data_25512 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25512 _Entry.PDB_ID 2N01 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 25512 _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 25 25 LYS HA H 25 4.644 4.644 4.675 -0.031 25512 2 1 1 . 1 1 25 25 LYS H H 25 8.300 8.300 8.323 -0.023 25512 3 1 1 . 1 1 26 26 PRO HA H 26 4.367 4.367 4.529 -0.162 25512 4 1 1 . 1 1 27 27 ALA HA H 27 4.497 4.497 4.500 -0.003 25512 5 1 1 . 1 1 27 27 ALA H H 27 8.519 8.519 7.276 1.243 25512 6 1 1 . 1 1 28 28 PRO HA H 28 4.340 4.340 4.373 -0.033 25512 7 1 1 . 1 1 29 29 ASP HA H 29 4.803 4.803 4.419 0.384 25512 8 1 1 . 1 1 29 29 ASP H H 29 8.417 8.417 8.496 -0.079 25512 9 1 1 . 1 1 30 30 PHE HA H 30 4.832 4.832 4.755 0.077 25512 10 1 1 . 1 1 30 30 PHE H H 30 8.198 8.198 7.006 1.192 25512 11 1 1 . 1 1 31 31 GLY H H 31 7.414 7.414 7.768 -0.354 25512 12 1 1 . 1 1 32 32 GLY H H 32 7.745 7.745 8.362 -0.617 25512 13 1 1 . 1 1 33 33 ARG HA H 33 4.337 4.337 4.665 -0.328 25512 14 1 1 . 1 1 33 33 ARG H H 33 8.070 8.070 7.766 0.304 25512 15 1 1 . 1 1 34 34 TRP HA H 34 4.671 4.671 4.616 0.055 25512 16 1 1 . 1 1 34 34 TRP H H 34 7.979 7.979 8.560 -0.581 25512 17 1 1 . 1 1 35 35 LYS HA H 35 4.519 4.519 4.546 -0.027 25512 18 1 1 . 1 1 35 35 LYS H H 35 9.155 9.155 8.332 0.823 25512 19 1 1 . 1 1 36 36 HIS HA H 36 5.718 5.718 4.658 1.060 25512 20 1 1 . 1 1 36 36 HIS H H 36 8.615 8.615 8.382 0.233 25512 21 1 1 . 1 1 37 37 VAL HA H 37 4.194 4.194 4.368 -0.174 25512 22 1 1 . 1 1 37 37 VAL H H 37 8.813 8.813 8.433 0.380 25512 23 1 1 . 1 1 38 38 ASN HA H 38 4.947 4.947 4.537 0.410 25512 24 1 1 . 1 1 38 38 ASN H H 38 8.911 8.911 7.946 0.965 25512 25 1 1 . 1 1 39 39 HIS HA H 39 4.742 4.742 4.356 0.386 25512 26 1 1 . 1 1 39 39 HIS H H 39 8.500 8.500 8.924 -0.424 25512 27 1 1 . 1 1 40 40 PHE HA H 40 4.715 4.715 5.075 -0.360 25512 28 1 1 . 1 1 40 40 PHE H H 40 8.330 8.330 8.498 -0.168 25512 29 1 1 . 1 1 41 41 ASP HA H 41 4.623 4.623 4.621 0.002 25512 30 1 1 . 1 1 41 41 ASP H H 41 8.482 8.482 8.486 -0.004 25512 31 1 1 . 1 1 42 42 GLU HA H 42 4.335 4.335 4.421 -0.086 25512 32 1 1 . 1 1 42 42 GLU H H 42 8.210 8.210 8.374 -0.164 25512 33 1 1 . 1 1 43 43 ALA HA H 43 4.578 4.578 4.279 0.299 25512 34 1 1 . 1 1 43 43 ALA H H 43 8.241 8.241 7.346 0.895 25512 35 1 1 . 1 1 44 44 PRO HA H 44 4.500 4.500 4.140 0.360 25512 36 1 2 . 1 1 25 25 LYS HA H 25 4.644 4.644 4.777 -0.133 25512 37 1 2 . 1 1 25 25 LYS H H 25 8.300 8.300 8.050 0.250 25512 38 1 2 . 