 8.843 7.997 0.846 17904 733 1 4 . 1 1 99 99 ASP HA H 93 4.262 4.262 4.540 -0.278 17904 734 1 4 . 1 1 99 99 ASP H H 93 8.850 8.850 7.659 1.191 17904 735 1 4 . 1 1 100 100 LEU HA H 94 4.250 4.250 4.036 0.214 17904 736 1 4 . 1 1 100 100 LEU H H 94 8.711 8.711 8.166 0.545 17904 737 1 4 . 1 1 101 101 ILE HA H 95 3.653 3.653 3.449 0.204 17904 738 1 4 . 1 1 101 101 ILE H H 95 9.304 9.304 7.775 1.529 17904 739 1 4 . 1 1 102 102 THR HA H 96 3.890 3.890 4.158 -0.268 17904 740 1 4 . 1 1 102 102 THR H H 96 8.346 8.346 7.540 0.806 17904 741 1 4 . 1 1 103 103 TYR HA H 97 4.129 4.129 4.085 0.044 17904 742 1 4 . 1 1 103 103 TYR H H 97 8.017 8.017 7.671 0.346 17904 743 1 4 . 1 1 104 104 LEU HA H 98 3.360 3.360 3.638 -0.278 17904 744 1 4 . 1 1 104 104 LEU H H 98 9.407 9.407 7.753 1.654 17904 745 1 4 . 1 1 105 105 LYS HA H 99 3.492 3.492 3.429 0.063 17904 746 1 4 . 1 1 105 105 LYS H H 99 8.846 8.846 7.343 1.503 17904 747 1 4 . 1 1 106 106 LYS HA H 100 4.123 4.123 3.887 0.236 17904 748 1 4 . 1 1 106 106 LYS H H 100 6.661 6.661 7.148 -0.487 17904 749 1 4 . 1 1 107 107 ALA HA H 101 3.931 3.931 3.639 0.292 17904 750 1 4 . 1 1 107 107 ALA H H 101 8.465 8.465 7.098 1.367 17904 751 1 4 . 1 1 108 108 THR HA H 102 3.967 3.967 4.292 -0.325 17904 752 1 4 . 1 1 108 108 THR H H 102 7.385 7.385 7.215 0.170 17904 753 1 5 . 1 1 3 3 PHE HA H -3 4.481 4.481 4.693 -0.212 17904 754 1 5 . 1 1 3 3 PHE H H -3 8.881 8.881 8.421 0.460 17904 755 1 5 . 1 1 4 4 LYS HA H -2 3.873 3.873 4.217 -0.344 17904 756 1 5 . 1 1 4 4 LYS H H -2 6.768 6.768 8.585 -1.817 17904 757 1 5 . 1 1 8 8 SER HA H 2 4.840 4.840 4.735 0.105 17904 758 1 5 . 1 1 8 8 SER H H 2 9.588 9.588 8.311 1.277 17904 759 1 5 . 1 1 9 9 ALA HA H 3 4.033 4.033 4.298 -0.265 17904 760 1 5 . 1 1 9 9 ALA H H 3 7.706 7.706 8.979 -1.273 17904 761 1 5 . 1 1 10 10 LYS HA H 4 4.329 4.329 4.018 0.311 17904 762 1 5 . 1 1 10 10 LYS H H 4 8.465 8.465 8.567 -0.102 17904 763 1 5 . 1 1 11 11 LYS HA H 5 4.155 4.155 4.098 0.057 17904 764 1 5 . 1 1 11 11 LYS H H 5 7.893 7.893 7.543 0.350 17904 765 1 5 . 1 1 12 12 GLY H H 6 8.906 8.906 8.016 0.890 17904 766 1 5 . 1 1 13 13 ALA HA H 7 2.418 2.418 3.357 -0.939 17904 767 1 5 . 1 1 13 13 ALA H H 7 8.157 8.157 8.642 -0.485 17904 768 1 5 . 1 1 14 14 THR HA H 8 3.940 3.940 4.017 -0.077 17904 769 1 5 . 1 1 14 14 THR H H 8 7.325 7.325 7.931 -0.606 17904 770 1 5 . 1 1 15 15 LEU HA H 9 4.109 4.109 4.178 -0.069 17904 771 1 5 . 1 1 15 15 LEU H H 9 8.044 8.044 7.804 0.240 17904 772 1 5 . 1 1 16 16 PHE HA H 10 4.048 4.048 4.035 0.013 17904 773 1 5 . 1 1 16 16 PHE H H 10 8.956 8.956 8.722 0.234 17904 774 1 5 . 1 1 17 17 LYS HA H 11 4.018 4.018 4.085 -0.067 17904 775 1 5 . 1 1 17 17 LYS H H 11 8.433 8.433 8.415 0.018 17904 776 1 5 . 1 1 18 18 THR HA H 12 4.305 4.305 4.271 0.034 17904 777 1 5 . 1 1 18 18 THR H H 12 8.023 8.023 8.027 -0.004 17904 778 1 5 . 1 1 19 19 ARG HA H 13 5.317 5.317 4.582 0.735 17904 779 1 5 . 1 1 19 19 ARG H H 13 8.745 8.745 7.807 0.938 17904 780 1 5 . 1 1 20 20 CYS HA H 14 5.441 5.441 4.398 1.043 17904 781 1 5 . 1 1 20 20 CYS H H 14 8.022 8.022 8.442 -0.420 17904 782 1 5 . 1 1 21 21 LEU HA H 15 4.144 4.144 4.773 -0.629 17904 783 1 5 . 1 1 21 21 LEU H H 15 7.325 7.325 7.457 -0.132 17904 784 1 5 . 1 1 22 22 GLN HA H 16 4.004 4.004 3.928 0.076 17904 785 1 5 . 1 1 22 22 GLN H H 16 9.109 9.109 8.941 0.168 17904 786 1 5 . 1 1 23 23 CYS HA H 17 4.341 4.341 4.457 -0.116 17904 787 1 5 . 1 1 23 23 CYS H H 17 7.154 7.154 8.173 -1.019 17904 788 1 5 . 1 1 24 24 HIS HA H 18 3.530 3.530 5.057 -1.527 17904 789 1 5 . 1 1 24 24 HIS H H 18 6.626 6.626 8.517 -1.891 17904 790 1 5 . 1 1 25 25 THR HA H 19 4.514 4.514 3.959 0.555 17904 791 1 5 . 1 1 25 25 THR H H 19 7.223 7.223 8.527 -1.304 17904 792 1 5 . 1 1 26 26 VAL HA H 20 4.085 4.085 3.817 0.268 17904 793 1 5 . 1 1 26 26 VAL H H 20 8.015 8.015 8.114 -0.099 17904 794 1 5 . 1 1 27 27 GLU HA H 21 4.158 4.158 4.162 -0.004 17904 795 1 5 . 1 1 27 27 GLU H H 21 8.343 8.343 8.136 0.207 17904 796 1 5 . 1 1 28 28 LYS HA H 22 3.149 3.149 3.255 -0.106 17904 797 1 5 . 1 1 28 28 LYS H H 22 8.673 8.673 7.506 1.167 17904 798 1 5 . 1 1 29 29 GLY H H 23 9.308 9.308 8.314 0.994 17904 799 1 5 . 1 1 30 30 GLY H H 24 7.977 7.977 7.598 0.379 17904 800 1 5 . 1 1 31 31 PRO HA H 25 4.131 4.131 4.187 -0.056 17904 801 1 5 . 1 1 32 32 HIS HA H 26 4.261 4.261 4.668 -0.407 17904 802 1 5 . 1 1 32 32 HIS H H 26 8.337 8.337 8.446 -0.109 17904 803 1 5 . 1 1 33 33 LYS HA H 27 4.197 4.197 4.545 -0.348 17904 804 1 5 . 1 1 33 33 LYS H H 27 7.722 7.722 7.991 -0.269 17904 805 1 5 . 1 1 34 34 VAL HA H 28 3.969 3.969 3.904 0.065 17904 806 1 5 . 1 1 34 34 VAL H H 28 7.175 7.175 8.375 -1.200 17904 807 1 5 . 1 1 35 35 GLY H H 29 7.759 7.759 7.190 0.569 17904 808 1 5 . 1 1 36 36 PRO HA H 30 3.538 3.538 4.081 -0.543 17904 809 1 5 . 1 1 37 37 ASN HA H 31 3.932 3.932 4.499 -0.567 17904 810 1 5 . 1 1 37 37 ASN H H 31 10.796 10.796 9.144 1.652 17904 811 1 5 . 1 1 38 38 LEU HA H 32 3.935 3.935 3.911 0.024 17904 812 1 5 . 1 1 38 38 LEU H H 32 7.881 7.881 8.589 -0.708 17904 813 1 5 . 1 1 39 39 HIS HA H 33 3.866 3.866 4.559 -0.693 17904 814 1 5 . 1 1 39 39 HIS H H 33 7.395 7.395 8.389 -0.994 17904 815 1 5 . 1 1 40 40 GLY H H 34 9.005 9.005 8.265 0.740 17904 816 1 5 . 1 1 41 41 ILE HA H 35 3.968 3.968 3.827 0.141 17904 817 1 5 . 1 1 41 41 ILE H H 35 7.217 7.217 7.978 -0.761 17904 818 1 5 . 1 1 42 42 PHE HA H 36 4.306 4.306 4.515 -0.209 17904 819 1 5 . 1 1 42 42 PHE H H 36 7.890 7.890 7.574 0.316 17904 820 1 5 . 1 1 43 43 GLY H H 37 8.792 8.792 7.950 0.842 17904 821 1 5 . 1 1 44 44 ARG HA H 38 4.851 4.851 4.246 0.605 17904 822 1 5 . 1 1 44 44 ARG H H 38 7.974 7.974 8.474 -0.500 17904 823 1 5 . 1 1 45 45 HIS HA H 39 5.616 5.616 4.432 1.184 17904 824 1 5 . 1 1 45 45 HIS H H 39 7.894 7.894 7.728 0.166 17904 825 1 5 . 1 1 46 46 SER HA H 40 5.060 5.060 4.365 0.695 17904 826 1 5 . 1 1 46 46 SER H H 40 8.779 8.779 8.216 0.563 17904 827 1 5 . 1 1 47 47 GLY H H 41 8.279 8.279 8.464 -0.185 17904 828 1 5 . 1 1 48 48 GLN HA H 42 4.659 4.659 4.357 0.302 17904 829 1 5 . 1 1 48 48 GLN H H 42 8.725 8.725 8.148 0.577 17904 830 1 5 . 1 1 49 49 ALA HA H 43 4.141 4.141 4.404 -0.263 17904 831 1 5 . 1 1 49 49 ALA H H 43 8.725 8.725 8.067 0.658 17904 832 1 5 . 1 1 50 50 GLU HA H 44 4.281 4.281 4.109 0.172 17904 833 1 5 . 1 1 50 50 GLU H H 44 8.863 8.863 8.937 -0.074 17904 834 1 5 . 1 1 51 51 GLY H H 45 8.861 8.861 8.600 0.261 17904 835 1 5 . 1 1 52 52 TYR HA H 46 4.031 4.031 4.419 -0.388 17904 836 1 5 . 1 1 52 52 TYR H H 46 7.208 7.208 7.154 0.054 17904 837 1 5 . 1 1 53 53 SER HA H 47 4.411 4.411 4.489 -0.078 17904 838 1 5 . 1 1 53 53 SER H H 47 7.047 7.047 7.353 -0.306 17904 839 1 5 . 1 1 54 54 TYR HA H 48 5.260 5.260 4.707 0.553 17904 840 1 5 . 1 1 54 54 TYR H H 48 8.290 8.290 8.485 -0.195 17904 841 1 5 . 1 1 55 55 THR HA H 49 4.521 4.521 4.265 0.256 17904 842 1 5 . 1 1 55 55 THR H H 49 10.374 10.374 8.373 2.001 17904 843 1 5 . 1 1 56 56 ASP HA H 50 4.131 4.131 4.355 -0.224 17904 844 1 5 . 1 1 56 56 ASP H H 50 8.689 8.689 8.837 -0.148 17904 845 1 5 . 1 1 57 57 ALA HA H 51 3.902 3.902 3.943 -0.041 17904 846 1 5 . 1 1 57 57 ALA H H 51 7.709 7.709 8.041 -0.332 17904 847 1 5 . 1 1 58 58 ASN HA H 52 4.141 4.141 4.413 -0.272 17904 848 1 5 . 1 1 58 58 ASN H H 52 8.285 8.285 7.599 0.686 17904 849 1 5 . 1 1 59 59 ILE HA H 53 3.354 3.354 3.750 -0.396 17904 850 1 5 . 1 1 59 59 ILE H H 53 7.708 7.708 7.674 0.034 17904 851 1 5 . 1 1 60 60 LYS HA H 54 3.874 3.874 3.997 -0.123 17904 852 1 5 . 1 1 60 60 LYS H H 54 9.160 9.160 8.469 0.691 17904 853 1 5 . 1 1 61 61 LYS HA H 55 3.834 3.834 4.066 -0.232 17904 854 1 5 . 1 1 61 61 LYS H H 55 7.484 7.484 8.043 -0.559 17904 855 1 5 . 1 1 62 62 ASN HA H 56 4.297 4.297 4.407 -0.110 17904 856 1 5 . 1 1 62 62 ASN H H 56 7.052 7.052 7.735 -0.683 17904 857 1 5 . 1 1 63 63 VAL HA H 57 3.708 3.708 3.842 -0.134 17904 858 1 5 . 1 1 63 63 VAL H H 57 7.420 7.420 7.957 -0.537 17904 859 1 5 . 1 1 64 64 LEU HA H 58 3.841 3.841 4.152 -0.311 17904 860 1 5 . 1 1 64 64 LEU H H 58 8.346 8.346 7.591 0.755 17904 861 1 5 . 1 1 65 65 TRP HA H 59 5.061 5.061 4.490 0.571 17904 862 1 5 . 1 1 65 65 TRP H H 59 8.014 8.014 8.254 -0.240 17904 863 1 5 . 1 1 66 66 ASP HA H 60 4.982 4.982 5.074 -0.092 17904 864 1 5 . 1 1 66 66 ASP H H 60 9.639 9.639 8.516 1.123 17904 865 1 5 . 1 1 67 67 GLU HA H 61 3.665 3.665 3.993 -0.328 17904 866 1 5 . 1 1 67 67 GLU H H 61 10.320 10.320 8.891 1.429 17904 867 1 5 . 1 1 68 68 ASN HA H 62 4.621 4.621 4.613 0.008 17904 868 1 5 . 1 1 68 68 ASN H H 62 8.337 8.337 8.474 -0.137 17904 869 1 5 . 1 1 69 69 ASN HA H 63 4.569 4.569 4.519 0.050 17904 870 1 5 . 1 1 69 69 ASN H H 63 9.641 9.641 8.432 1.209 17904 871 1 5 . 1 1 70 70 MET H H 64 9.001 9.001 8.277 0.724 17904 872 1 5 . 1 1 71 71 SER HA H 65 3.915 3.915 4.104 -0.189 17904 873 1 5 . 1 1 71 71 SER H H 65 7.867 7.867 7.822 0.045 17904 874 1 5 . 1 1 72 72 GLU HA H 66 3.840 3.840 4.251 -0.411 17904 875 1 5 . 1 1 72 72 GLU H H 66 7.837 7.837 7.676 0.161 17904 876 1 5 . 1 1 73 73 TYR HA H 67 3.869 3.869 4.685 -0.816 17904 877 1 5 . 1 1 73 73 TYR H H 67 8.463 8.463 8.323 0.140 17904 878 1 5 . 1 1 74 74 LEU HA H 68 3.377 3.377 3.541 -0.164 17904 879 1 5 . 1 1 74 74 LEU H H 68 8.164 8.164 7.849 0.315 17904 880 1 5 . 1 1 75 75 THR HA H 69 3.811 3.811 4.122 -0.311 17904 881 1 5 . 1 1 75 75 THR H H 69 7.428 7.428 7.807 -0.379 17904 882 1 5 . 1 1 76 76 ASN HA H 70 4.317 4.317 5.119 -0.802 17904 883 1 5 . 1 1 76 76 ASN H H 70 6.486 6.486 8.515 -2.029 17904 884 1 5 . 1 1 77 77 HIS HA H 71 4.215 4.215 5.135 -0.920 17904 885 1 5 . 1 1 77 77 HIS H H 71 9.673 9.673 8.228 1.445 17904 886 1 5 . 1 1 78 78 ALA HA H 72 3.898 3.898 4.269 -0.371 17904 887 1 5 . 1 1 78 78 ALA H H 72 7.763 7.763 8.338 -0.575 17904 888 1 5 . 1 1 79 79 LYS HA H 73 4.214 4.214 4.070 0.144 17904 889 1 5 . 1 1 79 79 LYS H H 73 7.163 7.163 8.547 -1.384 17904 890 1 5 . 1 1 80 80 TYR HA H 74 4.093 4.093 4.287 -0.194 17904 891 1 5 . 1 1 80 80 TYR H H 74 7.351 7.351 7.827 -0.476 17904 892 1 5 . 1 1 81 81 ILE HA H 75 4.103 4.103 4.285 -0.182 17904 893 1 5 . 1 1 81 81 ILE H H 75 8.335 8.335 7.280 1.055 17904 894 1 5 . 1 1 83 83 GLY H H 77 8.794 8.794 8.530 0.264 17904 895 1 5 . 1 1 84 84 THR HA H 78 4.691 4.691 4.115 0.576 17904 896 1 5 . 1 1 84 84 THR H H 78 8.171 8.171 7.596 0.575 17904 897 1 5 . 1 1 85 85 LYS HA H 79 4.293 4.293 4.523 -0.230 17904 898 1 5 . 1 1 85 85 LYS H H 79 8.790 8.790 8.452 0.338 17904 899 1 5 . 1 1 86 86 MET HA H 80 3.102 3.102 4.775 -1.673 17904 900 1 5 . 1 1 86 86 MET H H 80 7.058 7.058 8.935 -1.877 17904 901 1 5 . 1 1 87 87 ALA HA H 81 4.212 4.212 4.162 0.050 17904 902 1 5 . 1 1 87 87 ALA H H 81 8.152 8.152 8.795 -0.643 17904 903 1 5 . 1 1 88 88 PHE HA H 82 4.369 4.369 4.059 0.310 17904 904 1 5 . 1 1 88 88 PHE H H 82 6.361 6.361 8.010 -1.649 17904 905 1 5 . 1 1 90 90 GLY H H 84 8.982 8.982 8.049 0.933 17904 906 1 5 . 1 1 91 91 LEU H H 85 8.462 8.462 8.480 -0.018 17904 907 1 5 . 1 1 92 92 LYS HA H 86 3.968 3.968 4.050 -0.082 17904 908 1 5 . 1 1 92 92 LYS H H 86 8.707 8.707 8.568 0.139 17904 909 1 5 . 1 1 93 93 LYS HA H 87 4.791 4.791 4.412 0.379 17904 910 1 5 . 1 1 93 93 LYS H H 87 8.984 8.984 8.063 0.921 17904 911 1 5 . 1 1 94 94 GLU HA H 88 3.847 3.847 3.947 -0.100 17904 912 1 5 . 1 1 94 94 GLU H H 88 9.115 9.115 8.643 0.472 17904 913 1 5 . 1 1 95 95 LYS HA H 89 3.968 3.968 4.235 -0.267 17904 914 1 5 . 1 1 95 95 LYS H H 89 8.809 8.809 8.421 0.388 17904 915 1 5 . 1 1 96 96 ASP HA H 90 4.019 4.019 4.453 -0.434 17904 916 1 5 . 1 1 96 96 ASP H H 90 6.540 6.540 8.419 -1.879 17904 917 1 5 . 1 1 97 97 ARG HA H 91 3.937 3.937 3.996 -0.059 17904 918 1 5 . 1 1 97 97 ARG H H 91 7.653 7.653 8.024 -0.371 17904 919 1 5 . 1 1 98 98 ASN HA H 92 3.970 3.970 4.557 -0.587 17904 920 1 5 . 1 1 98 98 ASN H H 92 8.843 8.843 8.158 0.685 17904 921 1 5 . 1 1 99 99 ASP HA H 93 4.262 4.262 4.513 -0.251 17904 922 1 5 . 1 1 99 99 ASP H H 93 8.850 8.850 7.552 1.298 17904 923 1 5 . 1 1 100 100 LEU HA H 94 4.250 4.250 4.005 0.245 17904 924 1 5 . 1 1 100 100 LEU H H 94 8.711 8.711 7.473 1.238 17904 925 1 5 . 1 1 101 101 ILE HA H 95 3.653 3.653 3.447 0.206 17904 926 1 5 . 1 1 101 101 ILE H H 95 9.304 9.304 7.587 1.717 17904 927 1 5 . 1 1 102 102 THR HA H 96 3.890 3.890 4.088 -0.198 17904 928 1 5 . 1 1 102 102 THR H H 96 8.346 8.346 7.896 0.450 17904 929 1 5 . 1 1 103 103 TYR HA H 97 4.129 4.129 4.063 0.066 17904 930 1 5 . 1 1 103 103 TYR H H 97 8.017 8.017 8.066 -0.049 17904 931 1 5 . 1 1 104 104 LEU HA H 98 3.360 3.360 3.738 -0.378 17904 932 1 5 . 1 1 104 104 LEU H H 98 9.407 9.407 8.219 1.188 17904 933 1 5 . 1 1 105 105 LYS HA H 99 3.492 3.492 3.510 -0.018 17904 934 1 5 . 1 1 105 105 LYS H H 99 8.846 8.846 7.504 1.342 17904 935 1 5 . 1 1 106 106 LYS HA H 100 4.123 4.123 3.894 0.229 17904 936 1 5 . 1 1 106 106 LYS H H 100 6.661 6.661 7.193 -0.532 17904 937 1 5 . 1 1 107 107 ALA HA H 101 3.931 3.931 3.255 0.676 17904 938 1 5 . 1 1 107 107 ALA H H 101 8.465 8.465 7.180 1.285 17904 939 1 5 . 1 1 108 108 THR HA H 102 3.967 3.967 4.248 -0.281 17904 940 1 5 . 1 1 108 108 THR H H 102 7.385 7.385 7.256 0.129 17904 941 1 6 . 1 1 3 3 PHE HA H -3 4.481 4.481 4.664 -0.183 17904 942 1 6 . 1 1 3 3 PHE H H -3 8.881 8.881 7.701 1.180 17904 943 1 6 . 1 1 4 4 LYS HA H -2 3.873 3.873 4.140 -0.267 17904 944 1 6 . 1 1 4 4 LYS H H -2 6.768 6.768 8.241 -1.473 17904 945 1 6 . 1 1 8 8 SER HA H 2 4.840 4.840 4.865 -0.025 17904 946 1 6 . 1 1 8 8 SER H H 2 9.588 9.588 8.351 1.237 17904 947 1 6 . 1 1 9 9 ALA HA H 3 4.033 4.033 4.348 -0.315 17904 948 1 6 . 1 1 9 9 ALA H H 3 7.706 7.706 8.935 -1.229 17904 949 1 6 . 1 1 10 10 LYS HA H 4 4.329 4.329 4.059 0.270 17904 950 1 6 . 1 1 10 10 LYS H H 4 8.465 8.465 8.647 -0.182 17904 951 1 6 . 1 1 11 11 LYS HA H 5 4.155 4.155 4.057 0.098 17904 952 1 6 . 1 1 11 11 LYS H H 5 7.893 7.893 8.295 -0.402 17904 953 1 6 . 1 1 12 12 GLY H H 6 8.906 8.906 7.746 1.160 17904 954 1 6 . 1 1 13 13 ALA HA H 7 2.418 2.418 3.362 -0.944 17904 955 1 6 . 1 1 13 13 ALA H H 7 8.157 8.157 8.653 -0.496 17904 956 1 6 . 1 1 14 14 THR HA H 8 3.940 3.940 3.931 0.009 17904 957 1 6 . 1 1 14 14 THR H H 8 7.325 7.325 7.909 -0.584 17904 958 1 6 . 1 1 15 15 LEU HA H 9 4.109 4.109 4.143 -0.034 17904 959 1 6 . 1 1 15 15 LEU H H 9 8.044 8.044 7.461 0.583 17904 960 1 6 . 1 1 16 16 PHE HA H 10 4.048 4.048 4.073 -0.025 17904 961 1 6 . 1 1 16 16 PHE H H 10 8.956 8.956 8.828 0.128 17904 962 1 6 . 1 1 17 17 LYS HA H 11 4.018 4.018 4.019 -0.001 17904 963 1 6 . 1 1 17 17 LYS H H 11 8.433 8.433 8.695 -0.262 17904 964 1 6 . 1 1 18 18 THR HA H 12 4.305 4.305 4.227 0.078 17904 965 1 6 . 1 1 18 18 THR H H 12 8.023 8.023 8.185 -0.162 17904 966 1 6 . 1 1 19 19 ARG HA H 13 5.317 5.317 4.575 0.742 17904 967 1 6 . 1 1 19 19 ARG H H 13 8.745 8.745 7.508 1.237 17904 968 1 6 . 1 1 20 20 CYS HA H 14 5.441 5.441 4.202 1.239 17904 969 1 6 . 1 1 20 20 CYS H H 14 8.022 8.022 8.548 -0.526 17904 970 1 6 . 1 1 21 21 LEU HA H 15 4.144 4.144 4.195 -0.051 17904 971 1 6 . 1 1 21 21 LEU H H 15 7.325 7.325 7.779 -0.454 17904 972 1 6 . 1 1 22 22 GLN HA H 16 4.004 4.004 4.010 -0.006 17904 973 1 6 . 1 1 22 22 GLN H H 16 9.109 9.109 8.381 0.728 17904 974 1 6 . 1 1 23 23 CYS HA H 17 4.341 4.341 4.474 -0.133 17904 975 1 6 . 1 1 23 23 CYS H H 17 7.154 7.154 7.493 -0.339 17904 976 1 6 . 1 1 24 24 HIS HA H 18 3.530 3.530 4.407 -0.877 17904 977 1 6 . 1 1 24 24 HIS H H 18 6.626 6.626 8.258 -1.633 17904 978 1 6 . 1 1 25 25 THR HA H 19 4.514 4.514 4.011 0.503 17904 979 1 6 . 1 1 25 25 THR H H 19 7.223 7.223 8.199 -0.976 17904 980 1 6 . 1 1 26 26 VAL HA H 20 4.085 4.085 3.616 0.469 17904 981 1 6 . 1 1 26 26 VAL H H 20 8.015 8.015 7.680 0.335 17904 982 1 6 . 1 1 27 27 GLU HA H 21 4.158 4.158 4.296 -0.138 17904 983 1 6 . 1 1 27 27 GLU H H 21 8.343 8.343 8.400 -0.057 17904 984 1 6 . 1 1 28 28 LYS HA H 22 3.149 3.149 3.505 -0.356 17904 985 1 6 . 1 1 28 28 LYS H H 22 8.673 8.673 8.380 0.293 17904 986 1 6 . 1 1 29 29 GLY H H 23 9.308 9.308 8.750 0.558 17904 987 1 6 . 1 1 30 30 GLY H H 24 7.977 7.977 8.227 -0.250 17904 988 1 6 . 1 1 31 31 PRO HA H 25 4.131 4.131 4.180 -0.049 17904 989 1 6 . 1 1 32 32 HIS HA H 26 4.261 4.261 4.674 -0.413 17904 990 1 6 . 1 1 32 32 HIS H H 26 8.337 8.337 8.534 -0.197 17904 991 1 6 . 1 1 33 33 LYS HA H 27 4.197 4.197 4.532 -0.335 17904 992 1 6 . 1 1 33 33 LYS H H 27 7.722 7.722 7.843 -0.121 17904 993 1 6 . 1 1 34 34 VAL HA H 28 3.969 3.969 3.884 0.085 17904 994 1 6 . 1 1 34 34 VAL H H 28 7.175 7.175 8.409 -1.234 17904 995 1 6 . 1 1 35 35 GLY H H 29 7.759 7.759 7.534 0.225 17904 996 1 6 . 1 1 36 36 PRO HA H 30 3.538 3.538 3.961 -0.423 17904 997 1 6 . 1 1 37 37 ASN HA H 31 3.932 3.932 4.316 -0.384 17904 998 1 6 . 1 1 37 37 ASN H H 31 10.796 10.796 8.704 2.092 17904 999 1 6 . 1 1 38 38 LEU HA H 32 3.935 3.935 3.924 0.011 17904 1000 1 6 . 1 1 38 38 LEU H H 32 7.881 7.881 8.444 -0.563 17904 1001 1 6 . 1 1 39 39 HIS HA H 33 3.866 3.866 4.722 -0.856 17904 1002 1 6 . 1 1 39 39 HIS H H 33 7.395 7.395 8.273 -0.878 17904 1003 1 6 . 1 1 40 40 GLY H H 34 9.005 9.005 8.372 0.633 17904 1004 1 6 . 1 1 41 41 ILE HA H 35 3.968 3.968 3.750 0.218 17904 1005 1 6 . 1 1 41 41 ILE H H 35 7.217 7.217 7.983 -0.766 17904 1006 1 6 . 1 1 42 42 PHE HA H 36 4.306 4.306 4.842 -0.536 17904 1007 1 6 . 1 1 42 42 PHE H H 36 7.890 7.890 7.687 0.203 17904 1008 1 6 . 1 1 43 43 GLY H H 37 8.792 8.792 7.818 0.974 17904 1009 1 6 . 1 1 44 44 ARG HA H 38 4.851 4.851 4.078 0.773 17904 1010 1 6 . 1 1 44 44 ARG H H 38 7.974 7.974 8.510 -0.536 17904 1011 1 6 . 1 1 45 45 HIS HA H 39 5.616 5.616 4.709 0.907 17904 1012 1 6 . 1 1 45 45 HIS H H 39 7.894 7.894 7.505 0.389 17904 1013 1 6 . 1 1 46 46 SER HA H 40 5.060 5.060 4.436 0.624 17904 1014 1 6 . 1 1 46 46 SER H H 40 8.779 8.779 8.443 0.336 17904 1015 1 6 . 1 1 47 47 GLY H H 41 8.279 8.279 8.607 -0.328 17904 1016 1 6 . 1 1 48 48 GLN HA H 42 4.659 4.659 4.394 0.265 17904 1017 1 6 . 1 1 48 48 GLN H H 42 8.725 8.725 8.227 0.498 17904 1018 1 6 . 1 1 49 49 ALA HA H 43 4.141 4.141 4.361 -0.220 17904 1019 1 6 . 1 1 49 49 ALA H H 43 8.725 8.725 8.101 0.624 17904 1020 1 6 . 1 1 50 50 GLU HA H 44 4.281 4.281 4.145 0.136 17904 1021 1 6 . 1 1 50 50 GLU H H 44 8.863 8.863 9.113 -0.250 17904 1022 1 6 . 1 1 51 51 GLY H H 45 8.861 8.861 8.187 0.674 17904 1023 1 6 . 1 1 52 52 TYR HA H 46 4.031 4.031 4.062 -0.031 17904 1024 1 6 . 1 1 52 52 TYR H H 46 7.208 7.208 6.479 0.729 17904 1025 1 6 . 1 1 53 53 SER HA H 47 4.411 4.411 4.439 -0.028 17904 1026 1 6 . 1 1 53 53 SER H H 47 7.047 7.047 7.091 -0.044 17904 1027 1 6 . 1 1 54 54 TYR HA H 48 5.260 5.260 4.783 0.477 17904 1028 1 6 . 1 1 54 54 TYR H H 48 8.290 8.290 8.440 -0.150 17904 1029 1 6 . 1 1 55 55 THR HA H 49 4.521 4.521 4.313 0.208 17904 1030 1 6 . 1 1 55 55 THR H H 49 10.374 10.374 8.189 2.185 17904 1031 1 6 . 1 1 56 56 ASP HA H 50 4.131 4.131 4.335 -0.204 17904 1032 1 6 . 1 1 56 56 ASP H H 50 8.689 8.689 8.845 -0.156 17904 1033 1 6 . 1 1 57 57 ALA HA H 51 3.902 3.902 3.897 0.005 17904 1034 1 6 . 1 1 57 57 ALA H H 51 7.709 7.709 8.037 -0.328 17904 1035 1 6 . 1 1 58 58 ASN HA H 52 4.141 4.141 4.488 -0.347 17904 1036 1 6 . 1 1 58 58 ASN H H 52 8.285 8.285 7.717 0.568 17904 1037 1 6 . 1 1 59 59 ILE HA H 53 3.354 3.354 3.693 -0.339 17904 1038 1 6 . 1 1 59 59 ILE H H 53 7.708 7.708 7.543 0.165 17904 1039 1 6 . 1 1 60 60 LYS HA H 54 3.874 3.874 3.966 -0.092 17904 1040 1 6 . 1 1 60 60 LYS H H 54 9.160 9.160 8.661 0.499 17904 1041 1 6 . 1 1 61 61 LYS HA H 55 3.834 3.834 4.099 -0.265 17904 1042 1 6 . 1 1 61 61 LYS H H 55 7.484 7.484 7.646 -0.162 17904 1043 1 6 . 1 1 62 62 ASN HA H 56 4.297 4.297 4.168 0.129 17904 1044 1 6 . 1 1 62 62 ASN H H 56 7.052 7.052 7.828 -0.776 17904 1045 1 6 . 1 1 63 63 VAL HA H 57 3.708 3.708 4.299 -0.591 17904 1046 1 6 . 1 1 63 63 VAL H H 57 7.420 7.420 7.826 -0.406 17904 1047 1 6 . 1 1 64 64 LEU HA H 58 3.841 3.841 4.545 -0.704 17904 1048 1 6 . 1 1 64 64 LEU H H 58 8.346 8.346 7.909 0.437 17904 1049 1 6 . 1 1 65 65 TRP HA H 59 5.061 5.061 4.519 0.542 17904 1050 1 6 . 1 1 65 65 TRP H H 59 8.014 8.014 8.434 -0.420 17904 1051 1 6 . 1 1 66 66 ASP HA H 60 4.982 4.982 5.222 -0.240 17904 1052 1 6 . 1 1 66 66 ASP H H 60 9.639 9.639 8.374 1.265 17904 1053 1 6 . 1 1 67 67 GLU HA H 61 3.665 3.665 4.185 -0.520 17904 1054 1 6 . 1 1 67 67 GLU H H 61 10.320 10.320 8.936 1.384 17904 1055 1 6 . 1 1 68 68 ASN HA H 62 4.621 4.621 4.653 -0.032 17904 1056 1 6 . 1 1 68 68 ASN H H 62 8.337 8.337 8.658 -0.321 17904 1057 1 6 . 1 1 69 69 ASN HA H 63 4.569 4.569 4.526 0.043 17904 1058 1 6 . 1 1 69 69 ASN H H 63 9.641 9.641 8.406 1.235 17904 1059 1 6 . 1 1 70 70 MET H H 64 9.001 9.001 8.603 0.398 17904 1060 1 6 . 1 1 71 71 SER HA H 65 3.915 3.915 4.195 -0.280 17904 1061 1 6 . 1 1 71 71 SER H H 65 7.867 7.867 7.879 -0.012 17904 1062 1 6 . 1 1 72 72 GLU HA H 66 3.840 3.840 4.174 -0.334 17904 1063 1 6 . 1 1 72 72 GLU H H 66 7.837 7.837 7.582 0.255 17904 1064 1 6 . 1 1 73 73 TYR HA H 67 3.869 3.869 4.580 -0.711 17904 1065 1 6 . 1 1 73 73 TYR H H 67 8.463 8.463 7.888 0.575 17904 1066 1 6 . 1 1 74 74 LEU HA H 68 3.377 3.377 3.888 -0.511 17904 1067 1 6 . 1 1 74 74 LEU H H 68 8.164 8.164 8.024 0.140 17904 1068 1 6 . 1 1 75 75 THR HA H 69 3.811 3.811 4.159 -0.348 17904 1069 1 6 . 1 1 75 75 THR H H 69 7.428 7.428 8.443 -1.015 17904 1070 1 6 . 1 1 76 76 ASN HA H 70 4.317 4.317 4.925 -0.608 17904 1071 1 6 . 1 1 76 76 ASN H H 70 6.486 6.486 8.402 -1.916 17904 1072 1 6 . 1 1 77 77 HIS HA H 71 4.215 4.215 4.960 -0.745 17904 1073 1 6 . 1 1 77 77 HIS H H 71 9.673 9.673 8.377 1.296 17904 1074 1 6 . 1 1 78 78 ALA HA H 72 3.898 3.898 4.056 -0.158 17904 1075 1 6 . 1 1 78 78 ALA H H 72 7.763 7.763 8.385 -0.622 17904 1076 1 6 . 1 1 79 79 LYS HA H 73 4.214 4.214 4.047 0.167 17904 1077 1 6 . 1 1 79 79 LYS H H 73 7.163 7.163 8.600 -1.437 17904 1078 1 6 . 1 1 80 80 TYR HA H 74 4.093 4.093 4.292 -0.199 17904 1079 1 6 . 1 1 80 80 TYR H H 74 7.351 7.351 7.862 -0.511 17904 1080 1 6 . 1 1 81 81 ILE HA H 75 4.103 4.103 4.290 -0.187 17904 1081 1 6 . 1 1 81 81 ILE H H 75 8.335 8.335 6.986 1.349 17904 1082 1 6 . 1 1 83 83 GLY H H 77 8.794 8.794 8.634 0.160 17904 1083 1 6 . 1 1 84 84 THR HA H 78 4.691 4.691 4.198 0.493 17904 1084 1 6 . 1 1 84 84 THR H H 78 8.171 8.171 7.577 0.594 17904 1085 1 6 . 1 1 85 85 LYS HA H 79 4.293 4.293 4.540 -0.247 17904 1086 1 6 . 1 1 85 85 LYS H H 79 8.790 8.790 8.731 0.059 17904 1087 1 6 . 1 1 86 86 MET HA H 80 3.102 3.102 4.279 -1.177 17904 1088 1 6 . 1 1 86 86 MET H H 80 7.058 7.058 9.029 -1.971 17904 1089 1 6 . 1 1 87 87 ALA HA H 81 4.212 4.212 4.070 0.142 17904 1090 1 6 . 1 1 87 87 ALA H H 81 8.152 8.152 8.257 -0.105 17904 1091 1 6 . 1 1 88 88 PHE HA H 82 4.369 4.369 4.147 0.222 17904 1092 1 6 . 1 1 88 88 PHE H H 82 6.361 6.361 8.319 -1.958 17904 1093 1 6 . 1 1 90 90 GLY H H 84 8.982 8.982 8.136 0.846 17904 1094 1 6 . 1 1 91 91 LEU H H 85 8.462 8.462 7.978 0.484 17904 1095 1 6 . 1 1 92 92 LYS HA H 86 3.968 3.968 4.139 -0.171 17904 1096 1 6 . 1 1 92 92 LYS H H 86 8.707 8.707 8.536 0.171 17904 1097 1 6 . 1 1 93 93 LYS HA H 87 4.791 4.791 4.104 0.687 17904 1098 1 6 . 1 1 93 93 LYS H H 87 8.984 8.984 8.168 0.816 17904 1099 1 6 . 1 1 94 94 GLU HA H 88 3.847 3.847 4.523 -0.676 17904 1100 1 6 . 1 1 94 94 GLU H H 88 9.115 9.115 7.797 1.318 17904 1101 1 6 . 1 1 95 95 LYS HA H 89 3.968 3.968 4.041 -0.073 17904 1102 1 6 . 1 1 95 95 LYS H H 89 8.809 8.809 8.563 0.246 17904 1103 1 6 . 1 1 96 96 ASP HA H 90 4.019 4.019 4.348 -0.329 17904 1104 1 6 . 1 1 96 96 ASP H H 90 6.540 6.540 8.544 -2.004 17904 1105 1 6 . 1 1 97 97 ARG HA H 91 3.937 3.937 3.974 -0.037 17904 1106 1 6 . 1 1 97 97 ARG H H 91 7.653 7.653 7.907 -0.254 17904 1107 1 6 . 1 1 98 98 ASN HA H 92 3.970 3.970 4.266 -0.296 17904 1108 1 6 . 1 1 98 98 ASN H H 92 8.843 8.843 7.849 0.994 17904 1109 1 6 . 1 1 99 99 ASP HA H 93 4.262 4.262 4.550 -0.288 17904 1110 1 6 . 1 1 99 99 ASP H H 93 8.850 8.850 7.941 0.909 17904 1111 1 6 . 1 1 100 100 LEU HA H 94 4.250 4.250 3.947 0.303 17904 1112 1 6 . 1 1 100 100 LEU H H 94 8.711 8.711 7.557 1.154 17904 1113 1 6 . 1 1 101 101 ILE HA H 95 3.653 3.653 3.461 0.192 17904 1114 1 6 . 1 1 101 101 ILE H H 95 9.304 9.304 7.896 1.408 17904 1115 1 6 . 1 1 102 102 THR HA H 96 3.890 3.890 4.149 -0.259 17904 1116 1 6 . 1 1 102 102 THR H H 96 8.346 8.346 7.765 0.581 17904 1117 1 6 . 1 1 103 103 TYR HA H 97 4.129 4.129 4.074 0.055 17904 1118 1 6 . 1 1 103 103 TYR H H 97 8.017 8.017 7.724 0.293 17904 1119 1 6 . 1 1 104 104 LEU HA H 98 3.360 3.360 3.709 -0.349 17904 1120 1 6 . 1 1 104 104 LEU H H 98 9.407 9.407 7.879 1.528 17904 1121 1 6 . 1 1 105 105 LYS HA H 99 3.492 3.492 3.415 0.077 17904 1122 1 6 . 1 1 105 105 LYS H H 99 8.846 8.846 7.442 1.404 17904 1123 1 6 . 1 1 106 106 LYS HA H 100 4.123 4.123 3.938 0.185 17904 1124 1 6 . 1 1 106 106 LYS H H 100 6.661 6.661 7.160 -0.499 17904 1125 1 6 . 1 1 107 107 ALA HA H 101 3.931 3.931 4.210 -0.279 17904 1126 1 6 . 1 1 107 107 ALA H H 101 8.465 8.465 7.430 1.035 17904 1127 1 6 . 1 1 108 108 THR HA H 102 3.967 3.967 4.513 -0.546 17904 1128 1 6 . 1 1 108 108 THR H H 102 7.385 7.385 7.507 -0.122 17904 1129 1 7 . 1 1 3 3 PHE HA H -3 4.481 4.481 4.803 -0.322 17904 1130 1 7 . 1 1 3 3 PHE H H -3 8.881 8.881 8.602 0.279 17904 1131 1 7 . 1 1 4 4 LYS HA H -2 3.873 3.873 4.112 -0.239 17904 1132 1 7 . 1 1 4 4 LYS H H -2 6.768 6.768 8.503 -1.735 17904 1133 1 7 . 1 1 8 8 SER HA H 2 4.840 4.840 4.828 0.012 17904 1134 1 7 . 1 1 8 8 SER H H 2 9.588 9.588 8.475 1.113 17904 1135 1 7 . 1 1 9 9 ALA HA H 3 4.033 4.033 4.382 -0.349 17904 1136 1 7 . 1 1 9 9 ALA H H 3 7.706 7.706 9.030 -1.324 17904 1137 1 7 . 1 1 10 10 LYS HA H 4 4.329 4.329 4.012 0.317 17904 1138 1 7 . 1 1 10 10 LYS H H 4 8.465 8.465 8.130 0.335 17904 1139 1 7 . 1 1 11 11 LYS HA H 5 4.155 4.155 4.026 0.129 17904 1140 1 7 . 1 1 11 11 LYS H H 5 7.893 7.893 7.564 0.329 17904 1141 1 7 . 1 1 12 12 GLY H H 6 8.906 8.906 7.854 1.052 17904 1142 1 7 . 1 1 13 13 ALA HA H 7 2.418 2.418 2.936 -0.518 17904 1143 1 7 . 1 1 13 13 ALA H H 7 8.157 8.157 8.741 -0.584 17904 1144 1 7 . 1 1 14 14 THR HA H 8 3.940 3.940 4.079 -0.139 17904 1145 1 7 . 1 1 14 14 THR H H 8 7.325 7.325 7.613 -0.288 17904 1146 1 7 . 1 1 15 15 LEU HA H 9 4.109 4.109 4.119 -0.010 17904 1147 1 7 . 1 1 15 15 LEU H H 9 8.044 8.044 7.338 0.706 17904 1148 1 7 . 1 1 16 16 PHE HA H 10 4.048 4.048 4.152 -0.104 17904 1149 1 7 . 1 1 16 16 PHE H H 10 8.956 8.956 8.810 0.146 17904 1150 1 7 . 1 1 17 17 LYS HA H 11 4.018 4.018 4.116 -0.098 17904 1151 1 7 . 1 1 17 17 LYS H H 11 8.433 8.433 8.428 0.005 17904 1152 1 7 . 1 1 18 18 THR HA H 12 4.305 4.305 4.289 0.016 17904 1153 1 7 . 1 1 18 18 THR H H 12 8.023 8.023 7.984 0.039 17904 1154 1 7 . 1 1 19 19 ARG HA H 13 5.317 5.317 4.607 0.710 17904 1155 1 7 . 