1 1 26 26 PRO HA H 26 4.367 4.367 4.599 -0.232 25512 39 1 2 . 1 1 27 27 ALA HA H 27 4.497 4.497 4.613 -0.116 25512 40 1 2 . 1 1 27 27 ALA H H 27 8.519 8.519 8.282 0.237 25512 41 1 2 . 1 1 28 28 PRO HA H 28 4.340 4.340 4.506 -0.166 25512 42 1 2 . 1 1 29 29 ASP HA H 29 4.803 4.803 4.617 0.186 25512 43 1 2 . 1 1 29 29 ASP H H 29 8.417 8.417 8.400 0.017 25512 44 1 2 . 1 1 30 30 PHE HA H 30 4.832 4.832 4.558 0.274 25512 45 1 2 . 1 1 30 30 PHE H H 30 8.198 8.198 7.573 0.625 25512 46 1 2 . 1 1 31 31 GLY H H 31 7.414 7.414 7.747 -0.333 25512 47 1 2 . 1 1 32 32 GLY H H 32 7.745 7.745 8.268 -0.523 25512 48 1 2 . 1 1 33 33 ARG HA H 33 4.337 4.337 4.625 -0.288 25512 49 1 2 . 1 1 33 33 ARG H H 33 8.070 8.070 7.927 0.143 25512 50 1 2 . 1 1 34 34 TRP HA H 34 4.671 4.671 4.484 0.187 25512 51 1 2 . 1 1 34 34 TRP H H 34 7.979 7.979 8.619 -0.640 25512 52 1 2 . 1 1 35 35 LYS HA H 35 4.519 4.519 4.509 0.010 25512 53 1 2 . 1 1 35 35 LYS H H 35 9.155 9.155 8.313 0.842 25512 54 1 2 . 1 1 36 36 HIS HA H 36 5.718 5.718 4.625 1.093 25512 55 1 2 . 1 1 36 36 HIS H H 36 8.615 8.615 8.466 0.149 25512 56 1 2 . 1 1 37 37 VAL HA H 37 4.194 4.194 4.263 -0.069 25512 57 1 2 . 1 1 37 37 VAL H H 37 8.813 8.813 8.368 0.445 25512 58 1 2 . 1 1 38 38 ASN HA H 38 4.947 4.947 4.697 0.250 25512 59 1 2 . 1 1 38 38 ASN H H 38 8.911 8.911 8.140 0.771 25512 60 1 2 . 1 1 39 39 HIS HA H 39 4.742 4.742 4.147 0.595 25512 61 1 2 . 1 1 39 39 HIS H H 39 8.500 8.500 8.626 -0.126 25512 62 1 2 . 1 1 40 40 PHE HA H 40 4.715 4.715 4.705 0.010 25512 63 1 2 . 1 1 40 40 PHE H H 40 8.330 8.330 8.174 0.156 25512 64 1 2 . 1 1 41 41 ASP HA H 41 4.623 4.623 4.873 -0.250 25512 65 1 2 . 1 1 41 41 ASP H H 41 8.482 8.482 8.104 0.378 25512 66 1 2 . 1 1 42 42 GLU HA H 42 4.335 4.335 4.519 -0.184 25512 67 1 2 . 1 1 42 42 GLU H H 42 8.210 8.210 8.369 -0.159 25512 68 1 2 . 1 1 43 43 ALA HA H 43 4.578 4.578 4.361 0.217 25512 69 1 2 . 1 1 43 43 ALA H H 43 8.241 8.241 7.623 0.618 25512 70 1 2 . 1 1 44 44 PRO HA H 44 4.500 4.500 4.314 0.186 25512 71 1 3 . 1 1 25 25 LYS HA H 25 4.644 4.644 4.609 0.035 25512 72 1 3 . 1 1 25 25 LYS H H 25 8.300 8.300 8.247 0.053 25512 73 1 3 . 1 1 26 26 PRO HA H 26 4.367 4.367 4.532 -0.165 25512 74 1 3 . 1 1 27 27 ALA HA H 27 4.497 4.497 4.687 -0.190 25512 75 1 3 . 1 1 27 27 ALA H H 27 8.519 8.519 8.371 0.148 25512 76 1 3 . 1 1 28 28 PRO HA H 28 4.340 4.340 4.422 -0.082 25512 77 1 3 . 1 1 29 29 ASP HA H 29 4.803 4.803 4.604 0.199 25512 78 1 3 . 1 1 29 29 ASP H H 29 8.417 8.417 8.199 0.218 25512 79 1 3 . 1 1 30 30 PHE HA H 30 4.832 4.832 4.641 0.191 25512 80 1 3 . 1 1 30 30 PHE H H 30 8.198 8.198 7.749 0.449 25512 81 1 3 . 1 1 31 31 GLY H H 31 7.414 7.414 8.293 -0.879 25512 82 1 3 . 1 1 32 32 GLY H H 32 7.745 7.745 8.700 -0.955 25512 83 1 3 . 1 1 33 33 ARG HA H 33 4.337 4.337 4.396 -0.059 25512 84 1 3 . 1 1 33 33 ARG H H 33 8.070 8.070 8.183 -0.113 25512 85 1 3 . 1 1 34 34 TRP HA H 34 4.671 4.671 4.323 0.348 25512 86 1 3 . 1 1 34 34 TRP H H 34 7.979 7.979 7.634 0.345 25512 87 1 3 . 1 1 35 35 LYS HA H 35 4.519 4.519 4.430 0.089 25512 88 1 3 . 1 1 35 35 LYS H H 35 9.155 9.155 8.106 1.049 25512 89 1 3 . 1 1 36 36 HIS HA H 36 5.718 5.718 4.689 1.029 25512 90 1 3 . 1 1 36 36 HIS H H 36 8.615 8.615 8.020 0.595 25512 91 1 3 . 1 1 37 37 VAL HA H 37 4.194 4.194 4.245 -0.051 25512 92 1 3 . 1 1 37 37 VAL H H 37 8.813 8.813 8.422 0.391 25512 93 1 3 . 1 1 38 38 ASN HA H 38 4.947 4.947 4.619 0.328 25512 94 1 3 . 1 1 38 38 ASN H H 38 8.911 8.911 8.091 0.820 25512 95 1 3 . 1 1 39 39 HIS HA H 39 4.742 4.742 4.729 0.013 25512 96 1 3 . 1 1 39 39 HIS H H 39 8.500 8.500 8.721 -0.221 25512 97 1 3 . 1 1 40 40 PHE HA H 40 4.715 4.715 4.559 0.156 25512 98 1 3 . 1 1 40 40 PHE H H 40 8.330 8.330 8.486 -0.156 25512 99 1 3 . 1 1 41 41 ASP HA H 41 4.623 4.623 4.492 0.131 25512 100 1 3 . 1 1 41 41 ASP H H 41 8.482 8.482 8.111 0.371 25512 101 1 3 . 1 1 42 42 GLU HA H 42 4.335 4.335 4.385 -0.050 25512 102 1 3 . 1 1 42 42 GLU H H 42 8.210 8.210 7.963 0.247 25512 103 1 3 . 1 1 43 43 ALA HA H 43 4.578 4.578 4.654 -0.076 25512 104 1 3 . 1 1 43 43 ALA H H 43 8.241 8.241 8.519 -0.278 25512 105 1 3 . 1 1 44 44 PRO HA H 44 4.500 4.500 4.263 0.237 25512 106 1 4 . 1 1 25 25 LYS HA H 25 4.644 4.644 4.662 -0.018 25512 107 1 4 . 1 1 25 25 LYS H H 25 8.300 8.300 8.310 -0.010 25512 108 1 4 . 1 1 26 26 PRO HA H 26 4.367 4.367 4.526 -0.159 25512 109 1 4 . 1 1 27 27 ALA HA H 27 4.497 4.497 4.682 -0.185 25512 110 1 4 . 1 1 27 27 ALA H H 27 8.519 8.519 8.223 0.296 25512 111 1 4 . 1 1 28 28 PRO HA H 28 4.340 4.340 4.050 0.290 25512 112 1 4 . 1 1 29 29 ASP HA H 29 4.803 4.803 4.256 0.547 25512 113 1 4 . 1 1 29 29 ASP H H 29 8.417 8.417 8.475 -0.058 25512 114 1 4 . 1 1 30 30 PHE HA H 30 4.832 4.832 4.836 -0.004 25512 115 1 4 . 1 1 30 30 PHE H H 30 8.198 8.198 7.709 0.489 25512 116 1 4 . 1 1 31 31 GLY H H 31 7.414 7.414 7.996 -0.582 25512 117 1 4 . 