1 1 19 19 ARG H H 13 8.745 8.745 7.571 1.174 17904 1156 1 7 . 1 1 20 20 CYS HA H 14 5.441 5.441 4.376 1.065 17904 1157 1 7 . 1 1 20 20 CYS H H 14 8.022 8.022 8.603 -0.581 17904 1158 1 7 . 1 1 21 21 LEU HA H 15 4.144 4.144 4.312 -0.168 17904 1159 1 7 . 1 1 21 21 LEU H H 15 7.325 7.325 7.639 -0.314 17904 1160 1 7 . 1 1 22 22 GLN HA H 16 4.004 4.004 4.152 -0.148 17904 1161 1 7 . 1 1 22 22 GLN H H 16 9.109 9.109 8.249 0.860 17904 1162 1 7 . 1 1 23 23 CYS HA H 17 4.341 4.341 4.509 -0.168 17904 1163 1 7 . 1 1 23 23 CYS H H 17 7.154 7.154 7.573 -0.419 17904 1164 1 7 . 1 1 24 24 HIS HA H 18 3.530 3.530 4.895 -1.365 17904 1165 1 7 . 1 1 24 24 HIS H H 18 6.626 6.626 8.193 -1.567 17904 1166 1 7 . 1 1 25 25 THR HA H 19 4.514 4.514 4.506 0.008 17904 1167 1 7 . 1 1 25 25 THR H H 19 7.223 7.223 8.664 -1.441 17904 1168 1 7 . 1 1 26 26 VAL HA H 20 4.085 4.085 4.444 -0.359 17904 1169 1 7 . 1 1 26 26 VAL H H 20 8.015 8.015 8.663 -0.648 17904 1170 1 7 . 1 1 27 27 GLU HA H 21 4.158 4.158 4.262 -0.104 17904 1171 1 7 . 1 1 27 27 GLU H H 21 8.343 8.343 8.386 -0.043 17904 1172 1 7 . 1 1 28 28 LYS HA H 22 3.149 3.149 3.490 -0.341 17904 1173 1 7 . 1 1 28 28 LYS H H 22 8.673 8.673 7.945 0.728 17904 1174 1 7 . 1 1 29 29 GLY H H 23 9.308 9.308 8.185 1.123 17904 1175 1 7 . 1 1 30 30 GLY H H 24 7.977 7.977 7.825 0.152 17904 1176 1 7 . 1 1 31 31 PRO HA H 25 4.131 4.131 4.128 0.003 17904 1177 1 7 . 1 1 32 32 HIS HA H 26 4.261 4.261 4.654 -0.393 17904 1178 1 7 . 1 1 32 32 HIS H H 26 8.337 8.337 8.406 -0.069 17904 1179 1 7 . 1 1 33 33 LYS HA H 27 4.197 4.197 4.061 0.136 17904 1180 1 7 . 1 1 33 33 LYS H H 27 7.722 7.722 8.603 -0.881 17904 1181 1 7 . 1 1 34 34 VAL HA H 28 3.969 3.969 4.132 -0.163 17904 1182 1 7 . 1 1 34 34 VAL H H 28 7.175 7.175 7.287 -0.112 17904 1183 1 7 . 1 1 35 35 GLY H H 29 7.759 7.759 7.727 0.032 17904 1184 1 7 . 1 1 36 36 PRO HA H 30 3.538 3.538 4.010 -0.472 17904 1185 1 7 . 1 1 37 37 ASN HA H 31 3.932 3.932 4.823 -0.891 17904 1186 1 7 . 1 1 37 37 ASN H H 31 10.796 10.796 8.449 2.347 17904 1187 1 7 . 1 1 38 38 LEU HA H 32 3.935 3.935 3.989 -0.054 17904 1188 1 7 . 1 1 38 38 LEU H H 32 7.881 7.881 9.084 -1.203 17904 1189 1 7 . 1 1 39 39 HIS HA H 33 3.866 3.866 4.506 -0.640 17904 1190 1 7 . 1 1 39 39 HIS H H 33 7.395 7.395 8.286 -0.891 17904 1191 1 7 . 1 1 40 40 GLY H H 34 9.005 9.005 8.100 0.905 17904 1192 1 7 . 1 1 41 41 ILE HA H 35 3.968 3.968 3.571 0.397 17904 1193 1 7 . 1 1 41 41 ILE H H 35 7.217 7.217 7.049 0.168 17904 1194 1 7 . 1 1 42 42 PHE HA H 36 4.306 4.306 4.616 -0.310 17904 1195 1 7 . 1 1 42 42 PHE H H 36 7.890 7.890 7.370 0.520 17904 1196 1 7 . 1 1 43 43 GLY H H 37 8.792 8.792 8.238 0.554 17904 1197 1 7 . 1 1 44 44 ARG HA H 38 4.851 4.851 4.370 0.481 17904 1198 1 7 . 1 1 44 44 ARG H H 38 7.974 7.974 8.506 -0.532 17904 1199 1 7 . 1 1 45 45 HIS HA H 39 5.616 5.616 4.705 0.911 17904 1200 1 7 . 1 1 45 45 HIS H H 39 7.894 7.894 7.621 0.273 17904 1201 1 7 . 1 1 46 46 SER HA H 40 5.060 5.060 4.304 0.756 17904 1202 1 7 . 1 1 46 46 SER H H 40 8.779 8.779 8.556 0.223 17904 1203 1 7 . 1 1 47 47 GLY H H 41 8.279 8.279 8.693 -0.414 17904 1204 1 7 . 1 1 48 48 GLN HA H 42 4.659 4.659 4.048 0.611 17904 1205 1 7 . 1 1 48 48 GLN H H 42 8.725 8.725 8.706 0.019 17904 1206 1 7 . 1 1 49 49 ALA HA H 43 4.141 4.141 4.461 -0.320 17904 1207 1 7 . 1 1 49 49 ALA H H 43 8.725 8.725 8.346 0.379 17904 1208 1 7 . 1 1 50 50 GLU HA H 44 4.281 4.281 4.120 0.161 17904 1209 1 7 . 1 1 50 50 GLU H H 44 8.863 8.863 8.715 0.148 17904 1210 1 7 . 1 1 51 51 GLY H H 45 8.861 8.861 8.223 0.638 17904 1211 1 7 . 1 1 52 52 TYR HA H 46 4.031 4.031 4.021 0.010 17904 1212 1 7 . 1 1 52 52 TYR H H 46 7.208 7.208 6.805 0.403 17904 1213 1 7 . 1 1 53 53 SER HA H 47 4.411 4.411 4.355 0.056 17904 1214 1 7 . 1 1 53 53 SER H H 47 7.047 7.047 7.087 -0.040 17904 1215 1 7 . 1 1 54 54 TYR HA H 48 5.260 5.260 4.783 0.477 17904 1216 1 7 . 1 1 54 54 TYR H H 48 8.290 8.290 8.397 -0.107 17904 1217 1 7 . 1 1 55 55 THR HA H 49 4.521 4.521 4.322 0.199 17904 1218 1 7 . 1 1 55 55 THR H H 49 10.374 10.374 8.216 2.158 17904 1219 1 7 . 1 1 56 56 ASP HA H 50 4.131 4.131 4.366 -0.235 17904 1220 1 7 . 1 1 56 56 ASP H H 50 8.689 8.689 8.838 -0.149 17904 1221 1 7 . 1 1 57 57 ALA HA H 51 3.902 3.902 3.933 -0.031 17904 1222 1 7 . 1 1 57 57 ALA H H 51 7.709 7.709 8.186 -0.477 17904 1223 1 7 . 1 1 58 58 ASN HA H 52 4.141 4.141 4.417 -0.276 17904 1224 1 7 . 1 1 58 58 ASN H H 52 8.285 8.285 7.679 0.606 17904 1225 1 7 . 1 1 59 59 ILE HA H 53 3.354 3.354 3.686 -0.332 17904 1226 1 7 . 1 1 59 59 ILE H H 53 7.708 7.708 7.686 0.022 17904 1227 1 7 . 1 1 60 60 LYS HA H 54 3.874 3.874 3.976 -0.102 17904 1228 1 7 . 1 1 60 60 LYS H H 54 9.160 9.160 8.564 0.596 17904 1229 1 7 . 1 1 61 61 LYS HA H 55 3.834 3.834 4.087 -0.253 17904 1230 1 7 . 1 1 61 61 LYS H H 55 7.484 7.484 7.678 -0.194 17904 1231 1 7 . 1 1 62 62 ASN HA H 56 4.297 4.297 4.181 0.116 17904 1232 1 7 . 1 1 62 62 ASN H H 56 7.052 7.052 7.927 -0.875 17904 1233 1 7 . 1 1 63 63 VAL HA H 57 3.708 3.708 4.217 -0.509 17904 1234 1 7 . 1 1 63 63 VAL H H 57 7.420 7.420 8.307 -0.887 17904 1235 1 7 . 1 1 64 64 LEU HA H 58 3.841 3.841 4.482 -0.641 17904 1236 1 7 . 1 1 64 64 LEU H H 58 8.346 8.346 8.030 0.316 17904 1237 1 7 . 1 1 65 65 TRP HA H 59 5.061 5.061 4.563 0.498 17904 1238 1 7 . 1 1 65 65 TRP H H 59 8.014 8.014 8.365 -0.351 17904 1239 1 7 . 1 1 66 66 ASP HA H 60 4.982 4.982 5.010 -0.028 17904 1240 1 7 . 1 1 66 66 ASP H H 60 9.639 9.639 8.324 1.315 17904 1241 1 7 . 1 1 67 67 GLU HA H 61 3.665 3.665 3.965 -0.300 17904 1242 1 7 . 1 1 67 67 GLU H H 61 10.320 10.320 8.862 1.458 17904 1243 1 7 . 1 1 68 68 ASN HA H 62 4.621 4.621 4.616 0.005 17904 1244 1 7 . 1 1 68 68 ASN H H 62 8.337 8.337 8.458 -0.121 17904 1245 1 7 . 1 1 69 69 ASN HA H 63 4.569 4.569 4.510 0.059 17904 1246 1 7 . 1 1 69 69 ASN H H 63 9.641 9.641 9.538 0.103 17904 1247 1 7 . 1 1 70 70 MET H H 64 9.001 9.001 8.548 0.453 17904 1248 1 7 . 1 1 71 71 SER HA H 65 3.915 3.915 4.110 -0.195 17904 1249 1 7 . 1 1 71 71 SER H H 65 7.867 7.867 7.868 -0.001 17904 1250 1 7 . 1 1 72 72 GLU HA H 66 3.840 3.840 4.334 -0.494 17904 1251 1 7 . 1 1 72 72 GLU H H 66 7.837 7.837 7.583 0.254 17904 1252 1 7 . 1 1 73 73 TYR HA H 67 3.869 3.869 4.634 -0.765 17904 1253 1 7 . 1 1 73 73 TYR H H 67 8.463 8.463 8.532 -0.069 17904 1254 1 7 . 1 1 74 74 LEU HA H 68 3.377 3.377 3.581 -0.204 17904 1255 1 7 . 1 1 74 74 LEU H H 68 8.164 8.164 7.787 0.377 17904 1256 1 7 . 1 1 75 75 THR HA H 69 3.811 3.811 4.111 -0.300 17904 1257 1 7 . 1 1 75 75 THR H H 69 7.428 7.428 7.808 -0.380 17904 1258 1 7 . 1 1 76 76 ASN HA H 70 4.317 4.317 5.055 -0.738 17904 1259 1 7 . 1 1 76 76 ASN H H 70 6.486 6.486 8.461 -1.975 17904 1260 1 7 . 1 1 77 77 HIS HA H 71 4.215 4.215 5.131 -0.916 17904 1261 1 7 . 1 1 77 77 HIS H H 71 9.673 9.673 8.318 1.355 17904 1262 1 7 . 1 1 78 78 ALA HA H 72 3.898 3.898 4.231 -0.333 17904 1263 1 7 . 1 1 78 78 ALA H H 72 7.763 7.763 8.333 -0.570 17904 1264 1 7 . 1 1 79 79 LYS HA H 73 4.214 4.214 4.074 0.140 17904 1265 1 7 . 1 1 79 79 LYS H H 73 7.163 7.163 8.503 -1.340 17904 1266 1 7 . 1 1 80 80 TYR HA H 74 4.093 4.093 4.288 -0.195 17904 1267 1 7 . 1 1 80 80 TYR H H 74 7.351 7.351 7.879 -0.528 17904 1268 1 7 . 1 1 81 81 ILE HA H 75 4.103 4.103 4.302 -0.199 17904 1269 1 7 . 1 1 81 81 ILE H H 75 8.335 8.335 7.253 1.082 17904 1270 1 7 . 1 1 83 83 GLY H H 77 8.794 8.794 8.700 0.094 17904 1271 1 7 . 1 1 84 84 THR HA H 78 4.691 4.691 4.188 0.503 17904 1272 1 7 . 1 1 84 84 THR H H 78 8.171 8.171 7.579 0.592 17904 1273 1 7 . 1 1 85 85 LYS HA H 79 4.293 4.293 4.632 -0.339 17904 1274 1 7 . 1 1 85 85 LYS H H 79 8.790 8.790 8.416 0.374 17904 1275 1 7 . 1 1 86 86 MET HA H 80 3.102 3.102 4.778 -1.676 17904 1276 1 7 . 1 1 86 86 MET H H 80 7.058 7.058 8.851 -1.793 17904 1277 1 7 . 1 1 87 87 ALA HA H 81 4.212 4.212 4.246 -0.034 17904 1278 1 7 . 1 1 87 87 ALA H H 81 8.152 8.152 8.718 -0.566 17904 1279 1 7 . 1 1 88 88 PHE HA H 82 4.369 4.369 4.105 0.264 17904 1280 1 7 . 1 1 88 88 PHE H H 82 6.361 6.361 8.044 -1.683 17904 1281 1 7 . 1 1 90 90 GLY H H 84 8.982 8.982 8.259 0.723 17904 1282 1 7 . 1 1 91 91 LEU H H 85 8.462 8.462 8.216 0.246 17904 1283 1 7 . 1 1 92 92 LYS HA H 86 3.968 3.968 4.101 -0.133 17904 1284 1 7 . 1 1 92 92 LYS H H 86 8.707 8.707 8.573 0.134 17904 1285 1 7 . 1 1 93 93 LYS HA H 87 4.791 4.791 4.534 0.257 17904 1286 1 7 . 1 1 93 93 LYS H H 87 8.984 8.984 7.815 1.169 17904 1287 1 7 . 1 1 94 94 GLU HA H 88 3.847 3.847 3.942 -0.095 17904 1288 1 7 . 1 1 94 94 GLU H H 88 9.115 9.115 8.847 0.268 17904 1289 1 7 . 1 1 95 95 LYS HA H 89 3.968 3.968 4.043 -0.075 17904 1290 1 7 . 1 1 95 95 LYS H H 89 8.809 8.809 8.466 0.343 17904 1291 1 7 . 1 1 96 96 ASP HA H 90 4.019 4.019 4.433 -0.414 17904 1292 1 7 . 1 1 96 96 ASP H H 90 6.540 6.540 7.795 -1.255 17904 1293 1 7 . 1 1 97 97 ARG HA H 91 3.937 3.937 3.979 -0.042 17904 1294 1 7 . 1 1 97 97 ARG H H 91 7.653 7.653 7.632 0.021 17904 1295 1 7 . 1 1 98 98 ASN HA H 92 3.970 3.970 4.556 -0.586 17904 1296 1 7 . 1 1 98 98 ASN H H 92 8.843 8.843 7.996 0.847 17904 1297 1 7 . 1 1 99 99 ASP HA H 93 4.262 4.262 4.550 -0.288 17904 1298 1 7 . 1 1 99 99 ASP H H 93 8.850 8.850 7.576 1.274 17904 1299 1 7 . 1 1 100 100 LEU HA H 94 4.250 4.250 4.004 0.246 17904 1300 1 7 . 1 1 100 100 LEU H H 94 8.711 8.711 7.448 1.263 17904 1301 1 7 . 1 1 101 101 ILE HA H 95 3.653 3.653 3.431 0.222 17904 1302 1 7 . 1 1 101 101 ILE H H 95 9.304 9.304 7.481 1.823 17904 1303 1 7 . 1 1 102 102 THR HA H 96 3.890 3.890 4.180 -0.290 17904 1304 1 7 . 1 1 102 102 THR H H 96 8.346 8.346 7.715 0.631 17904 1305 1 7 . 1 1 103 103 TYR HA H 97 4.129 4.129 4.096 0.033 17904 1306 1 7 . 1 1 103 103 TYR H H 97 8.017 8.017 7.609 0.408 17904 1307 1 7 . 1 1 104 104 LEU HA H 98 3.360 3.360 3.643 -0.283 17904 1308 1 7 . 1 1 104 104 LEU H H 98 9.407 9.407 8.039 1.368 17904 1309 1 7 . 1 1 105 105 LYS HA H 99 3.492 3.492 3.467 0.025 17904 1310 1 7 . 1 1 105 105 LYS H H 99 8.846 8.846 7.491 1.355 17904 1311 1 7 . 1 1 106 106 LYS HA H 100 4.123 4.123 3.874 0.249 17904 1312 1 7 . 1 1 106 106 LYS H H 100 6.661 6.661 7.192 -0.531 17904 1313 1 7 . 1 1 107 107 ALA HA H 101 3.931 3.931 3.984 -0.053 17904 1314 1 7 . 1 1 107 107 ALA H H 101 8.465 8.465 7.057 1.408 17904 1315 1 7 . 1 1 108 108 THR HA H 102 3.967 3.967 4.144 -0.177 17904 1316 1 7 . 1 1 108 108 THR H H 102 7.385 7.385 7.147 0.238 17904 1317 1 8 . 1 1 3 3 PHE HA H -3 4.481 4.481 4.750 -0.269 17904 1318 1 8 . 1 1 3 3 PHE H H -3 8.881 8.881 8.554 0.327 17904 1319 1 8 . 1 1 4 4 LYS HA H -2 3.873 3.873 4.188 -0.315 17904 1320 1 8 . 1 1 4 4 LYS H H -2 6.768 6.768 8.586 -1.818 17904 1321 1 8 . 1 1 8 8 SER HA H 2 4.840 4.840 4.804 0.036 17904 1322 1 8 . 1 1 8 8 SER H H 2 9.588 9.588 8.482 1.106 17904 1323 1 8 . 1 1 9 9 ALA HA H 3 4.033 4.033 4.358 -0.325 17904 1324 1 8 . 1 1 9 9 ALA H H 3 7.706 7.706 8.995 -1.289 17904 1325 1 8 . 1 1 10 10 LYS HA H 4 4.329 4.329 4.089 0.240 17904 1326 1 8 . 1 1 10 10 LYS H H 4 8.465 8.465 8.626 -0.161 17904 1327 1 8 . 1 1 11 11 LYS HA H 5 4.155 4.155 4.070 0.085 17904 1328 1 8 . 1 1 11 11 LYS H H 5 7.893 7.893 8.285 -0.392 17904 1329 1 8 . 1 1 12 12 GLY H H 6 8.906 8.906 7.905 1.001 17904 1330 1 8 . 1 1 13 13 ALA HA H 7 2.418 2.418 3.127 -0.709 17904 1331 1 8 . 1 1 13 13 ALA H H 7 8.157 8.157 8.583 -0.426 17904 1332 1 8 . 1 1 14 14 THR HA H 8 3.940 3.940 3.976 -0.036 17904 1333 1 8 . 1 1 14 14 THR H H 8 7.325 7.325 7.698 -0.373 17904 1334 1 8 . 1 1 15 15 LEU HA H 9 4.109 4.109 4.031 0.078 17904 1335 1 8 . 1 1 15 15 LEU H H 9 8.044 8.044 7.479 0.565 17904 1336 1 8 . 1 1 16 16 PHE HA H 10 4.048 4.048 3.837 0.211 17904 1337 1 8 . 1 1 16 16 PHE H H 10 8.956 8.956 8.762 0.194 17904 1338 1 8 . 1 1 17 17 LYS HA H 11 4.018 4.018 4.031 -0.013 17904 1339 1 8 . 1 1 17 17 LYS H H 11 8.433 8.433 8.294 0.139 17904 1340 1 8 . 1 1 18 18 THR HA H 12 4.305 4.305 4.370 -0.065 17904 1341 1 8 . 1 1 18 18 THR H H 12 8.023 8.023 7.855 0.168 17904 1342 1 8 . 1 1 19 19 ARG HA H 13 5.317 5.317 4.534 0.783 17904 1343 1 8 . 1 1 19 19 ARG H H 13 8.745 8.745 7.844 0.901 17904 1344 1 8 . 1 1 20 20 CYS HA H 14 5.441 5.441 4.363 1.078 17904 1345 1 8 . 1 1 20 20 CYS H H 14 8.022 8.022 8.058 -0.036 17904 1346 1 8 . 1 1 21 21 LEU HA H 15 4.144 4.144 4.489 -0.345 17904 1347 1 8 . 1 1 21 21 LEU H H 15 7.325 7.325 7.579 -0.254 17904 1348 1 8 . 1 1 22 22 GLN HA H 16 4.004 4.004 3.992 0.012 17904 1349 1 8 . 1 1 22 22 GLN H H 16 9.109 9.109 8.175 0.934 17904 1350 1 8 . 1 1 23 23 CYS HA H 17 4.341 4.341 4.388 -0.047 17904 1351 1 8 . 1 1 23 23 CYS H H 17 7.154 7.154 7.785 -0.631 17904 1352 1 8 . 1 1 24 24 HIS HA H 18 3.530 3.530 4.516 -0.986 17904 1353 1 8 . 1 1 24 24 HIS H H 18 6.626 6.626 8.509 -1.883 17904 1354 1 8 . 1 1 25 25 THR HA H 19 4.514 4.514 4.098 0.416 17904 1355 1 8 . 1 1 25 25 THR H H 19 7.223 7.223 8.153 -0.930 17904 1356 1 8 . 1 1 26 26 VAL HA H 20 4.085 4.085 3.949 0.136 17904 1357 1 8 . 1 1 26 26 VAL H H 20 8.015 8.015 8.748 -0.733 17904 1358 1 8 . 1 1 27 27 GLU HA H 21 4.158 4.158 3.965 0.193 17904 1359 1 8 . 1 1 27 27 GLU H H 21 8.343 8.343 8.584 -0.241 17904 1360 1 8 . 1 1 28 28 LYS HA H 22 3.149 3.149 3.670 -0.521 17904 1361 1 8 . 1 1 28 28 LYS H H 22 8.673 8.673 7.893 0.780 17904 1362 1 8 . 1 1 29 29 GLY H H 23 9.308 9.308 8.164 1.144 17904 1363 1 8 . 1 1 30 30 GLY H H 24 7.977 7.977 7.898 0.079 17904 1364 1 8 . 1 1 31 31 PRO HA H 25 4.131 4.131 4.255 -0.124 17904 1365 1 8 . 1 1 32 32 HIS HA H 26 4.261 4.261 4.697 -0.436 17904 1366 1 8 . 1 1 32 32 HIS H H 26 8.337 8.337 8.549 -0.212 17904 1367 1 8 . 1 1 33 33 LYS HA H 27 4.197 4.197 4.564 -0.367 17904 1368 1 8 . 1 1 33 33 LYS H H 27 7.722 7.722 7.922 -0.200 17904 1369 1 8 . 1 1 34 34 VAL HA H 28 3.969 3.969 3.935 0.034 17904 1370 1 8 . 1 1 34 34 VAL H H 28 7.175 7.175 8.463 -1.288 17904 1371 1 8 . 1 1 35 35 GLY H H 29 7.759 7.759 7.515 0.244 17904 1372 1 8 . 1 1 36 36 PRO HA H 30 3.538 3.538 4.197 -0.659 17904 1373 1 8 . 1 1 37 37 ASN HA H 31 3.932 3.932 4.687 -0.755 17904 1374 1 8 . 1 1 37 37 ASN H H 31 10.796 10.796 9.057 1.739 17904 1375 1 8 . 1 1 38 38 LEU HA H 32 3.935 3.935 3.989 -0.054 17904 1376 1 8 . 1 1 38 38 LEU H H 32 7.881 7.881 8.389 -0.508 17904 1377 1 8 . 1 1 39 39 HIS HA H 33 3.866 3.866 4.757 -0.891 17904 1378 1 8 . 1 1 39 39 HIS H H 33 7.395 7.395 8.570 -1.175 17904 1379 1 8 . 1 1 40 40 GLY H H 34 9.005 9.005 8.603 0.402 17904 1380 1 8 . 1 1 41 41 ILE HA H 35 3.968 3.968 3.787 0.181 17904 1381 1 8 . 1 1 41 41 ILE H H 35 7.217 7.217 7.875 -0.658 17904 1382 1 8 . 1 1 42 42 PHE HA H 36 4.306 4.306 4.749 -0.443 17904 1383 1 8 . 1 1 42 42 PHE H H 36 7.890 7.890 7.773 0.117 17904 1384 1 8 . 1 1 43 43 GLY H H 37 8.792 8.792 7.832 0.960 17904 1385 1 8 . 1 1 44 44 ARG HA H 38 4.851 4.851 4.065 0.786 17904 1386 1 8 . 1 1 44 44 ARG H H 38 7.974 7.974 8.442 -0.468 17904 1387 1 8 . 1 1 45 45 HIS HA H 39 5.616 5.616 4.590 1.026 17904 1388 1 8 . 1 1 45 45 HIS H H 39 7.894 7.894 7.571 0.323 17904 1389 1 8 . 1 1 46 46 SER HA H 40 5.060 5.060 4.558 0.502 17904 1390 1 8 . 1 1 46 46 SER H H 40 8.779 8.779 8.757 0.022 17904 1391 1 8 . 1 1 47 47 GLY H H 41 8.279 8.279 8.456 -0.177 17904 1392 1 8 . 1 1 48 48 GLN HA H 42 4.659 4.659 4.457 0.202 17904 1393 1 8 . 1 1 48 48 GLN H H 42 8.725 8.725 7.568 1.157 17904 1394 1 8 . 1 1 49 49 ALA HA H 43 4.141 4.141 4.942 -0.801 17904 1395 1 8 . 1 1 49 49 ALA H H 43 8.725 8.725 8.538 0.187 17904 1396 1 8 . 1 1 50 50 GLU HA H 44 4.281 4.281 4.175 0.106 17904 1397 1 8 . 1 1 50 50 GLU H H 44 8.863 8.863 8.998 -0.135 17904 1398 1 8 . 1 1 51 51 GLY H H 45 8.861 8.861 7.867 0.994 17904 1399 1 8 . 1 1 52 52 TYR HA H 46 4.031 4.031 4.105 -0.074 17904 1400 1 8 . 1 1 52 52 TYR H H 46 7.208 7.208 6.787 0.421 17904 1401 1 8 . 1 1 53 53 SER HA H 47 4.411 4.411 4.455 -0.044 17904 1402 1 8 . 1 1 53 53 SER H H 47 7.047 7.047 7.354 -0.307 17904 1403 1 8 . 1 1 54 54 TYR HA H 48 5.260 5.260 4.795 0.465 17904 1404 1 8 . 1 1 54 54 TYR H H 48 8.290 8.290 8.447 -0.157 17904 1405 1 8 . 1 1 55 55 THR HA H 49 4.521 4.521 4.402 0.119 17904 1406 1 8 . 1 1 55 55 THR H H 49 10.374 10.374 8.502 1.872 17904 1407 1 8 . 1 1 56 56 ASP HA H 50 4.131 4.131 4.361 -0.230 17904 1408 1 8 . 1 1 56 56 ASP H H 50 8.689 8.689 8.848 -0.159 17904 1409 1 8 . 1 1 57 57 ALA HA H 51 3.902 3.902 3.964 -0.062 17904 1410 1 8 . 1 1 57 57 ALA H H 51 7.709 7.709 7.997 -0.288 17904 1411 1 8 . 1 1 58 58 ASN HA H 52 4.141 4.141 4.512 -0.371 17904 1412 1 8 . 1 1 58 58 ASN H H 52 8.285 8.285 7.649 0.636 17904 1413 1 8 . 1 1 59 59 ILE HA H 53 3.354 3.354 3.745 -0.391 17904 1414 1 8 . 1 1 59 59 ILE H H 53 7.708 7.708 7.652 0.056 17904 1415 1 8 . 1 1 60 60 LYS HA H 54 3.874 3.874 4.032 -0.158 17904 1416 1 8 . 1 1 60 60 LYS H H 54 9.160 9.160 8.309 0.851 17904 1417 1 8 . 1 1 61 61 LYS HA H 55 3.834 3.834 4.147 -0.313 17904 1418 1 8 . 1 1 61 61 LYS H H 55 7.484 7.484 8.010 -0.526 17904 1419 1 8 . 1 1 62 62 ASN HA H 56 4.297 4.297 4.195 0.102 17904 1420 1 8 . 1 1 62 62 ASN H H 56 7.052 7.052 7.759 -0.707 17904 1421 1 8 . 1 1 63 63 VAL HA H 57 3.708 3.708 3.960 -0.252 17904 1422 1 8 . 1 1 63 63 VAL H H 57 7.420 7.420 7.407 0.013 17904 1423 1 8 . 1 1 64 64 LEU HA H 58 3.841 3.841 4.550 -0.709 17904 1424 1 8 . 1 1 64 64 LEU H H 58 8.346 8.346 8.102 0.244 17904 1425 1 8 . 1 1 65 65 TRP HA H 59 5.061 5.061 4.572 0.489 17904 1426 1 8 . 1 1 65 65 TRP H H 59 8.014 8.014 8.516 -0.502 17904 1427 1 8 . 1 1 66 66 ASP HA H 60 4.982 4.982 5.122 -0.140 17904 1428 1 8 . 1 1 66 66 ASP H H 60 9.639 9.639 8.584 1.055 17904 1429 1 8 . 1 1 67 67 GLU HA H 61 3.665 3.665 4.151 -0.486 17904 1430 1 8 . 1 1 67 67 GLU H H 61 10.320 10.320 8.950 1.370 17904 1431 1 8 . 1 1 68 68 ASN HA H 62 4.621 4.621 4.708 -0.087 17904 1432 1 8 . 1 1 68 68 ASN H H 62 8.337 8.337 8.764 -0.427 17904 1433 1 8 . 1 1 69 69 ASN HA H 63 4.569 4.569 4.578 -0.009 17904 1434 1 8 . 1 1 69 69 ASN H H 63 9.641 9.641 8.604 1.037 17904 1435 1 8 . 1 1 70 70 MET H H 64 9.001 9.001 8.643 0.358 17904 1436 1 8 . 1 1 71 71 SER HA H 65 3.915 3.915 4.145 -0.230 17904 1437 1 8 . 1 1 71 71 SER H H 65 7.867 7.867 7.899 -0.032 17904 1438 1 8 . 1 1 72 72 GLU HA H 66 3.840 3.840 4.292 -0.452 17904 1439 1 8 . 1 1 72 72 GLU H H 66 7.837 7.837 7.713 0.124 17904 1440 1 8 . 1 1 73 73 TYR HA H 67 3.869 3.869 4.444 -0.575 17904 1441 1 8 . 1 1 73 73 TYR H H 67 8.463 8.463 8.060 0.403 17904 1442 1 8 . 1 1 74 74 LEU HA H 68 3.377 3.377 3.786 -0.409 17904 1443 1 8 . 1 1 74 74 LEU H H 68 8.164 8.164 7.685 0.479 17904 1444 1 8 . 1 1 75 75 THR HA H 69 3.811 3.811 4.119 -0.308 17904 1445 1 8 . 1 1 75 75 THR H H 69 7.428 7.428 8.109 -0.681 17904 1446 1 8 . 1 1 76 76 ASN HA H 70 4.317 4.317 5.009 -0.692 17904 1447 1 8 . 1 1 76 76 ASN H H 70 6.486 6.486 8.405 -1.919 17904 1448 1 8 . 1 1 77 77 HIS HA H 71 4.215 4.215 4.979 -0.764 17904 1449 1 8 . 1 1 77 77 HIS H H 71 9.673 9.673 8.616 1.057 17904 1450 1 8 . 1 1 78 78 ALA HA H 72 3.898 3.898 4.188 -0.290 17904 1451 1 8 . 1 1 78 78 ALA H H 72 7.763 7.763 8.577 -0.814 17904 1452 1 8 . 1 1 79 79 LYS HA H 73 4.214 4.214 4.087 0.127 17904 1453 1 8 . 1 1 79 79 LYS H H 73 7.163 7.163 7.920 -0.757 17904 1454 1 8 . 1 1 80 80 TYR HA H 74 4.093 4.093 4.631 -0.538 17904 1455 1 8 . 1 1 80 80 TYR H H 74 7.351 7.351 7.840 -0.489 17904 1456 1 8 . 1 1 81 81 ILE HA H 75 4.103 4.103 4.399 -0.296 17904 1457 1 8 . 1 1 81 81 ILE H H 75 8.335 8.335 7.136 1.199 17904 1458 1 8 . 1 1 83 83 GLY H H 77 8.794 8.794 8.498 0.296 17904 1459 1 8 . 1 1 84 84 THR HA H 78 4.691 4.691 4.212 0.479 17904 1460 1 8 . 1 1 84 84 THR H H 78 8.171 8.171 7.512 0.659 17904 1461 1 8 . 1 1 85 85 LYS HA H 79 4.293 4.293 4.516 -0.223 17904 1462 1 8 . 1 1 85 85 LYS H H 79 8.790 8.790 8.337 0.453 17904 1463 1 8 . 1 1 86 86 MET HA H 80 3.102 3.102 4.651 -1.549 17904 1464 1 8 . 1 1 86 86 MET H H 80 7.058 7.058 8.624 -1.566 17904 1465 1 8 . 1 1 87 87 ALA HA H 81 4.212 4.212 4.222 -0.010 17904 1466 1 8 . 1 1 87 87 ALA H H 81 8.152 8.152 8.345 -0.193 17904 1467 1 8 . 1 1 88 88 PHE HA H 82 4.369 4.369 4.482 -0.113 17904 1468 1 8 . 1 1 88 88 PHE H H 82 6.361 6.361 7.926 -1.565 17904 1469 1 8 . 1 1 90 90 GLY H H 84 8.982 8.982 7.134 1.848 17904 1470 1 8 . 1 1 91 91 LEU H H 85 8.462 8.462 8.201 0.261 17904 1471 1 8 . 1 1 92 92 LYS HA H 86 3.968 3.968 4.028 -0.060 17904 1472 1 8 . 1 1 92 92 LYS H H 86 8.707 8.707 8.669 0.038 17904 1473 1 8 . 1 1 93 93 LYS HA H 87 4.791 4.791 4.115 0.676 17904 1474 1 8 . 1 1 93 93 LYS H H 87 8.984 8.984 8.120 0.864 17904 1475 1 8 . 1 1 94 94 GLU HA H 88 3.847 3.847 3.813 0.034 17904 1476 1 8 . 1 1 94 94 GLU H H 88 9.115 9.115 8.293 0.822 17904 1477 1 8 . 1 1 95 95 LYS HA H 89 3.968 3.968 4.009 -0.041 17904 1478 1 8 . 1 1 95 95 LYS H H 89 8.809 8.809 8.482 0.327 17904 1479 1 8 . 1 1 96 96 ASP HA H 90 4.019 4.019 4.649 -0.630 17904 1480 1 8 . 1 1 96 96 ASP H H 90 6.540 6.540 8.548 -2.008 17904 1481 1 8 . 1 1 97 97 ARG HA H 91 3.937 3.937 4.077 -0.140 17904 1482 1 8 . 1 1 97 97 ARG H H 91 7.653 7.653 8.243 -0.590 17904 1483 1 8 . 1 1 98 98 ASN HA H 92 3.970 3.970 4.553 -0.583 17904 1484 1 8 . 1 1 98 98 ASN H H 92 8.843 8.843 8.027 0.816 17904 1485 1 8 . 1 1 99 99 ASP HA H 93 4.262 4.262 4.520 -0.258 17904 1486 1 8 . 1 1 99 99 ASP H H 93 8.850 8.850 7.527 1.323 17904 1487 1 8 . 1 1 100 100 LEU HA H 94 4.250 4.250 3.942 0.308 17904 1488 1 8 . 1 1 100 100 LEU H H 94 8.711 8.711 7.440 1.271 17904 1489 1 8 . 1 1 101 101 ILE HA H 95 3.653 3.653 3.442 0.211 17904 1490 1 8 . 1 1 101 101 ILE H H 95 9.304 9.304 7.347 1.957 17904 1491 1 8 . 1 1 102 102 THR HA H 96 3.890 3.890 4.071 -0.181 17904 1492 1 8 . 1 1 102 102 THR H H 96 8.346 8.346 7.888 0.458 17904 1493 1 8 . 1 1 103 103 TYR HA H 97 4.129 4.129 4.040 0.089 17904 1494 1 8 . 1 1 103 103 TYR H H 97 8.017 8.017 7.964 0.053 17904 1495 1 8 . 1 1 104 104 LEU HA H 98 3.360 3.360 3.772 -0.412 17904 1496 1 8 . 1 1 104 104 LEU H H 98 9.407 9.407 7.923 1.484 17904 1497 1 8 . 1 1 105 105 LYS HA H 99 3.492 3.492 3.442 0.050 17904 1498 1 8 . 1 1 105 105 LYS H H 99 8.846 8.846 7.426 1.420 17904 1499 1 8 . 1 1 106 106 LYS HA H 100 4.123 4.123 3.877 0.246 17904 1500 1 8 . 1 1 106 106 LYS H H 100 6.661 6.661 7.147 -0.486 17904 1501 1 8 . 1 1 107 107 ALA HA H 101 3.931 3.931 3.723 0.208 17904 1502 1 8 . 1 1 107 107 ALA H H 101 8.465 8.465 7.048 1.417 17904 1503 1 8 . 1 1 108 108 THR HA H 102 3.967 3.967 4.213 -0.246 17904 1504 1 8 . 1 1 108 108 THR H H 102 7.385 7.385 7.240 0.145 17904 1505 1 9 . 1 1 3 3 PHE HA H -3 4.481 4.481 4.720 -0.239 17904 1506 1 9 . 1 1 3 3 PHE H H -3 8.881 8.881 8.482 0.399 17904 1507 1 9 . 1 1 4 4 LYS HA H -2 3.873 3.873 4.202 -0.329 17904 1508 1 9 . 1 1 4 4 LYS H H -2 6.768 6.768 8.667 -1.899 17904 1509 1 9 . 1 1 8 8 SER HA H 2 4.840 4.840 4.748 0.092 17904 1510 1 9 . 1 1 8 8 SER H H 2 9.588 9.588 8.404 1.184 17904 1511 1 9 . 1 1 9 9 ALA HA H 3 4.033 4.033 4.294 -0.261 17904 1512 1 9 . 1 1 9 9 ALA H H 3 7.706 7.706 8.973 -1.267 17904 1513 1 9 . 1 1 10 10 LYS HA H 4 4.329 4.329 4.084 0.245 17904 1514 1 9 . 1 1 10 10 LYS H H 4 8.465 8.465 8.646 -0.181 17904 1515 1 9 . 1 1 11 11 LYS HA H 5 4.155 4.155 4.080 0.075 17904 1516 1 9 . 1 1 11 11 LYS H H 5 7.893 7.893 8.251 -0.358 17904 1517 1 9 . 1 1 12 12 GLY H H 6 8.906 8.906 8.030 0.876 17904 1518 1 9 . 1 1 13 13 ALA HA H 7 2.418 2.418 3.242 -0.824 17904 1519 1 9 . 1 1 13 13 ALA H H 7 8.157 8.157 8.531 -0.374 17904 1520 1 9 . 1 1 14 14 THR HA H 8 3.940 3.940 3.949 -0.009 17904 1521 1 9 . 1 1 14 14 THR H H 8 7.325 7.325 7.852 -0.527 17904 1522 1 9 . 1 1 15 15 LEU HA H 9 4.109 4.109 4.083 0.026 17904 1523 1 9 . 1 1 15 15 LEU H H 9 8.044 8.044 7.715 0.329 17904 1524 1 9 . 1 1 16 16 PHE HA H 10 4.048 4.048 3.871 0.177 17904 1525 1 9 . 1 1 16 16 PHE H H 10 8.956 8.956 8.688 0.268 17904 1526 1 9 . 1 1 17 17 LYS HA H 11 4.018 4.018 4.038 -0.020 17904 1527 1 9 . 1 1 17 17 LYS H H 11 8.433 8.433 8.373 0.060 17904 1528 1 9 . 1 1 18 18 THR HA H 12 4.305 4.305 4.359 -0.054 17904 1529 1 9 . 1 1 18 18 THR H H 12 8.023 8.023 7.818 0.205 17904 1530 1 9 . 1 1 19 19 ARG HA H 13 5.317 5.317 4.601 0.716 17904 1531 1 9 . 1 1 19 19 ARG H H 13 8.745 8.745 7.620 1.125 17904 1532 1 9 . 1 1 20 20 CYS HA H 14 5.441 5.441 4.538 0.903 17904 1533 1 9 . 1 1 20 20 CYS H H 14 8.022 8.022 8.166 -0.144 17904 1534 1 9 . 1 1 21 21 LEU HA H 15 4.144 4.144 4.439 -0.295 17904 1535 1 9 . 1 1 21 21 LEU H H 15 7.325 7.325 7.547 -0.222 17904 1536 1 9 . 1 1 22 22 GLN HA H 16 4.004 4.004 4.016 -0.012 17904 1537 1 9 . 1 1 22 22 GLN H H 16 9.109 9.109 8.351 0.758 17904 1538 1 9 . 1 1 23 23 CYS HA H 17 4.341 4.341 4.505 -0.164 17904 1539 1 9 . 1 1 23 23 CYS H H 17 7.154 7.154 7.983 -0.829 17904 1540 1 9 . 1 1 24 24 HIS HA H 18 3.530 3.530 4.455 -0.925 17904 1541 1 9 . 1 1 24 24 HIS H H 18 6.626 6.626 8.540 -1.914 17904 1542 1 9 . 1 1 25 25 THR HA H 19 4.514 4.514 4.035 0.479 17904 1543 1 9 . 1 1 25 25 THR H H 19 7.223 7.223 8.159 -0.936 17904 1544 1 9 . 1 1 26 26 VAL HA H 20 4.085 4.085 3.613 0.472 17904 1545 1 9 . 1 1 26 26 VAL H H 20 8.015 8.015 8.748 -0.733 17904 1546 1 9 . 1 1 27 27 GLU HA H 21 4.158 4.158 3.934 0.224 17904 1547 1 9 . 1 1 27 27 GLU H H 21 8.343 8.343 8.539 -0.196 17904 1548 1 9 . 1 1 28 28 LYS HA H 22 3.149 3.149 3.626 -0.477 17904 1549 1 9 . 1 1 28 28 LYS H H 22 8.673 8.673 8.071 0.602 17904 1550 1 9 . 1 1 29 29 GLY H H 23 9.308 9.308 7.705 1.603 17904 1551 1 9 . 1 1 30 30 GLY H H 24 7.977 7.977 7.671 0.306 17904 1552 1 9 . 1 1 31 31 PRO HA H 25 4.131 4.131 4.186 -0.055 17904 1553 1 9 . 1 1 32 32 HIS HA H 26 4.261 4.261 4.636 -0.375 17904 1554 1 9 . 1 1 32 32 HIS H H 26 8.337 8.337 8.544 -0.207 17904 1555 1 9 . 1 1 33 33 LYS HA H 27 4.197 4.197 4.604 -0.407 17904 1556 1 9 . 1 1 33 33 LYS H H 27 7.722 7.722 7.847 -0.125 17904 1557 1 9 . 1 1 34 34 VAL HA H 28 3.969 3.969 3.896 0.073 17904 1558 1 9 . 1 1 34 34 VAL H H 28 7.175 7.175 8.442 -1.267 17904 1559 1 9 . 1 1 35 35 GLY H H 29 7.759 7.759 7.370 0.389 17904 1560 1 9 . 1 1 36 36 PRO HA H 30 3.538 3.538 4.111 -0.573 17904 1561 1 9 . 1 1 37 37 ASN HA H 31 3.932 3.932 4.693 -0.761 17904 1562 1 9 . 1 1 37 37 ASN H H 31 10.796 10.796 9.046 1.750 17904 1563 1 9 . 1 1 38 38 LEU HA H 32 3.935 3.935 4.329 -0.394 17904 1564 1 9 . 1 1 38 38 LEU H H 32 7.881 7.881 9.024 -1.143 17904 1565 1 9 . 1 1 39 39 HIS HA H 33 3.866 3.866 4.917 -1.051 17904 1566 1 9 . 1 1 39 39 HIS H H 33 7.395 7.395 9.038 -1.643 17904 1567 1 9 . 1 1 40 40 GLY H H 34 9.005 9.005 7.638 1.367 17904 1568 1 9 . 1 1 41 41 ILE HA H 35 3.968 3.968 3.797 0.171 17904 1569 1 9 . 1 1 41 41 ILE H H 35 7.217 7.217 8.013 -0.796 17904 1570 1 9 . 1 1 42 42 PHE HA H 36 4.306 4.306 4.636 -0.331 17904 1571 1 9 . 1 1 42 42 PHE H H 36 7.890 7.890 7.710 0.180 17904 1572 1 9 . 1 1 43 43 GLY H H 37 8.792 8.792 8.545 0.247 17904 1573 1 9 . 1 1 44 44 ARG HA H 38 4.851 4.851 4.757 0.094 17904 1574 1 9 . 