1 1 32 32 GLY H H 32 7.745 7.745 8.535 -0.790 25512 118 1 4 . 1 1 33 33 ARG HA H 33 4.337 4.337 4.635 -0.298 25512 119 1 4 . 1 1 33 33 ARG H H 33 8.070 8.070 7.859 0.211 25512 120 1 4 . 1 1 34 34 TRP HA H 34 4.671 4.671 4.685 -0.014 25512 121 1 4 . 1 1 34 34 TRP H H 34 7.979 7.979 8.424 -0.445 25512 122 1 4 . 1 1 35 35 LYS HA H 35 4.519 4.519 4.767 -0.248 25512 123 1 4 . 1 1 35 35 LYS H H 35 9.155 9.155 8.731 0.424 25512 124 1 4 . 1 1 36 36 HIS HA H 36 5.718 5.718 4.631 1.087 25512 125 1 4 . 1 1 36 36 HIS H H 36 8.615 8.615 8.897 -0.282 25512 126 1 4 . 1 1 37 37 VAL HA H 37 4.194 4.194 4.304 -0.110 25512 127 1 4 . 1 1 37 37 VAL H H 37 8.813 8.813 8.375 0.438 25512 128 1 4 . 1 1 38 38 ASN HA H 38 4.947 4.947 5.095 -0.148 25512 129 1 4 . 1 1 38 38 ASN H H 38 8.911 8.911 8.360 0.551 25512 130 1 4 . 1 1 39 39 HIS HA H 39 4.742 4.742 4.086 0.656 25512 131 1 4 . 1 1 39 39 HIS H H 39 8.500 8.500 8.593 -0.093 25512 132 1 4 . 1 1 40 40 PHE HA H 40 4.715 4.715 4.613 0.102 25512 133 1 4 . 1 1 40 40 PHE H H 40 8.330 8.330 7.900 0.430 25512 134 1 4 . 1 1 41 41 ASP HA H 41 4.623 4.623 4.669 -0.046 25512 135 1 4 . 1 1 41 41 ASP H H 41 8.482 8.482 8.477 0.005 25512 136 1 4 . 1 1 42 42 GLU HA H 42 4.335 4.335 4.364 -0.029 25512 137 1 4 . 1 1 42 42 GLU H H 42 8.210 8.210 8.492 -0.282 25512 138 1 4 . 1 1 43 43 ALA HA H 43 4.578 4.578 4.093 0.485 25512 139 1 4 . 1 1 43 43 ALA H H 43 8.241 8.241 7.761 0.480 25512 140 1 4 . 1 1 44 44 PRO HA H 44 4.500 4.500 4.451 0.049 25512 141 1 5 . 1 1 25 25 LYS HA H 25 4.644 4.644 4.761 -0.117 25512 142 1 5 . 1 1 25 25 LYS H H 25 8.300 8.300 8.120 0.180 25512 143 1 5 . 1 1 26 26 PRO HA H 26 4.367 4.367 4.701 -0.334 25512 144 1 5 . 1 1 27 27 ALA HA H 27 4.497 4.497 4.410 0.087 25512 145 1 5 . 1 1 27 27 ALA H H 27 8.519 8.519 8.205 0.314 25512 146 1 5 . 1 1 28 28 PRO HA H 28 4.340 4.340 4.195 0.145 25512 147 1 5 . 1 1 29 29 ASP HA H 29 4.803 4.803 4.387 0.416 25512 148 1 5 . 1 1 29 29 ASP H H 29 8.417 8.417 7.935 0.482 25512 149 1 5 . 1 1 30 30 PHE HA H 30 4.832 4.832 4.850 -0.018 25512 150 1 5 . 1 1 30 30 PHE H H 30 8.198 8.198 7.921 0.277 25512 151 1 5 . 1 1 31 31 GLY H H 31 7.414 7.414 7.777 -0.363 25512 152 1 5 . 1 1 32 32 GLY H H 32 7.745 7.745 8.358 -0.613 25512 153 1 5 . 1 1 33 33 ARG HA H 33 4.337 4.337 4.657 -0.320 25512 154 1 5 . 1 1 33 33 ARG H H 33 8.070 8.070 7.934 0.136 25512 155 1 5 . 1 1 34 34 TRP HA H 34 4.671 4.671 4.575 0.096 25512 156 1 5 . 1 1 34 34 TRP H H 34 7.979 7.979 8.566 -0.587 25512 157 1 5 . 1 1 35 35 LYS HA H 35 4.519 4.519 4.854 -0.335 25512 158 1 5 . 1 1 35 35 LYS H H 35 9.155 9.155 8.671 0.484 25512 159 1 5 . 1 1 36 36 HIS HA H 36 5.718 5.718 4.613 1.105 25512 160 1 5 . 1 1 36 36 HIS H H 36 8.615 8.615 9.018 -0.403 25512 161 1 5 . 1 1 37 37 VAL HA H 37 4.194 4.194 4.094 0.100 25512 162 1 5 . 1 1 37 37 VAL H H 37 8.813 8.813 8.553 0.260 25512 163 1 5 . 1 1 38 38 ASN HA H 38 4.947 4.947 4.716 0.231 25512 164 1 5 . 1 1 38 38 ASN H H 38 8.911 8.911 8.176 0.735 25512 165 1 5 . 1 1 39 39 HIS HA H 39 4.742 4.742 4.642 0.100 25512 166 1 5 . 1 1 39 39 HIS H H 39 8.500 8.500 8.441 0.059 25512 167 1 5 . 1 1 40 40 PHE HA H 40 4.715 4.715 4.168 0.547 25512 168 1 5 . 1 1 40 40 PHE H H 40 8.330 8.330 8.504 -0.174 25512 169 1 5 . 1 1 41 41 ASP HA H 41 4.623 4.623 4.517 0.106 25512 170 1 5 . 1 1 41 41 ASP H H 41 8.482 8.482 7.745 0.737 25512 171 1 5 . 1 1 42 42 GLU HA H 42 4.335 4.335 4.173 0.162 25512 172 1 5 . 1 1 42 42 GLU H H 42 8.210 8.210 8.170 0.040 25512 173 1 5 . 1 1 43 43 ALA HA H 43 4.578 4.578 4.666 -0.088 25512 174 1 5 . 1 1 43 43 ALA H H 43 8.241 8.241 8.142 0.099 25512 175 1 5 . 1 1 44 44 PRO HA H 44 4.500 4.500 4.498 0.002 25512 176 1 6 . 1 1 25 25 LYS HA H 25 4.644 4.644 4.176 0.468 25512 177 1 6 . 1 1 25 25 LYS H H 25 8.300 8.300 8.362 -0.062 25512 178 1 6 . 1 1 26 26 PRO HA H 26 4.367 4.367 4.380 -0.013 25512 179 1 6 . 1 1 27 27 ALA HA H 27 4.497 4.497 4.650 -0.153 25512 180 1 6 . 1 1 27 27 ALA H H 27 8.519 8.519 7.474 1.045 25512 181 1 6 . 1 1 28 28 PRO HA H 28 4.340 4.340 4.372 -0.032 25512 182 1 6 . 1 1 29 29 ASP HA H 29 4.803 4.803 4.736 0.067 25512 183 1 6 . 1 1 29 29 ASP H H 29 8.417 8.417 8.334 0.083 25512 184 1 6 . 1 1 30 30 PHE HA H 30 4.832 4.832 4.628 0.204 25512 185 1 6 . 1 1 30 30 PHE H H 30 8.198 8.198 8.061 0.137 25512 186 1 6 . 1 1 31 31 GLY H H 31 7.414 7.414 8.161 -0.747 25512 187 1 6 . 1 1 32 32 GLY H H 32 7.745 7.745 8.014 -0.269 25512 188 1 6 . 1 1 33 33 ARG HA H 33 4.337 4.337 4.462 -0.125 25512 189 1 6 . 1 1 33 33 ARG H H 33 8.070 8.070 7.990 0.080 25512 190 1 6 . 1 1 34 34 TRP HA H 34 4.671 4.671 4.473 0.198 25512 191 1 6 . 1 1 34 34 TRP H H 34 7.979 7.979 7.866 0.113 25512 192 1 6 . 1 1 35 35 LYS HA H 35 4.519 4.519 4.602 -0.083 25512 193 1 6 . 1 1 35 35 LYS H H 35 9.155 9.155 8.352 0.803 25512 194 1 6 . 1 1 36 36 HIS HA H 36 5.718 5.718 4.597 1.121 25512 195 1 6 . 1 1 36 36 HIS H H 36 8.615 8.615 8.592 0.023 25512 196 1 6 . 