1 1 44 44 ARG H H 38 7.974 7.974 8.295 -0.321 17904 1575 1 9 . 1 1 45 45 HIS HA H 39 5.616 5.616 4.323 1.293 17904 1576 1 9 . 1 1 45 45 HIS H H 39 7.894 7.894 8.364 -0.470 17904 1577 1 9 . 1 1 46 46 SER HA H 40 5.060 5.060 4.192 0.868 17904 1578 1 9 . 1 1 46 46 SER H H 40 8.779 8.779 7.875 0.904 17904 1579 1 9 . 1 1 47 47 GLY H H 41 8.279 8.279 8.759 -0.480 17904 1580 1 9 . 1 1 48 48 GLN HA H 42 4.659 4.659 4.025 0.634 17904 1581 1 9 . 1 1 48 48 GLN H H 42 8.725 8.725 8.627 0.098 17904 1582 1 9 . 1 1 49 49 ALA HA H 43 4.141 4.141 4.430 -0.289 17904 1583 1 9 . 1 1 49 49 ALA H H 43 8.725 8.725 8.279 0.446 17904 1584 1 9 . 1 1 50 50 GLU HA H 44 4.281 4.281 4.105 0.176 17904 1585 1 9 . 1 1 50 50 GLU H H 44 8.863 8.863 8.916 -0.053 17904 1586 1 9 . 1 1 51 51 GLY H H 45 8.861 8.861 7.908 0.953 17904 1587 1 9 . 1 1 52 52 TYR HA H 46 4.031 4.031 4.057 -0.026 17904 1588 1 9 . 1 1 52 52 TYR H H 46 7.208 7.208 6.448 0.760 17904 1589 1 9 . 1 1 53 53 SER HA H 47 4.411 4.411 4.409 0.002 17904 1590 1 9 . 1 1 53 53 SER H H 47 7.047 7.047 7.168 -0.121 17904 1591 1 9 . 1 1 54 54 TYR HA H 48 5.260 5.260 4.757 0.503 17904 1592 1 9 . 1 1 54 54 TYR H H 48 8.290 8.290 8.418 -0.128 17904 1593 1 9 . 1 1 55 55 THR HA H 49 4.521 4.521 4.278 0.243 17904 1594 1 9 . 1 1 55 55 THR H H 49 10.374 10.374 8.292 2.082 17904 1595 1 9 . 1 1 56 56 ASP HA H 50 4.131 4.131 4.346 -0.215 17904 1596 1 9 . 1 1 56 56 ASP H H 50 8.689 8.689 8.846 -0.157 17904 1597 1 9 . 1 1 57 57 ALA HA H 51 3.902 3.902 3.891 0.011 17904 1598 1 9 . 1 1 57 57 ALA H H 51 7.709 7.709 8.063 -0.354 17904 1599 1 9 . 1 1 58 58 ASN HA H 52 4.141 4.141 4.420 -0.279 17904 1600 1 9 . 1 1 58 58 ASN H H 52 8.285 8.285 7.709 0.576 17904 1601 1 9 . 1 1 59 59 ILE HA H 53 3.354 3.354 3.688 -0.334 17904 1602 1 9 . 1 1 59 59 ILE H H 53 7.708 7.708 7.609 0.099 17904 1603 1 9 . 1 1 60 60 LYS HA H 54 3.874 3.874 4.006 -0.132 17904 1604 1 9 . 1 1 60 60 LYS H H 54 9.160 9.160 8.615 0.545 17904 1605 1 9 . 1 1 61 61 LYS HA H 55 3.834 3.834 4.056 -0.222 17904 1606 1 9 . 1 1 61 61 LYS H H 55 7.484 7.484 7.653 -0.169 17904 1607 1 9 . 1 1 62 62 ASN HA H 56 4.297 4.297 4.150 0.147 17904 1608 1 9 . 1 1 62 62 ASN H H 56 7.052 7.052 7.886 -0.834 17904 1609 1 9 . 1 1 63 63 VAL HA H 57 3.708 3.708 4.145 -0.437 17904 1610 1 9 . 1 1 63 63 VAL H H 57 7.420 7.420 8.050 -0.630 17904 1611 1 9 . 1 1 64 64 LEU HA H 58 3.841 3.841 4.429 -0.588 17904 1612 1 9 . 1 1 64 64 LEU H H 58 8.346 8.346 8.025 0.321 17904 1613 1 9 . 1 1 65 65 TRP HA H 59 5.061 5.061 4.448 0.613 17904 1614 1 9 . 1 1 65 65 TRP H H 59 8.014 8.014 8.310 -0.296 17904 1615 1 9 . 1 1 66 66 ASP HA H 60 4.982 4.982 5.204 -0.222 17904 1616 1 9 . 1 1 66 66 ASP H H 60 9.639 9.639 8.548 1.091 17904 1617 1 9 . 1 1 67 67 GLU HA H 61 3.665 3.665 4.174 -0.509 17904 1618 1 9 . 1 1 67 67 GLU H H 61 10.320 10.320 9.027 1.293 17904 1619 1 9 . 1 1 68 68 ASN HA H 62 4.621 4.621 4.627 -0.006 17904 1620 1 9 . 1 1 68 68 ASN H H 62 8.337 8.337 8.567 -0.230 17904 1621 1 9 . 1 1 69 69 ASN HA H 63 4.569 4.569 4.575 -0.006 17904 1622 1 9 . 1 1 69 69 ASN H H 63 9.641 9.641 8.358 1.283 17904 1623 1 9 . 1 1 70 70 MET H H 64 9.001 9.001 8.606 0.395 17904 1624 1 9 . 1 1 71 71 SER HA H 65 3.915 3.915 4.103 -0.188 17904 1625 1 9 . 1 1 71 71 SER H H 65 7.867 7.867 7.739 0.128 17904 1626 1 9 . 1 1 72 72 GLU HA H 66 3.840 3.840 4.255 -0.415 17904 1627 1 9 . 1 1 72 72 GLU H H 66 7.837 7.837 7.602 0.235 17904 1628 1 9 . 1 1 73 73 TYR HA H 67 3.869 3.869 4.584 -0.715 17904 1629 1 9 . 1 1 73 73 TYR H H 67 8.463 8.463 8.425 0.038 17904 1630 1 9 . 1 1 74 74 LEU HA H 68 3.377 3.377 3.433 -0.056 17904 1631 1 9 . 1 1 74 74 LEU H H 68 8.164 8.164 8.055 0.109 17904 1632 1 9 . 1 1 75 75 THR HA H 69 3.811 3.811 4.185 -0.374 17904 1633 1 9 . 1 1 75 75 THR H H 69 7.428 7.428 7.859 -0.431 17904 1634 1 9 . 1 1 76 76 ASN HA H 70 4.317 4.317 4.992 -0.675 17904 1635 1 9 . 1 1 76 76 ASN H H 70 6.486 6.486 8.421 -1.935 17904 1636 1 9 . 1 1 77 77 HIS HA H 71 4.215 4.215 5.061 -0.846 17904 1637 1 9 . 1 1 77 77 HIS H H 71 9.673 9.673 8.167 1.506 17904 1638 1 9 . 1 1 78 78 ALA HA H 72 3.898 3.898 4.240 -0.342 17904 1639 1 9 . 1 1 78 78 ALA H H 72 7.763 7.763 8.371 -0.608 17904 1640 1 9 . 1 1 79 79 LYS HA H 73 4.214 4.214 4.003 0.211 17904 1641 1 9 . 1 1 79 79 LYS H H 73 7.163 7.163 8.519 -1.356 17904 1642 1 9 . 1 1 80 80 TYR HA H 74 4.093 4.093 4.300 -0.207 17904 1643 1 9 . 1 1 80 80 TYR H H 74 7.351 7.351 7.988 -0.637 17904 1644 1 9 . 1 1 81 81 ILE HA H 75 4.103 4.103 4.414 -0.311 17904 1645 1 9 . 1 1 81 81 ILE H H 75 8.335 8.335 7.511 0.824 17904 1646 1 9 . 1 1 83 83 GLY H H 77 8.794 8.794 8.649 0.145 17904 1647 1 9 . 1 1 84 84 THR HA H 78 4.691 4.691 4.317 0.374 17904 1648 1 9 . 1 1 84 84 THR H H 78 8.171 8.171 7.636 0.535 17904 1649 1 9 . 1 1 85 85 LYS HA H 79 4.293 4.293 4.626 -0.333 17904 1650 1 9 . 1 1 85 85 LYS H H 79 8.790 8.790 8.472 0.318 17904 1651 1 9 . 1 1 86 86 MET HA H 80 3.102 3.102 4.808 -1.706 17904 1652 1 9 . 1 1 86 86 MET H H 80 7.058 7.058 8.719 -1.661 17904 1653 1 9 . 1 1 87 87 ALA HA H 81 4.212 4.212 4.179 0.033 17904 1654 1 9 . 1 1 87 87 ALA H H 81 8.152 8.152 8.626 -0.474 17904 1655 1 9 . 1 1 88 88 PHE HA H 82 4.369 4.369 4.110 0.259 17904 1656 1 9 . 1 1 88 88 PHE H H 82 6.361 6.361 8.008 -1.647 17904 1657 1 9 . 1 1 90 90 GLY H H 84 8.982 8.982 8.088 0.894 17904 1658 1 9 . 1 1 91 91 LEU H H 85 8.462 8.462 8.356 0.106 17904 1659 1 9 . 1 1 92 92 LYS HA H 86 3.968 3.968 4.071 -0.103 17904 1660 1 9 . 1 1 92 92 LYS H H 86 8.707 8.707 8.421 0.286 17904 1661 1 9 . 1 1 93 93 LYS HA H 87 4.791 4.791 4.424 0.367 17904 1662 1 9 . 1 1 93 93 LYS H H 87 8.984 8.984 8.048 0.936 17904 1663 1 9 . 1 1 94 94 GLU HA H 88 3.847 3.847 3.969 -0.122 17904 1664 1 9 . 1 1 94 94 GLU H H 88 9.115 9.115 8.704 0.411 17904 1665 1 9 . 1 1 95 95 LYS HA H 89 3.968 3.968 4.055 -0.087 17904 1666 1 9 . 1 1 95 95 LYS H H 89 8.809 8.809 8.490 0.319 17904 1667 1 9 . 1 1 96 96 ASP HA H 90 4.019 4.019 4.644 -0.625 17904 1668 1 9 . 1 1 96 96 ASP H H 90 6.540 6.540 8.372 -1.832 17904 1669 1 9 . 1 1 97 97 ARG HA H 91 3.937 3.937 4.004 -0.067 17904 1670 1 9 . 1 1 97 97 ARG H H 91 7.653 7.653 7.844 -0.191 17904 1671 1 9 . 1 1 98 98 ASN HA H 92 3.970 3.970 4.506 -0.536 17904 1672 1 9 . 1 1 98 98 ASN H H 92 8.843 8.843 8.232 0.611 17904 1673 1 9 . 1 1 99 99 ASP HA H 93 4.262 4.262 4.526 -0.264 17904 1674 1 9 . 1 1 99 99 ASP H H 93 8.850 8.850 7.625 1.225 17904 1675 1 9 . 1 1 100 100 LEU HA H 94 4.250 4.250 3.985 0.265 17904 1676 1 9 . 1 1 100 100 LEU H H 94 8.711 8.711 7.258 1.453 17904 1677 1 9 . 1 1 101 101 ILE HA H 95 3.653 3.653 3.419 0.234 17904 1678 1 9 . 1 1 101 101 ILE H H 95 9.304 9.304 7.361 1.943 17904 1679 1 9 . 1 1 102 102 THR HA H 96 3.890 3.890 4.148 -0.258 17904 1680 1 9 . 1 1 102 102 THR H H 96 8.346 8.346 7.776 0.570 17904 1681 1 9 . 1 1 103 103 TYR HA H 97 4.129 4.129 4.095 0.034 17904 1682 1 9 . 1 1 103 103 TYR H H 97 8.017 8.017 7.581 0.436 17904 1683 1 9 . 1 1 104 104 LEU HA H 98 3.360 3.360 3.684 -0.324 17904 1684 1 9 . 1 1 104 104 LEU H H 98 9.407 9.407 7.997 1.410 17904 1685 1 9 . 1 1 105 105 LYS HA H 99 3.492 3.492 3.466 0.026 17904 1686 1 9 . 1 1 105 105 LYS H H 99 8.846 8.846 7.454 1.392 17904 1687 1 9 . 1 1 106 106 LYS HA H 100 4.123 4.123 3.883 0.240 17904 1688 1 9 . 1 1 106 106 LYS H H 100 6.661 6.661 7.081 -0.420 17904 1689 1 9 . 1 1 107 107 ALA HA H 101 3.931 3.931 3.417 0.514 17904 1690 1 9 . 1 1 107 107 ALA H H 101 8.465 8.465 7.595 0.870 17904 1691 1 9 . 1 1 108 108 THR HA H 102 3.967 3.967 4.210 -0.243 17904 1692 1 9 . 1 1 108 108 THR H H 102 7.385 7.385 7.294 0.091 17904 1693 1 10 . 1 1 3 3 PHE HA H -3 4.481 4.481 4.641 -0.160 17904 1694 1 10 . 1 1 3 3 PHE H H -3 8.881 8.881 8.485 0.396 17904 1695 1 10 . 1 1 4 4 LYS HA H -2 3.873 3.873 4.061 -0.188 17904 1696 1 10 . 1 1 4 4 LYS H H -2 6.768 6.768 8.377 -1.609 17904 1697 1 10 . 1 1 8 8 SER HA H 2 4.840 4.840 4.797 0.043 17904 1698 1 10 . 1 1 8 8 SER H H 2 9.588 9.588 8.318 1.270 17904 1699 1 10 . 1 1 9 9 ALA HA H 3 4.033 4.033 4.349 -0.316 17904 1700 1 10 . 1 1 9 9 ALA H H 3 7.706 7.706 8.960 -1.254 17904 1701 1 10 . 1 1 10 10 LYS HA H 4 4.329 4.329 3.988 0.341 17904 1702 1 10 . 1 1 10 10 LYS H H 4 8.465 8.465 8.160 0.305 17904 1703 1 10 . 1 1 11 11 LYS HA H 5 4.155 4.155 4.031 0.124 17904 1704 1 10 . 1 1 11 11 LYS H H 5 7.893 7.893 7.551 0.342 17904 1705 1 10 . 1 1 12 12 GLY H H 6 8.906 8.906 7.711 1.195 17904 1706 1 10 . 1 1 13 13 ALA HA H 7 2.418 2.418 3.336 -0.918 17904 1707 1 10 . 1 1 13 13 ALA H H 7 8.157 8.157 8.211 -0.054 17904 1708 1 10 . 1 1 14 14 THR HA H 8 3.940 3.940 3.923 0.017 17904 1709 1 10 . 1 1 14 14 THR H H 8 7.325 7.325 7.721 -0.396 17904 1710 1 10 . 1 1 15 15 LEU HA H 9 4.109 4.109 4.116 -0.007 17904 1711 1 10 . 1 1 15 15 LEU H H 9 8.044 8.044 7.636 0.408 17904 1712 1 10 . 1 1 16 16 PHE HA H 10 4.048 4.048 3.981 0.067 17904 1713 1 10 . 1 1 16 16 PHE H H 10 8.956 8.956 8.479 0.477 17904 1714 1 10 . 1 1 17 17 LYS HA H 11 4.018 4.018 4.233 -0.215 17904 1715 1 10 . 1 1 17 17 LYS H H 11 8.433 8.433 8.500 -0.067 17904 1716 1 10 . 1 1 18 18 THR HA H 12 4.305 4.305 4.447 -0.142 17904 1717 1 10 . 1 1 18 18 THR H H 12 8.023 8.023 7.552 0.471 17904 1718 1 10 . 1 1 19 19 ARG HA H 13 5.317 5.317 4.508 0.809 17904 1719 1 10 . 1 1 19 19 ARG H H 13 8.745 8.745 7.497 1.248 17904 1720 1 10 . 1 1 20 20 CYS HA H 14 5.441 5.441 4.388 1.053 17904 1721 1 10 . 1 1 20 20 CYS H H 14 8.022 8.022 7.848 0.174 17904 1722 1 10 . 1 1 21 21 LEU HA H 15 4.144 4.144 4.252 -0.108 17904 1723 1 10 . 1 1 21 21 LEU H H 15 7.325 7.325 7.980 -0.655 17904 1724 1 10 . 1 1 22 22 GLN HA H 16 4.004 4.004 4.149 -0.145 17904 1725 1 10 . 1 1 22 22 GLN H H 16 9.109 9.109 8.226 0.883 17904 1726 1 10 . 1 1 23 23 CYS HA H 17 4.341 4.341 4.554 -0.213 17904 1727 1 10 . 1 1 23 23 CYS H H 17 7.154 7.154 7.747 -0.593 17904 1728 1 10 . 1 1 24 24 HIS HA H 18 3.530 3.530 4.556 -1.026 17904 1729 1 10 . 1 1 24 24 HIS H H 18 6.626 6.626 8.420 -1.794 17904 1730 1 10 . 1 1 25 25 THR HA H 19 4.514 4.514 4.007 0.507 17904 1731 1 10 . 1 1 25 25 THR H H 19 7.223 7.223 7.698 -0.475 17904 1732 1 10 . 1 1 26 26 VAL HA H 20 4.085 4.085 4.027 0.058 17904 1733 1 10 . 1 1 26 26 VAL H H 20 8.015 8.015 9.018 -1.003 17904 1734 1 10 . 1 1 27 27 GLU HA H 21 4.158 4.158 4.012 0.146 17904 1735 1 10 . 1 1 27 27 GLU H H 21 8.343 8.343 8.741 -0.398 17904 1736 1 10 . 1 1 28 28 LYS HA H 22 3.149 3.149 3.804 -0.655 17904 1737 1 10 . 1 1 28 28 LYS H H 22 8.673 8.673 8.653 0.020 17904 1738 1 10 . 1 1 29 29 GLY H H 23 9.308 9.308 7.649 1.659 17904 1739 1 10 . 1 1 30 30 GLY H H 24 7.977 7.977 7.582 0.395 17904 1740 1 10 . 1 1 31 31 PRO HA H 25 4.131 4.131 4.234 -0.103 17904 1741 1 10 . 1 1 32 32 HIS HA H 26 4.261 4.261 4.701 -0.440 17904 1742 1 10 . 1 1 32 32 HIS H H 26 8.337 8.337 8.485 -0.148 17904 1743 1 10 . 1 1 33 33 LYS HA H 27 4.197 4.197 4.610 -0.413 17904 1744 1 10 . 1 1 33 33 LYS H H 27 7.722 7.722 8.009 -0.287 17904 1745 1 10 . 1 1 34 34 VAL HA H 28 3.969 3.969 3.893 0.076 17904 1746 1 10 . 1 1 34 34 VAL H H 28 7.175 7.175 8.612 -1.437 17904 1747 1 10 . 1 1 35 35 GLY H H 29 7.759 7.759 7.527 0.232 17904 1748 1 10 . 1 1 36 36 PRO HA H 30 3.538 3.538 4.085 -0.547 17904 1749 1 10 . 1 1 37 37 ASN HA H 31 3.932 3.932 4.734 -0.802 17904 1750 1 10 . 1 1 37 37 ASN H H 31 10.796 10.796 9.060 1.736 17904 1751 1 10 . 1 1 38 38 LEU HA H 32 3.935 3.935 4.022 -0.087 17904 1752 1 10 . 1 1 38 38 LEU H H 32 7.881 7.881 8.460 -0.579 17904 1753 1 10 . 1 1 39 39 HIS HA H 33 3.866 3.866 4.838 -0.972 17904 1754 1 10 . 1 1 39 39 HIS H H 33 7.395 7.395 8.570 -1.175 17904 1755 1 10 . 1 1 40 40 GLY H H 34 9.005 9.005 8.501 0.504 17904 1756 1 10 . 1 1 41 41 ILE HA H 35 3.968 3.968 3.757 0.211 17904 1757 1 10 . 1 1 41 41 ILE H H 35 7.217 7.217 8.128 -0.911 17904 1758 1 10 . 1 1 42 42 PHE HA H 36 4.306 4.306 4.926 -0.620 17904 1759 1 10 . 1 1 42 42 PHE H H 36 7.890 7.890 7.583 0.307 17904 1760 1 10 . 1 1 43 43 GLY H H 37 8.792 8.792 8.424 0.368 17904 1761 1 10 . 1 1 44 44 ARG HA H 38 4.851 4.851 4.735 0.116 17904 1762 1 10 . 1 1 44 44 ARG H H 38 7.974 7.974 8.352 -0.378 17904 1763 1 10 . 1 1 45 45 HIS HA H 39 5.616 5.616 4.170 1.446 17904 1764 1 10 . 1 1 45 45 HIS H H 39 7.894 7.894 8.298 -0.404 17904 1765 1 10 . 1 1 46 46 SER HA H 40 5.060 5.060 4.272 0.787 17904 1766 1 10 . 1 1 46 46 SER H H 40 8.779 8.779 8.083 0.696 17904 1767 1 10 . 1 1 47 47 GLY H H 41 8.279 8.279 8.376 -0.097 17904 1768 1 10 . 1 1 48 48 GLN HA H 42 4.659 4.659 4.309 0.350 17904 1769 1 10 . 1 1 48 48 GLN H H 42 8.725 8.725 8.157 0.568 17904 1770 1 10 . 1 1 49 49 ALA HA H 43 4.141 4.141 4.461 -0.320 17904 1771 1 10 . 1 1 49 49 ALA H H 43 8.725 8.725 8.122 0.603 17904 1772 1 10 . 1 1 50 50 GLU HA H 44 4.281 4.281 4.090 0.191 17904 1773 1 10 . 1 1 50 50 GLU H H 44 8.863 8.863 9.110 -0.247 17904 1774 1 10 . 1 1 51 51 GLY H H 45 8.861 8.861 8.288 0.573 17904 1775 1 10 . 1 1 52 52 TYR HA H 46 4.031 4.031 4.138 -0.107 17904 1776 1 10 . 1 1 52 52 TYR H H 46 7.208 7.208 6.893 0.315 17904 1777 1 10 . 1 1 53 53 SER HA H 47 4.411 4.411 4.379 0.032 17904 1778 1 10 . 1 1 53 53 SER H H 47 7.047 7.047 7.171 -0.124 17904 1779 1 10 . 1 1 54 54 TYR HA H 48 5.260 5.260 4.717 0.543 17904 1780 1 10 . 1 1 54 54 TYR H H 48 8.290 8.290 8.417 -0.127 17904 1781 1 10 . 1 1 55 55 THR HA H 49 4.521 4.521 4.288 0.233 17904 1782 1 10 . 1 1 55 55 THR H H 49 10.374 10.374 8.211 2.163 17904 1783 1 10 . 1 1 56 56 ASP HA H 50 4.131 4.131 4.330 -0.199 17904 1784 1 10 . 1 1 56 56 ASP H H 50 8.689 8.689 8.826 -0.137 17904 1785 1 10 . 1 1 57 57 ALA HA H 51 3.902 3.902 3.849 0.053 17904 1786 1 10 . 1 1 57 57 ALA H H 51 7.709 7.709 8.069 -0.360 17904 1787 1 10 . 1 1 58 58 ASN HA H 52 4.141 4.141 4.407 -0.266 17904 1788 1 10 . 1 1 58 58 ASN H H 52 8.285 8.285 7.878 0.407 17904 1789 1 10 . 1 1 59 59 ILE HA H 53 3.354 3.354 3.779 -0.425 17904 1790 1 10 . 1 1 59 59 ILE H H 53 7.708 7.708 7.347 0.361 17904 1791 1 10 . 1 1 60 60 LYS HA H 54 3.874 3.874 4.012 -0.138 17904 1792 1 10 . 1 1 60 60 LYS H H 54 9.160 9.160 8.504 0.656 17904 1793 1 10 . 1 1 61 61 LYS HA H 55 3.834 3.834 4.151 -0.317 17904 1794 1 10 . 1 1 61 61 LYS H H 55 7.484 7.484 7.790 -0.306 17904 1795 1 10 . 1 1 62 62 ASN HA H 56 4.297 4.297 4.178 0.119 17904 1796 1 10 . 1 1 62 62 ASN H H 56 7.052 7.052 7.721 -0.669 17904 1797 1 10 . 1 1 63 63 VAL HA H 57 3.708 3.708 4.086 -0.378 17904 1798 1 10 . 1 1 63 63 VAL H H 57 7.420 7.420 7.618 -0.198 17904 1799 1 10 . 1 1 64 64 LEU HA H 58 3.841 3.841 4.411 -0.570 17904 1800 1 10 . 1 1 64 64 LEU H H 58 8.346 8.346 8.294 0.052 17904 1801 1 10 . 1 1 65 65 TRP HA H 59 5.061 5.061 4.408 0.653 17904 1802 1 10 . 1 1 65 65 TRP H H 59 8.014 8.014 8.365 -0.351 17904 1803 1 10 . 1 1 66 66 ASP HA H 60 4.982 4.982 5.113 -0.131 17904 1804 1 10 . 1 1 66 66 ASP H H 60 9.639 9.639 8.275 1.364 17904 1805 1 10 . 1 1 67 67 GLU HA H 61 3.665 3.665 4.203 -0.538 17904 1806 1 10 . 1 1 67 67 GLU H H 61 10.320 10.320 8.991 1.329 17904 1807 1 10 . 1 1 68 68 ASN HA H 62 4.621 4.621 4.588 0.033 17904 1808 1 10 . 1 1 68 68 ASN H H 62 8.337 8.337 8.565 -0.228 17904 1809 1 10 . 1 1 69 69 ASN HA H 63 4.569 4.569 4.525 0.044 17904 1810 1 10 . 1 1 69 69 ASN H H 63 9.641 9.641 8.289 1.352 17904 1811 1 10 . 1 1 70 70 MET H H 64 9.001 9.001 8.895 0.106 17904 1812 1 10 . 1 1 71 71 SER HA H 65 3.915 3.915 4.163 -0.248 17904 1813 1 10 . 1 1 71 71 SER H H 65 7.867 7.867 7.918 -0.051 17904 1814 1 10 . 1 1 72 72 GLU HA H 66 3.840 3.840 4.251 -0.411 17904 1815 1 10 . 1 1 72 72 GLU H H 66 7.837 7.837 7.556 0.281 17904 1816 1 10 . 1 1 73 73 TYR HA H 67 3.869 3.869 4.827 -0.958 17904 1817 1 10 . 1 1 73 73 TYR H H 67 8.463 8.463 8.470 -0.007 17904 1818 1 10 . 1 1 74 74 LEU HA H 68 3.377 3.377 3.342 0.035 17904 1819 1 10 . 1 1 74 74 LEU H H 68 8.164 8.164 7.960 0.204 17904 1820 1 10 . 1 1 75 75 THR HA H 69 3.811 3.811 4.121 -0.310 17904 1821 1 10 . 1 1 75 75 THR H H 69 7.428 7.428 7.791 -0.363 17904 1822 1 10 . 1 1 76 76 ASN HA H 70 4.317 4.317 5.102 -0.785 17904 1823 1 10 . 1 1 76 76 ASN H H 70 6.486 6.486 8.569 -2.083 17904 1824 1 10 . 1 1 77 77 HIS HA H 71 4.215 4.215 5.058 -0.843 17904 1825 1 10 . 1 1 77 77 HIS H H 71 9.673 9.673 7.844 1.829 17904 1826 1 10 . 1 1 78 78 ALA HA H 72 3.898 3.898 4.340 -0.442 17904 1827 1 10 . 1 1 78 78 ALA H H 72 7.763 7.763 8.292 -0.529 17904 1828 1 10 . 1 1 79 79 LYS HA H 73 4.214 4.214 4.050 0.164 17904 1829 1 10 . 1 1 79 79 LYS H H 73 7.163 7.163 8.474 -1.311 17904 1830 1 10 . 1 1 80 80 TYR HA H 74 4.093 4.093 4.285 -0.192 17904 1831 1 10 . 1 1 80 80 TYR H H 74 7.351 7.351 8.128 -0.777 17904 1832 1 10 . 1 1 81 81 ILE HA H 75 4.103 4.103 4.277 -0.174 17904 1833 1 10 . 1 1 81 81 ILE H H 75 8.335 8.335 7.381 0.954 17904 1834 1 10 . 1 1 83 83 GLY H H 77 8.794 8.794 8.184 0.610 17904 1835 1 10 . 1 1 84 84 THR HA H 78 4.691 4.691 4.057 0.634 17904 1836 1 10 . 1 1 84 84 THR H H 78 8.171 8.171 7.934 0.237 17904 1837 1 10 . 1 1 85 85 LYS HA H 79 4.293 4.293 4.160 0.133 17904 1838 1 10 . 1 1 85 85 LYS H H 79 8.790 8.790 8.492 0.298 17904 1839 1 10 . 1 1 86 86 MET HA H 80 3.102 3.102 4.219 -1.117 17904 1840 1 10 . 1 1 86 86 MET H H 80 7.058 7.058 7.941 -0.883 17904 1841 1 10 . 1 1 87 87 ALA HA H 81 4.212 4.212 4.128 0.084 17904 1842 1 10 . 1 1 87 87 ALA H H 81 8.152 8.152 8.546 -0.394 17904 1843 1 10 . 1 1 88 88 PHE HA H 82 4.369 4.369 4.365 0.004 17904 1844 1 10 . 1 1 88 88 PHE H H 82 6.361 6.361 8.457 -2.096 17904 1845 1 10 . 1 1 90 90 GLY H H 84 8.982 8.982 7.381 1.601 17904 1846 1 10 . 1 1 91 91 LEU H H 85 8.462 8.462 8.210 0.252 17904 1847 1 10 . 1 1 92 92 LYS HA H 86 3.968 3.968 4.058 -0.090 17904 1848 1 10 . 1 1 92 92 LYS H H 86 8.707 8.707 8.572 0.135 17904 1849 1 10 . 1 1 93 93 LYS HA H 87 4.791 4.791 4.448 0.343 17904 1850 1 10 . 1 1 93 93 LYS H H 87 8.984 8.984 8.075 0.909 17904 1851 1 10 . 1 1 94 94 GLU HA H 88 3.847 3.847 3.953 -0.106 17904 1852 1 10 . 1 1 94 94 GLU H H 88 9.115 9.115 8.636 0.479 17904 1853 1 10 . 1 1 95 95 LYS HA H 89 3.968 3.968 4.043 -0.075 17904 1854 1 10 . 1 1 95 95 LYS H H 89 8.809 8.809 8.493 0.316 17904 1855 1 10 . 1 1 96 96 ASP HA H 90 4.019 4.019 4.464 -0.445 17904 1856 1 10 . 1 1 96 96 ASP H H 90 6.540 6.540 8.373 -1.833 17904 1857 1 10 . 1 1 97 97 ARG HA H 91 3.937 3.937 4.002 -0.065 17904 1858 1 10 . 1 1 97 97 ARG H H 91 7.653 7.653 7.832 -0.179 17904 1859 1 10 . 1 1 98 98 ASN HA H 92 3.970 3.970 4.529 -0.559 17904 1860 1 10 . 1 1 98 98 ASN H H 92 8.843 8.843 8.231 0.612 17904 1861 1 10 . 1 1 99 99 ASP HA H 93 4.262 4.262 4.553 -0.291 17904 1862 1 10 . 1 1 99 99 ASP H H 93 8.850 8.850 7.743 1.107 17904 1863 1 10 . 1 1 100 100 LEU HA H 94 4.250 4.250 3.974 0.277 17904 1864 1 10 . 1 1 100 100 LEU H H 94 8.711 8.711 7.394 1.317 17904 1865 1 10 . 1 1 101 101 ILE HA H 95 3.653 3.653 3.533 0.120 17904 1866 1 10 . 1 1 101 101 ILE H H 95 9.304 9.304 7.480 1.824 17904 1867 1 10 . 1 1 102 102 THR HA H 96 3.890 3.890 4.000 -0.110 17904 1868 1 10 . 1 1 102 102 THR H H 96 8.346 8.346 7.697 0.649 17904 1869 1 10 . 1 1 103 103 TYR HA H 97 4.129 4.129 4.035 0.094 17904 1870 1 10 . 1 1 103 103 TYR H H 97 8.017 8.017 7.913 0.104 17904 1871 1 10 . 1 1 104 104 LEU HA H 98 3.360 3.360 3.692 -0.332 17904 1872 1 10 . 1 1 104 104 LEU H H 98 9.407 9.407 8.415 0.992 17904 1873 1 10 . 1 1 105 105 LYS HA H 99 3.492 3.492 3.129 0.363 17904 1874 1 10 . 1 1 105 105 LYS H H 99 8.846 8.846 7.286 1.560 17904 1875 1 10 . 1 1 106 106 LYS HA H 100 4.123 4.123 3.885 0.238 17904 1876 1 10 . 1 1 106 106 LYS H H 100 6.661 6.661 7.076 -0.415 17904 1877 1 10 . 1 1 107 107 ALA HA H 101 3.931 3.931 3.341 0.590 17904 1878 1 10 . 1 1 107 107 ALA H H 101 8.465 8.465 7.441 1.024 17904 1879 1 10 . 1 1 108 108 THR HA H 102 3.967 3.967 4.240 -0.273 17904 1880 1 10 . 1 1 108 108 THR H H 102 7.385 7.385 7.340 0.045 17904 1881 1 11 . 1 1 3 3 PHE HA H -3 4.481 4.481 4.946 -0.465 17904 1882 1 11 . 1 1 3 3 PHE H H -3 8.881 8.881 8.529 0.352 17904 1883 1 11 . 1 1 4 4 LYS HA H -2 3.873 3.873 4.184 -0.311 17904 1884 1 11 . 1 1 4 4 LYS H H -2 6.768 6.768 8.639 -1.871 17904 1885 1 11 . 1 1 8 8 SER HA H 2 4.840 4.840 4.881 -0.041 17904 1886 1 11 . 1 1 8 8 SER H H 2 9.588 9.588 8.412 1.176 17904 1887 1 11 . 1 1 9 9 ALA HA H 3 4.033 4.033 4.399 -0.366 17904 1888 1 11 . 1 1 9 9 ALA H H 3 7.706 7.706 8.944 -1.238 17904 1889 1 11 . 1 1 10 10 LYS HA H 4 4.329 4.329 4.065 0.264 17904 1890 1 11 . 1 1 10 10 LYS H H 4 8.465 8.465 8.619 -0.154 17904 1891 1 11 . 1 1 11 11 LYS HA H 5 4.155 4.155 4.079 0.076 17904 1892 1 11 . 1 1 11 11 LYS H H 5 7.893 7.893 8.281 -0.388 17904 1893 1 11 . 1 1 12 12 GLY H H 6 8.906 8.906 7.779 1.127 17904 1894 1 11 . 1 1 13 13 ALA HA H 7 2.418 2.418 3.241 -0.823 17904 1895 1 11 . 1 1 13 13 ALA H H 7 8.157 8.157 8.443 -0.286 17904 1896 1 11 . 1 1 14 14 THR HA H 8 3.940 3.940 3.935 0.005 17904 1897 1 11 . 1 1 14 14 THR H H 8 7.325 7.325 7.595 -0.270 17904 1898 1 11 . 1 1 15 15 LEU HA H 9 4.109 4.109 4.055 0.054 17904 1899 1 11 . 1 1 15 15 LEU H H 9 8.044 8.044 7.473 0.571 17904 1900 1 11 . 1 1 16 16 PHE HA H 10 4.048 4.048 3.932 0.116 17904 1901 1 11 . 1 1 16 16 PHE H H 10 8.956 8.956 8.630 0.326 17904 1902 1 11 . 1 1 17 17 LYS HA H 11 4.018 4.018 3.984 0.034 17904 1903 1 11 . 1 1 17 17 LYS H H 11 8.433 8.433 8.464 -0.031 17904 1904 1 11 . 1 1 18 18 THR HA H 12 4.305 4.305 4.291 0.014 17904 1905 1 11 . 1 1 18 18 THR H H 12 8.023 8.023 8.041 -0.018 17904 1906 1 11 . 1 1 19 19 ARG HA H 13 5.317 5.317 4.526 0.791 17904 1907 1 11 . 1 1 19 19 ARG H H 13 8.745 8.745 7.436 1.309 17904 1908 1 11 . 1 1 20 20 CYS HA H 14 5.441 5.441 4.307 1.134 17904 1909 1 11 . 1 1 20 20 CYS H H 14 8.022 8.022 8.237 -0.215 17904 1910 1 11 . 1 1 21 21 LEU HA H 15 4.144 4.144 4.268 -0.124 17904 1911 1 11 . 1 1 21 21 LEU H H 15 7.325 7.325 8.086 -0.761 17904 1912 1 11 . 1 1 22 22 GLN HA H 16 4.004 4.004 4.334 -0.330 17904 1913 1 11 . 1 1 22 22 GLN H H 16 9.109 9.109 8.255 0.854 17904 1914 1 11 . 1 1 23 23 CYS HA H 17 4.341 4.341 4.555 -0.214 17904 1915 1 11 . 1 1 23 23 CYS H H 17 7.154 7.154 7.471 -0.317 17904 1916 1 11 . 1 1 24 24 HIS HA H 18 3.530 3.530 4.557 -1.027 17904 1917 1 11 . 1 1 24 24 HIS H H 18 6.626 6.626 8.348 -1.722 17904 1918 1 11 . 1 1 25 25 THR HA H 19 4.514 4.514 4.099 0.415 17904 1919 1 11 . 1 1 25 25 THR H H 19 7.223 7.223 7.864 -0.641 17904 1920 1 11 . 1 1 26 26 VAL HA H 20 4.085 4.085 4.437 -0.352 17904 1921 1 11 . 1 1 26 26 VAL H H 20 8.015 8.015 8.961 -0.946 17904 1922 1 11 . 1 1 27 27 GLU HA H 21 4.158 4.158 4.259 -0.101 17904 1923 1 11 . 1 1 27 27 GLU H H 21 8.343 8.343 8.027 0.316 17904 1924 1 11 . 1 1 28 28 LYS HA H 22 3.149 3.149 3.617 -0.468 17904 1925 1 11 . 1 1 28 28 LYS H H 22 8.673 8.673 8.080 0.593 17904 1926 1 11 . 1 1 29 29 GLY H H 23 9.308 9.308 8.267 1.041 17904 1927 1 11 . 1 1 30 30 GLY H H 24 7.977 7.977 7.750 0.227 17904 1928 1 11 . 1 1 31 31 PRO HA H 25 4.131 4.131 4.043 0.088 17904 1929 1 11 . 1 1 32 32 HIS HA H 26 4.261 4.261 4.605 -0.344 17904 1930 1 11 . 1 1 32 32 HIS H H 26 8.337 8.337 8.347 -0.010 17904 1931 1 11 . 1 1 33 33 LYS HA H 27 4.197 4.197 4.539 -0.342 17904 1932 1 11 . 1 1 33 33 LYS H H 27 7.722 7.722 7.947 -0.225 17904 1933 1 11 . 1 1 34 34 VAL HA H 28 3.969 3.969 3.887 0.082 17904 1934 1 11 . 1 1 34 34 VAL H H 28 7.175 7.175 8.387 -1.212 17904 1935 1 11 . 1 1 35 35 GLY H H 29 7.759 7.759 7.575 0.184 17904 1936 1 11 . 1 1 36 36 PRO HA H 30 3.538 3.538 3.868 -0.330 17904 1937 1 11 . 1 1 37 37 ASN HA H 31 3.932 3.932 4.731 -0.799 17904 1938 1 11 . 1 1 37 37 ASN H H 31 10.796 10.796 9.008 1.788 17904 1939 1 11 . 1 1 38 38 LEU HA H 32 3.935 3.935 4.037 -0.102 17904 1940 1 11 . 1 1 38 38 LEU H H 32 7.881 7.881 8.378 -0.497 17904 1941 1 11 . 1 1 39 39 HIS HA H 33 3.866 3.866 4.751 -0.885 17904 1942 1 11 . 1 1 39 39 HIS H H 33 7.395 7.395 8.517 -1.122 17904 1943 1 11 . 1 1 40 40 GLY H H 34 9.005 9.005 8.480 0.525 17904 1944 1 11 . 1 1 41 41 ILE HA H 35 3.968 3.968 3.839 0.129 17904 1945 1 11 . 1 1 41 41 ILE H H 35 7.217 7.217 7.818 -0.601 17904 1946 1 11 . 1 1 42 42 PHE HA H 36 4.306 4.306 4.647 -0.341 17904 1947 1 11 . 1 1 42 42 PHE H H 36 7.890 7.890 7.391 0.499 17904 1948 1 11 . 1 1 43 43 GLY H H 37 8.792 8.792 8.529 0.263 17904 1949 1 11 . 1 1 44 44 ARG HA H 38 4.851 4.851 4.559 0.292 17904 1950 1 11 . 1 1 44 44 ARG H H 38 7.974 7.974 8.064 -0.090 17904 1951 1 11 . 1 1 45 45 HIS HA H 39 5.616 5.616 4.232 1.384 17904 1952 1 11 . 1 1 45 45 HIS H H 39 7.894 7.894 8.550 -0.656 17904 1953 1 11 . 1 1 46 46 SER HA H 40 5.060 5.060 4.477 0.583 17904 1954 1 11 . 1 1 46 46 SER H H 40 8.779 8.779 8.556 0.223 17904 1955 1 11 . 1 1 47 47 GLY H H 41 8.279 8.279 8.656 -0.377 17904 1956 1 11 . 1 1 48 48 GLN HA H 42 4.659 4.659 4.402 0.257 17904 1957 1 11 . 1 1 48 48 GLN H H 42 8.725 8.725 8.160 0.565 17904 1958 1 11 . 1 1 49 49 ALA HA H 43 4.141 4.141 4.150 -0.009 17904 1959 1 11 . 1 1 49 49 ALA H H 43 8.725 8.725 8.502 0.223 17904 1960 1 11 . 1 1 50 50 GLU HA H 44 4.281 4.281 4.031 0.250 17904 1961 1 11 . 1 1 50 50 GLU H H 44 8.863 8.863 8.648 0.215 17904 1962 1 11 . 1 1 51 51 GLY H H 45 8.861 8.861 8.573 0.287 17904 1963 1 11 . 1 1 52 52 TYR HA H 46 4.031 4.031 4.391 -0.360 17904 1964 1 11 . 1 1 52 52 TYR H H 46 7.208 7.208 7.129 0.079 17904 1965 1 11 . 1 1 53 53 SER HA H 47 4.411 4.411 4.289 0.122 17904 1966 1 11 . 1 1 53 53 SER H H 47 7.047 7.047 7.636 -0.589 17904 1967 1 11 . 1 1 54 54 TYR HA H 48 5.260 5.260 4.680 0.580 17904 1968 1 11 . 1 1 54 54 TYR H H 48 8.290 8.290 8.288 0.002 17904 1969 1 11 . 1 1 55 55 THR HA H 49 4.521 4.521 4.235 0.286 17904 1970 1 11 . 1 1 55 55 THR H H 49 10.374 10.374 8.516 1.858 17904 1971 1 11 . 1 1 56 56 ASP HA H 50 4.131 4.131 4.288 -0.157 17904 1972 1 11 . 1 1 56 56 ASP H H 50 8.689 8.689 8.799 -0.110 17904 1973 1 11 . 1 1 57 57 ALA HA H 51 3.902 3.902 4.025 -0.123 17904 1974 1 11 . 1 1 57 57 ALA H H 51 7.709 7.709 8.421 -0.712 17904 1975 1 11 . 1 1 58 58 ASN HA H 52 4.141 4.141 4.476 -0.335 17904 1976 1 11 . 1 1 58 58 ASN H H 52 8.285 8.285 7.847 0.438 17904 1977 1 11 . 1 1 59 59 ILE HA H 53 3.354 3.354 3.713 -0.359 17904 1978 1 11 . 1 1 59 59 ILE H H 53 7.708 7.708 7.497 0.211 17904 1979 1 11 . 1 1 60 60 LYS HA H 54 3.874 3.874 3.991 -0.117 17904 1980 1 11 . 1 1 60 60 LYS H H 54 9.160 9.160 8.522 0.638 17904 1981 1 11 . 1 1 61 61 LYS HA H 55 3.834 3.834 4.192 -0.358 17904 1982 1 11 . 1 1 61 61 LYS H H 55 7.484 7.484 7.716 -0.232 17904 1983 1 11 . 1 1 62 62 ASN HA H 56 4.297 4.297 4.315 -0.018 17904 1984 1 11 . 1 1 62 62 ASN H H 56 7.052 7.052 7.878 -0.826 17904 1985 1 11 . 1 1 63 63 VAL HA H 57 3.708 3.708 4.242 -0.534 17904 1986 1 11 . 1 1 63 63 VAL H H 57 7.420 7.420 8.299 -0.879 17904 1987 1 11 . 1 1 64 64 LEU HA H 58 3.841 3.841 4.525 -0.684 17904 1988 1 11 . 1 1 64 64 LEU H H 58 8.346 8.346 8.108 0.238 17904 1989 1 11 . 1 1 65 65 TRP HA H 59 5.061 5.061 4.516 0.545 17904 1990 1 11 . 1 1 65 65 TRP H H 59 8.014 8.014 8.433 -0.419 17904 1991 1 11 . 1 1 66 66 ASP HA H 60 4.982 4.982 5.111 -0.129 17904 1992 1 11 . 1 1 66 66 ASP H H 60 9.639 9.639 8.301 1.338 17904 1993 1 11 . 1 1 67 67 GLU HA H 61 3.665 3.665 4.247 -0.582 17904 1994 1 11 . 1 1 67 67 GLU H H 61 10.320 10.320 8.954 1.366 17904 1995 1 11 . 1 1 68 68 ASN HA H 62 4.621 4.621 4.553 0.068 17904 1996 1 11 . 1 1 68 68 ASN H H 62 8.337 8.337 8.323 0.014 17904 1997 1 11 . 1 1 69 69 ASN HA H 63 4.569 4.569 4.575 -0.006 17904 1998 1 11 . 1 1 69 69 ASN H H 63 9.641 9.641 8.403 1.238 17904 1999 1 11 . 1 1 70 70 MET H H 64 9.001 9.001 8.769 0.232 17904 2000 1 11 . 1 1 71 71 SER HA H 65 3.915 3.915 4.162 -0.247 17904 2001 1 11 . 1 1 71 71 SER H H 65 7.867 7.867 8.115 -0.248 17904 2002 1 11 . 1 1 72 72 GLU HA H 66 3.840 3.840 4.308 -0.468 17904 2003 1 11 . 1 1 72 72 GLU H H 66 7.837 7.837 7.662 0.175 17904 2004 1 11 . 1 1 73 73 TYR HA H 67 3.869 3.869 4.607 -0.738 17904 2005 1 11 . 1 1 73 73 TYR H H 67 8.463 8.463 8.460 0.003 17904 2006 1 11 . 1 1 74 74 LEU HA H 68 3.377 3.377 3.664 -0.287 17904 2007 1 11 . 1 1 74 74 LEU H H 68 8.164 8.164 7.821 0.343 17904 2008 1 11 . 1 1 75 75 THR HA H 69 3.811 3.811 4.174 -0.363 17904 2009 1 11 . 1 1 75 75 THR H H 69 7.428 7.428 7.639 -0.211 17904 2010 1 11 . 1 1 76 76 ASN HA H 70 4.317 4.317 5.144 -0.827 17904 2011 1 11 . 1 1 76 76 ASN H H 70 6.486 6.486 8.687 -2.201 17904 2012 1 11 . 1 1 77 77 HIS HA H 71 4.215 4.215 4.844 -0.629 17904 2013 1 11 . 1 1 77 77 HIS H H 71 9.673 9.673 8.736 0.937 17904 2014 1 11 . 1 1 78 78 ALA HA H 72 3.898 3.898 4.514 -0.616 17904 2015 1 11 . 1 1 78 78 ALA H H 72 7.763 7.763 7.949 -0.186 17904 2016 1 11 . 1 1 79 79 LYS HA H 73 4.214 4.214 4.092 0.122 17904 2017 1 11 . 1 1 79 79 LYS H H 73 7.163 7.163 8.345 -1.182 17904 2018 1 11 . 1 1 80 80 TYR HA H 74 4.093 4.093 4.281 -0.188 17904 2019 1 11 . 1 1 80 80 TYR H H 74 7.351 7.351 7.992 -0.641 17904 2020 1 11 . 1 1 81 81 ILE HA H 75 4.103 4.103 4.272 -0.169 17904 2021 1 11 . 1 1 81 81 ILE H H 75 8.335 8.335 7.091 1.244 17904 2022 1 11 . 1 1 83 83 GLY H H 77 8.794 8.794 8.476 0.318 17904 2023 1 11 . 1 1 84 84 THR HA H 78 4.691 4.691 4.099 0.592 17904 2024 1 11 . 1 1 84 84 THR H H 78 8.171 8.171 7.595 0.576 17904 2025 1 11 . 1 1 85 85 LYS HA H 79 4.293 4.293 4.068 0.225 17904 2026 1 11 . 1 1 85 85 LYS H H 79 8.790 8.790 8.387 0.403 17904 2027 1 11 . 1 1 86 86 MET HA H 80 3.102 3.102 4.196 -1.094 17904 2028 1 11 . 1 1 86 86 MET H H 80 7.058 7.058 7.873 -0.815 17904 2029 1 11 . 1 1 87 87 ALA HA H 81 4.212 4.212 4.155 0.057 17904 2030 1 11 . 1 1 87 87 ALA H H 81 8.152 8.152 8.566 -0.414 17904 2031 1 11 . 1 1 88 88 PHE HA H 82 4.369 4.369 4.381 -0.012 17904 2032 1 11 . 1 1 88 88 PHE H H 82 6.361 6.361 7.944 -1.583 17904 2033 1 11 . 1 1 90 90 GLY H H 84 8.982 8.982 7.229 1.753 17904 2034 1 11 . 1 1 91 91 LEU H H 85 8.462 8.462 8.379 0.083 17904 2035 1 11 . 1 1 92 92 LYS HA H 86 3.968 3.968 4.016 -0.048 17904 2036 1 11 . 1 1 92 92 LYS H H 86 8.707 8.707 8.686 0.021 17904 2037 1 11 . 1 1 93 93 LYS HA H 87 4.791 4.791 4.498 0.293 17904 2038 1 11 . 1 1 93 93 LYS H H 87 8.984 8.984 7.971 1.013 17904 2039 1 11 . 1 1 94 94 GLU HA H 88 3.847 3.847 3.963 -0.116 17904 2040 1 11 . 1 1 94 94 GLU H H 88 9.115 9.115 9.097 0.018 17904 2041 1 11 . 1 1 95 95 LYS HA H 89 3.968 3.968 4.030 -0.062 17904 2042 1 11 . 1 1 95 95 LYS H H 89 8.809 8.809 8.271 0.538 17904 2043 1 11 . 1 1 96 96 ASP HA H 90 4.019 4.019 4.466 -0.447 17904 2044 1 11 . 1 1 96 96 ASP H H 90 6.540 6.540 7.838 -1.298 17904 2045 1 11 . 1 1 97 97 ARG HA H 91 3.937 3.937 3.955 -0.018 17904 2046 1 11 . 1 1 97 97 ARG H H 91 7.653 7.653 7.664 -0.011 17904 2047 1 11 . 1 1 98 98 ASN HA H 92 3.970 3.970 4.233 -0.263 17904 2048 1 11 . 1 1 98 98 ASN H H 92 8.843 8.843 7.841 1.002 17904 2049 1 11 . 1 1 99 99 ASP HA H 93 4.262 4.262 4.577 -0.315 17904 2050 1 11 . 1 1 99 99 ASP H H 93 8.850 8.850 7.611 1.239 17904 2051 1 11 . 1 1 100 100 LEU HA H 94 4.250 4.250 4.067 0.183 17904 2052 1 11 . 1 1 100 100 LEU H H 94 8.711 8.711 8.078 0.633 17904 2053 1 11 . 1 1 101 101 ILE HA H 95 3.653 3.653 3.569 0.084 17904 2054 1 11 . 1 1 101 101 ILE H H 95 9.304 9.304 8.503 0.801 17904 2055 1 11 . 1 1 102 102 THR HA H 96 3.890 3.890 4.038 -0.148 17904 2056 1 11 . 1 1 102 102 THR H H 96 8.346 8.346 7.622 0.724 17904 2057 1 11 . 1 1 103 103 TYR HA H 97 4.129 4.129 4.066 0.063 17904 2058 1 11 . 1 1 103 103 TYR H H 97 8.017 8.017 7.642 0.375 17904 2059 1 11 . 1 1 104 104 LEU HA H 98 3.360 3.360 3.651 -0.291 17904 2060 1 11 . 1 1 104 104 LEU H H 98 9.407 9.407 8.108 1.299 17904 2061 1 11 . 1 1 105 105 LYS HA H 99 3.492 3.492 3.461 0.031 17904 2062 1 11 . 1 1 105 105 LYS H H 99 8.846 8.846 7.650 1.196 17904 2063 1 11 . 1 1 106 106 LYS HA H 100 4.123 4.123 3.874 0.249 17904 2064 1 11 . 1 1 106 106 LYS H H 100 6.661 6.661 7.280 -0.619 17904 2065 1 11 . 1 1 107 107 ALA HA H 101 3.931 3.931 3.565 0.366 17904 2066 1 11 . 1 1 107 107 ALA H H 101 8.465 8.465 6.796 1.669 17904 2067 1 11 . 1 1 108 108 THR HA H 102 3.967 3.967 4.454 -0.487 17904 2068 1 11 . 1 1 108 108 THR H H 102 7.385 7.385 7.201 0.184 17904 2069 1 12 . 1 1 3 3 PHE HA H -3 4.481 4.481 4.783 -0.302 17904 2070 1 12 . 1 1 3 3 PHE H H -3 8.881 8.881 8.625 0.256 17904 2071 1 12 . 1 1 4 4 LYS HA H -2 3.873 3.873 4.207 -0.334 17904 2072 1 12 . 1 1 4 4 LYS H H -2 6.768 6.768 8.669 -1.901 17904 2073 1 12 . 1 1 8 8 SER HA H 2 4.840 4.840 4.822 0.018 17904 2074 1 12 . 1 1 8 8 SER H H 2 9.588 9.588 8.488 1.100 17904 2075 1 12 . 1 1 9 9 ALA HA H 3 4.033 4.033 4.329 -0.296 17904 2076 1 12 . 1 1 9 9 ALA H H 3 7.706 7.706 8.972 -1.266 17904 2077 1 12 . 1 1 10 10 LYS HA H 4 4.329 4.329 4.087 0.242 17904 2078 1 12 . 1 1 10 10 LYS H H 4 8.465 8.465 8.619 -0.154 17904 2079 1 12 . 1 1 11 11 LYS HA H 5 4.155 4.155 4.078 0.077 17904 2080 1 12 . 1 1 11 11 LYS H H 5 7.893 7.893 8.285 -0.392 17904 2081 1 12 . 1 1 12 12 GLY H H 6 8.906 8.906 7.867 1.039 17904 2082 1 12 . 1 1 13 13 ALA HA H 7 2.418 2.418 3.178 -0.760 17904 2083 1 12 . 1 1 13 13 ALA H H 7 8.157 8.157 8.439 -0.282 17904 2084 1 12 . 1 1 14 14 THR HA H 8 3.940 3.940 3.973 -0.033 17904 2085 1 12 . 1 1 14 14 THR H H 8 7.325 7.325 7.809 -0.484 17904 2086 1 12 . 1 1 15 15 LEU HA H 9 4.109 4.109 4.029 0.080 17904 2087 1 12 . 1 1 15 15 LEU H H 9 8.044 8.044 7.575 0.469 17904 2088 1 12 . 1 1 16 16 PHE HA H 10 4.048 4.048 4.024 0.024 17904 2089 1 12 . 1 1 16 16 PHE H H 10 8.956 8.956 8.729 0.227 17904 2090 1 12 . 1 1 17 17 LYS HA H 11 4.018 4.018 4.190 -0.172 17904 2091 1 12 . 1 1 17 17 LYS H H 11 8.433 8.433 8.638 -0.205 17904 2092 1 12 . 1 1 18 18 THR HA H 12 4.305 4.305 4.426 -0.121 17904 2093 1 12 . 1 1 18 18 THR H H 12 8.023 8.023 7.982 0.041 17904 2094 1 12 . 1 1 19 19 ARG HA H 13 5.317 5.317 4.563 0.754 17904 2095 1 12 . 1 1 19 19 ARG H H 13 8.745 8.745 7.488 1.257 17904 2096 1 12 . 1 1 20 20 CYS HA H 14 5.441 5.441 4.450 0.991 17904 2097 1 12 . 1 1 20 20 CYS H H 14 8.022 8.022 8.192 -0.170 17904 2098 1 12 . 1 1 21 21 LEU HA H 15 4.144 4.144 4.009 0.135 17904 2099 1 12 . 1 1 21 21 LEU H H 15 7.325 7.325 7.718 -0.393 17904 2100 1 12 . 1 1 22 22 GLN HA H 16 4.004 4.004 4.022 -0.018 17904 2101 1 12 . 1 1 22 22 GLN H H 16 9.109 9.109 8.254 0.855 17904 2102 1 12 . 1 1 23 23 CYS HA H 17 4.341 4.341 4.654 -0.313 17904 2103 1 12 . 1 1 23 23 CYS H H 17 7.154 7.154 7.762 -0.608 17904 2104 1 12 . 1 1 24 24 HIS HA H 18 3.530 3.530 4.645 -1.115 17904 2105 1 12 . 1 1 24 24 HIS H H 18 6.626 6.626 8.541 -1.915 17904 2106 1 12 . 1 1 25 25 THR HA H 19 4.514 4.514 4.129 0.385 17904 2107 1 12 . 1 1 25 25 THR H H 19 7.223 7.223 7.796 -0.573 17904 2108 1 12 . 1 1 26 26 VAL HA H 20 4.085 4.085 4.288 -0.203 17904 2109 1 12 . 1 1 26 26 VAL H H 20 8.015 8.015 8.739 -0.724 17904 2110 1 12 . 1 1 27 27 GLU HA H 21 4.158 4.158 4.210 -0.052 17904 2111 1 12 . 1 1 27 27 GLU H H 21 8.343 8.343 7.972 0.371 17904 2112 1 12 . 1 1 28 28 LYS HA H 22 3.149 3.149 3.700 -0.551 17904 2113 1 12 . 1 1 28 28 LYS H H 22 8.673 8.673 7.977 0.696 17904 2114 1 12 . 1 1 29 29 GLY H H 23 9.308 9.308 8.513 0.795 17904 2115 1 12 . 1 1 30 30 GLY H H 24 7.977 7.977 7.713 0.264 17904 2116 1 12 . 1 1 31 31 PRO HA H 25 4.131 4.131 4.282 -0.151 17904 2117 1 12 . 1 1 32 32 HIS HA H 26 4.261 4.261 4.224 0.037 17904 2118 1 12 . 1 1 32 32 HIS H H 26 8.337 8.337 8.432 -0.095 17904 2119 1 12 . 1 1 33 33 LYS HA H 27 4.197 4.197 3.966 0.231 17904 2120 1 12 . 1 1 33 33 LYS H H 27 7.722 7.722 7.924 -0.202 17904 2121 1 12 . 1 1 34 34 VAL HA H 28 3.969 3.969 4.023 -0.054 17904 2122 1 12 . 1 1 34 34 VAL H H 28 7.175 7.175 8.432 -1.257 17904 2123 1 12 . 1 1 35 35 GLY H H 29 7.759 7.759 7.683 0.076 17904 2124 1 12 . 1 1 36 36 PRO HA H 30 3.538 3.538 4.091 -0.553 17904 2125 1 12 . 1 1 37 37 ASN HA H 31 3.932 3.932 4.660 -0.728 17904 2126 1 12 . 1 1 37 37 ASN H H 31 10.796 10.796 8.978 1.818 17904 2127 1 12 . 1 1 38 38 LEU HA H 32 3.935 3.935 4.043 -0.108 17904 2128 1 12 . 1 1 38 38 LEU H H 32 7.881 7.881 8.461 -0.580 17904 2129 1 12 . 1 1 39 39 HIS HA H 33 3.866 3.866 4.765 -0.899 17904 2130 1 12 . 1 1 39 39 HIS H H 33 7.395 7.395 8.498 -1.103 17904 2131 1 12 . 1 1 40 40 GLY H H 34 9.005 9.005 8.566 0.439 17904 2132 1 12 . 1 1 41 41 ILE HA H 35 3.968 3.968 3.692 0.276 17904 2133 1 12 . 1 1 41 41 ILE H H 35 7.217 7.217 7.922 -0.705 17904 2134 1 12 . 1 1 42 42 PHE HA H 36 4.306 4.306 4.674 -0.368 17904 2135 1 12 . 1 1 42 42 PHE H H 36 7.890 7.890 7.682 0.208 17904 2136 1 12 . 1 1 43 43 GLY H H 37 8.792 8.792 8.577 0.215 17904 2137 1 12 . 1 1 44 44 ARG HA H 38 4.851 4.851 4.598 0.253 17904 2138 1 12 . 1 1 44 44 ARG H H 38 7.974 7.974 8.319 -0.345 17904 2139 1 12 . 1 1 45 45 HIS HA H 39 5.616 5.616 4.213 1.403 17904 2140 1 12 . 1 1 45 45 HIS H H 39 7.894 7.894 8.275 -0.381 17904 2141 1 12 . 1 1 46 46 SER HA H 40 5.060 5.060 4.408 0.652 17904 2142 1 12 . 1 1 46 46 SER H H 40 8.779 8.779 8.053 0.726 17904 2143 1 12 . 1 1 47 47 GLY H H 41 8.279 8.279 8.542 -0.263 17904 2144 1 12 . 1 1 48 48 GLN HA H 42 4.659 4.659 4.319 0.340 17904 2145 1 12 . 1 1 48 48 GLN H H 42 8.725 8.725 8.198 0.527 17904 2146 1 12 . 1 1 49 49 ALA HA H 43 4.141 4.141 4.474 -0.333 17904 2147 1 12 . 1 1 49 49 ALA H H 43 8.725 8.725 8.191 0.534 17904 2148 1 12 . 1 1 50 50 GLU HA H 44 4.281 4.281 4.106 0.175 17904 2149 1 12 . 1 1 50 50 GLU H H 44 8.863 8.863 9.133 -0.270 17904 2150 1 12 . 1 1 51 51 GLY H H 45 8.861 8.861 8.127 0.734 17904 2151 1 12 . 1 1 52 52 TYR HA H 46 4.031 4.031 4.047 -0.016 17904 2152 1 12 . 1 1 52 52 TYR H H 46 7.208 7.208 6.967 0.241 17904 2153 1 12 . 1 1 53 53 SER HA H 47 4.411 4.411 4.456 -0.045 17904 2154 1 12 . 1 1 53 53 SER H H 47 7.047 7.047 7.163 -0.116 17904 2155 1 12 . 1 1 54 54 TYR HA H 48 5.260 5.260 4.620 0.640 17904 2156 1 12 . 1 1 54 54 TYR H H 48 8.290 8.290 8.377 -0.087 17904 2157 1 12 . 1 1 55 55 THR HA H 49 4.521 4.521 4.172 0.349 17904 2158 1 12 . 1 1 55 55 THR H H 49 10.374 10.374 8.623 1.751 17904 2159 1 12 . 1 1 56 56 ASP HA H 50 4.131 4.131 4.247 -0.116 17904 2160 1 12 . 1 1 56 56 ASP H H 50 8.689 8.689 7.788 0.901 17904 2161 1 12 . 1 1 57 57 ALA HA H 51 3.902 3.902 4.070 -0.168 17904 2162 1 12 . 1 1 57 57 ALA H H 51 7.709 7.709 8.338 -0.629 17904 2163 1 12 . 1 1 58 58 ASN HA H 52 4.141 4.141 4.465 -0.324 17904 2164 1 12 . 1 1 58 58 ASN H H 52 8.285 8.285 8.775 -0.490 17904 2165 1 12 . 1 1 59 59 ILE HA H 53 3.354 3.354 3.833 -0.479 17904 2166 1 12 . 1 1 59 59 ILE H H 53 7.708 7.708 7.895 -0.187 17904 2167 1 12 . 1 1 60 60 LYS HA H 54 3.874 3.874 4.000 -0.126 17904 2168 1 12 . 1 1 60 60 LYS H H 54 9.160 9.160 8.249 0.911 17904 2169 1 12 . 1 1 61 61 LYS HA H 55 3.834 3.834 4.074 -0.240 17904 2170 1 12 . 1 1 61 61 LYS H H 55 7.484 7.484 7.547 -0.063 17904 2171 1 12 . 1 1 62 62 ASN HA H 56 4.297 4.297 4.150 0.147 17904 2172 1 12 . 1 1 62 62 ASN H H 56 7.052 7.052 7.881 -0.829 17904 2173 1 12 . 1 1 63 63 VAL HA H 57 3.708 3.708 4.244 -0.536 17904 2174 1 12 . 1 1 63 63 VAL H H 57 7.420 7.420 7.258 0.162 17904 2175 1 12 . 1 1 64 64 LEU HA H 58 3.841 3.841 4.544 -0.703 17904 2176 1 12 . 1 1 64 64 LEU H H 58 8.346 8.346 8.255 0.091 17904 2177 1 12 . 1 1 65 65 TRP HA H 59 5.061 5.061 4.503 0.558 17904 2178 1 12 . 1 1 65 65 TRP H H 59 8.014 8.014 8.426 -0.412 17904 2179 1 12 . 1 1 66 66 ASP HA H 60 4.982 4.982 5.127 -0.145 17904 2180 1 12 . 1 1 66 66 ASP H H 60 9.639 9.639 8.258 1.381 17904 2181 1 12 . 1 1 67 67 GLU HA H 61 3.665 3.665 4.110 -0.445 17904 2182 1 12 . 1 1 67 67 GLU H H 61 10.320 10.320 8.888 1.432 17904 2183 1 12 . 1 1 68 68 ASN HA H 62 4.621 4.621 4.512 0.109 17904 2184 1 12 . 1 1 68 68 ASN H H 62 8.337 8.337 8.462 -0.125 17904 2185 1 12 . 1 1 69 69 ASN HA H 63 4.569 4.569 4.591 -0.022 17904 2186 1 12 . 1 1 69 69 ASN H H 63 9.641 9.641 9.547 0.094 17904 2187 1 12 . 1 1 70 70 MET H H 64 9.001 9.001 8.563 0.438 17904 2188 1 12 . 1 1 71 71 SER HA H 65 3.915 3.915 4.084 -0.169 17904 2189 1 12 . 1 1 71 71 SER H H 65 7.867 7.867 7.853 0.014 17904 2190 1 12 . 1 1 72 72 GLU HA H 66 3.840 3.840 4.230 -0.390 17904 2191 1 12 . 1 1 72 72 GLU H H 66 7.837 7.837 7.735 0.102 17904 2192 1 12 . 1 1 73 73 TYR HA H 67 3.869 3.869 4.601 -0.732 17904 2193 1 12 . 1 1 73 73 TYR H H 67 8.463 8.463 8.114 0.349 17904 2194 1 12 . 1 1 74 74 LEU HA H 68 3.377 3.377 3.704 -0.327 17904 2195 1 12 . 1 1 74 74 LEU H H 68 8.164 8.164 7.925 0.239 17904 2196 1 12 . 1 1 75 75 THR HA H 69 3.811 3.811 4.126 -0.315 17904 2197 1 12 . 1 1 75 75 THR H H 69 7.428 7.428 8.029 -0.601 17904 2198 1 12 . 1 1 76 76 ASN HA H 70 4.317 4.317 4.970 -0.653 17904 2199 1 12 . 1 1 76 76 ASN H H 70 6.486 6.486 8.505 -2.019 17904 2200 1 12 . 1 1 77 77 HIS HA H 71 4.215 4.215 5.040 -0.825 17904 2201 1 12 . 1 1 77 77 HIS H H 71 9.673 9.673 8.090 1.583 17904 2202 1 12 . 1 1 78 78 ALA HA H 72 3.898 3.898 4.207 -0.309 17904 2203 1 12 . 1 1 78 78 ALA H H 72 7.763 7.763 8.405 -0.642 17904 2204 1 12 . 1 1 79 79 LYS HA H 73 4.214 4.214 4.129 0.085 17904 2205 1 12 . 1 1 79 79 LYS H H 73 7.163 7.163 8.520 -1.357 17904 2206 1 12 . 1 1 80 80 TYR HA H 74 4.093 4.093 4.279 -0.186 17904 2207 1 12 . 1 1 80 80 TYR H H 74 7.351 7.351 7.885 -0.534 17904 2208 1 12 . 1 1 81 81 ILE HA H 75 4.103 4.103 4.293 -0.190 17904 2209 1 12 . 1 1 81 81 ILE H H 75 8.335 8.335 7.151 1.184 17904 2210 1 12 . 1 1 83 83 GLY H H 77 8.794 8.794 8.704 0.090 17904 2211 1 12 . 1 1 84 84 THR HA H 78 4.691 4.691 4.174 0.517 17904 2212 1 12 . 1 1 84 84 THR H H 78 8.171 8.171 7.827 0.344 17904 2213 1 12 . 1 1 85 85 LYS HA H 79 4.293 4.293 4.624 -0.331 17904 2214 1 12 . 1 1 85 85 LYS H H 79 8.790 8.790 8.412 0.378 17904 2215 1 12 . 1 1 86 86 MET HA H 80 3.102 3.102 4.767 -1.665 17904 2216 1 12 . 1 1 86 86 MET H H 80 7.058 7.058 8.813 -1.755 17904 2217 1 12 . 1 1 87 87 ALA HA H 81 4.212 4.212 4.195 0.017 17904 2218 1 12 . 1 1 87 87 ALA H H 81 8.152 8.152 8.713 -0.561 17904 2219 1 12 . 1 1 88 88 PHE HA H 82 4.369 4.369 4.102 0.267 17904 2220 1 12 . 1 1 88 88 PHE H H 82 6.361 6.361 7.970 -1.609 17904 2221 1 12 . 1 1 90 90 GLY H H 84 8.982 8.982 8.060 0.922 17904 2222 1 12 . 1 1 91 91 LEU H H 85 8.462 8.462 8.493 -0.031 17904 2223 1 12 . 1 1 92 92 LYS HA H 86 3.968 3.968 4.066 -0.098 17904 2224 1 12 . 1 1 92 92 LYS H H 86 8.707 8.707 8.421 0.286 17904 2225 1 12 . 1 1 93 93 LYS HA H 87 4.791 4.791 4.425 0.366 17904 2226 1 12 . 1 1 93 93 LYS H H 87 8.984 8.984 8.018 0.966 17904 2227 1 12 . 1 1 94 94 GLU HA H 88 3.847 3.847 3.955 -0.108 17904 2228 1 12 . 1 1 94 94 GLU H H 88 9.115 9.115 8.584 0.531 17904 2229 1 12 . 1 1 95 95 LYS HA H 89 3.968 3.968 4.065 -0.097 17904 2230 1 12 . 1 1 95 95 LYS H H 89 8.809 8.809 8.524 0.285 17904 2231 1 12 . 1 1 96 96 ASP HA H 90 4.019 4.019 4.477 -0.458 17904 2232 1 12 . 1 1 96 96 ASP H H 90 6.540 6.540 8.372 -1.832 17904 2233 1 12 . 1 1 97 97 ARG HA H 91 3.937 3.937 3.992 -0.055 17904 2234 1 12 . 1 1 97 97 ARG H H 91 7.653 7.653 7.873 -0.220 17904 2235 1 12 . 1 1 98 98 ASN HA H 92 3.970 3.970 4.523 -0.553 17904 2236 1 12 . 1 1 98 98 ASN H H 92 8.843 8.843 8.197 0.646 17904 2237 1 12 . 1 1 99 99 ASP HA H 93 4.262 4.262 4.536 -0.274 17904 2238 1 12 . 1 1 99 99 ASP H H 93 8.850 8.850 7.681 1.169 17904 2239 1 12 . 1 1 100 100 LEU HA H 94 4.250 4.250 4.043 0.207 17904 2240 1 12 . 1 1 100 100 LEU H H 94 8.711 8.711 7.245 1.466 17904 2241 1 12 . 1 1 101 101 ILE HA H 95 3.653 3.653 3.467 0.186 17904 2242 1 12 . 1 1 101 101 ILE H H 95 9.304 9.304 7.118 2.186 17904 2243 1 12 . 1 1 102 102 THR HA H 96 3.890 3.890 4.074 -0.184 17904 2244 1 12 . 1 1 102 102 THR H H 96 8.346 8.346 7.728 0.618 17904 2245 1 12 . 1 1 103 103 TYR HA H 97 4.129 4.129 4.046 0.083 17904 2246 1 12 . 1 1 103 103 TYR H H 97 8.017 8.017 7.978 0.039 17904 2247 1 12 . 1 1 104 104 LEU HA H 98 3.360 3.360 3.840 -0.480 17904 2248 1 12 . 1 1 104 104 LEU H H 98 9.407 9.407 8.294 1.113 17904 2249 1 12 . 1 1 105 105 LYS HA H 99 3.492 3.492 3.390 0.102 17904 2250 1 12 . 1 1 105 105 LYS H H 99 8.846 8.846 7.384 1.462 17904 2251 1 12 . 1 1 106 106 LYS HA H 100 4.123 4.123 3.868 0.255 17904 2252 1 12 . 1 1 106 106 LYS H H 100 6.661 6.661 7.248 -0.587 17904 2253 1 12 . 1 1 107 107 ALA HA H 101 3.931 3.931 3.708 0.223 17904 2254 1 12 . 1 1 107 107 ALA H H 101 8.465 8.465 6.938 1.527 17904 2255 1 12 . 1 1 108 108 THR HA H 102 3.967 3.967 4.182 -0.215 17904 2256 1 12 . 1 1 108 108 THR H H 102 7.385 7.385 7.375 0.010 17904 2257 1 13 . 1 1 3 3 PHE HA H -3 4.481 4.481 4.806 -0.325 17904 2258 1 13 . 1 1 3 3 PHE H H -3 8.881 8.881 8.478 0.403 17904 2259 1 13 . 1 1 4 4 LYS HA H -2 3.873 3.873 4.204 -0.331 17904 2260 1 13 . 1 1 4 4 LYS H H -2 6.768 6.768 8.695 -1.927 17904 2261 1 13 . 1 1 8 8 SER HA H 2 4.840 4.840 4.758 0.082 17904 2262 1 13 . 1 1 8 8 SER H H 2 9.588 9.588 8.374 1.214 17904 2263 1 13 . 1 1 9 9 ALA HA H 3 4.033 4.033 4.317 -0.284 17904 2264 1 13 . 1 1 9 9 ALA H H 3 7.706 7.706 9.015 -1.309 17904 2265 1 13 . 1 1 10 10 LYS HA H 4 4.329 4.329 4.016 0.313 17904 2266 1 13 . 1 1 10 10 LYS H H 4 8.465 8.465 7.983 0.482 17904 2267 1 13 . 1 1 11 11 LYS HA H 5 4.155 4.155 4.068 0.087 17904 2268 1 13 . 1 1 11 11 LYS H H 5 7.893 7.893 7.796 0.097 17904 2269 1 13 . 1 1 12 12 GLY H H 6 8.906 8.906 7.797 1.109 17904 2270 1 13 . 1 1 13 13 ALA HA H 7 2.418 2.418 3.065 -0.647 17904 2271 1 13 . 1 1 13 13 ALA H H 7 8.157 8.157 8.405 -0.248 17904 2272 1 13 . 1 1 14 14 THR HA H 8 3.940 3.940 3.921 0.019 17904 2273 1 13 . 1 1 14 14 THR H H 8 7.325 7.325 7.733 -0.408 17904 2274 1 13 . 1 1 15 15 LEU HA H 9 4.109 4.109 4.103 0.006 17904 2275 1 13 . 1 1 15 15 LEU H H 9 8.044 8.044 7.609 0.435 17904 2276 1 13 . 1 1 16 16 PHE HA H 10 4.048 4.048 3.973 0.075 17904 2277 1 13 . 1 1 16 16 PHE H H 10 8.956 8.956 8.576 0.380 17904 2278 1 13 . 1 1 17 17 LYS HA H 11 4.018 4.018 4.035 -0.017 17904 2279 1 13 . 1 1 17 17 LYS H H 11 8.433 8.433 8.602 -0.169 17904 2280 1 13 . 1 1 18 18 THR HA H 12 4.305 4.305 4.255 0.050 17904 2281 1 13 . 1 1 18 18 THR H H 12 8.023 8.023 8.041 -0.018 17904 2282 1 13 . 1 1 19 19 ARG HA H 13 5.317 5.317 4.599 0.718 17904 2283 1 13 . 1 1 19 19 ARG H H 13 8.745 8.745 7.532 1.213 17904 2284 1 13 . 1 1 20 20 CYS HA H 14 5.441 5.441 4.286 1.155 17904 2285 1 13 . 1 1 20 20 CYS H H 14 8.022 8.022 8.600 -0.578 17904 2286 1 13 . 1 1 21 21 LEU HA H 15 4.144 4.144 4.183 -0.039 17904 2287 1 13 . 1 1 21 21 LEU H H 15 7.325 7.325 7.782 -0.457 17904 2288 1 13 . 1 1 22 22 GLN HA H 16 4.004 4.004 4.037 -0.033 17904 2289 1 13 . 1 1 22 22 GLN H H 16 9.109 9.109 8.383 0.726 17904 2290 1 13 . 1 1 23 23 CYS HA H 17 4.341 4.341 4.465 -0.124 17904 2291 1 13 . 1 1 23 23 CYS H H 17 7.154 7.154 7.431 -0.277 17904 2292 1 13 . 1 1 24 24 HIS HA H 18 3.530 3.530 4.699 -1.169 17904 2293 1 13 . 1 1 24 24 HIS H H 18 6.626 6.626 8.177 -1.551 17904 2294 1 13 . 1 1 25 25 THR HA H 19 4.514 4.514 4.046 0.468 17904 2295 1 13 . 1 1 25 25 THR H H 19 7.223 7.223 8.426 -1.203 17904 2296 1 13 . 1 1 26 26 VAL HA H 20 4.085 4.085 3.770 0.315 17904 2297 1 13 . 1 1 26 26 VAL H H 20 8.015 8.015 8.166 -0.151 17904 2298 1 13 . 1 1 27 27 GLU HA H 21 4.158 4.158 4.349 -0.191 17904 2299 1 13 . 1 1 27 27 GLU H H 21 8.343 8.343 7.822 0.521 17904 2300 1 13 . 1 1 28 28 LYS HA H 22 3.149 3.149 3.583 -0.434 17904 2301 1 13 . 1 1 28 28 LYS H H 22 8.673 8.673 8.007 0.666 17904 2302 1 13 . 1 1 29 29 GLY H H 23 9.308 9.308 8.743 0.565 17904 2303 1 13 . 1 1 30 30 GLY H H 24 7.977 7.977 8.136 -0.159 17904 2304 1 13 . 1 1 31 31 PRO HA H 25 4.131 4.131 4.134 -0.003 17904 2305 1 13 . 1 1 32 32 HIS HA H 26 4.261 4.261 4.676 -0.415 17904 2306 1 13 . 1 1 32 32 HIS H H 26 8.337 8.337 8.509 -0.172 17904 2307 1 13 . 1 1 33 33 LYS HA H 27 4.197 4.197 4.544 -0.347 17904 2308 1 13 . 1 1 33 33 LYS H H 27 7.722 7.722 7.851 -0.129 17904 2309 1 13 . 1 1 34 34 VAL HA H 28 3.969 3.969 3.949 0.020 17904 2310 1 13 . 1 1 34 34 VAL H H 28 7.175 7.175 8.457 -1.282 17904 2311 1 13 . 1 1 35 35 GLY H H 29 7.759 7.759 7.561 0.198 17904 2312 1 13 . 1 1 36 36 PRO HA H 30 3.538 3.538 4.007 -0.469 17904 2313 1 13 . 1 1 37 37 ASN HA H 31 3.932 3.932 4.422 -0.490 17904 2314 1 13 . 1 1 37 37 ASN H H 31 10.796 10.796 8.776 2.020 17904 2315 1 13 . 1 1 38 38 LEU HA H 32 3.935 3.935 4.009 -0.074 17904 2316 1 13 . 1 1 38 38 LEU H H 32 7.881 7.881 8.461 -0.580 17904 2317 1 13 . 1 1 39 39 HIS HA H 33 3.866 3.866 4.771 -0.905 17904 2318 1 13 . 1 1 39 39 HIS H H 33 7.395 7.395 8.276 -0.881 17904 2319 1 13 . 1 1 40 40 GLY H H 34 9.005 9.005 8.444 0.560 17904 2320 1 13 . 1 1 41 41 ILE HA H 35 3.968 3.968 3.725 0.243 17904 2321 1 13 . 1 1 41 41 ILE H H 35 7.217 7.217 7.933 -0.716 17904 2322 1 13 . 1 1 42 42 PHE HA H 36 4.306 4.306 4.627 -0.321 17904 2323 1 13 . 1 1 42 42 PHE H H 36 7.890 7.890 7.777 0.113 17904 2324 1 13 . 1 1 43 43 GLY H H 37 8.792 8.792 8.215 0.577 17904 2325 1 13 . 1 1 44 44 ARG HA H 38 4.851 4.851 3.899 0.952 17904 2326 1 13 . 1 1 44 44 ARG H H 38 7.974 7.974 8.526 -0.552 17904 2327 1 13 . 1 1 45 45 HIS HA H 39 5.616 5.616 4.486 1.130 17904 2328 1 13 . 1 1 45 45 HIS H H 39 7.894 7.894 8.264 -0.370 17904 2329 1 13 . 1 1 46 46 SER HA H 40 5.060 5.060 4.541 0.519 17904 2330 1 13 . 1 1 46 46 SER H H 40 8.779 8.779 7.979 0.800 17904 2331 1 13 . 1 1 47 47 GLY H H 41 8.279 8.279 8.376 -0.097 17904 2332 1 13 . 1 1 48 48 GLN HA H 42 4.659 4.659 4.383 0.276 17904 2333 1 13 . 1 1 48 48 GLN H H 42 8.725 8.725 8.243 0.482 17904 2334 1 13 . 1 1 49 49 ALA HA H 43 4.141 4.141 4.455 -0.314 17904 2335 1 13 . 1 1 49 49 ALA H H 43 8.725 8.725 7.977 0.748 17904 2336 1 13 . 1 1 50 50 GLU HA H 44 4.281 4.281 4.127 0.154 17904 2337 1 13 . 1 1 50 50 GLU H H 44 8.863 8.863 9.045 -0.182 17904 2338 1 13 . 1 1 51 51 GLY H H 45 8.861 8.861 8.011 0.850 17904 2339 1 13 . 1 1 52 52 TYR HA H 46 4.031 4.031 4.056 -0.025 17904 2340 1 13 . 1 1 52 52 TYR H H 46 7.208 7.208 6.638 0.570 17904 2341 1 13 . 1 1 53 53 SER HA H 47 4.411 4.411 4.472 -0.061 17904 2342 1 13 . 1 1 53 53 SER H H 47 7.047 7.047 7.126 -0.079 17904 2343 1 13 . 1 1 54 54 TYR HA H 48 5.260 5.260 4.702 0.558 17904 2344 1 13 . 1 1 54 54 TYR H H 48 8.290 8.290 8.499 -0.209 17904 2345 1 13 . 1 1 55 55 THR HA H 49 4.521 4.521 4.263 0.258 17904 2346 1 13 . 1 1 55 55 THR H H 49 10.374 10.374 8.360 2.014 17904 2347 1 13 . 1 1 56 56 ASP HA H 50 4.131 4.131 4.327 -0.196 17904 2348 1 13 . 1 1 56 56 ASP H H 50 8.689 8.689 8.860 -0.171 17904 2349 1 13 . 1 1 57 57 ALA HA H 51 3.902 3.902 4.048 -0.146 17904 2350 1 13 . 1 1 57 57 ALA H H 51 7.709 7.709 8.397 -0.688 17904 2351 1 13 . 1 1 58 58 ASN HA H 52 4.141 4.141 4.500 -0.359 17904 2352 1 13 . 1 1 58 58 ASN H H 52 8.285 8.285 7.810 0.475 17904 2353 1 13 . 1 1 59 59 ILE HA H 53 3.354 3.354 3.742 -0.388 17904 2354 1 13 . 1 1 59 59 ILE H H 53 7.708 7.708 7.634 0.074 17904 2355 1 13 . 1 1 60 60 LYS HA H 54 3.874 3.874 4.011 -0.137 17904 2356 1 13 . 1 1 60 60 LYS H H 54 9.160 9.160 8.572 0.588 17904 2357 1 13 . 1 1 61 61 LYS HA H 55 3.834 3.834 4.088 -0.254 17904 2358 1 13 . 1 1 61 61 LYS H H 55 7.484 7.484 7.748 -0.264 17904 2359 1 13 . 1 1 62 62 ASN HA H 56 4.297 4.297 4.242 0.055 17904 2360 1 13 . 1 1 62 62 ASN H H 56 7.052 7.052 7.933 -0.881 17904 2361 1 13 . 1 1 63 63 VAL HA H 57 3.708 3.708 4.176 -0.468 17904 2362 1 13 . 1 1 63 63 VAL H H 57 7.420 7.420 7.309 0.111 17904 2363 1 13 . 1 1 64 64 LEU HA H 58 3.841 3.841 4.531 -0.690 17904 2364 1 13 . 1 1 64 64 LEU H H 58 8.346 8.346 8.093 0.253 17904 2365 1 13 . 1 1 65 65 TRP HA H 59 5.061 5.061 4.524 0.537 17904 2366 1 13 . 1 1 65 65 TRP H H 59 8.014 8.014 8.331 -0.317 17904 2367 1 13 . 1 1 66 66 ASP HA H 60 4.982 4.982 5.089 -0.107 17904 2368 1 13 . 1 1 66 66 ASP H H 60 9.639 9.639 8.433 1.206 17904 2369 1 13 . 1 1 67 67 GLU HA H 61 3.665 3.665 4.233 -0.568 17904 2370 1 13 . 1 1 67 67 GLU H H 61 10.320 10.320 8.935 1.385 17904 2371 1 13 . 1 1 68 68 ASN HA H 62 4.621 4.621 4.574 0.047 17904 2372 1 13 . 1 1 68 68 ASN H H 62 8.337 8.337 8.730 -0.393 17904 2373 1 13 . 1 1 69 69 ASN HA H 63 4.569 4.569 4.607 -0.038 17904 2374 1 13 . 1 1 69 69 ASN H H 63 9.641 9.641 8.244 1.397 17904 2375 1 13 . 1 1 70 70 MET H H 64 9.001 9.001 8.588 0.413 17904 2376 1 13 . 1 1 71 71 SER HA H 65 3.915 3.915 4.036 -0.121 17904 2377 1 13 . 1 1 71 71 SER H H 65 7.867 7.867 7.883 -0.016 17904 2378 1 13 . 1 1 72 72 GLU HA H 66 3.840 3.840 4.263 -0.423 17904 2379 1 13 . 1 1 72 72 GLU H H 66 7.837 7.837 7.659 0.178 17904 2380 1 13 . 1 1 73 73 TYR HA H 67 3.869 3.869 2.782 1.087 17904 2381 1 13 . 1 1 73 73 TYR H H 67 8.463 8.463 8.138 0.325 17904 2382 1 13 . 1 1 74 74 LEU HA H 68 3.377 3.377 3.812 -0.435 17904 2383 1 13 . 1 1 74 74 LEU H H 68 8.164 8.164 7.487 0.677 17904 2384 1 13 . 1 1 75 75 THR HA H 69 3.811 3.811 4.029 -0.218 17904 2385 1 13 . 1 1 75 75 THR H H 69 7.428 7.428 7.729 -0.301 17904 2386 1 13 . 1 1 76 76 ASN HA H 70 4.317 4.317 4.882 -0.565 17904 2387 1 13 . 1 1 76 76 ASN H H 70 6.486 6.486 7.850 -1.364 17904 2388 1 13 . 1 1 77 77 HIS HA H 71 4.215 4.215 5.124 -0.909 17904 2389 1 13 . 1 1 77 77 HIS H H 71 9.673 9.673 8.716 0.957 17904 2390 1 13 . 1 1 78 78 ALA HA H 72 3.898 3.898 4.386 -0.488 17904 2391 1 13 . 1 1 78 78 ALA H H 72 7.763 7.763 8.542 -0.779 17904 2392 1 13 . 1 1 79 79 LYS HA H 73 4.214 4.214 4.085 0.129 17904 2393 1 13 . 1 1 79 79 LYS H H 73 7.163 7.163 8.422 -1.259 17904 2394 1 13 . 1 1 80 80 TYR HA H 74 4.093 4.093 4.272 -0.179 17904 2395 1 13 . 1 1 80 80 TYR H H 74 7.351 7.351 7.986 -0.635 17904 2396 1 13 . 1 1 81 81 ILE HA H 75 4.103 4.103 4.122 -0.019 17904 2397 1 13 . 1 1 81 81 ILE H H 75 8.335 8.335 7.275 1.060 17904 2398 1 13 . 1 1 83 83 GLY H H 77 8.794 8.794 8.705 0.089 17904 2399 1 13 . 1 1 84 84 THR HA H 78 4.691 4.691 3.958 0.733 17904 2400 1 13 . 1 1 84 84 THR H H 78 8.171 8.171 7.741 0.430 17904 2401 1 13 . 