1 1 37 37 VAL HA H 37 4.194 4.194 4.299 -0.105 25512 197 1 6 . 1 1 37 37 VAL H H 37 8.813 8.813 8.381 0.432 25512 198 1 6 . 1 1 38 38 ASN HA H 38 4.947 4.947 4.595 0.352 25512 199 1 6 . 1 1 38 38 ASN H H 38 8.911 8.911 8.263 0.648 25512 200 1 6 . 1 1 39 39 HIS HA H 39 4.742 4.742 3.941 0.801 25512 201 1 6 . 1 1 39 39 HIS H H 39 8.500 8.500 8.404 0.096 25512 202 1 6 . 1 1 40 40 PHE HA H 40 4.715 4.715 4.589 0.126 25512 203 1 6 . 1 1 40 40 PHE H H 40 8.330 8.330 7.875 0.455 25512 204 1 6 . 1 1 41 41 ASP HA H 41 4.623 4.623 4.600 0.023 25512 205 1 6 . 1 1 41 41 ASP H H 41 8.482 8.482 8.603 -0.121 25512 206 1 6 . 1 1 42 42 GLU HA H 42 4.335 4.335 4.107 0.228 25512 207 1 6 . 1 1 42 42 GLU H H 42 8.210 8.210 8.803 -0.593 25512 208 1 6 . 1 1 43 43 ALA HA H 43 4.578 4.578 4.617 -0.039 25512 209 1 6 . 1 1 43 43 ALA H H 43 8.241 8.241 8.209 0.032 25512 210 1 6 . 1 1 44 44 PRO HA H 44 4.500 4.500 4.443 0.057 25512 211 1 7 . 1 1 25 25 LYS HA H 25 4.644 4.644 4.718 -0.074 25512 212 1 7 . 1 1 25 25 LYS H H 25 8.300 8.300 8.020 0.280 25512 213 1 7 . 1 1 26 26 PRO HA H 26 4.367 4.367 4.490 -0.123 25512 214 1 7 . 1 1 27 27 ALA HA H 27 4.497 4.497 4.200 0.297 25512 215 1 7 . 1 1 27 27 ALA H H 27 8.519 8.519 8.236 0.283 25512 216 1 7 . 1 1 28 28 PRO HA H 28 4.340 4.340 4.492 -0.152 25512 217 1 7 . 1 1 29 29 ASP HA H 29 4.803 4.803 4.714 0.089 25512 218 1 7 . 1 1 29 29 ASP H H 29 8.417 8.417 8.021 0.396 25512 219 1 7 . 1 1 30 30 PHE HA H 30 4.832 4.832 4.880 -0.048 25512 220 1 7 . 1 1 30 30 PHE H H 30 8.198 8.198 7.917 0.281 25512 221 1 7 . 1 1 31 31 GLY H H 31 7.414 7.414 7.933 -0.519 25512 222 1 7 . 1 1 32 32 GLY H H 32 7.745 7.745 8.383 -0.638 25512 223 1 7 . 1 1 33 33 ARG HA H 33 4.337 4.337 4.679 -0.342 25512 224 1 7 . 1 1 33 33 ARG H H 33 8.070 8.070 7.970 0.100 25512 225 1 7 . 1 1 34 34 TRP HA H 34 4.671 4.671 4.623 0.048 25512 226 1 7 . 1 1 34 34 TRP H H 34 7.979 7.979 8.797 -0.818 25512 227 1 7 . 1 1 35 35 LYS HA H 35 4.519 4.519 4.419 0.100 25512 228 1 7 . 1 1 35 35 LYS H H 35 9.155 9.155 8.513 0.642 25512 229 1 7 . 1 1 36 36 HIS HA H 36 5.718 5.718 4.336 1.382 25512 230 1 7 . 1 1 36 36 HIS H H 36 8.615 8.615 8.449 0.166 25512 231 1 7 . 1 1 37 37 VAL HA H 37 4.194 4.194 4.165 0.029 25512 232 1 7 . 1 1 37 37 VAL H H 37 8.813 8.813 8.006 0.807 25512 233 1 7 . 1 1 38 38 ASN HA H 38 4.947 4.947 4.896 0.051 25512 234 1 7 . 1 1 38 38 ASN H H 38 8.911 8.911 7.844 1.067 25512 235 1 7 . 