1 1 85 85 LYS HA H 79 4.293 4.293 3.996 0.297 17904 2402 1 13 . 1 1 85 85 LYS H H 79 8.790 8.790 8.247 0.543 17904 2403 1 13 . 1 1 86 86 MET HA H 80 3.102 3.102 4.671 -1.569 17904 2404 1 13 . 1 1 86 86 MET H H 80 7.058 7.058 8.348 -1.290 17904 2405 1 13 . 1 1 87 87 ALA HA H 81 4.212 4.212 4.125 0.087 17904 2406 1 13 . 1 1 87 87 ALA H H 81 8.152 8.152 8.750 -0.598 17904 2407 1 13 . 1 1 88 88 PHE HA H 82 4.369 4.369 4.070 0.299 17904 2408 1 13 . 1 1 88 88 PHE H H 82 6.361 6.361 8.054 -1.693 17904 2409 1 13 . 1 1 90 90 GLY H H 84 8.982 8.982 7.969 1.013 17904 2410 1 13 . 1 1 91 91 LEU H H 85 8.462 8.462 8.380 0.082 17904 2411 1 13 . 1 1 92 92 LYS HA H 86 3.968 3.968 4.026 -0.058 17904 2412 1 13 . 1 1 92 92 LYS H H 86 8.707 8.707 8.667 0.040 17904 2413 1 13 . 1 1 93 93 LYS HA H 87 4.791 4.791 4.433 0.358 17904 2414 1 13 . 1 1 93 93 LYS H H 87 8.984 8.984 8.027 0.957 17904 2415 1 13 . 1 1 94 94 GLU HA H 88 3.847 3.847 3.946 -0.099 17904 2416 1 13 . 1 1 94 94 GLU H H 88 9.115 9.115 8.640 0.475 17904 2417 1 13 . 1 1 95 95 LYS HA H 89 3.968 3.968 4.028 -0.060 17904 2418 1 13 . 1 1 95 95 LYS H H 89 8.809 8.809 8.487 0.322 17904 2419 1 13 . 1 1 96 96 ASP HA H 90 4.019 4.019 4.438 -0.419 17904 2420 1 13 . 1 1 96 96 ASP H H 90 6.540 6.540 8.435 -1.895 17904 2421 1 13 . 1 1 97 97 ARG HA H 91 3.937 3.937 3.925 0.012 17904 2422 1 13 . 1 1 97 97 ARG H H 91 7.653 7.653 7.942 -0.289 17904 2423 1 13 . 1 1 98 98 ASN HA H 92 3.970 3.970 4.480 -0.510 17904 2424 1 13 . 1 1 98 98 ASN H H 92 8.843 8.843 7.940 0.903 17904 2425 1 13 . 1 1 99 99 ASP HA H 93 4.262 4.262 4.529 -0.267 17904 2426 1 13 . 1 1 99 99 ASP H H 93 8.850 8.850 7.554 1.296 17904 2427 1 13 . 1 1 100 100 LEU HA H 94 4.250 4.250 4.048 0.202 17904 2428 1 13 . 1 1 100 100 LEU H H 94 8.711 8.711 7.950 0.761 17904 2429 1 13 . 1 1 101 101 ILE HA H 95 3.653 3.653 3.433 0.220 17904 2430 1 13 . 1 1 101 101 ILE H H 95 9.304 9.304 7.632 1.672 17904 2431 1 13 . 1 1 102 102 THR HA H 96 3.890 3.890 4.143 -0.253 17904 2432 1 13 . 1 1 102 102 THR H H 96 8.346 8.346 7.662 0.684 17904 2433 1 13 . 1 1 103 103 TYR HA H 97 4.129 4.129 4.072 0.057 17904 2434 1 13 . 1 1 103 103 TYR H H 97 8.017 8.017 7.569 0.448 17904 2435 1 13 . 1 1 104 104 LEU HA H 98 3.360 3.360 3.659 -0.299 17904 2436 1 13 . 1 1 104 104 LEU H H 98 9.407 9.407 7.666 1.741 17904 2437 1 13 . 1 1 105 105 LYS HA H 99 3.492 3.492 3.360 0.132 17904 2438 1 13 . 1 1 105 105 LYS H H 99 8.846 8.846 7.541 1.305 17904 2439 1 13 . 1 1 106 106 LYS HA H 100 4.123 4.123 3.920 0.203 17904 2440 1 13 . 1 1 106 106 LYS H H 100 6.661 6.661 7.124 -0.463 17904 2441 1 13 . 1 1 107 107 ALA HA H 101 3.931 3.931 4.113 -0.182 17904 2442 1 13 . 1 1 107 107 ALA H H 101 8.465 8.465 7.463 1.002 17904 2443 1 13 . 1 1 108 108 THR HA H 102 3.967 3.967 4.411 -0.444 17904 2444 1 13 . 1 1 108 108 THR H H 102 7.385 7.385 7.297 0.088 17904 2445 1 14 . 1 1 3 3 PHE HA H -3 4.481 4.481 4.638 -0.157 17904 2446 1 14 . 1 1 3 3 PHE H H -3 8.881 8.881 7.995 0.886 17904 2447 1 14 . 1 1 4 4 LYS HA H -2 3.873 3.873 4.212 -0.339 17904 2448 1 14 . 1 1 4 4 LYS H H -2 6.768 6.768 8.685 -1.917 17904 2449 1 14 . 1 1 8 8 SER HA H 2 4.840 4.840 4.771 0.069 17904 2450 1 14 . 1 1 8 8 SER H H 2 9.588 9.588 8.369 1.219 17904 2451 1 14 . 1 1 9 9 ALA HA H 3 4.033 4.033 4.303 -0.270 17904 2452 1 14 . 1 1 9 9 ALA H H 3 7.706 7.706 8.984 -1.278 17904 2453 1 14 . 1 1 10 10 LYS HA H 4 4.329 4.329 4.088 0.241 17904 2454 1 14 . 1 1 10 10 LYS H H 4 8.465 8.465 8.597 -0.132 17904 2455 1 14 . 1 1 11 11 LYS HA H 5 4.155 4.155 4.044 0.111 17904 2456 1 14 . 1 1 11 11 LYS H H 5 7.893 7.893 8.284 -0.391 17904 2457 1 14 . 1 1 12 12 GLY H H 6 8.906 8.906 7.881 1.025 17904 2458 1 14 . 1 1 13 13 ALA HA H 7 2.418 2.418 3.348 -0.930 17904 2459 1 14 . 1 1 13 13 ALA H H 7 8.157 8.157 8.350 -0.193 17904 2460 1 14 . 1 1 14 14 THR HA H 8 3.940 3.940 3.948 -0.008 17904 2461 1 14 . 1 1 14 14 THR H H 8 7.325 7.325 7.566 -0.241 17904 2462 1 14 . 1 1 15 15 LEU HA H 9 4.109 4.109 4.148 -0.039 17904 2463 1 14 . 1 1 15 15 LEU H H 9 8.044 8.044 7.426 0.618 17904 2464 1 14 . 1 1 16 16 PHE HA H 10 4.048 4.048 3.969 0.079 17904 2465 1 14 . 1 1 16 16 PHE H H 10 8.956 8.956 8.497 0.459 17904 2466 1 14 . 1 1 17 17 LYS HA H 11 4.018 4.018 3.999 0.019 17904 2467 1 14 . 1 1 17 17 LYS H H 11 8.433 8.433 8.714 -0.281 17904 2468 1 14 . 1 1 18 18 THR HA H 12 4.305 4.305 4.227 0.078 17904 2469 1 14 . 1 1 18 18 THR H H 12 8.023 8.023 7.960 0.063 17904 2470 1 14 . 1 1 19 19 ARG HA H 13 5.317 5.317 4.604 0.713 17904 2471 1 14 . 1 1 19 19 ARG H H 13 8.745 8.745 7.582 1.163 17904 2472 1 14 . 1 1 20 20 CYS HA H 14 5.441 5.441 4.312 1.129 17904 2473 1 14 . 1 1 20 20 CYS H H 14 8.022 8.022 8.507 -0.485 17904 2474 1 14 . 1 1 21 21 LEU HA H 15 4.144 4.144 4.190 -0.046 17904 2475 1 14 . 1 1 21 21 LEU H H 15 7.325 7.325 7.904 -0.579 17904 2476 1 14 . 1 1 22 22 GLN HA H 16 4.004 4.004 4.135 -0.131 17904 2477 1 14 . 1 1 22 22 GLN H H 16 9.109 9.109 8.180 0.929 17904 2478 1 14 . 1 1 23 23 CYS HA H 17 4.341 4.341 4.581 -0.240 17904 2479 1 14 . 1 1 23 23 CYS H H 17 7.154 7.154 7.498 -0.344 17904 2480 1 14 . 1 1 24 24 HIS HA H 18 3.530 3.530 4.828 -1.298 17904 2481 1 14 . 1 1 24 24 HIS H H 18 6.626 6.626 8.043 -1.417 17904 2482 1 14 . 1 1 25 25 THR HA H 19 4.514 4.514 4.526 -0.012 17904 2483 1 14 . 1 1 25 25 THR H H 19 7.223 7.223 8.571 -1.348 17904 2484 1 14 . 1 1 26 26 VAL HA H 20 4.085 4.085 4.339 -0.254 17904 2485 1 14 . 1 1 26 26 VAL H H 20 8.015 8.015 8.716 -0.701 17904 2486 1 14 . 1 1 27 27 GLU HA H 21 4.158 4.158 4.304 -0.146 17904 2487 1 14 . 1 1 27 27 GLU H H 21 8.343 8.343 8.122 0.221 17904 2488 1 14 . 1 1 28 28 LYS HA H 22 3.149 3.149 3.565 -0.416 17904 2489 1 14 . 1 1 28 28 LYS H H 22 8.673 8.673 7.847 0.826 17904 2490 1 14 . 1 1 29 29 GLY H H 23 9.308 9.308 8.063 1.245 17904 2491 1 14 . 1 1 30 30 GLY H H 24 7.977 7.977 7.918 0.059 17904 2492 1 14 . 1 1 31 31 PRO HA H 25 4.131 4.131 4.251 -0.120 17904 2493 1 14 . 1 1 32 32 HIS HA H 26 4.261 4.261 4.651 -0.390 17904 2494 1 14 . 1 1 32 32 HIS H H 26 8.337 8.337 8.548 -0.211 17904 2495 1 14 . 1 1 33 33 LYS HA H 27 4.197 4.197 4.498 -0.301 17904 2496 1 14 . 1 1 33 33 LYS H H 27 7.722 7.722 7.959 -0.237 17904 2497 1 14 . 1 1 34 34 VAL HA H 28 3.969 3.969 3.917 0.052 17904 2498 1 14 . 1 1 34 34 VAL H H 28 7.175 7.175 8.383 -1.208 17904 2499 1 14 . 1 1 35 35 GLY H H 29 7.759 7.759 7.389 0.370 17904 2500 1 14 . 1 1 36 36 PRO HA H 30 3.538 3.538 4.065 -0.527 17904 2501 1 14 . 1 1 37 37 ASN HA H 31 3.932 3.932 4.495 -0.563 17904 2502 1 14 . 1 1 37 37 ASN H H 31 10.796 10.796 8.903 1.893 17904 2503 1 14 . 1 1 38 38 LEU HA H 32 3.935 3.935 4.017 -0.082 17904 2504 1 14 . 1 1 38 38 LEU H H 32 7.881 7.881 8.491 -0.610 17904 2505 1 14 . 1 1 39 39 HIS HA H 33 3.866 3.866 4.612 -0.746 17904 2506 1 14 . 1 1 39 39 HIS H H 33 7.395 7.395 8.293 -0.898 17904 2507 1 14 . 1 1 40 40 GLY H H 34 9.005 9.005 8.192 0.813 17904 2508 1 14 . 1 1 41 41 ILE HA H 35 3.968 3.968 3.902 0.066 17904 2509 1 14 . 1 1 41 41 ILE H H 35 7.217 7.217 7.990 -0.773 17904 2510 1 14 . 1 1 42 42 PHE HA H 36 4.306 4.306 4.650 -0.344 17904 2511 1 14 . 1 1 42 42 PHE H H 36 7.890 7.890 7.551 0.339 17904 2512 1 14 . 1 1 43 43 GLY H H 37 8.792 8.792 7.927 0.865 17904 2513 1 14 . 1 1 44 44 ARG HA H 38 4.851 4.851 4.078 0.773 17904 2514 1 14 . 1 1 44 44 ARG H H 38 7.974 7.974 8.675 -0.701 17904 2515 1 14 . 1 1 45 45 HIS HA H 39 5.616 5.616 4.696 0.920 17904 2516 1 14 . 1 1 45 45 HIS H H 39 7.894 7.894 7.772 0.122 17904 2517 1 14 . 1 1 46 46 SER HA H 40 5.060 5.060 4.461 0.599 17904 2518 1 14 . 1 1 46 46 SER H H 40 8.779 8.779 8.398 0.381 17904 2519 1 14 . 1 1 47 47 GLY H H 41 8.279 8.279 8.780 -0.501 17904 2520 1 14 . 1 1 48 48 GLN HA H 42 4.659 4.659 4.393 0.266 17904 2521 1 14 . 1 1 48 48 GLN H H 42 8.725 8.725 8.197 0.528 17904 2522 1 14 . 1 1 49 49 ALA HA H 43 4.141 4.141 4.357 -0.216 17904 2523 1 14 . 1 1 49 49 ALA H H 43 8.725 8.725 8.040 0.685 17904 2524 1 14 . 1 1 50 50 GLU HA H 44 4.281 4.281 4.135 0.146 17904 2525 1 14 . 1 1 50 50 GLU H H 44 8.863 8.863 9.030 -0.167 17904 2526 1 14 . 1 1 51 51 GLY H H 45 8.861 8.861 8.132 0.729 17904 2527 1 14 . 1 1 52 52 TYR HA H 46 4.031 4.031 4.165 -0.134 17904 2528 1 14 . 1 1 52 52 TYR H H 46 7.208 7.208 6.778 0.430 17904 2529 1 14 . 1 1 53 53 SER HA H 47 4.411 4.411 4.302 0.109 17904 2530 1 14 . 1 1 53 53 SER H H 47 7.047 7.047 7.102 -0.055 17904 2531 1 14 . 1 1 54 54 TYR HA H 48 5.260 5.260 4.714 0.546 17904 2532 1 14 . 1 1 54 54 TYR H H 48 8.290 8.290 8.301 -0.011 17904 2533 1 14 . 1 1 55 55 THR HA H 49 4.521 4.521 4.119 0.402 17904 2534 1 14 . 1 1 55 55 THR H H 49 10.374 10.374 8.512 1.862 17904 2535 1 14 . 1 1 56 56 ASP HA H 50 4.131 4.131 4.337 -0.206 17904 2536 1 14 . 1 1 56 56 ASP H H 50 8.689 8.689 8.280 0.409 17904 2537 1 14 . 1 1 57 57 ALA HA H 51 3.902 3.902 3.940 -0.038 17904 2538 1 14 . 1 1 57 57 ALA H H 51 7.709 7.709 7.777 -0.068 17904 2539 1 14 . 1 1 58 58 ASN HA H 52 4.141 4.141 4.360 -0.219 17904 2540 1 14 . 1 1 58 58 ASN H H 52 8.285 8.285 8.692 -0.407 17904 2541 1 14 . 1 1 59 59 ILE HA H 53 3.354 3.354 3.881 -0.527 17904 2542 1 14 . 1 1 59 59 ILE H H 53 7.708 7.708 7.964 -0.256 17904 2543 1 14 . 1 1 60 60 LYS HA H 54 3.874 3.874 3.961 -0.087 17904 2544 1 14 . 1 1 60 60 LYS H H 54 9.160 9.160 7.839 1.321 17904 2545 1 14 . 1 1 61 61 LYS HA H 55 3.834 3.834 4.119 -0.285 17904 2546 1 14 . 1 1 61 61 LYS H H 55 7.484 7.484 7.691 -0.207 17904 2547 1 14 . 1 1 62 62 ASN HA H 56 4.297 4.297 4.336 -0.039 17904 2548 1 14 . 1 1 62 62 ASN H H 56 7.052 7.052 7.775 -0.723 17904 2549 1 14 . 1 1 63 63 VAL HA H 57 3.708 3.708 3.925 -0.217 17904 2550 1 14 . 1 1 63 63 VAL H H 57 7.420 7.420 7.848 -0.428 17904 2551 1 14 . 1 1 64 64 LEU HA H 58 3.841 3.841 4.152 -0.311 17904 2552 1 14 . 1 1 64 64 LEU H H 58 8.346 8.346 7.613 0.733 17904 2553 1 14 . 1 1 65 65 TRP HA H 59 5.061 5.061 4.552 0.509 17904 2554 1 14 . 1 1 65 65 TRP H H 59 8.014 8.014 8.202 -0.188 17904 2555 1 14 . 1 1 66 66 ASP HA H 60 4.982 4.982 5.100 -0.118 17904 2556 1 14 . 1 1 66 66 ASP H H 60 9.639 9.639 8.361 1.278 17904 2557 1 14 . 1 1 67 67 GLU HA H 61 3.665 3.665 4.171 -0.506 17904 2558 1 14 . 1 1 67 67 GLU H H 61 10.320 10.320 8.924 1.396 17904 2559 1 14 . 1 1 68 68 ASN HA H 62 4.621 4.621 4.643 -0.022 17904 2560 1 14 . 1 1 68 68 ASN H H 62 8.337 8.337 8.479 -0.142 17904 2561 1 14 . 1 1 69 69 ASN HA H 63 4.569 4.569 4.503 0.066 17904 2562 1 14 . 1 1 69 69 ASN H H 63 9.641 9.641 8.394 1.247 17904 2563 1 14 . 1 1 70 70 MET H H 64 9.001 9.001 8.439 0.562 17904 2564 1 14 . 1 1 71 71 SER HA H 65 3.915 3.915 4.209 -0.294 17904 2565 1 14 . 1 1 71 71 SER H H 65 7.867 7.867 7.890 -0.023 17904 2566 1 14 . 1 1 72 72 GLU HA H 66 3.840 3.840 4.201 -0.361 17904 2567 1 14 . 1 1 72 72 GLU H H 66 7.837 7.837 7.717 0.120 17904 2568 1 14 . 1 1 73 73 TYR HA H 67 3.869 3.869 4.680 -0.811 17904 2569 1 14 . 1 1 73 73 TYR H H 67 8.463 8.463 8.362 0.101 17904 2570 1 14 . 1 1 74 74 LEU HA H 68 3.377 3.377 3.448 -0.071 17904 2571 1 14 . 1 1 74 74 LEU H H 68 8.164 8.164 7.645 0.519 17904 2572 1 14 . 1 1 75 75 THR HA H 69 3.811 3.811 4.092 -0.281 17904 2573 1 14 . 1 1 75 75 THR H H 69 7.428 7.428 7.606 -0.178 17904 2574 1 14 . 1 1 76 76 ASN HA H 70 4.317 4.317 4.888 -0.571 17904 2575 1 14 . 1 1 76 76 ASN H H 70 6.486 6.486 8.189 -1.703 17904 2576 1 14 . 1 1 77 77 HIS HA H 71 4.215 4.215 5.306 -1.091 17904 2577 1 14 . 1 1 77 77 HIS H H 71 9.673 9.673 8.057 1.616 17904 2578 1 14 . 1 1 78 78 ALA HA H 72 3.898 3.898 4.280 -0.382 17904 2579 1 14 . 1 1 78 78 ALA H H 72 7.763 7.763 8.380 -0.617 17904 2580 1 14 . 1 1 79 79 LYS HA H 73 4.214 4.214 4.046 0.168 17904 2581 1 14 . 1 1 79 79 LYS H H 73 7.163 7.163 8.483 -1.320 17904 2582 1 14 . 1 1 80 80 TYR HA H 74 4.093 4.093 4.252 -0.159 17904 2583 1 14 . 1 1 80 80 TYR H H 74 7.351 7.351 8.271 -0.920 17904 2584 1 14 . 1 1 81 81 ILE HA H 75 4.103 4.103 4.268 -0.165 17904 2585 1 14 . 1 1 81 81 ILE H H 75 8.335 8.335 7.264 1.071 17904 2586 1 14 . 1 1 83 83 GLY H H 77 8.794 8.794 8.661 0.133 17904 2587 1 14 . 1 1 84 84 THR HA H 78 4.691 4.691 4.118 0.573 17904 2588 1 14 . 1 1 84 84 THR H H 78 8.171 8.171 7.807 0.364 17904 2589 1 14 . 1 1 85 85 LYS HA H 79 4.293 4.293 4.546 -0.253 17904 2590 1 14 . 1 1 85 85 LYS H H 79 8.790 8.790 8.671 0.119 17904 2591 1 14 . 1 1 86 86 MET HA H 80 3.102 3.102 4.305 -1.203 17904 2592 1 14 . 1 1 86 86 MET H H 80 7.058 7.058 7.672 -0.614 17904 2593 1 14 . 1 1 87 87 ALA HA H 81 4.212 4.212 4.153 0.059 17904 2594 1 14 . 1 1 87 87 ALA H H 81 8.152 8.152 8.167 -0.015 17904 2595 1 14 . 1 1 88 88 PHE HA H 82 4.369 4.369 4.070 0.299 17904 2596 1 14 . 1 1 88 88 PHE H H 82 6.361 6.361 8.320 -1.959 17904 2597 1 14 . 1 1 90 90 GLY H H 84 8.982 8.982 8.047 0.935 17904 2598 1 14 . 1 1 91 91 LEU H H 85 8.462 8.462 8.295 0.167 17904 2599 1 14 . 1 1 92 92 LYS HA H 86 3.968 3.968 4.034 -0.066 17904 2600 1 14 . 1 1 92 92 LYS H H 86 8.707 8.707 8.537 0.170 17904 2601 1 14 . 1 1 93 93 LYS HA H 87 4.791 4.791 4.380 0.411 17904 2602 1 14 . 1 1 93 93 LYS H H 87 8.984 8.984 8.075 0.909 17904 2603 1 14 . 1 1 94 94 GLU HA H 88 3.847 3.847 3.940 -0.093 17904 2604 1 14 . 1 1 94 94 GLU H H 88 9.115 9.115 8.580 0.535 17904 2605 1 14 . 1 1 95 95 LYS HA H 89 3.968 3.968 4.213 -0.245 17904 2606 1 14 . 1 1 95 95 LYS H H 89 8.809 8.809 8.441 0.368 17904 2607 1 14 . 1 1 96 96 ASP HA H 90 4.019 4.019 4.440 -0.421 17904 2608 1 14 . 1 1 96 96 ASP H H 90 6.540 6.540 8.432 -1.892 17904 2609 1 14 . 1 1 97 97 ARG HA H 91 3.937 3.937 3.933 0.004 17904 2610 1 14 . 1 1 97 97 ARG H H 91 7.653 7.653 8.092 -0.439 17904 2611 1 14 . 1 1 98 98 ASN HA H 92 3.970 3.970 4.360 -0.390 17904 2612 1 14 . 1 1 98 98 ASN H H 92 8.843 8.843 8.263 0.580 17904 2613 1 14 . 1 1 99 99 ASP HA H 93 4.262 4.262 4.521 -0.259 17904 2614 1 14 . 1 1 99 99 ASP H H 93 8.850 8.850 7.660 1.190 17904 2615 1 14 . 1 1 100 100 LEU HA H 94 4.250 4.250 4.069 0.181 17904 2616 1 14 . 1 1 100 100 LEU H H 94 8.711 8.711 7.841 0.870 17904 2617 1 14 . 1 1 101 101 ILE HA H 95 3.653 3.653 3.554 0.099 17904 2618 1 14 . 1 1 101 101 ILE H H 95 9.304 9.304 7.798 1.506 17904 2619 1 14 . 1 1 102 102 THR HA H 96 3.890 3.890 4.087 -0.197 17904 2620 1 14 . 1 1 102 102 THR H H 96 8.346 8.346 7.577 0.769 17904 2621 1 14 . 1 1 103 103 TYR HA H 97 4.129 4.129 4.062 0.067 17904 2622 1 14 . 1 1 103 103 TYR H H 97 8.017 8.017 7.671 0.346 17904 2623 1 14 . 1 1 104 104 LEU HA H 98 3.360 3.360 3.799 -0.439 17904 2624 1 14 . 1 1 104 104 LEU H H 98 9.407 9.407 7.827 1.580 17904 2625 1 14 . 1 1 105 105 LYS HA H 99 3.492 3.492 3.571 -0.079 17904 2626 1 14 . 1 1 105 105 LYS H H 99 8.846 8.846 7.528 1.318 17904 2627 1 14 . 1 1 106 106 LYS HA H 100 4.123 4.123 3.932 0.191 17904 2628 1 14 . 1 1 106 106 LYS H H 100 6.661 6.661 7.163 -0.502 17904 2629 1 14 . 1 1 107 107 ALA HA H 101 3.931 3.931 3.611 0.320 17904 2630 1 14 . 1 1 107 107 ALA H H 101 8.465 8.465 7.783 0.682 17904 2631 1 14 . 1 1 108 108 THR HA H 102 3.967 3.967 4.090 -0.123 17904 2632 1 14 . 1 1 108 108 THR H H 102 7.385 7.385 7.742 -0.357 17904 2633 1 15 . 1 1 3 3 PHE HA H -3 4.481 4.481 4.729 -0.248 17904 2634 1 15 . 1 1 3 3 PHE H H -3 8.881 8.881 8.570 0.311 17904 2635 1 15 . 1 1 4 4 LYS HA H -2 3.873 3.873 4.122 -0.249 17904 2636 1 15 . 1 1 4 4 LYS H H -2 6.768 6.768 8.531 -1.763 17904 2637 1 15 . 1 1 8 8 SER HA H 2 4.840 4.840 4.800 0.040 17904 2638 1 15 . 1 1 8 8 SER H H 2 9.588 9.588 8.446 1.142 17904 2639 1 15 . 1 1 9 9 ALA HA H 3 4.033 4.033 4.403 -0.370 17904 2640 1 15 . 1 1 9 9 ALA H H 3 7.706 7.706 9.049 -1.343 17904 2641 1 15 . 1 1 10 10 LYS HA H 4 4.329 4.329 4.000 0.329 17904 2642 1 15 . 1 1 10 10 LYS H H 4 8.465 8.465 8.238 0.227 17904 2643 1 15 . 1 1 11 11 LYS HA H 5 4.155 4.155 4.056 0.099 17904 2644 1 15 . 1 1 11 11 LYS H H 5 7.893 7.893 7.464 0.429 17904 2645 1 15 . 1 1 12 12 GLY H H 6 8.906 8.906 7.844 1.062 17904 2646 1 15 . 1 1 13 13 ALA HA H 7 2.418 2.418 3.171 -0.753 17904 2647 1 15 . 1 1 13 13 ALA H H 7 8.157 8.157 8.452 -0.295 17904 2648 1 15 . 1 1 14 14 THR HA H 8 3.940 3.940 3.922 0.018 17904 2649 1 15 . 1 1 14 14 THR H H 8 7.325 7.325 7.612 -0.287 17904 2650 1 15 . 1 1 15 15 LEU HA H 9 4.109 4.109 4.057 0.052 17904 2651 1 15 . 1 1 15 15 LEU H H 9 8.044 8.044 7.493 0.551 17904 2652 1 15 . 1 1 16 16 PHE HA H 10 4.048 4.048 3.810 0.238 17904 2653 1 15 . 1 1 16 16 PHE H H 10 8.956 8.956 8.671 0.285 17904 2654 1 15 . 1 1 17 17 LYS HA H 11 4.018 4.018 4.050 -0.032 17904 2655 1 15 . 1 1 17 17 LYS H H 11 8.433 8.433 8.123 0.310 17904 2656 1 15 . 1 1 18 18 THR HA H 12 4.305 4.305 4.304 0.001 17904 2657 1 15 . 1 1 18 18 THR H H 12 8.023 8.023 7.685 0.338 17904 2658 1 15 . 1 1 19 19 ARG HA H 13 5.317 5.317 4.520 0.797 17904 2659 1 15 . 1 1 19 19 ARG H H 13 8.745 8.745 7.722 1.023 17904 2660 1 15 . 1 1 20 20 CYS HA H 14 5.441 5.441 4.270 1.171 17904 2661 1 15 . 1 1 20 20 CYS H H 14 8.022 8.022 8.183 -0.161 17904 2662 1 15 . 1 1 21 21 LEU HA H 15 4.144 4.144 4.927 -0.783 17904 2663 1 15 . 1 1 21 21 LEU H H 15 7.325 7.325 7.394 -0.069 17904 2664 1 15 . 1 1 22 22 GLN HA H 16 4.004 4.004 4.005 -0.001 17904 2665 1 15 . 1 1 22 22 GLN H H 16 9.109 9.109 8.458 0.651 17904 2666 1 15 . 1 1 23 23 CYS HA H 17 4.341 4.341 4.432 -0.091 17904 2667 1 15 . 1 1 23 23 CYS H H 17 7.154 7.154 8.014 -0.860 17904 2668 1 15 . 1 1 24 24 HIS HA H 18 3.530 3.530 4.859 -1.329 17904 2669 1 15 . 1 1 24 24 HIS H H 18 6.626 6.626 8.226 -1.600 17904 2670 1 15 . 1 1 25 25 THR HA H 19 4.514 4.514 4.138 0.376 17904 2671 1 15 . 1 1 25 25 THR H H 19 7.223 7.223 8.157 -0.934 17904 2672 1 15 . 1 1 26 26 VAL HA H 20 4.085 4.085 3.881 0.204 17904 2673 1 15 . 1 1 26 26 VAL H H 20 8.015 8.015 7.901 0.114 17904 2674 1 15 . 1 1 27 27 GLU HA H 21 4.158 4.158 4.201 -0.043 17904 2675 1 15 . 1 1 27 27 GLU H H 21 8.343 8.343 7.793 0.550 17904 2676 1 15 . 1 1 28 28 LYS HA H 22 3.149 3.149 3.566 -0.417 17904 2677 1 15 . 1 1 28 28 LYS H H 22 8.673 8.673 7.770 0.903 17904 2678 1 15 . 1 1 29 29 GLY H H 23 9.308 9.308 8.258 1.050 17904 2679 1 15 . 1 1 30 30 GLY H H 24 7.977 7.977 7.436 0.541 17904 2680 1 15 . 1 1 31 31 PRO HA H 25 4.131 4.131 4.241 -0.110 17904 2681 1 15 . 1 1 32 32 HIS HA H 26 4.261 4.261 4.668 -0.407 17904 2682 1 15 . 1 1 32 32 HIS H H 26 8.337 8.337 8.532 -0.195 17904 2683 1 15 . 1 1 33 33 LYS HA H 27 4.197 4.197 4.577 -0.380 17904 2684 1 15 . 1 1 33 33 LYS H H 27 7.722 7.722 8.133 -0.411 17904 2685 1 15 . 1 1 34 34 VAL HA H 28 3.969 3.969 3.922 0.047 17904 2686 1 15 . 1 1 34 34 VAL H H 28 7.175 7.175 8.505 -1.330 17904 2687 1 15 . 1 1 35 35 GLY H H 29 7.759 7.759 7.590 0.169 17904 2688 1 15 . 1 1 36 36 PRO HA H 30 3.538 3.538 4.068 -0.530 17904 2689 1 15 . 1 1 37 37 ASN HA H 31 3.932 3.932 4.459 -0.527 17904 2690 1 15 . 1 1 37 37 ASN H H 31 10.796 10.796 9.040 1.756 17904 2691 1 15 . 1 1 38 38 LEU HA H 32 3.935 3.935 4.124 -0.189 17904 2692 1 15 . 1 1 38 38 LEU H H 32 7.881 7.881 8.477 -0.596 17904 2693 1 15 . 1 1 39 39 HIS HA H 33 3.866 3.866 4.777 -0.911 17904 2694 1 15 . 1 1 39 39 HIS H H 33 7.395 7.395 8.608 -1.213 17904 2695 1 15 . 1 1 40 40 GLY H H 34 9.005 9.005 8.577 0.428 17904 2696 1 15 . 1 1 41 41 ILE HA H 35 3.968 3.968 3.769 0.199 17904 2697 1 15 . 1 1 41 41 ILE H H 35 7.217 7.217 7.923 -0.706 17904 2698 1 15 . 1 1 42 42 PHE HA H 36 4.306 4.306 4.748 -0.442 17904 2699 1 15 . 1 1 42 42 PHE H H 36 7.890 7.890 7.784 0.106 17904 2700 1 15 . 1 1 43 43 GLY H H 37 8.792 8.792 8.161 0.631 17904 2701 1 15 . 1 1 44 44 ARG HA H 38 4.851 4.851 3.894 0.957 17904 2702 1 15 . 1 1 44 44 ARG H H 38 7.974 7.974 8.590 -0.616 17904 2703 1 15 . 1 1 45 45 HIS HA H 39 5.616 5.616 4.720 0.896 17904 2704 1 15 . 1 1 45 45 HIS H H 39 7.894 7.894 8.144 -0.250 17904 2705 1 15 . 1 1 46 46 SER HA H 40 5.060 5.060 4.291 0.769 17904 2706 1 15 . 1 1 46 46 SER H H 40 8.779 8.779 8.079 0.700 17904 2707 1 15 . 1 1 47 47 GLY H H 41 8.279 8.279 8.202 0.077 17904 2708 1 15 . 1 1 48 48 GLN HA H 42 4.659 4.659 4.364 0.295 17904 2709 1 15 . 1 1 48 48 GLN H H 42 8.725 8.725 8.196 0.529 17904 2710 1 15 . 1 1 49 49 ALA HA H 43 4.141 4.141 4.456 -0.315 17904 2711 1 15 . 1 1 49 49 ALA H H 43 8.725 8.725 8.130 0.595 17904 2712 1 15 . 1 1 50 50 GLU HA H 44 4.281 4.281 4.094 0.187 17904 2713 1 15 . 1 1 50 50 GLU H H 44 8.863 8.863 9.126 -0.263 17904 2714 1 15 . 1 1 51 51 GLY H H 45 8.861 8.861 8.225 0.636 17904 2715 1 15 . 1 1 52 52 TYR HA H 46 4.031 4.031 4.146 -0.115 17904 2716 1 15 . 1 1 52 52 TYR H H 46 7.208 7.208 6.526 0.682 17904 2717 1 15 . 1 1 53 53 SER HA H 47 4.411 4.411 4.369 0.042 17904 2718 1 15 . 1 1 53 53 SER H H 47 7.047 7.047 7.004 0.043 17904 2719 1 15 . 1 1 54 54 TYR HA H 48 5.260 5.260 4.814 0.446 17904 2720 1 15 . 1 1 54 54 TYR H H 48 8.290 8.290 8.321 -0.031 17904 2721 1 15 . 1 1 55 55 THR HA H 49 4.521 4.521 4.370 0.151 17904 2722 1 15 . 1 1 55 55 THR H H 49 10.374 10.374 8.469 1.905 17904 2723 1 15 . 1 1 56 56 ASP HA H 50 4.131 4.131 4.350 -0.219 17904 2724 1 15 . 1 1 56 56 ASP H H 50 8.689 8.689 8.835 -0.146 17904 2725 1 15 . 1 1 57 57 ALA HA H 51 3.902 3.902 3.892 0.010 17904 2726 1 15 . 1 1 57 57 ALA H H 51 7.709 7.709 8.052 -0.343 17904 2727 1 15 . 1 1 58 58 ASN HA H 52 4.141 4.141 4.434 -0.293 17904 2728 1 15 . 1 1 58 58 ASN H H 52 8.285 8.285 7.732 0.553 17904 2729 1 15 . 1 1 59 59 ILE HA H 53 3.354 3.354 3.675 -0.321 17904 2730 1 15 . 1 1 59 59 ILE H H 53 7.708 7.708 7.426 0.282 17904 2731 1 15 . 1 1 60 60 LYS HA H 54 3.874 3.874 3.991 -0.117 17904 2732 1 15 . 1 1 60 60 LYS H H 54 9.160 9.160 8.618 0.542 17904 2733 1 15 . 1 1 61 61 LYS HA H 55 3.834 3.834 4.093 -0.259 17904 2734 1 15 . 1 1 61 61 LYS H H 55 7.484 7.484 7.651 -0.167 17904 2735 1 15 . 1 1 62 62 ASN HA H 56 4.297 4.297 4.221 0.076 17904 2736 1 15 . 1 1 62 62 ASN H H 56 7.052 7.052 7.856 -0.804 17904 2737 1 15 . 1 1 63 63 VAL HA H 57 3.708 3.708 4.187 -0.479 17904 2738 1 15 . 1 1 63 63 VAL H H 57 7.420 7.420 7.741 -0.321 17904 2739 1 15 . 1 1 64 64 LEU HA H 58 3.841 3.841 4.611 -0.770 17904 2740 1 15 . 1 1 64 64 LEU H H 58 8.346 8.346 8.001 0.345 17904 2741 1 15 . 1 1 65 65 TRP HA H 59 5.061 5.061 4.369 0.692 17904 2742 1 15 . 1 1 65 65 TRP H H 59 8.014 8.014 8.275 -0.261 17904 2743 1 15 . 1 1 66 66 ASP HA H 60 4.982 4.982 5.024 -0.042 17904 2744 1 15 . 1 1 66 66 ASP H H 60 9.639 9.639 8.013 1.626 17904 2745 1 15 . 1 1 67 67 GLU HA H 61 3.665 3.665 4.190 -0.525 17904 2746 1 15 . 1 1 67 67 GLU H H 61 10.320 10.320 9.016 1.304 17904 2747 1 15 . 1 1 68 68 ASN HA H 62 4.621 4.621 4.598 0.023 17904 2748 1 15 . 1 1 68 68 ASN H H 62 8.337 8.337 8.474 -0.137 17904 2749 1 15 . 1 1 69 69 ASN HA H 63 4.569 4.569 4.567 0.002 17904 2750 1 15 . 1 1 69 69 ASN H H 63 9.641 9.641 9.559 0.082 17904 2751 1 15 . 1 1 70 70 MET H H 64 9.001 9.001 8.583 0.418 17904 2752 1 15 . 1 1 71 71 SER HA H 65 3.915 3.915 4.157 -0.242 17904 2753 1 15 . 1 1 71 71 SER H H 65 7.867 7.867 7.944 -0.077 17904 2754 1 15 . 1 1 72 72 GLU HA H 66 3.840 3.840 4.302 -0.462 17904 2755 1 15 . 1 1 72 72 GLU H H 66 7.837 7.837 7.713 0.124 17904 2756 1 15 . 1 1 73 73 TYR HA H 67 3.869 3.869 4.601 -0.732 17904 2757 1 15 . 1 1 73 73 TYR H H 67 8.463 8.463 8.203 0.260 17904 2758 1 15 . 1 1 74 74 LEU HA H 68 3.377 3.377 3.685 -0.308 17904 2759 1 15 . 1 1 74 74 LEU H H 68 8.164 8.164 7.841 0.323 17904 2760 1 15 . 1 1 75 75 THR HA H 69 3.811 3.811 4.119 -0.308 17904 2761 1 15 . 1 1 75 75 THR H H 69 7.428 7.428 7.953 -0.525 17904 2762 1 15 . 1 1 76 76 ASN HA H 70 4.317 4.317 5.111 -0.794 17904 2763 1 15 . 1 1 76 76 ASN H H 70 6.486 6.486 8.522 -2.036 17904 2764 1 15 . 1 1 77 77 HIS HA H 71 4.215 4.215 5.098 -0.883 17904 2765 1 15 . 1 1 77 77 HIS H H 71 9.673 9.673 8.252 1.421 17904 2766 1 15 . 1 1 78 78 ALA HA H 72 3.898 3.898 4.244 -0.346 17904 2767 1 15 . 1 1 78 78 ALA H H 72 7.763 7.763 8.290 -0.527 17904 2768 1 15 . 1 1 79 79 LYS HA H 73 4.214 4.214 4.067 0.147 17904 2769 1 15 . 1 1 79 79 LYS H H 73 7.163 7.163 8.495 -1.332 17904 2770 1 15 . 1 1 80 80 TYR HA H 74 4.093 4.093 4.287 -0.194 17904 2771 1 15 . 1 1 80 80 TYR H H 74 7.351 7.351 7.900 -0.549 17904 2772 1 15 . 1 1 81 81 ILE HA H 75 4.103 4.103 4.322 -0.219 17904 2773 1 15 . 1 1 81 81 ILE H H 75 8.335 8.335 7.328 1.007 17904 2774 1 15 . 1 1 83 83 GLY H H 77 8.794 8.794 8.672 0.122 17904 2775 1 15 . 1 1 84 84 THR HA H 78 4.691 4.691 4.164 0.527 17904 2776 1 15 . 1 1 84 84 THR H H 78 8.171 8.171 7.347 0.824 17904 2777 1 15 . 1 1 85 85 LYS HA H 79 4.293 4.293 4.496 -0.203 17904 2778 1 15 . 1 1 85 85 LYS H H 79 8.790 8.790 8.457 0.333 17904 2779 1 15 . 1 1 86 86 MET HA H 80 3.102 3.102 4.663 -1.561 17904 2780 1 15 . 1 1 86 86 MET H H 80 7.058 7.058 8.752 -1.694 17904 2781 1 15 . 1 1 87 87 ALA HA H 81 4.212 4.212 4.239 -0.027 17904 2782 1 15 . 1 1 87 87 ALA H H 81 8.152 8.152 8.426 -0.274 17904 2783 1 15 . 1 1 88 88 PHE HA H 82 4.369 4.369 4.475 -0.106 17904 2784 1 15 . 1 1 88 88 PHE H H 82 6.361 6.361 7.922 -1.561 17904 2785 1 15 . 1 1 90 90 GLY H H 84 8.982 8.982 6.899 2.083 17904 2786 1 15 . 1 1 91 91 LEU H H 85 8.462 8.462 8.248 0.213 17904 2787 1 15 . 1 1 92 92 LYS HA H 86 3.968 3.968 4.064 -0.096 17904 2788 1 15 . 1 1 92 92 LYS H H 86 8.707 8.707 8.468 0.239 17904 2789 1 15 . 1 1 93 93 LYS HA H 87 4.791 4.791 4.485 0.306 17904 2790 1 15 . 1 1 93 93 LYS H H 87 8.984 8.984 7.985 0.999 17904 2791 1 15 . 1 1 94 94 GLU HA H 88 3.847 3.847 3.932 -0.085 17904 2792 1 15 . 1 1 94 94 GLU H H 88 9.115 9.115 8.939 0.176 17904 2793 1 15 . 1 1 95 95 LYS HA H 89 3.968 3.968 4.034 -0.066 17904 2794 1 15 . 1 1 95 95 LYS H H 89 8.809 8.809 8.464 0.345 17904 2795 1 15 . 1 1 96 96 ASP HA H 90 4.019 4.019 4.439 -0.420 17904 2796 1 15 . 1 1 96 96 ASP H H 90 6.540 6.540 8.412 -1.872 17904 2797 1 15 . 1 1 97 97 ARG HA H 91 3.937 3.937 3.977 -0.040 17904 2798 1 15 . 1 1 97 97 ARG H H 91 7.653 7.653 7.897 -0.244 17904 2799 1 15 . 1 1 98 98 ASN HA H 92 3.970 3.970 4.502 -0.532 17904 2800 1 15 . 1 1 98 98 ASN H H 92 8.843 8.843 8.230 0.613 17904 2801 1 15 . 1 1 99 99 ASP HA H 93 4.262 4.262 4.536 -0.274 17904 2802 1 15 . 1 1 99 99 ASP H H 93 8.850 8.850 7.663 1.187 17904 2803 1 15 . 1 1 100 100 LEU HA H 94 4.250 4.250 4.008 0.242 17904 2804 1 15 . 1 1 100 100 LEU H H 94 8.711 8.711 7.228 1.483 17904 2805 1 15 . 1 1 101 101 ILE HA H 95 3.653 3.653 3.566 0.087 17904 2806 1 15 . 1 1 101 101 ILE H H 95 9.304 9.304 7.416 1.888 17904 2807 1 15 . 1 1 102 102 THR HA H 96 3.890 3.890 4.076 -0.186 17904 2808 1 15 . 1 1 102 102 THR H H 96 8.346 8.346 7.716 0.630 17904 2809 1 15 . 1 1 103 103 TYR HA H 97 4.129 4.129 4.026 0.103 17904 2810 1 15 . 1 1 103 103 TYR H H 97 8.017 8.017 7.658 0.359 17904 2811 1 15 . 1 1 104 104 LEU HA H 98 3.360 3.360 3.648 -0.288 17904 2812 1 15 . 1 1 104 104 LEU H H 98 9.407 9.407 7.925 1.482 17904 2813 1 15 . 1 1 105 105 LYS HA H 99 3.492 3.492 3.283 0.209 17904 2814 1 15 . 1 1 105 105 LYS H H 99 8.846 8.846 7.416 1.430 17904 2815 1 15 . 1 1 106 106 LYS HA H 100 4.123 4.123 3.845 0.278 17904 2816 1 15 . 1 1 106 106 LYS H H 100 6.661 6.661 7.175 -0.514 17904 2817 1 15 . 1 1 107 107 ALA HA H 101 3.931 3.931 3.560 0.371 17904 2818 1 15 . 1 1 107 107 ALA H H 101 8.465 8.465 6.855 1.610 17904 2819 1 15 . 1 1 108 108 THR HA H 102 3.967 3.967 4.232 -0.265 17904 2820 1 15 . 1 1 108 108 THR H H 102 7.385 7.385 7.144 0.241 17904 2821 1 16 . 1 1 3 3 PHE HA H -3 4.481 4.481 4.974 -0.493 17904 2822 1 16 . 1 1 3 3 PHE H H -3 8.881 8.881 8.524 0.357 17904 2823 1 16 . 1 1 4 4 LYS HA H -2 3.873 3.873 4.170 -0.297 17904 2824 1 16 . 1 1 4 4 LYS H H -2 6.768 6.768 8.674 -1.906 17904 2825 1 16 . 1 1 8 8 SER HA H 2 4.840 4.840 4.802 0.038 17904 2826 1 16 . 1 1 8 8 SER H H 2 9.588 9.588 8.485 1.103 17904 2827 1 16 . 1 1 9 9 ALA HA H 3 4.033 4.033 4.381 -0.348 17904 2828 1 16 . 1 1 9 9 ALA H H 3 7.706 7.706 9.018 -1.312 17904 2829 1 16 . 1 1 10 10 LYS HA H 4 4.329 4.329 4.017 0.312 17904 2830 1 16 . 1 1 10 10 LYS H H 4 8.465 8.465 8.062 0.403 17904 2831 1 16 . 1 1 11 11 LYS HA H 5 4.155 4.155 4.072 0.083 17904 2832 1 16 . 1 1 11 11 LYS H H 5 7.893 7.893 7.629 0.264 17904 2833 1 16 . 1 1 12 12 GLY H H 6 8.906 8.906 7.870 1.036 17904 2834 1 16 . 1 1 13 13 ALA HA H 7 2.418 2.418 3.026 -0.608 17904 2835 1 16 . 1 1 13 13 ALA H H 7 8.157 8.157 8.507 -0.350 17904 2836 1 16 . 1 1 14 14 THR HA H 8 3.940 3.940 3.973 -0.033 17904 2837 1 16 . 1 1 14 14 THR H H 8 7.325 7.325 7.535 -0.210 17904 2838 1 16 . 1 1 15 15 LEU HA H 9 4.109 4.109 4.156 -0.047 17904 2839 1 16 . 1 1 15 15 LEU H H 9 8.044 8.044 7.463 0.581 17904 2840 1 16 . 1 1 16 16 PHE HA H 10 4.048 4.048 4.052 -0.004 17904 2841 1 16 . 1 1 16 16 PHE H H 10 8.956 8.956 8.714 0.242 17904 2842 1 16 . 1 1 17 17 LYS HA H 11 4.018 4.018 4.073 -0.055 17904 2843 1 16 . 1 1 17 17 LYS H H 11 8.433 8.433 8.417 0.016 17904 2844 1 16 . 1 1 18 18 THR HA H 12 4.305 4.305 4.254 0.051 17904 2845 1 16 . 1 1 18 18 THR H H 12 8.023 8.023 8.122 -0.099 17904 2846 1 16 . 1 1 19 19 ARG HA H 13 5.317 5.317 4.631 0.686 17904 2847 1 16 . 1 1 19 19 ARG H H 13 8.745 8.745 7.601 1.144 17904 2848 1 16 . 1 1 20 20 CYS HA H 14 5.441 5.441 4.329 1.112 17904 2849 1 16 . 1 1 20 20 CYS H H 14 8.022 8.022 8.617 -0.595 17904 2850 1 16 . 1 1 21 21 LEU HA H 15 4.144 4.144 4.345 -0.201 17904 2851 1 16 . 1 1 21 21 LEU H H 15 7.325 7.325 7.640 -0.315 17904 2852 1 16 . 1 1 22 22 GLN HA H 16 4.004 4.004 4.179 -0.175 17904 2853 1 16 . 1 1 22 22 GLN H H 16 9.109 9.109 8.177 0.932 17904 2854 1 16 . 1 1 23 23 CYS HA H 17 4.341 4.341 4.588 -0.247 17904 2855 1 16 . 1 1 23 23 CYS H H 17 7.154 7.154 7.479 -0.325 17904 2856 1 16 . 1 1 24 24 HIS HA H 18 3.530 3.530 5.013 -1.483 17904 2857 1 16 . 1 1 24 24 HIS H H 18 6.626 6.626 8.241 -1.615 17904 2858 1 16 . 1 1 25 25 THR HA H 19 4.514 4.514 4.554 -0.040 17904 2859 1 16 . 1 1 25 25 THR H H 19 7.223 7.223 8.699 -1.476 17904 2860 1 16 . 1 1 26 26 VAL HA H 20 4.085 4.085 4.273 -0.188 17904 2861 1 16 . 1 1 26 26 VAL H H 20 8.015 8.015 8.912 -0.897 17904 2862 1 16 . 1 1 27 27 GLU HA H 21 4.158 4.158 4.214 -0.056 17904 2863 1 16 . 1 1 27 27 GLU H H 21 8.343 8.343 8.234 0.109 17904 2864 1 16 . 1 1 28 28 LYS HA H 22 3.149 3.149 3.546 -0.397 17904 2865 1 16 . 1 1 28 28 LYS H H 22 8.673 8.673 7.910 0.763 17904 2866 1 16 . 1 1 29 29 GLY H H 23 9.308 9.308 8.318 0.990 17904 2867 1 16 . 1 1 30 30 GLY H H 24 7.977 7.977 7.460 0.517 17904 2868 1 16 . 1 1 31 31 PRO HA H 25 4.131 4.131 4.142 -0.011 17904 2869 1 16 . 1 1 32 32 HIS HA H 26 4.261 4.261 4.686 -0.425 17904 2870 1 16 . 1 1 32 32 HIS H H 26 8.337 8.337 8.493 -0.156 17904 2871 1 16 . 1 1 33 33 LYS HA H 27 4.197 4.197 4.517 -0.320 17904 2872 1 16 . 1 1 33 33 LYS H H 27 7.722 7.722 7.831 -0.109 17904 2873 1 16 . 1 1 34 34 VAL HA H 28 3.969 3.969 3.919 0.050 17904 2874 1 16 . 1 1 34 34 VAL H H 28 7.175 7.175 8.380 -1.205 17904 2875 1 16 . 1 1 35 35 GLY H H 29 7.759 7.759 7.228 0.531 17904 2876 1 16 . 1 1 36 36 PRO HA H 30 3.538 3.538 4.106 -0.568 17904 2877 1 16 . 1 1 37 37 ASN HA H 31 3.932 3.932 4.499 -0.567 17904 2878 1 16 . 1 1 37 37 ASN H H 31 10.796 10.796 9.146 1.650 17904 2879 1 16 . 1 1 38 38 LEU HA H 32 3.935 3.935 4.124 -0.189 17904 2880 1 16 . 1 1 38 38 LEU H H 32 7.881 7.881 8.387 -0.506 17904 2881 1 16 . 1 1 39 39 HIS HA H 33 3.866 3.866 4.933 -1.067 17904 2882 1 16 . 1 1 39 39 HIS H H 33 7.395 7.395 8.575 -1.180 17904 2883 1 16 . 1 1 40 40 GLY H H 34 9.005 9.005 8.490 0.515 17904 2884 1 16 . 1 1 41 41 ILE HA H 35 3.968 3.968 3.661 0.307 17904 2885 1 16 . 1 1 41 41 ILE H H 35 7.217 7.217 7.763 -0.546 17904 2886 1 16 . 1 1 42 42 PHE HA H 36 4.306 4.306 4.654 -0.348 17904 2887 1 16 . 1 1 42 42 PHE H H 36 7.890 7.890 7.494 0.396 17904 2888 1 16 . 1 1 43 43 GLY H H 37 8.792 8.792 8.029 0.763 17904 2889 1 16 . 1 1 44 44 ARG HA H 38 4.851 4.851 3.917 0.934 17904 2890 1 16 . 1 1 44 44 ARG H H 38 7.974 7.974 8.707 -0.733 17904 2891 1 16 . 1 1 45 45 HIS HA H 39 5.616 5.616 4.655 0.961 17904 2892 1 16 . 1 1 45 45 HIS H H 39 7.894 7.894 8.256 -0.362 17904 2893 1 16 . 1 1 46 46 SER HA H 40 5.060 5.060 4.305 0.755 17904 2894 1 16 . 1 1 46 46 SER H H 40 8.779 8.779 8.531 0.248 17904 2895 1 16 . 1 1 47 47 GLY H H 41 8.279 8.279 8.794 -0.515 17904 2896 1 16 . 1 1 48 48 GLN HA H 42 4.659 4.659 4.435 0.224 17904 2897 1 16 . 1 1 48 48 GLN H H 42 8.725 8.725 7.696 1.029 17904 2898 1 16 . 1 1 49 49 ALA HA H 43 4.141 4.141 4.389 -0.248 17904 2899 1 16 . 1 1 49 49 ALA H H 43 8.725 8.725 8.262 0.463 17904 2900 1 16 . 1 1 50 50 GLU HA H 44 4.281 4.281 4.172 0.109 17904 2901 1 16 . 1 1 50 50 GLU H H 44 8.863 8.863 8.735 0.128 17904 2902 1 16 . 1 1 51 51 GLY H H 45 8.861 8.861 8.653 0.208 17904 2903 1 16 . 1 1 52 52 TYR HA H 46 4.031 4.031 4.253 -0.222 17904 2904 1 16 . 1 1 52 52 TYR H H 46 7.208 7.208 6.923 0.285 17904 2905 1 16 . 1 1 53 53 SER HA H 47 4.411 4.411 4.371 0.040 17904 2906 1 16 . 1 1 53 53 SER H H 47 7.047 7.047 7.271 -0.224 17904 2907 1 16 . 1 1 54 54 TYR HA H 48 5.260 5.260 4.820 0.440 17904 2908 1 16 . 1 1 54 54 TYR H H 48 8.290 8.290 8.361 -0.071 17904 2909 1 16 . 1 1 55 55 THR HA H 49 4.521 4.521 4.257 0.264 17904 2910 1 16 . 1 1 55 55 THR H H 49 10.374 10.374 8.340 2.034 17904 2911 1 16 . 1 1 56 56 ASP HA H 50 4.131 4.131 4.338 -0.207 17904 2912 1 16 . 1 1 56 56 ASP H H 50 8.689 8.689 8.833 -0.144 17904 2913 1 16 . 1 1 57 57 ALA HA H 51 3.902 3.902 3.882 0.020 17904 2914 1 16 . 1 1 57 57 ALA H H 51 7.709 7.709 7.964 -0.255 17904 2915 1 16 . 1 1 58 58 ASN HA H 52 4.141 4.141 4.438 -0.297 17904 2916 1 16 . 1 1 58 58 ASN H H 52 8.285 8.285 7.632 0.653 17904 2917 1 16 . 1 1 59 59 ILE HA H 53 3.354 3.354 3.741 -0.387 17904 2918 1 16 . 1 1 59 59 ILE H H 53 7.708 7.708 7.498 0.210 17904 2919 1 16 . 1 1 60 60 LYS HA H 54 3.874 3.874 3.994 -0.119 17904 2920 1 16 . 1 1 60 60 LYS H H 54 9.160 9.160 8.557 0.603 17904 2921 1 16 . 1 1 61 61 LYS HA H 55 3.834 3.834 4.139 -0.305 17904 2922 1 16 . 1 1 61 61 LYS H H 55 7.484 7.484 7.790 -0.306 17904 2923 1 16 . 1 1 62 62 ASN HA H 56 4.297 4.297 4.188 0.110 17904 2924 1 16 . 1 1 62 62 ASN H H 56 7.052 7.052 7.882 -0.830 17904 2925 1 16 . 1 1 63 63 VAL HA H 57 3.708 3.708 4.251 -0.543 17904 2926 1 16 . 1 1 63 63 VAL H H 57 7.420 7.420 8.251 -0.831 17904 2927 1 16 . 1 1 64 64 LEU HA H 58 3.841 3.841 4.615 -0.774 17904 2928 1 16 . 1 1 64 64 LEU H H 58 8.346 8.346 7.974 0.372 17904 2929 1 16 . 1 1 65 65 TRP HA H 59 5.061 5.061 4.555 0.506 17904 2930 1 16 . 1 1 65 65 TRP H H 59 8.014 8.014 8.489 -0.475 17904 2931 1 16 . 1 1 66 66 ASP HA H 60 4.982 4.982 5.132 -0.150 17904 2932 1 16 . 1 1 66 66 ASP H H 60 9.639 9.639 8.792 0.847 17904 2933 1 16 . 1 1 67 67 GLU HA H 61 3.665 3.665 4.025 -0.360 17904 2934 1 16 . 1 1 67 67 GLU H H 61 10.320 10.320 8.907 1.413 17904 2935 1 16 . 1 1 68 68 ASN HA H 62 4.621 4.621 4.657 -0.036 17904 2936 1 16 . 1 1 68 68 ASN H H 62 8.337 8.337 8.691 -0.354 17904 2937 1 16 . 1 1 69 69 ASN HA H 63 4.569 4.569 4.638 -0.069 17904 2938 1 16 . 1 1 69 69 ASN H H 63 9.641 9.641 8.518 1.123 17904 2939 1 16 . 1 1 70 70 MET H H 64 9.001 9.001 8.507 0.494 17904 2940 1 16 . 1 1 71 71 SER HA H 65 3.915 3.915 4.161 -0.246 17904 2941 1 16 . 1 1 71 71 SER H H 65 7.867 7.867 7.932 -0.065 17904 2942 1 16 . 1 1 72 72 GLU HA H 66 3.840 3.840 4.265 -0.425 17904 2943 1 16 . 1 1 72 72 GLU H H 66 7.837 7.837 7.699 0.138 17904 2944 1 16 . 1 1 73 73 TYR HA H 67 3.869 3.869 4.602 -0.733 17904 2945 1 16 . 1 1 73 73 TYR H H 67 8.463 8.463 8.479 -0.016 17904 2946 1 16 . 1 1 74 74 LEU HA H 68 3.377 3.377 3.668 -0.291 17904 2947 1 16 . 1 1 74 74 LEU H H 68 8.164 8.164 8.207 -0.043 17904 2948 1 16 . 1 1 75 75 THR HA H 69 3.811 3.811 4.111 -0.300 17904 2949 1 16 . 1 1 75 75 THR H H 69 7.428 7.428 7.998 -0.570 17904 2950 1 16 . 1 1 76 76 ASN HA H 70 4.317 4.317 5.080 -0.763 17904 2951 1 16 . 1 1 76 76 ASN H H 70 6.486 6.486 8.558 -2.072 17904 2952 1 16 . 1 1 77 77 HIS HA H 71 4.215 4.215 4.813 -0.598 17904 2953 1 16 . 1 1 77 77 HIS H H 71 9.673 9.673 8.277 1.396 17904 2954 1 16 . 1 1 78 78 ALA HA H 72 3.898 3.898 4.594 -0.696 17904 2955 1 16 . 1 1 78 78 ALA H H 72 7.763 7.763 8.048 -0.285 17904 2956 1 16 . 1 1 79 79 LYS HA H 73 4.214 4.214 4.066 0.148 17904 2957 1 16 . 1 1 79 79 LYS H H 73 7.163 7.163 8.548 -1.385 17904 2958 1 16 . 1 1 80 80 TYR HA H 74 4.093 4.093 4.292 -0.199 17904 2959 1 16 . 1 1 80 80 TYR H H 74 7.351 7.351 8.218 -0.867 17904 2960 1 16 . 1 1 81 81 ILE HA H 75 4.103 4.103 4.287 -0.184 17904 2961 1 16 . 1 1 81 81 ILE H H 75 8.335 8.335 7.407 0.928 17904 2962 1 16 . 1 1 83 83 GLY H H 77 8.794 8.794 8.697 0.097 17904 2963 1 16 . 1 1 84 84 THR HA H 78 4.691 4.691 4.141 0.550 17904 2964 1 16 . 1 1 84 84 THR H H 78 8.171 8.171 7.675 0.496 17904 2965 1 16 . 1 1 85 85 LYS HA H 79 4.293 4.293 4.556 -0.263 17904 2966 1 16 . 1 1 85 85 LYS H H 79 8.790 8.790 8.446 0.344 17904 2967 1 16 . 1 1 86 86 MET HA H 80 3.102 3.102 4.757 -1.655 17904 2968 1 16 . 1 1 86 86 MET H H 80 7.058 7.058 8.955 -1.897 17904 2969 1 16 . 1 1 87 87 ALA HA H 81 4.212 4.212 4.207 0.005 17904 2970 1 16 . 1 1 87 87 ALA H H 81 8.152 8.152 8.806 -0.654 17904 2971 1 16 . 1 1 88 88 PHE HA H 82 4.369 4.369 4.083 0.286 17904 2972 1 16 . 1 1 88 88 PHE H H 82 6.361 6.361 8.100 -1.739 17904 2973 1 16 . 1 1 90 90 GLY H H 84 8.982 8.982 8.143 0.839 17904 2974 1 16 . 1 1 91 91 LEU H H 85 8.462 8.462 8.429 0.033 17904 2975 1 16 . 1 1 92 92 LYS HA H 86 3.968 3.968 4.040 -0.072 17904 2976 1 16 . 1 1 92 92 LYS H H 86 8.707 8.707 8.795 -0.088 17904 2977 1 16 . 1 1 93 93 LYS HA H 87 4.791 4.791 4.127 0.664 17904 2978 1 16 . 1 1 93 93 LYS H H 87 8.984 8.984 8.161 0.823 17904 2979 1 16 . 1 1 94 94 GLU HA H 88 3.847 3.847 3.808 0.039 17904 2980 1 16 . 1 1 94 94 GLU H H 88 9.115 9.115 8.207 0.908 17904 2981 1 16 . 1 1 95 95 LYS HA H 89 3.968 3.968 3.969 -0.001 17904 2982 1 16 . 1 1 95 95 LYS H H 89 8.809 8.809 8.476 0.333 17904 2983 1 16 . 1 1 96 96 ASP HA H 90 4.019 4.019 4.479 -0.460 17904 2984 1 16 . 1 1 96 96 ASP H H 90 6.540 6.540 8.559 -2.019 17904 2985 1 16 . 1 1 97 97 ARG HA H 91 3.937 3.937 4.101 -0.164 17904 2986 1 16 . 1 1 97 97 ARG H H 91 7.653 7.653 8.221 -0.568 17904 2987 1 16 . 1 1 98 98 ASN HA H 92 3.970 3.970 4.530 -0.560 17904 2988 1 16 . 1 1 98 98 ASN H H 92 8.843 8.843 8.040 0.803 17904 2989 1 16 . 1 1 99 99 ASP HA H 93 4.262 4.262 4.536 -0.274 17904 2990 1 16 . 1 1 99 99 ASP H H 93 8.850 8.850 7.897 0.953 17904 2991 1 16 . 1 1 100 100 LEU HA H 94 4.250 4.250 4.088 0.162 17904 2992 1 16 . 1 1 100 100 LEU H H 94 8.711 8.711 7.297 1.414 17904 2993 1 16 . 1 1 101 101 ILE HA H 95 3.653 3.653 3.419 0.234 17904 2994 1 16 . 1 1 101 101 ILE H H 95 9.304 9.304 7.430 1.874 17904 2995 1 16 . 1 1 102 102 THR HA H 96 3.890 3.890 4.006 -0.116 17904 2996 1 16 . 1 1 102 102 THR H H 96 8.346 8.346 7.697 0.649 17904 2997 1 16 . 1 1 103 103 TYR HA H 97 4.129 4.129 4.080 0.049 17904 2998 1 16 . 1 1 103 103 TYR H H 97 8.017 8.017 7.714 0.303 17904 2999 1 16 . 1 1 104 104 LEU HA H 98 3.360 3.360 3.761 -0.401 17904 3000 1 16 . 1 1 104 104 LEU H H 98 9.407 9.407 8.175 1.232 17904 3001 1 16 . 1 1 105 105 LYS HA H 99 3.492 3.492 3.504 -0.012 17904 3002 1 16 . 1 1 105 105 LYS H H 99 8.846 8.846 7.331 1.515 17904 3003 1 16 . 1 1 106 106 LYS HA H 100 4.123 4.123 3.887 0.236 17904 3004 1 16 . 1 1 106 106 LYS H H 100 6.661 6.661 7.134 -0.473 17904 3005 1 16 . 1 1 107 107 ALA HA H 101 3.931 3.931 3.709 0.222 17904 3006 1 16 . 1 1 107 107 ALA H H 101 8.465 8.465 7.195 1.270 17904 3007 1 16 . 1 1 108 108 THR HA H 102 3.967 3.967 4.200 -0.233 17904 3008 1 16 . 1 1 108 108 THR H H 102 7.385 7.385 7.295 0.090 17904 3009 1 17 . 1 1 3 3 PHE HA H -3 4.481 4.481 4.744 -0.263 17904 3010 1 17 . 1 1 3 3 PHE H H -3 8.881 8.881 7.534 1.347 17904 3011 1 17 . 1 1 4 4 LYS HA H -2 3.873 3.873 4.203 -0.330 17904 3012 1 17 . 1 1 4 4 LYS H H -2 6.768 6.768 8.631 -1.863 17904 3013 1 17 . 1 1 8 8 SER HA H 2 4.840 4.840 4.777 0.063 17904 3014 1 17 . 1 1 8 8 SER H H 2 9.588 9.588 8.461 1.127 17904 3015 1 17 . 1 1 9 9 ALA HA H 3 4.033 4.033 4.370 -0.337 17904 3016 1 17 . 1 1 9 9 ALA H H 3 7.706 7.706 8.997 -1.291 17904 3017 1 17 . 1 1 10 10 LYS HA H 4 4.329 4.329 4.023 0.306 17904 3018 1 17 . 1 1 10 10 LYS H H 4 8.465 8.465 8.028 0.437 17904 3019 1 17 . 1 1 11 11 LYS HA H 5 4.155 4.155 4.061 0.094 17904 3020 1 17 . 1 1 11 11 LYS H H 5 7.893 7.893 7.712 0.181 17904 3021 1 17 . 1 1 12 12 GLY H H 6 8.906 8.906 7.897 1.009 17904 3022 1 17 . 1 1 13 13 ALA HA H 7 2.418 2.418 3.003 -0.585 17904 3023 1 17 . 1 1 13 13 ALA H H 7 8.157 8.157 8.544 -0.387 17904 3024 1 17 . 1 1 14 14 THR HA H 8 3.940 3.940 3.987 -0.047 17904 3025 1 17 . 1 1 14 14 THR H H 8 7.325 7.325 7.696 -0.371 17904 3026 1 17 . 1 1 15 15 LEU HA H 9 4.109 4.109 4.113 -0.004 17904 3027 1 17 . 1 1 15 15 LEU H H 9 8.044 8.044 7.470 0.574 17904 3028 1 17 . 1 1 16 16 PHE HA H 10 4.048 4.048 4.105 -0.057 17904 3029 1 17 . 1 1 16 16 PHE H H 10 8.956 8.956 8.715 0.241 17904 3030 1 17 . 1 1 17 17 LYS HA H 11 4.018 4.018 4.083 -0.065 17904 3031 1 17 . 1 1 17 17 LYS H H 11 8.433 8.433 8.605 -0.172 17904 3032 1 17 . 1 1 18 18 THR HA H 12 4.305 4.305 4.249 0.056 17904 3033 1 17 . 1 1 18 18 THR H H 12 8.023 8.023 8.165 -0.142 17904 3034 1 17 . 1 1 19 19 ARG HA H 13 5.317 5.317 4.598 0.719 17904 3035 1 17 . 1 1 19 19 ARG H H 13 8.745 8.745 7.539 1.206 17904 3036 1 17 . 1 1 20 20 CYS HA H 14 5.441 5.441 4.357 1.084 17904 3037 1 17 . 1 1 20 20 CYS H H 14 8.022 8.022 8.586 -0.564 17904 3038 1 17 . 1 1 21 21 LEU HA H 15 4.144 4.144 3.966 0.178 17904 3039 1 17 . 1 1 21 21 LEU H H 15 7.325 7.325 7.954 -0.629 17904 3040 1 17 . 1 1 22 22 GLN HA H 16 4.004 4.004 4.095 -0.091 17904 3041 1 17 . 1 1 22 22 GLN H H 16 9.109 9.109 8.383 0.726 17904 3042 1 17 . 1 1 23 23 CYS HA H 17 4.341 4.341 4.429 -0.088 17904 3043 1 17 . 1 1 23 23 CYS H H 17 7.154 7.154 7.500 -0.346 17904 3044 1 17 . 1 1 24 24 HIS HA H 18 3.530 3.530 4.674 -1.144 17904 3045 1 17 . 1 1 24 24 HIS H H 18 6.626 6.626 8.377 -1.751 17904 3046 1 17 . 1 1 25 25 THR HA H 19 4.514 4.514 4.052 0.462 17904 3047 1 17 . 1 1 25 25 THR H H 19 7.223 7.223 7.702 -0.479 17904 3048 1 17 . 1 1 26 26 VAL HA H 20 4.085 4.085 4.262 -0.177 17904 3049 1 17 . 1 1 26 26 VAL H H 20 8.015 8.015 8.770 -0.755 17904 3050 1 17 . 1 1 27 27 GLU HA H 21 4.158 4.158 4.300 -0.142 17904 3051 1 17 . 1 1 27 27 GLU H H 21 8.343 8.343 8.576 -0.233 17904 3052 1 17 . 1 1 28 28 LYS HA H 22 3.149 3.149 3.642 -0.493 17904 3053 1 17 . 1 1 28 28 LYS H H 22 8.673 8.673 8.170 0.503 17904 3054 1 17 . 1 1 29 29 GLY H H 23 9.308 9.308 8.297 1.011 17904 3055 1 17 . 1 1 30 30 GLY H H 24 7.977 7.977 7.820 0.157 17904 3056 1 17 . 1 1 31 31 PRO HA H 25 4.131 4.131 4.220 -0.089 17904 3057 1 17 . 1 1 32 32 HIS HA H 26 4.261 4.261 4.213 0.048 17904 3058 1 17 . 1 1 32 32 HIS H H 26 8.337 8.337 8.356 -0.019 17904 3059 1 17 . 1 1 33 33 LYS HA H 27 4.197 4.197 3.981 0.216 17904 3060 1 17 . 1 1 33 33 LYS H H 27 7.722 7.722 7.833 -0.111 17904 3061 1 17 . 1 1 34 34 VAL HA H 28 3.969 3.969 3.959 0.010 17904 3062 1 17 . 1 1 34 34 VAL H H 28 7.175 7.175 8.462 -1.287 17904 3063 1 17 . 1 1 35 35 GLY H H 29 7.759 7.759 7.600 0.159 17904 3064 1 17 . 1 1 36 36 PRO HA H 30 3.538 3.538 3.920 -0.382 17904 3065 1 17 . 1 1 37 37 ASN HA H 31 3.932 3.932 4.675 -0.743 17904 3066 1 17 . 1 1 37 37 ASN H H 31 10.796 10.796 9.000 1.796 17904 3067 1 17 . 1 1 38 38 LEU HA H 32 3.935 3.935 4.074 -0.139 17904 3068 1 17 . 1 1 38 38 LEU H H 32 7.881 7.881 8.461 -0.580 17904 3069 1 17 . 1 1 39 39 HIS HA H 33 3.866 3.866 4.766 -0.899 17904 3070 1 17 . 1 1 39 39 HIS H H 33 7.395 7.395 8.535 -1.140 17904 3071 1 17 . 1 1 40 40 GLY H H 34 9.005 9.005 8.606 0.399 17904 3072 1 17 . 1 1 41 41 ILE HA H 35 3.968 3.968 3.759 0.209 17904 3073 1 17 . 1 1 41 41 ILE H H 35 7.217 7.217 8.004 -0.787 17904 3074 1 17 . 1 1 42 42 PHE HA H 36 4.306 4.306 4.736 -0.430 17904 3075 1 17 . 1 1 42 42 PHE H H 36 7.890 7.890 7.654 0.236 17904 3076 1 17 . 1 1 43 43 GLY H H 37 8.792 8.792 8.613 0.179 17904 3077 1 17 . 1 1 44 44 ARG HA H 38 4.851 4.851 4.779 0.072 17904 3078 1 17 . 1 1 44 44 ARG H H 38 7.974 7.974 8.307 -0.333 17904 3079 1 17 . 1 1 45 45 HIS HA H 39 5.616 5.616 4.315 1.301 17904 3080 1 17 . 1 1 45 45 HIS H H 39 7.894 7.894 8.315 -0.421 17904 3081 1 17 . 1 1 46 46 SER HA H 40 5.060 5.060 4.252 0.808 17904 3082 1 17 . 1 1 46 46 SER H H 40 8.779 8.779 8.475 0.304 17904 3083 1 17 . 1 1 47 47 GLY H H 41 8.279 8.279 8.504 -0.225 17904 3084 1 17 . 1 1 48 48 GLN HA H 42 4.659 4.659 4.001 0.658 17904 3085 1 17 . 1 1 48 48 GLN H H 42 8.725 8.725 8.673 0.052 17904 3086 1 17 . 1 1 49 49 ALA HA H 43 4.141 4.141 4.830 -0.689 17904 3087 1 17 . 1 1 49 49 ALA H H 43 8.725 8.725 7.969 0.756 17904 3088 1 17 . 1 1 50 50 GLU HA H 44 4.281 4.281 4.118 0.163 17904 3089 1 17 . 1 1 50 50 GLU H H 44 8.863 8.863 9.047 -0.184 17904 3090 1 17 . 1 1 51 51 GLY H H 45 8.861 8.861 8.185 0.676 17904 3091 1 17 . 1 1 52 52 TYR HA H 46 4.031 4.031 4.083 -0.052 17904 3092 1 17 . 1 1 52 52 TYR H H 46 7.208 7.208 6.591 0.617 17904 3093 1 17 . 1 1 53 53 SER HA H 47 4.411 4.411 4.240 0.171 17904 3094 1 17 . 1 1 53 53 SER H H 47 7.047 7.047 7.310 -0.263 17904 3095 1 17 . 1 1 54 54 TYR HA H 48 5.260 5.260 4.811 0.449 17904 3096 1 17 . 1 1 54 54 TYR H H 48 8.290 8.290 8.327 -0.037 17904 3097 1 17 . 1 1 55 55 THR HA H 49 4.521 4.521 4.261 0.260 17904 3098 1 17 . 1 1 55 55 THR H H 49 10.374 10.374 8.430 1.944 17904 3099 1 17 . 1 1 56 56 ASP HA H 50 4.131 4.131 4.342 -0.211 17904 3100 1 17 . 1 1 56 56 ASP H H 50 8.689 8.689 8.844 -0.155 17904 3101 1 17 . 1 1 57 57 ALA HA H 51 3.902 3.902 3.906 -0.004 17904 3102 1 17 . 1 1 57 57 ALA H H 51 7.709 7.709 7.994 -0.285 17904 3103 1 17 . 1 1 58 58 ASN HA H 52 4.141 4.141 4.432 -0.291 17904 3104 1 17 . 1 1 58 58 ASN H H 52 8.285 8.285 7.634 0.651 17904 3105 1 17 . 1 1 59 59 ILE HA H 53 3.354 3.354 3.713 -0.359 17904 3106 1 17 . 1 1 59 59 ILE H H 53 7.708 7.708 7.526 0.182 17904 3107 1 17 . 1 1 60 60 LYS HA H 54 3.874 3.874 3.996 -0.122 17904 3108 1 17 . 1 1 60 60 LYS H H 54 9.160 9.160 8.602 0.558 17904 3109 1 17 . 1 1 61 61 LYS HA H 55 3.834 3.834 4.158 -0.324 17904 3110 1 17 . 1 1 61 61 LYS H H 55 7.484 7.484 7.707 -0.223 17904 3111 1 17 . 1 1 62 62 ASN HA H 56 4.297 4.297 4.249 0.048 17904 3112 1 17 . 1 1 62 62 ASN H H 56 7.052 7.052 7.922 -0.870 17904 3113 1 17 . 1 1 63 63 VAL HA H 57 3.708 3.708 4.155 -0.447 17904 3114 1 17 . 1 1 63 63 VAL H H 57 7.420 7.420 8.304 -0.884 17904 3115 1 17 . 1 1 64 64 LEU HA H 58 3.841 3.841 4.473 -0.632 17904 3116 1 17 . 1 1 64 64 LEU H H 58 8.346 8.346 8.080 0.266 17904 3117 1 17 . 1 1 65 65 TRP HA H 59 5.061 5.061 4.482 0.579 17904 3118 1 17 . 1 1 65 65 TRP H H 59 8.014 8.014 8.409 -0.395 17904 3119 1 17 . 1 1 66 66 ASP HA H 60 4.982 4.982 5.136 -0.154 17904 3120 1 17 . 1 1 66 66 ASP H H 60 9.639 9.639 8.416 1.223 17904 3121 1 17 . 1 1 67 67 GLU HA H 61 3.665 3.665 4.091 -0.426 17904 3122 1 17 . 1 1 67 67 GLU H H 61 10.320 10.320 8.940 1.380 17904 3123 1 17 . 1 1 68 68 ASN HA H 62 4.621 4.621 4.583 0.038 17904 3124 1 17 . 1 1 68 68 ASN H H 62 8.337 8.337 8.657 -0.320 17904 3125 1 17 . 1 1 69 69 ASN HA H 63 4.569 4.569 4.539 0.030 17904 3126 1 17 . 1 1 69 69 ASN H H 63 9.641 9.641 8.220 1.421 17904 3127 1 17 . 1 1 70 70 MET H H 64 9.001 9.001 8.726 0.275 17904 3128 1 17 . 1 1 71 71 SER HA H 65 3.915 3.915 4.044 -0.129 17904 3129 1 17 . 1 1 71 71 SER H H 65 7.867 7.867 7.947 -0.080 17904 3130 1 17 . 1 1 72 72 GLU HA H 66 3.840 3.840 4.302 -0.462 17904 3131 1 17 . 1 1 72 72 GLU H H 66 7.837 7.837 7.747 0.090 17904 3132 1 17 . 1 1 73 73 TYR HA H 67 3.869 3.869 4.686 -0.818 17904 3133 1 17 . 1 1 73 73 TYR H H 67 8.463 8.463 8.297 0.166 17904 3134 1 17 . 1 1 74 74 LEU HA H 68 3.377 3.377 3.552 -0.175 17904 3135 1 17 . 1 1 74 74 LEU H H 68 8.164 8.164 7.853 0.311 17904 3136 1 17 . 1 1 75 75 THR HA H 69 3.811 3.811 4.119 -0.308 17904 3137 1 17 . 1 1 75 75 THR H H 69 7.428 7.428 7.767 -0.339 17904 3138 1 17 . 1 1 76 76 ASN HA H 70 4.317 4.317 5.082 -0.765 17904 3139 1 17 . 1 1 76 76 ASN H H 70 6.486 6.486 8.465 -1.979 17904 3140 1 17 . 1 1 77 77 HIS HA H 71 4.215 4.215 4.946 -0.731 17904 3141 1 17 . 1 1 77 77 HIS H H 71 9.673 9.673 7.795 1.878 17904 3142 1 17 . 1 1 78 78 ALA HA H 72 3.898 3.898 4.178 -0.280 17904 3143 1 17 . 1 1 78 78 ALA H H 72 7.763 7.763 8.753 -0.990 17904 3144 1 17 . 1 1 79 79 LYS HA H 73 4.214 4.214 4.167 0.047 17904 3145 1 17 . 1 1 79 79 LYS H H 73 7.163 7.163 8.535 -1.372 17904 3146 1 17 . 1 1 80 80 TYR HA H 74 4.093 4.093 4.674 -0.581 17904 3147 1 17 . 1 1 80 80 TYR H H 74 7.351 7.351 7.768 -0.417 17904 3148 1 17 . 1 1 81 81 ILE HA H 75 4.103 4.103 4.468 -0.365 17904 3149 1 17 . 1 1 81 81 ILE H H 75 8.335 8.335 7.125 1.210 17904 3150 1 17 . 1 1 83 83 GLY H H 77 8.794 8.794 7.970 0.824 17904 3151 1 17 . 1 1 84 84 THR HA H 78 4.691 4.691 4.195 0.496 17904 3152 1 17 . 1 1 84 84 THR H H 78 8.171 8.171 7.761 0.410 17904 3153 1 17 . 1 1 85 85 LYS HA H 79 4.293 4.293 4.380 -0.087 17904 3154 1 17 . 1 1 85 85 LYS H H 79 8.790 8.790 8.420 0.370 17904 3155 1 17 . 1 1 86 86 MET HA H 80 3.102 3.102 4.648 -1.546 17904 3156 1 17 . 1 1 86 86 MET H H 80 7.058 7.058 8.462 -1.404 17904 3157 1 17 . 1 1 87 87 ALA HA H 81 4.212 4.212 4.351 -0.139 17904 3158 1 17 . 1 1 87 87 ALA H H 81 8.152 8.152 8.346 -0.194 17904 3159 1 17 . 1 1 88 88 PHE HA H 82 4.369 4.369 4.452 -0.083 17904 3160 1 17 . 1 1 88 88 PHE H H 82 6.361 6.361 7.732 -1.371 17904 3161 1 17 . 1 1 90 90 GLY H H 84 8.982 8.982 8.184 0.798 17904 3162 1 17 . 1 1 91 91 LEU H H 85 8.462 8.462 8.475 -0.013 17904 3163 1 17 . 1 1 92 92 LYS HA H 86 3.968 3.968 4.004 -0.036 17904 3164 1 17 . 1 1 92 92 LYS H H 86 8.707 8.707 8.802 -0.095 17904 3165 1 17 . 1 1 93 93 LYS HA H 87 4.791 4.791 4.141 0.650 17904 3166 1 17 . 1 1 93 93 LYS H H 87 8.984 8.984 8.285 0.699 17904 3167 1 17 . 1 1 94 94 GLU HA H 88 3.847 3.847 3.889 -0.042 17904 3168 1 17 . 1 1 94 94 GLU H H 88 9.115 9.115 8.278 0.837 17904 3169 1 17 . 1 1 95 95 LYS HA H 89 3.968 3.968 4.012 -0.044 17904 3170 1 17 . 1 1 95 95 LYS H H 89 8.809 8.809 8.246 0.563 17904 3171 1 17 . 1 1 96 96 ASP HA H 90 4.019 4.019 4.496 -0.477 17904 3172 1 17 . 1 1 96 96 ASP H H 90 6.540 6.540 8.541 -2.001 17904 3173 1 17 . 1 1 97 97 ARG HA H 91 3.937 3.937 4.032 -0.095 17904 3174 1 17 . 1 1 97 97 ARG H H 91 7.653 7.653 8.228 -0.575 17904 3175 1 17 . 1 1 98 98 ASN HA H 92 3.970 3.970 4.433 -0.463 17904 3176 1 17 . 1 1 98 98 ASN H H 92 8.843 8.843 8.091 0.751 17904 3177 1 17 . 1 1 99 99 ASP HA H 93 4.262 4.262 4.555 -0.293 17904 3178 1 17 . 1 1 99 99 ASP H H 93 8.850 8.850 7.572 1.278 17904 3179 1 17 . 1 1 100 100 LEU HA H 94 4.250 4.250 3.962 0.288 17904 3180 1 17 . 1 1 100 100 LEU H H 94 8.711 8.711 7.639 1.072 17904 3181 1 17 . 1 1 101 101 ILE HA H 95 3.653 3.653 3.548 0.105 17904 3182 1 17 . 1 1 101 101 ILE H H 95 9.304 9.304 7.570 1.734 17904 3183 1 17 . 1 1 102 102 THR HA H 96 3.890 3.890 4.152 -0.262 17904 3184 1 17 . 1 1 102 102 THR H H 96 8.346 8.346 7.749 0.597 17904 3185 1 17 . 1 1 103 103 TYR HA H 97 4.129 4.129 4.085 0.044 17904 3186 1 17 . 1 1 103 103 TYR H H 97 8.017 8.017 7.787 0.230 17904 3187 1 17 . 1 1 104 104 LEU HA H 98 3.360 3.360 3.669 -0.309 17904 3188 1 17 . 1 1 104 104 LEU H H 98 9.407 9.407 8.235 1.172 17904 3189 1 17 . 1 1 105 105 LYS HA H 99 3.492 3.492 3.448 0.044 17904 3190 1 17 . 1 1 105 105 LYS H H 99 8.846 8.846 7.457 1.389 17904 3191 1 17 . 1 1 106 106 LYS HA H 100 4.123 4.123 3.873 0.250 17904 3192 1 17 . 1 1 106 106 LYS H H 100 6.661 6.661 7.290 -0.629 17904 3193 1 17 . 1 1 107 107 ALA HA H 101 3.931 3.931 3.632 0.299 17904 3194 1 17 . 1 1 107 107 ALA H H 101 8.465 8.465 6.972 1.493 17904 3195 1 17 . 1 1 108 108 THR HA H 102 3.967 3.967 4.296 -0.329 17904 3196 1 17 . 1 1 108 108 THR H H 102 7.385 7.385 7.339 0.046 17904 3197 1 18 . 1 1 3 3 PHE HA H -3 4.481 4.481 4.692 -0.211 17904 3198 1 18 . 1 1 3 3 PHE H H -3 8.881 8.881 8.467 0.414 17904 3199 1 18 . 1 1 4 4 LYS HA H -2 3.873 3.873 4.095 -0.222 17904 3200 1 18 . 1 1 4 4 LYS H H -2 6.768 6.768 8.526 -1.758 17904 3201 1 18 . 1 1 8 8 SER HA H 2 4.840 4.840 4.795 0.045 17904 3202 1 18 . 1 1 8 8 SER H H 2 9.588 9.588 8.399 1.189 17904 3203 1 18 . 1 1 9 9 ALA HA H 3 4.033 4.033 4.336 -0.303 17904 3204 1 18 . 1 1 9 9 ALA H H 3 7.706 7.706 8.972 -1.266 17904 3205 1 18 . 1 1 10 10 LYS HA H 4 4.329 4.329 4.008 0.321 17904 3206 1 18 . 1 1 10 10 LYS H H 4 8.465 8.465 8.266 0.199 17904 3207 1 18 . 1 1 11 11 LYS HA H 5 4.155 4.155 4.058 0.097 17904 3208 1 18 . 1 1 11 11 LYS H H 5 7.893 7.893 7.461 0.432 17904 3209 1 18 . 1 1 12 12 GLY H H 6 8.906 8.906 7.908 0.998 17904 3210 1 18 . 1 1 13 13 ALA HA H 7 2.418 2.418 3.204 -0.786 17904 3211 1 18 . 1 1 13 13 ALA H H 7 8.157 8.157 8.570 -0.413 17904 3212 1 18 . 1 1 14 14 THR HA H 8 3.940 3.940 3.993 -0.053 17904 3213 1 18 . 1 1 14 14 THR H H 8 7.325 7.325 7.696 -0.371 17904 3214 1 18 . 1 1 15 15 LEU HA H 9 4.109 4.109 4.082 0.027 17904 3215 1 18 . 1 1 15 15 LEU H H 9 8.044 8.044 7.469 0.575 17904 3216 1 18 . 1 1 16 16 PHE HA H 10 4.048 4.048 3.899 0.149 17904 3217 1 18 . 1 1 16 16 PHE H H 10 8.956 8.956 8.683 0.273 17904 3218 1 18 . 1 1 17 17 LYS HA H 11 4.018 4.018 4.094 -0.076 17904 3219 1 18 . 1 1 17 17 LYS H H 11 8.433 8.433 8.155 0.278 17904 3220 1 18 . 1 1 18 18 THR HA H 12 4.305 4.305 4.329 -0.024 17904 3221 1 18 . 1 1 18 18 THR H H 12 8.023 8.023 7.966 0.057 17904 3222 1 18 . 1 1 19 19 ARG HA H 13 5.317 5.317 4.560 0.757 17904 3223 1 18 . 1 1 19 19 ARG H H 13 8.745 8.745 7.608 1.137 17904 3224 1 18 . 1 1 20 20 CYS HA H 14 5.441 5.441 4.401 1.040 17904 3225 1 18 . 1 1 20 20 CYS H H 14 8.022 8.022 8.303 -0.281 17904 3226 1 18 . 1 1 21 21 LEU HA H 15 4.144 4.144 4.635 -0.491 17904 3227 1 18 . 1 1 21 21 LEU H H 15 7.325 7.325 7.665 -0.340 17904 3228 1 18 . 1 1 22 22 GLN HA H 16 4.004 4.004 4.029 -0.025 17904 3229 1 18 . 1 1 22 22 GLN H H 16 9.109 9.109 8.109 1.000 17904 3230 1 18 . 1 1 23 23 CYS HA H 17 4.341 4.341 4.478 -0.137 17904 3231 1 18 . 1 1 23 23 CYS H H 17 7.154 7.154 8.003 -0.849 17904 3232 1 18 . 1 1 24 24 HIS HA H 18 3.530 3.530 4.578 -1.048 17904 3233 1 18 . 1 1 24 24 HIS H H 18 6.626 6.626 8.524 -1.898 17904 3234 1 18 . 1 1 25 25 THR HA H 19 4.514 4.514 4.062 0.452 17904 3235 1 18 . 1 1 25 25 THR H H 19 7.223 7.223 8.083 -0.860 17904 3236 1 18 . 1 1 26 26 VAL HA H 20 4.085 4.085 3.934 0.151 17904 3237 1 18 . 1 1 26 26 VAL H H 20 8.015 8.015 9.040 -1.025 17904 3238 1 18 . 1 1 27 27 GLU HA H 21 4.158 4.158 4.276 -0.118 17904 3239 1 18 . 1 1 27 27 GLU H H 21 8.343 8.343 8.387 -0.044 17904 3240 1 18 . 1 1 28 28 LYS HA H 22 3.149 3.149 3.669 -0.520 17904 3241 1 18 . 1 1 28 28 LYS H H 22 8.673 8.673 7.977 0.696 17904 3242 1 18 . 1 1 29 29 GLY H H 23 9.308 9.308 8.094 1.214 17904 3243 1 18 . 1 1 30 30 GLY H H 24 7.977 7.977 7.533 0.444 17904 3244 1 18 . 1 1 31 31 PRO HA H 25 4.131 4.131 4.148 -0.017 17904 3245 1 18 . 1 1 32 32 HIS HA H 26 4.261 4.261 4.602 -0.341 17904 3246 1 18 . 1 1 32 32 HIS H H 26 8.337 8.337 8.455 -0.118 17904 3247 1 18 . 1 1 33 33 LYS HA H 27 4.197 4.197 4.017 0.180 17904 3248 1 18 . 1 1 33 33 LYS H H 27 7.722 7.722 8.323 -0.601 17904 3249 1 18 . 1 1 34 34 VAL HA H 28 3.969 3.969 4.106 -0.137 17904 3250 1 18 . 1 1 34 34 VAL H H 28 7.175 7.175 7.577 -0.402 17904 3251 1 18 . 1 1 35 35 GLY H H 29 7.759 7.759 7.740 0.019 17904 3252 1 18 . 1 1 36 36 PRO HA H 30 3.538 3.538 4.202 -0.664 17904 3253 1 18 . 1 1 37 37 ASN HA H 31 3.932 3.932 4.613 -0.681 17904 3254 1 18 . 1 1 37 37 ASN H H 31 10.796 10.796 9.097 1.699 17904 3255 1 18 . 1 1 38 38 LEU HA H 32 3.935 3.935 4.076 -0.141 17904 3256 1 18 . 1 1 38 38 LEU H H 32 7.881 7.881 8.461 -0.580 17904 3257 1 18 . 1 1 39 39 HIS HA H 33 3.866 3.866 4.725 -0.859 17904 3258 1 18 . 1 1 39 39 HIS H H 33 7.395 7.395 8.419 -1.024 17904 3259 1 18 . 1 1 40 40 GLY H H 34 9.005 9.005 8.531 0.474 17904 3260 1 18 . 1 1 41 41 ILE HA H 35 3.968 3.968 3.729 0.239 17904 3261 1 18 . 1 1 41 41 ILE H H 35 7.217 7.217 7.912 -0.695 17904 3262 1 18 . 1 1 42 42 PHE HA H 36 4.306 4.306 4.722 -0.416 17904 3263 1 18 . 1 1 42 42 PHE H H 36 7.890 7.890 7.702 0.188 17904 3264 1 18 . 1 1 43 43 GLY H H 37 8.792 8.792 8.538 0.254 17904 3265 1 18 . 1 1 44 44 ARG HA H 38 4.851 4.851 4.659 0.192 17904 3266 1 18 . 1 1 44 44 ARG H H 38 7.974 7.974 8.187 -0.213 17904 3267 1 18 . 1 1 45 45 HIS HA H 39 5.616 5.616 4.214 1.402 17904 3268 1 18 . 1 1 45 45 HIS H H 39 7.894 7.894 8.643 -0.749 17904 3269 1 18 . 1 1 46 46 SER HA H 40 5.060 5.060 4.746 0.314 17904 3270 1 18 . 1 1 46 46 SER H H 40 8.779 8.779 8.454 0.325 17904 3271 1 18 . 1 1 47 47 GLY H H 41 8.279 8.279 8.583 -0.304 17904 3272 1 18 . 1 1 48 48 GLN HA H 42 4.659 4.659 4.429 0.230 17904 3273 1 18 . 1 1 48 48 GLN H H 42 8.725 8.725 8.470 0.255 17904 3274 1 18 . 1 1 49 49 ALA HA H 43 4.141 4.141 4.495 -0.354 17904 3275 1 18 . 1 1 49 49 ALA H H 43 8.725 8.725 8.153 0.572 17904 3276 1 18 . 1 1 50 50 GLU HA H 44 4.281 4.281 4.147 0.134 17904 3277 1 18 . 1 1 50 50 GLU H H 44 8.863 8.863 9.162 -0.299 17904 3278 1 18 . 1 1 51 51 GLY H H 45 8.861 8.861 8.126 0.735 17904 3279 1 18 . 1 1 52 52 TYR HA H 46 4.031 4.031 3.835 0.196 17904 3280 1 18 . 1 1 52 52 TYR H H 46 7.208 7.208 7.048 0.160 17904 3281 1 18 . 1 1 53 53 SER HA H 47 4.411 4.411 4.291 0.120 17904 3282 1 18 . 1 1 53 53 SER H H 47 7.047 7.047 7.067 -0.020 17904 3283 1 18 . 1 1 54 54 TYR HA H 48 5.260 5.260 4.621 0.639 17904 3284 1 18 . 1 1 54 54 TYR H H 48 8.290 8.290 8.216 0.074 17904 3285 1 18 . 1 1 55 55 THR HA H 49 4.521 4.521 4.216 0.305 17904 3286 1 18 . 1 1 55 55 THR H H 49 10.374 10.374 8.598 1.776 17904 3287 1 18 . 1 1 56 56 ASP HA H 50 4.131 4.131 4.257 -0.126 17904 3288 1 18 . 1 1 56 56 ASP H H 50 8.689 8.689 8.777 -0.088 17904 3289 1 18 . 1 1 57 57 ALA HA H 51 3.902 3.902 3.964 -0.062 17904 3290 1 18 . 1 1 57 57 ALA H H 51 7.709 7.709 8.305 -0.596 17904 3291 1 18 . 1 1 58 58 ASN HA H 52 4.141 4.141 4.418 -0.277 17904 3292 1 18 . 1 1 58 58 ASN H H 52 8.285 8.285 8.743 -0.458 17904 3293 1 18 . 1 1 59 59 ILE HA H 53 3.354 3.354 3.875 -0.521 17904 3294 1 18 . 1 1 59 59 ILE H H 53 7.708 7.708 7.871 -0.163 17904 3295 1 18 . 1 1 60 60 LYS HA H 54 3.874 3.874 3.977 -0.103 17904 3296 1 18 . 1 1 60 60 LYS H H 54 9.160 9.160 8.200 0.960 17904 3297 1 18 . 1 1 61 61 LYS HA H 55 3.834 3.834 4.156 -0.322 17904 3298 1 18 . 1 1 61 61 LYS H H 55 7.484 7.484 7.639 -0.155 17904 3299 1 18 . 1 1 62 62 ASN HA H 56 4.297 4.297 4.142 0.155 17904 3300 1 18 . 1 1 62 62 ASN H H 56 7.052 7.052 7.957 -0.905 17904 3301 1 18 . 1 1 63 63 VAL HA H 57 3.708 3.708 4.208 -0.500 17904 3302 1 18 . 1 1 63 63 VAL H H 57 7.420 7.420 7.194 0.226 17904 3303 1 18 . 1 1 64 64 LEU HA H 58 3.841 3.841 4.605 -0.764 17904 3304 1 18 . 1 1 64 64 LEU H H 58 8.346 8.346 8.125 0.221 17904 3305 1 18 . 1 1 65 65 TRP HA H 59 5.061 5.061 4.565 0.496 17904 3306 1 18 . 1 1 65 65 TRP H H 59 8.014 8.014 8.301 -0.287 17904 3307 1 18 . 1 1 66 66 ASP HA H 60 4.982 4.982 5.085 -0.103 17904 3308 1 18 . 1 1 66 66 ASP H H 60 9.639 9.639 8.418 1.221 17904 3309 1 18 . 1 1 67 67 GLU HA H 61 3.665 3.665 4.059 -0.394 17904 3310 1 18 . 1 1 67 67 GLU H H 61 10.320 10.320 8.997 1.323 17904 3311 1 18 . 1 1 68 68 ASN HA H 62 4.621 4.621 4.612 0.009 17904 3312 1 18 . 1 1 68 68 ASN H H 62 8.337 8.337 8.545 -0.208 17904 3313 1 18 . 1 1 69 69 ASN HA H 63 4.569 4.569 4.547 0.022 17904 3314 1 18 . 1 1 69 69 ASN H H 63 9.641 9.641 8.306 1.335 17904 3315 1 18 . 1 1 70 70 MET H H 64 9.001 9.001 8.722 0.279 17904 3316 1 18 . 1 1 71 71 SER HA H 65 3.915 3.915 4.092 -0.177 17904 3317 1 18 . 1 1 71 71 SER H H 65 7.867 7.867 7.929 -0.062 17904 3318 1 18 . 1 1 72 72 GLU HA H 66 3.840 3.840 4.303 -0.463 17904 3319 1 18 . 1 1 72 72 GLU H H 66 7.837 7.837 7.730 0.107 17904 3320 1 18 . 1 1 73 73 TYR HA H 67 3.869 3.869 4.694 -0.825 17904 3321 1 18 . 1 1 73 73 TYR H H 67 8.463 8.463 8.319 0.144 17904 3322 1 18 . 1 1 74 74 LEU HA H 68 3.377 3.377 3.679 -0.302 17904 3323 1 18 . 1 1 74 74 LEU H H 68 8.164 8.164 8.206 -0.042 17904 3324 1 18 . 1 1 75 75 THR HA H 69 3.811 3.811 4.145 -0.334 17904 3325 1 18 . 1 1 75 75 THR H H 69 7.428 7.428 8.033 -0.605 17904 3326 1 18 . 1 1 76 76 ASN HA H 70 4.317 4.317 5.005 -0.688 17904 3327 1 18 . 1 1 76 76 ASN H H 70 6.486 6.486 8.570 -2.084 17904 3328 1 18 . 1 1 77 77 HIS HA H 71 4.215 4.215 4.945 -0.730 17904 3329 1 18 . 1 1 77 77 HIS H H 71 9.673 9.673 7.962 1.711 17904 3330 1 18 . 1 1 78 78 ALA HA H 72 3.898 3.898 4.387 -0.489 17904 3331 1 18 . 1 1 78 78 ALA H H 72 7.763 7.763 8.309 -0.546 17904 3332 1 18 . 1 1 79 79 LYS HA H 73 4.214 4.214 4.049 0.165 17904 3333 1 18 . 1 1 79 79 LYS H H 73 7.163 7.163 8.479 -1.316 17904 3334 1 18 . 1 1 80 80 TYR HA H 74 4.093 4.093 4.287 -0.194 17904 3335 1 18 . 1 1 80 80 TYR H H 74 7.351 7.351 7.897 -0.546 17904 3336 1 18 . 1 1 81 81 ILE HA H 75 4.103 4.103 4.339 -0.236 17904 3337 1 18 . 1 1 81 81 ILE H H 75 8.335 8.335 7.249 1.086 17904 3338 1 18 . 1 1 83 83 GLY H H 77 8.794 8.794 8.698 0.096 17904 3339 1 18 . 1 1 84 84 THR HA H 78 4.691 4.691 4.212 0.479 17904 3340 1 18 . 1 1 84 84 THR H H 78 8.171 8.171 7.658 0.513 17904 3341 1 18 . 1 1 85 85 LYS HA H 79 4.293 4.293 4.667 -0.374 17904 3342 1 18 . 1 1 85 85 LYS H H 79 8.790 8.790 8.437 0.353 17904 3343 1 18 . 1 1 86 86 MET HA H 80 3.102 3.102 4.747 -1.645 17904 3344 1 18 . 1 1 86 86 MET H H 80 7.058 7.058 8.807 -1.749 17904 3345 1 18 . 1 1 87 87 ALA HA H 81 4.212 4.212 4.207 0.005 17904 3346 1 18 . 1 1 87 87 ALA H H 81 8.152 8.152 8.736 -0.584 17904 3347 1 18 . 1 1 88 88 PHE HA H 82 4.369 4.369 4.077 0.292 17904 3348 1 18 . 1 1 88 88 PHE H H 82 6.361 6.361 8.017 -1.656 17904 3349 1 18 . 1 1 90 90 GLY H H 84 8.982 8.982 7.936 1.046 17904 3350 1 18 . 1 1 91 91 LEU H H 85 8.462 8.462 8.477 -0.015 17904 3351 1 18 . 1 1 92 92 LYS HA H 86 3.968 3.968 4.061 -0.093 17904 3352 1 18 . 1 1 92 92 LYS H H 86 8.707 8.707 8.450 0.257 17904 3353 1 18 . 1 1 93 93 LYS HA H 87 4.791 4.791 4.529 0.262 17904 3354 1 18 . 1 1 93 93 LYS H H 87 8.984 8.984 7.856 1.128 17904 3355 1 18 . 1 1 94 94 GLU HA H 88 3.847 3.847 3.971 -0.124 17904 3356 1 18 . 1 1 94 94 GLU H H 88 9.115 9.115 8.872 0.243 17904 3357 1 18 . 1 1 95 95 LYS HA H 89 3.968 3.968 4.042 -0.074 17904 3358 1 18 . 1 1 95 95 LYS H H 89 8.809 8.809 8.511 0.298 17904 3359 1 18 . 1 1 96 96 ASP HA H 90 4.019 4.019 4.438 -0.419 17904 3360 1 18 . 1 1 96 96 ASP H H 90 6.540 6.540 8.423 -1.883 17904 3361 1 18 . 1 1 97 97 ARG HA H 91 3.937 3.937 3.955 -0.018 17904 3362 1 18 . 1 1 97 97 ARG H H 91 7.653 7.653 7.809 -0.156 17904 3363 1 18 . 1 1 98 98 ASN HA H 92 3.970 3.970 4.446 -0.476 17904 3364 1 18 . 1 1 98 98 ASN H H 92 8.843 8.843 7.980 0.863 17904 3365 1 18 . 1 1 99 99 ASP HA H 93 4.262 4.262 4.511 -0.249 17904 3366 1 18 . 1 1 99 99 ASP H H 93 8.850 8.850 7.478 1.372 17904 3367 1 18 . 1 1 100 100 LEU HA H 94 4.250 4.250 4.062 0.188 17904 3368 1 18 . 1 1 100 100 LEU H H 94 8.711 8.711 7.922 0.789 17904 3369 1 18 . 1 1 101 101 ILE HA H 95 3.653 3.653 3.431 0.222 17904 3370 1 18 . 1 1 101 101 ILE H H 95 9.304 9.304 7.468 1.836 17904 3371 1 18 . 1 1 102 102 THR HA H 96 3.890 3.890 4.138 -0.248 17904 3372 1 18 . 1 1 102 102 THR H H 96 8.346 8.346 7.655 0.691 17904 3373 1 18 . 1 1 103 103 TYR HA H 97 4.129 4.129 4.067 0.062 17904 3374 1 18 . 1 1 103 103 TYR H H 97 8.017 8.017 7.851 0.166 17904 3375 1 18 . 1 1 104 104 LEU HA H 98 3.360 3.360 3.674 -0.314 17904 3376 1 18 . 1 1 104 104 LEU H H 98 9.407 9.407 8.192 1.215 17904 3377 1 18 . 1 1 105 105 LYS HA H 99 3.492 3.492 3.227 0.265 17904 3378 1 18 . 1 1 105 105 LYS H H 99 8.846 8.846 7.319 1.527 17904 3379 1 18 . 1 1 106 106 LYS HA H 100 4.123 4.123 3.860 0.263 17904 3380 1 18 . 1 1 106 106 LYS H H 100 6.661 6.661 7.021 -0.360 17904 3381 1 18 . 1 1 107 107 ALA HA H 101 3.931 3.931 3.772 0.159 17904 3382 1 18 . 1 1 107 107 ALA H H 101 8.465 8.465 7.191 1.274 17904 3383 1 18 . 1 1 108 108 THR HA H 102 3.967 3.967 3.810 0.157 17904 3384 1 18 . 1 1 108 108 THR H H 102 7.385 7.385 7.280 0.105 17904 3385 1 19 . 1 1 3 3 PHE HA H -3 4.481 4.481 4.676 -0.195 17904 3386 1 19 . 1 1 3 3 PHE H H -3 8.881 8.881 7.771 1.110 17904 3387 1 19 . 1 1 4 4 LYS HA H -2 3.873 3.873 4.070 -0.197 17904 3388 1 19 . 1 1 4 4 LYS H H -2 6.768 6.768 8.646 -1.878 17904 3389 1 19 . 1 1 8 8 SER HA H 2 4.840 4.840 4.734 0.106 17904 3390 1 19 . 1 1 8 8 SER H H 2 9.588 9.588 8.357 1.231 17904 3391 1 19 . 1 1 9 9 ALA HA H 3 4.033 4.033 4.291 -0.258 17904 3392 1 19 . 1 1 9 9 ALA H H 3 7.706 7.706 9.014 -1.308 17904 3393 1 19 . 1 1 10 10 LYS HA H 4 4.329 4.329 4.024 0.305 17904 3394 1 19 . 1 1 10 10 LYS H H 4 8.465 8.465 7.999 0.466 17904 3395 1 19 . 1 1 11 11 LYS HA H 5 4.155 4.155 4.077 0.078 17904 3396 1 19 . 1 1 11 11 LYS H H 5 7.893 7.893 7.838 0.055 17904 3397 1 19 . 1 1 12 12 GLY H H 6 8.906 8.906 8.089 0.817 17904 3398 1 19 . 1 1 13 13 ALA HA H 7 2.418 2.418 3.119 -0.701 17904 3399 1 19 . 1 1 13 13 ALA H H 7 8.157 8.157 8.262 -0.105 17904 3400 1 19 . 1 1 14 14 THR HA H 8 3.940 3.940 3.897 0.043 17904 3401 1 19 . 1 1 14 14 THR H H 8 7.325 7.325 7.495 -0.170 17904 3402 1 19 . 1 1 15 15 LEU HA H 9 4.109 4.109 3.962 0.147 17904 3403 1 19 . 1 1 15 15 LEU H H 9 8.044 8.044 7.394 0.650 17904 3404 1 19 . 1 1 16 16 PHE HA H 10 4.048 4.048 3.896 0.152 17904 3405 1 19 . 1 1 16 16 PHE H H 10 8.956 8.956 8.214 0.742 17904 3406 1 19 . 1 1 17 17 LYS HA H 11 4.018 4.018 4.087 -0.069 17904 3407 1 19 . 1 1 17 17 LYS H H 11 8.433 8.433 8.314 0.119 17904 3408 1 19 . 1 1 18 18 THR HA H 12 4.305 4.305 4.306 -0.001 17904 3409 1 19 . 1 1 18 18 THR H H 12 8.023 8.023 7.894 0.129 17904 3410 1 19 . 1 1 19 19 ARG HA H 13 5.317 5.317 4.522 0.795 17904 3411 1 19 . 1 1 19 19 ARG H H 13 8.745 8.745 7.801 0.944 17904 3412 1 19 . 1 1 20 20 CYS HA H 14 5.441 5.441 4.570 0.871 17904 3413 1 19 . 1 1 20 20 CYS H H 14 8.022 8.022 8.131 -0.109 17904 3414 1 19 . 1 1 21 21 LEU HA H 15 4.144 4.144 4.592 -0.448 17904 3415 1 19 . 1 1 21 21 LEU H H 15 7.325 7.325 7.639 -0.314 17904 3416 1 19 . 1 1 22 22 GLN HA H 16 4.004 4.004 4.053 -0.049 17904 3417 1 19 . 1 1 22 22 GLN H H 16 9.109 9.109 8.160 0.949 17904 3418 1 19 . 1 1 23 23 CYS HA H 17 4.341 4.341 4.371 -0.030 17904 3419 1 19 . 1 1 23 23 CYS H H 17 7.154 7.154 7.921 -0.767 17904 3420 1 19 . 1 1 24 24 HIS HA H 18 3.530 3.530 4.621 -1.091 17904 3421 1 19 . 1 1 24 24 HIS H H 18 6.626 6.626 8.647 -2.021 17904 3422 1 19 . 1 1 25 25 THR HA H 19 4.514 4.514 4.139 0.375 17904 3423 1 19 . 1 1 25 25 THR H H 19 7.223 7.223 8.281 -1.058 17904 3424 1 19 . 1 1 26 26 VAL HA H 20 4.085 4.085 3.975 0.110 17904 3425 1 19 . 1 1 26 26 VAL H H 20 8.015 8.015 8.878 -0.863 17904 3426 1 19 . 1 1 27 27 GLU HA H 21 4.158 4.158 3.947 0.211 17904 3427 1 19 . 1 1 27 27 GLU H H 21 8.343 8.343 8.652 -0.309 17904 3428 1 19 . 1 1 28 28 LYS HA H 22 3.149 3.149 3.898 -0.749 17904 3429 1 19 . 1 1 28 28 LYS H H 22 8.673 8.673 8.343 0.330 17904 3430 1 19 . 1 1 29 29 GLY H H 23 9.308 9.308 8.094 1.214 17904 3431 1 19 . 1 1 30 30 GLY H H 24 7.977 7.977 8.126 -0.149 17904 3432 1 19 . 1 1 31 31 PRO HA H 25 4.131 4.131 4.200 -0.069 17904 3433 1 19 . 1 1 32 32 HIS HA H 26 4.261 4.261 4.363 -0.102 17904 3434 1 19 . 1 1 32 32 HIS H H 26 8.337 8.337 8.353 -0.016 17904 3435 1 19 . 1 1 33 33 LYS HA H 27 4.197 4.197 3.939 0.258 17904 3436 1 19 . 1 1 33 33 LYS H H 27 7.722 7.722 7.871 -0.149 17904 3437 1 19 . 1 1 34 34 VAL HA H 28 3.969 3.969 4.168 -0.199 17904 3438 1 19 . 1 1 34 34 VAL H H 28 7.175 7.175 8.370 -1.195 17904 3439 1 19 . 1 1 35 35 GLY H H 29 7.759 7.759 7.481 0.278 17904 3440 1 19 . 1 1 36 36 PRO HA H 30 3.538 3.538 3.877 -0.339 17904 3441 1 19 . 1 1 37 37 ASN HA H 31 3.932 3.932 4.824 -0.892 17904 3442 1 19 . 1 1 37 37 ASN H H 31 10.796 10.796 9.068 1.728 17904 3443 1 19 . 1 1 38 38 LEU HA H 32 3.935 3.935 4.068 -0.133 17904 3444 1 19 . 1 1 38 38 LEU H H 32 7.881 7.881 8.451 -0.570 17904 3445 1 19 . 1 1 39 39 HIS HA H 33 3.866 3.866 4.878 -1.012 17904 3446 1 19 . 1 1 39 39 HIS H H 33 7.395 7.395 8.615 -1.220 17904 3447 1 19 . 1 1 40 40 GLY H H 34 9.005 9.005 8.558 0.447 17904 3448 1 19 . 1 1 41 41 ILE HA H 35 3.968 3.968 3.645 0.323 17904 3449 1 19 . 1 1 41 41 ILE H H 35 7.217 7.217 8.035 -0.818 17904 3450 1 19 . 1 1 42 42 PHE HA H 36 4.306 4.306 4.709 -0.403 17904 3451 1 19 . 1 1 42 42 PHE H H 36 7.890 7.890 7.473 0.417 17904 3452 1 19 . 1 1 43 43 GLY H H 37 8.792 8.792 8.753 0.039 17904 3453 1 19 . 1 1 44 44 ARG HA H 38 4.851 4.851 4.491 0.360 17904 3454 1 19 . 1 1 44 44 ARG H H 38 7.974 7.974 8.034 -0.060 17904 3455 1 19 . 1 1 45 45 HIS HA H 39 5.616 5.616 4.352 1.264 17904 3456 1 19 . 1 1 45 45 HIS H H 39 7.894 7.894 7.213 0.681 17904 3457 1 19 . 1 1 46 46 SER HA H 40 5.060 5.060 4.317 0.743 17904 3458 1 19 . 1 1 46 46 SER H H 40 8.779 8.779 8.453 0.326 17904 3459 1 19 . 1 1 47 47 GLY H H 41 8.279 8.279 8.511 -0.232 17904 3460 1 19 . 1 1 48 48 GLN HA H 42 4.659 4.659 4.479 0.180 17904 3461 1 19 . 1 1 48 48 GLN H H 42 8.725 8.725 8.601 0.124 17904 3462 1 19 . 1 1 49 49 ALA HA H 43 4.141 4.141 4.370 -0.229 17904 3463 1 19 . 1 1 49 49 ALA H H 43 8.725 8.725 7.947 0.778 17904 3464 1 19 . 1 1 50 50 GLU HA H 44 4.281 4.281 4.164 0.117 17904 3465 1 19 . 1 1 50 50 GLU H H 44 8.863 8.863 8.617 0.246 17904 3466 1 19 . 1 1 51 51 GLY H H 45 8.861 8.861 8.644 0.217 17904 3467 1 19 . 1 1 52 52 TYR HA H 46 4.031 4.031 4.257 -0.226 17904 3468 1 19 . 1 1 52 52 TYR H H 46 7.208 7.208 7.186 0.022 17904 3469 1 19 . 1 1 53 53 SER HA H 47 4.411 4.411 4.425 -0.014 17904 3470 1 19 . 1 1 53 53 SER H H 47 7.047 7.047 7.186 -0.139 17904 3471 1 19 . 1 1 54 54 TYR HA H 48 5.260 5.260 4.801 0.459 17904 3472 1 19 . 1 1 54 54 TYR H H 48 8.290 8.290 8.330 -0.040 17904 3473 1 19 . 1 1 55 55 THR HA H 49 4.521 4.521 4.307 0.214 17904 3474 1 19 . 1 1 55 55 THR H H 49 10.374 10.374 8.512 1.862 17904 3475 1 19 . 1 1 56 56 ASP HA H 50 4.131 4.131 4.363 -0.232 17904 3476 1 19 . 1 1 56 56 ASP H H 50 8.689 8.689 8.867 -0.178 17904 3477 1 19 . 1 1 57 57 ALA HA H 51 3.902 3.902 3.944 -0.042 17904 3478 1 19 . 1 1 57 57 ALA H H 51 7.709 7.709 7.930 -0.221 17904 3479 1 19 . 1 1 58 58 ASN HA H 52 4.141 4.141 4.498 -0.357 17904 3480 1 19 . 1 1 58 58 ASN H H 52 8.285 8.285 7.651 0.634 17904 3481 1 19 . 1 1 59 59 ILE HA H 53 3.354 3.354 3.783 -0.429 17904 3482 1 19 . 1 1 59 59 ILE H H 53 7.708 7.708 7.822 -0.114 17904 3483 1 19 . 1 1 60 60 LYS HA H 54 3.874 3.874 4.018 -0.144 17904 3484 1 19 . 1 1 60 60 LYS H H 54 9.160 9.160 8.503 0.657 17904 3485 1 19 . 1 1 61 61 LYS HA H 55 3.834 3.834 4.120 -0.286 17904 3486 1 19 . 1 1 61 61 LYS H H 55 7.484 7.484 7.836 -0.352 17904 3487 1 19 . 1 1 62 62 ASN HA H 56 4.297 4.297 4.332 -0.035 17904 3488 1 19 . 1 1 62 62 ASN H H 56 7.052 7.052 7.651 -0.599 17904 3489 1 19 . 1 1 63 63 VAL HA H 57 3.708 3.708 4.119 -0.411 17904 3490 1 19 . 1 1 63 63 VAL H H 57 7.420 7.420 7.648 -0.228 17904 3491 1 19 . 1 1 64 64 LEU HA H 58 3.841 3.841 4.388 -0.547 17904 3492 1 19 . 1 1 64 64 LEU H H 58 8.346 8.346 8.096 0.250 17904 3493 1 19 . 1 1 65 65 TRP HA H 59 5.061 5.061 4.538 0.523 17904 3494 1 19 . 1 1 65 65 TRP H H 59 8.014 8.014 8.510 -0.496 17904 3495 1 19 . 1 1 66 66 ASP HA H 60 4.982 4.982 5.124 -0.142 17904 3496 1 19 . 1 1 66 66 ASP H H 60 9.639 9.639 8.527 1.112 17904 3497 1 19 . 1 1 67 67 GLU HA H 61 3.665 3.665 4.169 -0.504 17904 3498 1 19 . 1 1 67 67 GLU H H 61 10.320 10.320 8.957 1.363 17904 3499 1 19 . 1 1 68 68 ASN HA H 62 4.621 4.621 4.661 -0.040 17904 3500 1 19 . 1 1 68 68 ASN H H 62 8.337 8.337 8.805 -0.468 17904 3501 1 19 . 1 1 69 69 ASN HA H 63 4.569 4.569 4.588 -0.019 17904 3502 1 19 . 1 1 69 69 ASN H H 63 9.641 9.641 8.439 1.202 17904 3503 1 19 . 1 1 70 70 MET H H 64 9.001 9.001 8.819 0.182 17904 3504 1 19 . 1 1 71 71 SER HA H 65 3.915 3.915 4.241 -0.326 17904 3505 1 19 . 1 1 71 71 SER H H 65 7.867 7.867 8.172 -0.305 17904 3506 1 19 . 1 1 72 72 GLU HA H 66 3.840 3.840 4.238 -0.398 17904 3507 1 19 . 1 1 72 72 GLU H H 66 7.837 7.837 7.779 0.058 17904 3508 1 19 . 1 1 73 73 TYR HA H 67 3.869 3.869 4.706 -0.837 17904 3509 1 19 . 1 1 73 73 TYR H H 67 8.463 8.463 8.292 0.171 17904 3510 1 19 . 1 1 74 74 LEU HA H 68 3.377 3.377 3.918 -0.541 17904 3511 1 19 . 1 1 74 74 LEU H H 68 8.164 8.164 8.171 -0.007 17904 3512 1 19 . 1 1 75 75 THR HA H 69 3.811 3.811 4.188 -0.377 17904 3513 1 19 . 1 1 75 75 THR H H 69 7.428 7.428 7.822 -0.394 17904 3514 1 19 . 1 1 76 76 ASN HA H 70 4.317 4.317 5.097 -0.780 17904 3515 1 19 . 1 1 76 76 ASN H H 70 6.486 6.486 8.524 -2.038 17904 3516 1 19 . 1 1 77 77 HIS HA H 71 4.215 4.215 4.621 -0.406 17904 3517 1 19 . 1 1 77 77 HIS H H 71 9.673 9.673 7.877 1.796 17904 3518 1 19 . 1 1 78 78 ALA HA H 72 3.898 3.898 4.188 -0.290 17904 3519 1 19 . 1 1 78 78 ALA H H 72 7.763 7.763 8.539 -0.776 17904 3520 1 19 . 1 1 79 79 LYS HA H 73 4.214 4.214 4.105 0.109 17904 3521 1 19 . 1 1 79 79 LYS H H 73 7.163 7.163 8.326 -1.163 17904 3522 1 19 . 1 1 80 80 TYR HA H 74 4.093 4.093 4.682 -0.589 17904 3523 1 19 . 1 1 80 80 TYR H H 74 7.351 7.351 8.010 -0.659 17904 3524 1 19 . 1 1 81 81 ILE HA H 75 4.103 4.103 4.461 -0.358 17904 3525 1 19 . 1 1 81 81 ILE H H 75 8.335 8.335 7.235 1.100 17904 3526 1 19 . 1 1 83 83 GLY H H 77 8.794 8.794 8.494 0.300 17904 3527 1 19 . 1 1 84 84 THR HA H 78 4.691 4.691 4.102 0.589 17904 3528 1 19 . 1 1 84 84 THR H H 78 8.171 8.171 7.421 0.750 17904 3529 1 19 . 1 1 85 85 LYS HA H 79 4.293 4.293 4.551 -0.258 17904 3530 1 19 . 1 1 85 85 LYS H H 79 8.790 8.790 8.433 0.357 17904 3531 1 19 . 1 1 86 86 MET HA H 80 3.102 3.102 4.770 -1.668 17904 3532 1 19 . 1 1 86 86 MET H H 80 7.058 7.058 9.049 -1.991 17904 3533 1 19 . 1 1 87 87 ALA HA H 81 4.212 4.212 4.238 -0.026 17904 3534 1 19 . 1 1 87 87 ALA H H 81 8.152 8.152 8.825 -0.673 17904 3535 1 19 . 1 1 88 88 PHE HA H 82 4.369 4.369 4.073 0.296 17904 3536 1 19 . 1 1 88 88 PHE H H 82 6.361 6.361 8.182 -1.821 17904 3537 1 19 . 1 1 90 90 GLY H H 84 8.982 8.982 8.117 0.865 17904 3538 1 19 . 1 1 91 91 LEU H H 85 8.462 8.462 8.350 0.112 17904 3539 1 19 . 1 1 92 92 LYS HA H 86 3.968 3.968 4.078 -0.110 17904 3540 1 19 . 1 1 92 92 LYS H H 86 8.707 8.707 8.541 0.166 17904 3541 1 19 . 1 1 93 93 LYS HA H 87 4.791 4.791 4.509 0.282 17904 3542 1 19 . 1 1 93 93 LYS H H 87 8.984 8.984 7.965 1.019 17904 3543 1 19 . 1 1 94 94 GLU HA H 88 3.847 3.847 3.921 -0.074 17904 3544 1 19 . 1 1 94 94 GLU H H 88 9.115 9.115 8.915 0.200 17904 3545 1 19 . 1 1 95 95 LYS HA H 89 3.968 3.968 4.025 -0.057 17904 3546 1 19 . 1 1 95 95 LYS H H 89 8.809 8.809 8.415 0.394 17904 3547 1 19 . 1 1 96 96 ASP HA H 90 4.019 4.019 4.445 -0.426 17904 3548 1 19 . 1 1 96 96 ASP H H 90 6.540 6.540 7.818 -1.278 17904 3549 1 19 . 1 1 97 97 ARG HA H 91 3.937 3.937 3.934 0.003 17904 3550 1 19 . 1 1 97 97 ARG H H 91 7.653 7.653 7.599 0.054 17904 3551 1 19 . 1 1 98 98 ASN HA H 92 3.970 3.970 4.297 -0.327 17904 3552 1 19 . 1 1 98 98 ASN H H 92 8.843 8.843 8.034 0.809 17904 3553 1 19 . 1 1 99 99 ASP HA H 93 4.262 4.262 4.824 -0.562 17904 3554 1 19 . 1 1 99 99 ASP H H 93 8.850 8.850 7.603 1.247 17904 3555 1 19 . 1 1 100 100 LEU HA H 94 4.250 4.250 4.067 0.183 17904 3556 1 19 . 1 1 100 100 LEU H H 94 8.711 8.711 8.070 0.641 17904 3557 1 19 . 1 1 101 101 ILE HA H 95 3.653 3.653 3.374 0.279 17904 3558 1 19 . 1 1 101 101 ILE H H 95 9.304 9.304 7.864 1.440 17904 3559 1 19 . 1 1 102 102 THR HA H 96 3.890 3.890 4.070 -0.180 17904 3560 1 19 . 1 1 102 102 THR H H 96 8.346 8.346 7.463 0.883 17904 3561 1 19 . 1 1 103 103 TYR HA H 97 4.129 4.129 4.051 0.078 17904 3562 1 19 . 1 1 103 103 TYR H H 97 8.017 8.017 7.569 0.448 17904 3563 1 19 . 1 1 104 104 LEU HA H 98 3.360 3.360 3.673 -0.313 17904 3564 1 19 . 1 1 104 104 LEU H H 98 9.407 9.407 7.617 1.790 17904 3565 1 19 . 1 1 105 105 LYS HA H 99 3.492 3.492 3.353 0.139 17904 3566 1 19 . 1 1 105 105 LYS H H 99 8.846 8.846 7.369 1.477 17904 3567 1 19 . 1 1 106 106 LYS HA H 100 4.123 4.123 3.872 0.251 17904 3568 1 19 . 1 1 106 106 LYS H H 100 6.661 6.661 7.180 -0.519 17904 3569 1 19 . 1 1 107 107 ALA HA H 101 3.931 3.931 3.505 0.426 17904 3570 1 19 . 1 1 107 107 ALA H H 101 8.465 8.465 7.055 1.410 17904 3571 1 19 . 1 1 108 108 THR HA H 102 3.967 3.967 4.298 -0.331 17904 3572 1 19 . 1 1 108 108 THR H H 102 7.385 7.385 7.403 -0.018 17904 3573 1 20 . 1 1 3 3 PHE HA H -3 4.481 4.481 4.640 -0.159 17904 3574 1 20 . 1 1 3 3 PHE H H -3 8.881 8.881 8.591 0.290 17904 3575 1 20 . 1 1 4 4 LYS HA H -2 3.873 3.873 4.213 -0.340 17904 3576 1 20 . 1 1 4 4 LYS H H -2 6.768 6.768 8.494 -1.726 17904 3577 1 20 . 1 1 8 8 SER HA H 2 4.840 4.840 4.804 0.036 17904 3578 1 20 . 1 1 8 8 SER H H 2 9.588 9.588 8.450 1.138 17904 3579 1 20 . 1 1 9 9 ALA HA H 3 4.033 4.033 4.351 -0.318 17904 3580 1 20 . 1 1 9 9 ALA H H 3 7.706 7.706 9.043 -1.337 17904 3581 1 20 . 1 1 10 10 LYS HA H 4 4.329 4.329 4.035 0.294 17904 3582 1 20 . 1 1 10 10 LYS H H 4 8.465 8.465 8.091 0.374 17904 3583 1 20 . 1 1 11 11 LYS HA H 5 4.155 4.155 4.056 0.099 17904 3584 1 20 . 1 1 11 11 LYS H H 5 7.893 7.893 7.570 0.323 17904 3585 1 20 . 1 1 12 12 GLY H H 6 8.906 8.906 8.018 0.888 17904 3586 1 20 . 1 1 13 13 ALA HA H 7 2.418 2.418 3.176 -0.758 17904 3587 1 20 . 1 1 13 13 ALA H H 7 8.157 8.157 8.362 -0.205 17904 3588 1 20 . 1 1 14 14 THR HA H 8 3.940 3.940 3.982 -0.042 17904 3589 1 20 . 1 1 14 14 THR H H 8 7.325 7.325 7.676 -0.351 17904 3590 1 20 . 1 1 15 15 LEU HA H 9 4.109 4.109 4.098 0.011 17904 3591 1 20 . 1 1 15 15 LEU H H 9 8.044 8.044 7.453 0.591 17904 3592 1 20 . 1 1 16 16 PHE HA H 10 4.048 4.048 3.896 0.152 17904 3593 1 20 . 1 1 16 16 PHE H H 10 8.956 8.956 8.447 0.509 17904 3594 1 20 . 1 1 17 17 LYS HA H 11 4.018 4.018 4.055 -0.037 17904 3595 1 20 . 1 1 17 17 LYS H H 11 8.433 8.433 8.395 0.038 17904 3596 1 20 . 1 1 18 18 THR HA H 12 4.305 4.305 4.337 -0.032 17904 3597 1 20 . 1 1 18 18 THR H H 12 8.023 8.023 7.658 0.365 17904 3598 1 20 . 1 1 19 19 ARG HA H 13 5.317 5.317 4.537 0.780 17904 3599 1 20 . 1 1 19 19 ARG H H 13 8.745 8.745 7.493 1.252 17904 3600 1 20 . 1 1 20 20 CYS HA H 14 5.441 5.441 4.579 0.862 17904 3601 1 20 . 1 1 20 20 CYS H H 14 8.022 8.022 8.165 -0.143 17904 3602 1 20 . 1 1 21 21 LEU HA H 15 4.144 4.144 4.608 -0.464 17904 3603 1 20 . 1 1 21 21 LEU H H 15 7.325 7.325 7.728 -0.403 17904 3604 1 20 . 1 1 22 22 GLN HA H 16 4.004 4.004 4.047 -0.043 17904 3605 1 20 . 1 1 22 22 GLN H H 16 9.109 9.109 8.220 0.889 17904 3606 1 20 . 1 1 23 23 CYS HA H 17 4.341 4.341 4.559 -0.218 17904 3607 1 20 . 1 1 23 23 CYS H H 17 7.154 7.154 7.950 -0.796 17904 3608 1 20 . 1 1 24 24 HIS HA H 18 3.530 3.530 4.436 -0.906 17904 3609 1 20 . 1 1 24 24 HIS H H 18 6.626 6.626 8.662 -2.036 17904 3610 1 20 . 1 1 25 25 THR HA H 19 4.514 4.514 4.090 0.424 17904 3611 1 20 . 1 1 25 25 THR H H 19 7.223 7.223 8.216 -0.993 17904 3612 1 20 . 1 1 26 26 VAL HA H 20 4.085 4.085 4.234 -0.149 17904 3613 1 20 . 1 1 26 26 VAL H H 20 8.015 8.015 9.111 -1.096 17904 3614 1 20 . 1 1 27 27 GLU HA H 21 4.158 4.158 4.228 -0.070 17904 3615 1 20 . 1 1 27 27 GLU H H 21 8.343 8.343 8.636 -0.293 17904 3616 1 20 . 1 1 28 28 LYS HA H 22 3.149 3.149 4.047 -0.898 17904 3617 1 20 . 1 1 28 28 LYS H H 22 8.673 8.673 8.107 0.566 17904 3618 1 20 . 1 1 29 29 GLY H H 23 9.308 9.308 8.613 0.695 17904 3619 1 20 . 1 1 30 30 GLY H H 24 7.977 7.977 8.110 -0.133 17904 3620 1 20 . 1 1 31 31 PRO HA H 25 4.131 4.131 4.118 0.013 17904 3621 1 20 . 1 1 32 32 HIS HA H 26 4.261 4.261 4.687 -0.426 17904 3622 1 20 . 1 1 32 32 HIS H H 26 8.337 8.337 8.317 0.020 17904 3623 1 20 . 1 1 33 33 LYS HA H 27 4.197 4.197 4.569 -0.372 17904 3624 1 20 . 1 1 33 33 LYS H H 27 7.722 7.722 8.053 -0.331 17904 3625 1 20 . 1 1 34 34 VAL HA H 28 3.969 3.969 3.920 0.049 17904 3626 1 20 . 1 1 34 34 VAL H H 28 7.175 7.175 8.346 -1.171 17904 3627 1 20 . 1 1 35 35 GLY H H 29 7.759 7.759 7.481 0.278 17904 3628 1 20 . 1 1 36 36 PRO HA H 30 3.538 3.538 3.948 -0.410 17904 3629 1 20 . 1 1 37 37 ASN HA H 31 3.932 3.932 4.657 -0.725 17904 3630 1 20 . 1 1 37 37 ASN H H 31 10.796 10.796 9.001 1.795 17904 3631 1 20 . 1 1 38 38 LEU HA H 32 3.935 3.935 4.099 -0.164 17904 3632 1 20 . 1 1 38 38 LEU H H 32 7.881 7.881 8.392 -0.511 17904 3633 1 20 . 1 1 39 39 HIS HA H 33 3.866 3.866 4.798 -0.932 17904 3634 1 20 . 1 1 39 39 HIS H H 33 7.395 7.395 8.292 -0.897 17904 3635 1 20 . 1 1 40 40 GLY H H 34 9.005 9.005 8.514 0.491 17904 3636 1 20 . 1 1 41 41 ILE HA H 35 3.968 3.968 3.677 0.291 17904 3637 1 20 . 1 1 41 41 ILE H H 35 7.217 7.217 7.832 -0.615 17904 3638 1 20 . 1 1 42 42 PHE HA H 36 4.306 4.306 4.615 -0.309 17904 3639 1 20 . 1 1 42 42 PHE H H 36 7.890 7.890 7.696 0.194 17904 3640 1 20 . 1 1 43 43 GLY H H 37 8.792 8.792 8.318 0.474 17904 3641 1 20 . 1 1 44 44 ARG HA H 38 4.851 4.851 4.640 0.211 17904 3642 1 20 . 1 1 44 44 ARG H H 38 7.974 7.974 8.201 -0.227 17904 3643 1 20 . 1 1 45 45 HIS HA H 39 5.616 5.616 4.310 1.306 17904 3644 1 20 . 1 1 45 45 HIS H H 39 7.894 7.894 7.599 0.295 17904 3645 1 20 . 1 1 46 46 SER HA H 40 5.060 5.060 4.378 0.682 17904 3646 1 20 . 1 1 46 46 SER H H 40 8.779 8.779 8.307 0.471 17904 3647 1 20 . 1 1 47 47 GLY H H 41 8.279 8.279 8.332 -0.053 17904 3648 1 20 . 1 1 48 48 GLN HA H 42 4.659 4.659 4.421 0.238 17904 3649 1 20 . 1 1 48 48 GLN H H 42 8.725 8.725 8.282 0.443 17904 3650 1 20 . 1 1 49 49 ALA HA H 43 4.141 4.141 4.231 -0.090 17904 3651 1 20 . 1 1 49 49 ALA H H 43 8.725 8.725 7.942 0.783 17904 3652 1 20 . 1 1 50 50 GLU HA H 44 4.281 4.281 4.066 0.215 17904 3653 1 20 . 1 1 50 50 GLU H H 44 8.863 8.863 8.737 0.126 17904 3654 1 20 . 1 1 51 51 GLY H H 45 8.861 8.861 8.420 0.441 17904 3655 1 20 . 1 1 52 52 TYR HA H 46 4.031 4.031 4.302 -0.271 17904 3656 1 20 . 1 1 52 52 TYR H H 46 7.208 7.208 7.322 -0.114 17904 3657 1 20 . 1 1 53 53 SER HA H 47 4.411 4.411 4.370 0.041 17904 3658 1 20 . 1 1 53 53 SER H H 47 7.047 7.047 7.344 -0.297 17904 3659 1 20 . 1 1 54 54 TYR HA H 48 5.260 5.260 4.775 0.485 17904 3660 1 20 . 1 1 54 54 TYR H H 48 8.290 8.290 8.319 -0.029 17904 3661 1 20 . 1 1 55 55 THR HA H 49 4.521 4.521 4.342 0.179 17904 3662 1 20 . 1 1 55 55 THR H H 49 10.374 10.374 8.508 1.866 17904 3663 1 20 . 1 1 56 56 ASP HA H 50 4.131 4.131 4.359 -0.228 17904 3664 1 20 . 1 1 56 56 ASP H H 50 8.689 8.689 8.849 -0.160 17904 3665 1 20 . 1 1 57 57 ALA HA H 51 3.902 3.902 3.919 -0.017 17904 3666 1 20 . 1 1 57 57 ALA H H 51 7.709 7.709 7.931 -0.222 17904 3667 1 20 . 1 1 58 58 ASN HA H 52 4.141 4.141 4.453 -0.312 17904 3668 1 20 . 1 1 58 58 ASN H H 52 8.285 8.285 7.611 0.674 17904 3669 1 20 . 1 1 59 59 ILE HA H 53 3.354 3.354 3.858 -0.504 17904 3670 1 20 . 1 1 59 59 ILE H H 53 7.708 7.708 7.489 0.219 17904 3671 1 20 . 1 1 60 60 LYS HA H 54 3.874 3.874 3.981 -0.107 17904 3672 1 20 . 1 1 60 60 LYS H H 54 9.160 9.160 8.572 0.588 17904 3673 1 20 . 1 1 61 61 LYS HA H 55 3.834 3.834 4.093 -0.259 17904 3674 1 20 . 1 1 61 61 LYS H H 55 7.484 7.484 7.890 -0.406 17904 3675 1 20 . 1 1 62 62 ASN HA H 56 4.297 4.297 4.314 -0.017 17904 3676 1 20 . 1 1 62 62 ASN H H 56 7.052 7.052 7.716 -0.664 17904 3677 1 20 . 1 1 63 63 VAL HA H 57 3.708 3.708 4.135 -0.427 17904 3678 1 20 . 1 1 63 63 VAL H H 57 7.420 7.420 7.210 0.210 17904 3679 1 20 . 1 1 64 64 LEU HA H 58 3.841 3.841 4.466 -0.625 17904 3680 1 20 . 1 1 64 64 LEU H H 58 8.346 8.346 8.110 0.236 17904 3681 1 20 . 1 1 65 65 TRP HA H 59 5.061 5.061 4.551 0.510 17904 3682 1 20 . 1 1 65 65 TRP H H 59 8.014 8.014 8.477 -0.463 17904 3683 1 20 . 1 1 66 66 ASP HA H 60 4.982 4.982 5.014 -0.032 17904 3684 1 20 . 1 1 66 66 ASP H H 60 9.639 9.639 8.447 1.192 17904 3685 1 20 . 1 1 67 67 GLU HA H 61 3.665 3.665 4.074 -0.409 17904 3686 1 20 . 1 1 67 67 GLU H H 61 10.320 10.320 8.899 1.421 17904 3687 1 20 . 1 1 68 68 ASN HA H 62 4.621 4.621 4.528 0.093 17904 3688 1 20 . 1 1 68 68 ASN H H 62 8.337 8.337 8.397 -0.060 17904 3689 1 20 . 1 1 69 69 ASN HA H 63 4.569 4.569 4.577 -0.008 17904 3690 1 20 . 1 1 69 69 ASN H H 63 9.641 9.641 8.473 1.168 17904 3691 1 20 . 1 1 70 70 MET H H 64 9.001 9.001 8.242 0.759 17904 3692 1 20 . 1 1 71 71 SER HA H 65 3.915 3.915 4.135 -0.220 17904 3693 1 20 . 1 1 71 71 SER H H 65 7.867 7.867 7.793 0.074 17904 3694 1 20 . 1 1 72 72 GLU HA H 66 3.840 3.840 4.210 -0.370 17904 3695 1 20 . 1 1 72 72 GLU H H 66 7.837 7.837 7.616 0.221 17904 3696 1 20 . 1 1 73 73 TYR HA H 67 3.869 3.869 4.558 -0.689 17904 3697 1 20 . 1 1 73 73 TYR H H 67 8.463 8.463 8.200 0.263 17904 3698 1 20 . 1 1 74 74 LEU HA H 68 3.377 3.377 3.718 -0.341 17904 3699 1 20 . 1 1 74 74 LEU H H 68 8.164 8.164 7.990 0.174 17904 3700 1 20 . 1 1 75 75 THR HA H 69 3.811 3.811 4.187 -0.376 17904 3701 1 20 . 1 1 75 75 THR H H 69 7.428 7.428 7.872 -0.444 17904 3702 1 20 . 1 1 76 76 ASN HA H 70 4.317 4.317 4.899 -0.582 17904 3703 1 20 . 1 1 76 76 ASN H H 70 6.486 6.486 8.480 -1.994 17904 3704 1 20 . 1 1 77 77 HIS HA H 71 4.215 4.215 4.869 -0.654 17904 3705 1 20 . 1 1 77 77 HIS H H 71 9.673 9.673 8.337 1.336 17904 3706 1 20 . 1 1 78 78 ALA HA H 72 3.898 3.898 4.407 -0.509 17904 3707 1 20 . 1 1 78 78 ALA H H 72 7.763 7.763 7.860 -0.097 17904 3708 1 20 . 1 1 79 79 LYS HA H 73 4.214 4.214 3.993 0.221 17904 3709 1 20 . 1 1 79 79 LYS H H 73 7.163 7.163 8.380 -1.217 17904 3710 1 20 . 1 1 80 80 TYR HA H 74 4.093 4.093 4.254 -0.161 17904 3711 1 20 . 1 1 80 80 TYR H H 74 7.351 7.351 8.060 -0.709 17904 3712 1 20 . 1 1 81 81 ILE HA H 75 4.103 4.103 4.320 -0.217 17904 3713 1 20 . 1 1 81 81 ILE H H 75 8.335 8.335 7.171 1.164 17904 3714 1 20 . 1 1 83 83 GLY H H 77 8.794 8.794 8.466 0.328 17904 3715 1 20 . 1 1 84 84 THR HA H 78 4.691 4.691 4.111 0.580 17904 3716 1 20 . 1 1 84 84 THR H H 78 8.171 8.171 7.577 0.594 17904 3717 1 20 . 1 1 85 85 LYS HA H 79 4.293 4.293 4.646 -0.353 17904 3718 1 20 . 1 1 85 85 LYS H H 79 8.790 8.790 8.430 0.360 17904 3719 1 20 . 1 1 86 86 MET HA H 80 3.102 3.102 4.764 -1.662 17904 3720 1 20 . 1 1 86 86 MET H H 80 7.058 7.058 8.647 -1.589 17904 3721 1 20 . 1 1 87 87 ALA HA H 81 4.212 4.212 4.581 -0.369 17904 3722 1 20 . 1 1 87 87 ALA H H 81 8.152 8.152 8.510 -0.358 17904 3723 1 20 . 1 1 88 88 PHE HA H 82 4.369 4.369 4.540 -0.171 17904 3724 1 20 . 1 1 88 88 PHE H H 82 6.361 6.361 7.922 -1.561 17904 3725 1 20 . 1 1 90 90 GLY H H 84 8.982 8.982 7.995 0.987 17904 3726 1 20 . 1 1 91 91 LEU H H 85 8.462 8.462 8.435 0.027 17904 3727 1 20 . 1 1 92 92 LYS HA H 86 3.968 3.968 4.118 -0.150 17904 3728 1 20 . 1 1 92 92 LYS H H 86 8.707 8.707 8.641 0.066 17904 3729 1 20 . 1 1 93 93 LYS HA H 87 4.791 4.791 4.548 0.243 17904 3730 1 20 . 1 1 93 93 LYS H H 87 8.984 8.984 8.053 0.931 17904 3731 1 20 . 1 1 94 94 GLU HA H 88 3.847 3.847 3.957 -0.110 17904 3732 1 20 . 1 1 94 94 GLU H H 88 9.115 9.115 9.127 -0.012 17904 3733 1 20 . 1 1 95 95 LYS HA H 89 3.968 3.968 4.217 -0.249 17904 3734 1 20 . 1 1 95 95 LYS H H 89 8.809 8.809 8.324 0.485 17904 3735 1 20 . 1 1 96 96 ASP HA H 90 4.019 4.019 4.436 -0.417 17904 3736 1 20 . 1 1 96 96 ASP H H 90 6.540 6.540 7.852 -1.312 17904 3737 1 20 . 1 1 97 97 ARG HA H 91 3.937 3.937 3.993 -0.056 17904 3738 1 20 . 1 1 97 97 ARG H H 91 7.653 7.653 7.596 0.057 17904 3739 1 20 . 1 1 98 98 ASN HA H 92 3.970 3.970 4.598 -0.628 17904 3740 1 20 . 1 1 98 98 ASN H H 92 8.843 8.843 7.934 0.909 17904 3741 1 20 . 1 1 99 99 ASP HA H 93 4.262 4.262 4.513 -0.251 17904 3742 1 20 . 1 1 99 99 ASP H H 93 8.850 8.850 7.574 1.276 17904 3743 1 20 . 1 1 100 100 LEU HA H 94 4.250 4.250 3.952 0.298 17904 3744 1 20 . 1 1 100 100 LEU H H 94 8.711 8.711 7.605 1.106 17904 3745 1 20 . 1 1 101 101 ILE HA H 95 3.653 3.653 3.428 0.225 17904 3746 1 20 . 1 1 101 101 ILE H H 95 9.304 9.304 7.660 1.644 17904 3747 1 20 . 1 1 102 102 THR HA H 96 3.890 3.890 4.072 -0.182 17904 3748 1 20 . 1 1 102 102 THR H H 96 8.346 8.346 7.911 0.435 17904 3749 1 20 . 1 1 103 103 TYR HA H 97 4.129 4.129 4.042 0.088 17904 3750 1 20 . 1 1 103 103 TYR H H 97 8.017 8.017 8.286 -0.269 17904 3751 1 20 . 1 1 104 104 LEU HA H 98 3.360 3.360 3.725 -0.365 17904 3752 1 20 . 1 1 104 104 LEU H H 98 9.407 9.407 8.337 1.070 17904 3753 1 20 . 1 1 105 105 LYS HA H 99 3.492 3.492 3.301 0.191 17904 3754 1 20 . 1 1 105 105 LYS H H 99 8.846 8.846 7.153 1.693 17904 3755 1 20 . 1 1 106 106 LYS HA H 100 4.123 4.123 3.875 0.248 17904 3756 1 20 . 1 1 106 106 LYS H H 100 6.661 6.661 7.196 -0.535 17904 3757 1 20 . 1 1 107 107 ALA HA H 101 3.931 3.931 4.142 -0.211 17904 3758 1 20 . 1 1 107 107 ALA H H 101 8.465 8.465 6.997 1.468 17904 3759 1 20 . 1 1 108 108 THR HA H 102 3.967 3.967 4.368 -0.401 17904 3760 1 20 . 1 1 108 108 THR H H 102 7.385 7.385 7.577 -0.192 17904 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 0 0.000 0.000 0.000 17904 2 1 1 "Average Difference" HA 105 0.606 0.131 0.595 17904 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17904 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 17904 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 17904 6 1 1 "Average Difference" HN 99 0.887 -0.119 0.883 17904 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 17904 8 1 2 "Average Difference" HA 105 0.618 0.160 0.600 17904 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17904 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 17904 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 17904 12 1 2 "Average Difference" HN 99 0.847 -0.128 0.842 17904 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 17904 14 1 3 "Average Difference" HA 105 0.614 0.122 0.605 17904 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17904 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 17904 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 17904 18 1 3 "Average Difference" HN 99 0.889 -0.102 0.888 17904 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 17904 20 1 4 "Average Difference" HA 105 0.615 0.143 0.601 17904 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17904 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 17904 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 17904 24 1 4 "Average Difference" HN 99 0.888 -0.127 0.884 17904 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 17904 26 1 5 "Average Difference" HA 105 0.616 0.143 0.602 17904 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17904 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 17904 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 17904 30 1 5 "Average Difference" HN 99 0.871 -0.100 0.870 17904 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 17904 32 1 6 "Average Difference" HA 105 0.596 0.135 0.583 17904 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17904 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 17904 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 17904 36 1 6 "Average Difference" HN 99 0.885 -0.116 0.882 17904 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 17904 38 1 7 "Average Difference" HA 105 0.572 0.138 0.558 17904 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17904 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 17904 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 17904 42 1 7 "Average Difference" HN 99 0.869 -0.125 0.864 17904 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 17904 44 1 8 "Average Difference" HA 105 0.610 0.165 0.590 17904 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17904 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 17904 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 17904 48 1 8 "Average Difference" HN 99 0.880 -0.125 0.876 17904 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 17904 50 1 9 "Average Difference" HA 105 0.602 0.138 0.589 17904 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17904 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 17904 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 17904 54 1 9 "Average Difference" HN 99 0.894 -0.092 0.893 17904 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 17904 56 1 10 "Average Difference" HA 105 0.624 0.142 0.611 17904 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17904 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 17904 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 17904 60 1 10 "Average Difference" HN 99 0.884 -0.130 0.878 17904 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 17904 62 1 11 "Average Difference" HA 105 0.603 0.143 0.588 17904 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17904 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 17904 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 17904 66 1 11 "Average Difference" HN 99 0.828 -0.101 0.826 17904 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 17904 68 1 12 "Average Difference" HA 105 0.605 0.150 0.589 17904 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17904 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 17904 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 17904 72 1 12 "Average Difference" HN 99 0.871 -0.087 0.871 17904 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 17904 74 1 13 "Average Difference" HA 105 0.615 0.120 0.606 17904 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17904 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 17904 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 17904 78 1 13 "Average Difference" HN 99 0.844 -0.128 0.839 17904 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 17904 80 1 14 "Average Difference" HA 105 0.580 0.150 0.563 17904 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17904 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 17904 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 17904 84 1 14 "Average Difference" HN 99 0.861 -0.131 0.855 17904 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 17904 86 1 15 "Average Difference" HA 105 0.626 0.149 0.611 17904 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17904 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 17904 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 17904 90 1 15 "Average Difference" HN 99 0.886 -0.161 0.875 17904 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 17904 92 1 16 "Average Difference" HA 105 0.603 0.158 0.584 17904 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17904 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 17904 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 17904 96 1 16 "Average Difference" HN 99 0.885 -0.083 0.885 17904 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 17904 98 1 17 "Average Difference" HA 105 0.588 0.133 0.575 17904 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17904 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 17904 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 17904 102 1 17 "Average Difference" HN 99 0.876 -0.107 0.874 17904 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 17904 104 1 18 "Average Difference" HA 105 0.579 0.139 0.565 17904 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17904 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 17904 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 17904 108 1 18 "Average Difference" HN 99 0.864 -0.093 0.864 17904 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 17904 110 1 19 "Average Difference" HA 105 0.629 0.162 0.611 17904 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17904 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 17904 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 17904 114 1 19 "Average Difference" HN 99 0.874 -0.111 0.871 17904 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 17904 116 1 20 "Average Difference" HA 105 0.611 0.176 0.588 17904 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17904 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 17904 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 17904 120 1 20 "Average Difference" HN 99 0.838 -0.128 0.832 17904 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 17904 _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 3 3 PHE HA H -3 4.481 4.481 4.732 -0.251 17904 2 1 . 1 1 3 3 PHE H H -3 8.881 8.881 8.265 0.616 17904 3 1 . 1 1 4 4 LYS HA H -2 3.873 3.873 4.160 -0.287 17904 4 1 . 1 1 4 4 LYS H H -2 6.768 6.768 8.578 -1.810 17904 5 1 . 1 1 8 8 SER HA H 2 4.840 4.840 4.785 0.055 17904 6 1 . 1 1 8 8 SER H H 2 9.588 9.588 8.381 1.207 17904 7 1 . 1 1 9 9 ALA HA H 3 4.033 4.033 4.343 -0.310 17904 8 1 . 1 1 9 9 ALA H H 3 7.706 7.706 8.993 -1.287 17904 9 1 . 1 1 10 10 LYS HA H 4 4.329 4.329 4.035 0.294 17904 10 1 . 1 1 10 10 LYS H H 4 8.465 8.465 8.312 0.153 17904 11 1 . 1 1 11 11 LYS HA H 5 4.155 4.155 4.060 0.095 17904 12 1 . 1 1 11 11 LYS H H 5 7.893 7.893 7.802 0.091 17904 13 1 . 1 1 12 12 GLY H H 6 8.906 8.906 7.889 1.017 17904 14 1 . 1 1 13 13 ALA HA H 7 2.418 2.418 3.154 -0.736 17904 15 1 . 1 1 13 13 ALA H H 7 8.157 8.157 8.478 -0.321 17904 16 1 . 1 1 14 14 THR HA H 8 3.940 3.940 3.963 -0.023 17904 17 1 . 1 1 14 14 THR H H 8 7.325 7.325 7.684 -0.359 17904 18 1 . 1 1 15 15 LEU HA H 9 4.109 4.109 4.089 0.020 17904 19 1 . 1 1 15 15 LEU H H 9 8.044 8.044 7.507 0.537 17904 20 1 . 1 1 16 16 PHE HA H 10 4.048 4.048 3.961 0.087 17904 21 1 . 1 1 16 16 PHE H H 10 8.956 8.956 8.632 0.324 17904 22 1 . 1 1 17 17 LYS HA H 11 4.018 4.018 4.065 -0.047 17904 23 1 . 1 1 17 17 LYS H H 11 8.433 8.433 8.448 -0.015 17904 24 1 . 1 1 18 18 THR HA H 12 4.305 4.305 4.311 -0.006 17904 25 1 . 1 1 18 18 THR H H 12 8.023 8.023 7.929 0.094 17904 26 1 . 1 1 19 19 ARG HA H 13 5.317 5.317 4.558 0.759 17904 27 1 . 1 1 19 19 ARG H H 13 8.745 8.745 7.604 1.141 17904 28 1 . 1 1 20 20 CYS HA H 14 5.441 5.441 4.373 1.068 17904 29 1 . 1 1 20 20 CYS H H 14 8.022 8.022 8.305 -0.283 17904 30 1 . 1 1 21 21 LEU HA H 15 4.144 4.144 4.345 -0.201 17904 31 1 . 1 1 21 21 LEU H H 15 7.325 7.325 7.731 -0.406 17904 32 1 . 1 1 22 22 GLN HA H 16 4.004 4.004 4.065 -0.061 17904 33 1 . 1 1 22 22 GLN H H 16 9.109 9.109 8.315 0.794 17904 34 1 . 1 1 23 23 CYS HA H 17 4.341 4.341 4.502 -0.161 17904 35 1 . 1 1 23 23 CYS H H 17 7.154 7.154 7.721 -0.567 17904 36 1 . 1 1 24 24 HIS HA H 18 3.530 3.530 4.642 -1.112 17904 37 1 . 1 1 24 24 HIS H H 18 6.626 6.626 8.386 -1.760 17904 38 1 . 1 1 25 25 THR HA H 19 4.514 4.514 4.143 0.371 17904 39 1 . 1 1 25 25 THR H H 19 7.223 7.223 8.182 -0.959 17904 40 1 . 1 1 26 26 VAL HA H 20 4.085 4.085 4.062 0.023 17904 41 1 . 1 1 26 26 VAL H H 20 8.015 8.015 8.683 -0.668 17904 42 1 . 1 1 27 27 GLU HA H 21 4.158 4.158 4.169 -0.011 17904 43 1 . 1 1 27 27 GLU H H 21 8.343 8.343 8.343 0.000 17904 44 1 . 1 1 28 28 LYS HA H 22 3.149 3.149 3.672 -0.523 17904 45 1 . 1 1 28 28 LYS H H 22 8.673 8.673 8.099 0.574 17904 46 1 . 1 1 29 29 GLY H H 23 9.308 9.308 8.207 1.101 17904 47 1 . 1 1 30 30 GLY H H 24 7.977 7.977 7.784 0.194 17904 48 1 . 1 1 31 31 PRO HA H 25 4.131 4.131 4.207 -0.076 17904 49 1 . 1 1 32 32 HIS HA H 26 4.261 4.261 4.535 -0.274 17904 50 1 . 1 1 32 32 HIS H H 26 8.337 8.337 8.458 -0.121 17904 51 1 . 1 1 33 33 LYS HA H 27 4.197 4.197 4.325 -0.128 17904 52 1 . 1 1 33 33 LYS H H 27 7.722 7.722 7.998 -0.276 17904 53 1 . 1 1 34 34 VAL HA H 28 3.969 3.969 3.967 0.002 17904 54 1 . 1 1 34 34 VAL H H 28 7.175 7.175 8.326 -1.151 17904 55 1 . 1 1 35 35 GLY H H 29 7.759 7.759 7.512 0.247 17904 56 1 . 1 1 36 36 PRO HA H 30 3.538 3.538 4.037 -0.499 17904 57 1 . 1 1 37 37 ASN HA H 31 3.932 3.932 4.598 -0.666 17904 58 1 . 1 1 37 37 ASN H H 31 10.796 10.796 8.993 1.803 17904 59 1 . 1 1 38 38 LEU HA H 32 3.935 3.935 4.042 -0.107 17904 60 1 . 1 1 38 38 LEU H H 32 7.881 7.881 8.521 -0.640 17904 61 1 . 1 1 39 39 HIS HA H 33 3.866 3.866 4.757 -0.891 17904 62 1 . 1 1 39 39 HIS H H 33 7.395 7.395 8.443 -1.048 17904 63 1 . 1 1 40 40 GLY H H 34 9.005 9.005 8.412 0.593 17904 64 1 . 1 1 41 41 ILE HA H 35 3.968 3.968 3.755 0.213 17904 65 1 . 1 1 41 41 ILE H H 35 7.217 7.217 7.893 -0.676 17904 66 1 . 1 1 42 42 PHE HA H 36 4.306 4.306 4.691 -0.385 17904 67 1 . 1 1 42 42 PHE H H 36 7.890 7.890 7.657 0.233 17904 68 1 . 1 1 43 43 GLY H H 37 8.792 8.792 8.311 0.481 17904 69 1 . 1 1 44 44 ARG HA H 38 4.851 4.851 4.351 0.500 17904 70 1 . 1 1 44 44 ARG H H 38 7.974 7.974 8.382 -0.408 17904 71 1 . 1 1 45 45 HIS HA H 39 5.616 5.616 4.426 1.190 17904 72 1 . 1 1 45 45 HIS H H 39 7.894 7.894 8.046 -0.152 17904 73 1 . 1 1 46 46 SER HA H 40 5.060 5.060 4.410 0.650 17904 74 1 . 1 1 46 46 SER H H 40 8.779 8.779 8.309 0.470 17904 75 1 . 1 1 47 47 GLY H H 41 8.279 8.279 8.532 -0.253 17904 76 1 . 1 1 48 48 GLN HA H 42 4.659 4.659 4.334 0.325 17904 77 1 . 1 1 48 48 GLN H H 42 8.725 8.725 8.272 0.453 17904 78 1 . 1 1 49 49 ALA HA H 43 4.141 4.141 4.450 -0.309 17904 79 1 . 1 1 49 49 ALA H H 43 8.725 8.725 8.152 0.573 17904 80 1 . 1 1 50 50 GLU HA H 44 4.281 4.281 4.124 0.157 17904 81 1 . 1 1 50 50 GLU H H 44 8.863 8.863 8.942 -0.079 17904 82 1 . 1 1 51 51 GLY H H 45 8.861 8.861 8.301 0.560 17904 83 1 . 1 1 52 52 TYR HA H 46 4.031 4.031 4.159 -0.128 17904 84 1 . 1 1 52 52 TYR H H 46 7.208 7.208 6.894 0.314 17904 85 1 . 1 1 53 53 SER HA H 47 4.411 4.411 4.391 0.020 17904 86 1 . 1 1 53 53 SER H H 47 7.047 7.047 7.207 -0.160 17904 87 1 . 1 1 54 54 TYR HA H 48 5.260 5.260 4.734 0.526 17904 88 1 . 1 1 54 54 TYR H H 48 8.290 8.290 8.369 -0.079 17904 89 1 . 1 1 55 55 THR HA H 49 4.521 4.521 4.257 0.264 17904 90 1 . 1 1 55 55 THR H H 49 10.374 10.374 8.425 1.949 17904 91 1 . 1 1 56 56 ASP HA H 50 4.131 4.131 4.337 -0.206 17904 92 1 . 1 1 56 56 ASP H H 50 8.689 8.689 8.696 -0.007 17904 93 1 . 1 1 57 57 ALA HA H 51 3.902 3.902 3.938 -0.036 17904 94 1 . 1 1 57 57 ALA H H 51 7.709 7.709 8.075 -0.366 17904 95 1 . 1 1 58 58 ASN HA H 52 4.141 4.141 4.446 -0.305 17904 96 1 . 1 1 58 58 ASN H H 52 8.285 8.285 7.966 0.319 17904 97 1 . 1 1 59 59 ILE HA H 53 3.354 3.354 3.771 -0.417 17904 98 1 . 1 1 59 59 ILE H H 53 7.708 7.708 7.638 0.070 17904 99 1 . 1 1 60 60 LYS HA H 54 3.874 3.874 3.997 -0.123 17904 100 1 . 1 1 60 60 LYS H H 54 9.160 9.160 8.440 0.720 17904 101 1 . 1 1 61 61 LYS HA H 55 3.834 3.834 4.122 -0.288 17904 102 1 . 1 1 61 61 LYS H H 55 7.484 7.484 7.742 -0.258 17904 103 1 . 1 1 62 62 ASN HA H 56 4.297 4.297 4.233 0.064 17904 104 1 . 1 1 62 62 ASN H H 56 7.052 7.052 7.821 -0.769 17904 105 1 . 1 1 63 63 VAL HA H 57 3.708 3.708 4.126 -0.418 17904 106 1 . 1 1 63 63 VAL H H 57 7.420 7.420 7.735 -0.315 17904 107 1 . 1 1 64 64 LEU HA H 58 3.841 3.841 4.449 -0.608 17904 108 1 . 1 1 64 64 LEU H H 58 8.346 8.346 8.015 0.331 17904 109 1 . 1 1 65 65 TRP HA H 59 5.061 5.061 4.490 0.571 17904 110 1 . 1 1 65 65 TRP H H 59 8.014 8.014 8.357 -0.343 17904 111 1 . 1 1 66 66 ASP HA H 60 4.982 4.982 5.114 -0.132 17904 112 1 . 1 1 66 66 ASP H H 60 9.639 9.639 8.389 1.250 17904 113 1 . 1 1 67 67 GLU HA H 61 3.665 3.665 4.125 -0.460 17904 114 1 . 1 1 67 67 GLU H H 61 10.320 10.320 8.937 1.383 17904 115 1 . 1 1 68 68 ASN HA H 62 4.621 4.621 4.599 0.022 17904 116 1 . 1 1 68 68 ASN H H 62 8.337 8.337 8.533 -0.196 17904 117 1 . 1 1 69 69 ASN HA H 63 4.569 4.569 4.558 0.011 17904 118 1 . 1 1 69 69 ASN H H 63 9.641 9.641 8.618 1.023 17904 119 1 . 1 1 70 70 MET H H 64 9.001 9.001 8.613 0.388 17904 120 1 . 1 1 71 71 SER HA H 65 3.915 3.915 4.141 -0.226 17904 121 1 . 1 1 71 71 SER H H 65 7.867 7.867 7.925 -0.057 17904 122 1 . 1 1 72 72 GLU HA H 66 3.840 3.840 4.269 -0.429 17904 123 1 . 1 1 72 72 GLU H H 66 7.837 7.837 7.674 0.163 17904 124 1 . 1 1 73 73 TYR HA H 67 3.869 3.869 4.534 -0.665 17904 125 1 . 1 1 73 73 TYR H H 67 8.463 8.463 8.294 0.169 17904 126 1 . 1 1 74 74 LEU HA H 68 3.377 3.377 3.669 -0.292 17904 127 1 . 1 1 74 74 LEU H H 68 8.164 8.164 7.932 0.232 17904 128 1 . 1 1 75 75 THR HA H 69 3.811 3.811 4.144 -0.333 17904 129 1 . 1 1 75 75 THR H H 69 7.428 7.428 7.920 -0.492 17904 130 1 . 1 1 76 76 ASN HA H 70 4.317 4.317 5.014 -0.697 17904 131 1 . 1 1 76 76 ASN H H 70 6.486 6.486 8.457 -1.971 17904 132 1 . 1 1 77 77 HIS HA H 71 4.215 4.215 5.001 -0.786 17904 133 1 . 1 1 77 77 HIS H H 71 9.673 9.673 8.172 1.500 17904 134 1 . 1 1 78 78 ALA HA H 72 3.898 3.898 4.265 -0.367 17904 135 1 . 1 1 78 78 ALA H H 72 7.763 7.763 8.385 -0.622 17904 136 1 . 1 1 79 79 LYS HA H 73 4.214 4.214 4.065 0.149 17904 137 1 . 1 1 79 79 LYS H H 73 7.163 7.163 8.422 -1.259 17904 138 1 . 1 1 80 80 TYR HA H 74 4.093 4.093 4.379 -0.286 17904 139 1 . 1 1 80 80 TYR H H 74 7.351 7.351 7.998 -0.647 17904 140 1 . 1 1 81 81 ILE HA H 75 4.103 4.103 4.334 -0.231 17904 141 1 . 1 1 81 81 ILE H H 75 8.335 8.335 7.237 1.098 17904 142 1 . 1 1 83 83 GLY H H 77 8.794 8.794 8.537 0.257 17904 143 1 . 1 1 84 84 THR HA H 78 4.691 4.691 4.153 0.538 17904 144 1 . 1 1 84 84 THR H H 78 8.171 8.171 7.653 0.518 17904 145 1 . 1 1 85 85 LYS HA H 79 4.293 4.293 4.487 -0.194 17904 146 1 . 1 1 85 85 LYS H H 79 8.790 8.790 8.450 0.340 17904 147 1 . 1 1 86 86 MET HA H 80 3.102 3.102 4.634 -1.532 17904 148 1 . 1 1 86 86 MET H H 80 7.058 7.058 8.626 -1.568 17904 149 1 . 1 1 87 87 ALA HA H 81 4.212 4.212 4.217 -0.005 17904 150 1 . 1 1 87 87 ALA H H 81 8.152 8.152 8.572 -0.420 17904 151 1 . 1 1 88 88 PHE HA H 82 4.369 4.369 4.229 0.140 17904 152 1 . 1 1 88 88 PHE H H 82 6.361 6.361 8.043 -1.682 17904 153 1 . 1 1 90 90 GLY H H 84 8.982 8.982 7.862 1.120 17904 154 1 . 1 1 91 91 LEU H H 85 8.462 8.462 8.323 0.139 17904 155 1 . 1 1 92 92 LYS HA H 86 3.968 3.968 4.057 -0.089 17904 156 1 . 1 1 92 92 LYS H H 86 8.707 8.707 8.565 0.142 17904 157 1 . 1 1 93 93 LYS HA H 87 4.791 4.791 4.389 0.402 17904 158 1 . 1 1 93 93 LYS H H 87 8.984 8.984 8.037 0.947 17904 159 1 . 1 1 94 94 GLU HA H 88 3.847 3.847 3.966 -0.119 17904 160 1 . 1 1 94 94 GLU H H 88 9.115 9.115 8.631 0.484 17904 161 1 . 1 1 95 95 LYS HA H 89 3.968 3.968 4.071 -0.103 17904 162 1 . 1 1 95 95 LYS H H 89 8.809 8.809 8.449 0.360 17904 163 1 . 1 1 96 96 ASP HA H 90 4.019 4.019 4.475 -0.456 17904 164 1 . 1 1 96 96 ASP H H 90 6.540 6.540 8.297 -1.757 17904 165 1 . 1 1 97 97 ARG HA H 91 3.937 3.937 3.985 -0.048 17904 166 1 . 1 1 97 97 ARG H H 91 7.653 7.653 7.879 -0.226 17904 167 1 . 1 1 98 98 ASN HA H 92 3.970 3.970 4.458 -0.488 17904 168 1 . 1 1 98 98 ASN H H 92 8.843 8.843 8.064 0.779 17904 169 1 . 1 1 99 99 ASP HA H 93 4.262 4.262 4.548 -0.286 17904 170 1 . 1 1 99 99 ASP H H 93 8.850 8.850 7.642 1.208 17904 171 1 . 1 1 100 100 LEU HA H 94 4.250 4.250 4.015 0.235 17904 172 1 . 1 1 100 100 LEU H H 94 8.711 8.711 7.614 1.097 17904 173 1 . 1 1 101 101 ILE HA H 95 3.653 3.653 3.462 0.191 17904 174 1 . 1 1 101 101 ILE H H 95 9.304 9.304 7.589 1.715 17904 175 1 . 1 1 102 102 THR HA H 96 3.890 3.890 4.097 -0.207 17904 176 1 . 1 1 102 102 THR H H 96 8.346 8.346 7.705 0.641 17904 177 1 . 1 1 103 103 TYR HA H 97 4.129 4.129 4.059 0.070 17904 178 1 . 1 1 103 103 TYR H H 97 8.017 8.017 7.770 0.247 17904 179 1 . 1 1 104 104 LEU HA H 98 3.360 3.360 3.694 -0.334 17904 180 1 . 1 1 104 104 LEU H H 98 9.407 9.407 8.036 1.371 17904 181 1 . 1 1 105 105 LYS HA H 99 3.492 3.492 3.387 0.105 17904 182 1 . 1 1 105 105 LYS H H 99 8.846 8.846 7.419 1.427 17904 183 1 . 1 1 106 106 LYS HA H 100 4.123 4.123 3.880 0.243 17904 184 1 . 1 1 106 106 LYS H H 100 6.661 6.661 7.171 -0.510 17904 185 1 . 1 1 107 107 ALA HA H 101 3.931 3.931 3.689 0.242 17904 186 1 . 1 1 107 107 ALA H H 101 8.465 8.465 7.162 1.302 17904 187 1 . 1 1 108 108 THR HA H 102 3.967 3.967 4.261 -0.294 17904 188 1 . 1 1 108 108 THR H H 102 7.385 7.385 7.328 0.057 17904 stop_ save_