1 1 39 39 HIS HA H 39 4.742 4.742 4.836 -0.094 25512 236 1 7 . 1 1 39 39 HIS H H 39 8.500 8.500 8.774 -0.274 25512 237 1 7 . 1 1 40 40 PHE HA H 40 4.715 4.715 4.578 0.137 25512 238 1 7 . 1 1 40 40 PHE H H 40 8.330 8.330 8.391 -0.061 25512 239 1 7 . 1 1 41 41 ASP HA H 41 4.623 4.623 4.427 0.196 25512 240 1 7 . 1 1 41 41 ASP H H 41 8.482 8.482 7.683 0.799 25512 241 1 7 . 1 1 42 42 GLU HA H 42 4.335 4.335 4.115 0.220 25512 242 1 7 . 1 1 42 42 GLU H H 42 8.210 8.210 8.270 -0.060 25512 243 1 7 . 1 1 43 43 ALA HA H 43 4.578 4.578 4.570 0.008 25512 244 1 7 . 1 1 43 43 ALA H H 43 8.241 8.241 7.698 0.543 25512 245 1 7 . 1 1 44 44 PRO HA H 44 4.500 4.500 4.504 -0.004 25512 246 1 8 . 1 1 25 25 LYS HA H 25 4.644 4.644 4.685 -0.041 25512 247 1 8 . 1 1 25 25 LYS H H 25 8.300 8.300 8.290 0.010 25512 248 1 8 . 1 1 26 26 PRO HA H 26 4.367 4.367 4.505 -0.138 25512 249 1 8 . 1 1 27 27 ALA HA H 27 4.497 4.497 4.537 -0.040 25512 250 1 8 . 1 1 27 27 ALA H H 27 8.519 8.519 7.526 0.993 25512 251 1 8 . 1 1 28 28 PRO HA H 28 4.340 4.340 4.368 -0.028 25512 252 1 8 . 1 1 29 29 ASP HA H 29 4.803 4.803 4.747 0.056 25512 253 1 8 . 1 1 29 29 ASP H H 29 8.417 8.417 8.361 0.056 25512 254 1 8 . 1 1 30 30 PHE HA H 30 4.832 4.832 4.760 0.072 25512 255 1 8 . 1 1 30 30 PHE H H 30 8.198 8.198 8.020 0.178 25512 256 1 8 . 1 1 31 31 GLY H H 31 7.414 7.414 7.884 -0.470 25512 257 1 8 . 1 1 32 32 GLY H H 32 7.745 7.745 8.342 -0.597 25512 258 1 8 . 1 1 33 33 ARG HA H 33 4.337 4.337 4.691 -0.354 25512 259 1 8 . 1 1 33 33 ARG H H 33 8.070 8.070 7.789 0.281 25512 260 1 8 . 1 1 34 34 TRP HA H 34 4.671 4.671 4.560 0.111 25512 261 1 8 . 1 1 34 34 TRP H H 34 7.979 7.979 8.597 -0.618 25512 262 1 8 . 1 1 35 35 LYS HA H 35 4.519 4.519 4.531 -0.012 25512 263 1 8 . 1 1 35 35 LYS H H 35 9.155 9.155 8.239 0.916 25512 264 1 8 . 1 1 36 36 HIS HA H 36 5.718 5.718 4.645 1.073 25512 265 1 8 . 1 1 36 36 HIS H H 36 8.615 8.615 8.455 0.160 25512 266 1 8 . 1 1 37 37 VAL HA H 37 4.194 4.194 4.302 -0.108 25512 267 1 8 . 1 1 37 37 VAL H H 37 8.813 8.813 8.491 0.322 25512 268 1 8 . 1 1 38 38 ASN HA H 38 4.947 4.947 4.738 0.209 25512 269 1 8 . 1 1 38 38 ASN H H 38 8.911 8.911 8.313 0.598 25512 270 1 8 . 1 1 39 39 HIS HA H 39 4.742 4.742 4.543 0.199 25512 271 1 8 . 1 1 39 39 HIS H H 39 8.500 8.500 8.494 0.006 25512 272 1 8 . 1 1 40 40 PHE HA H 40 4.715 4.715 4.491 0.224 25512 273 1 8 . 1 1 40 40 PHE H H 40 8.330 8.330 8.338 -0.008 25512 274 1 8 . 1 1 41 41 ASP HA H 41 4.623 4.623 4.592 0.031 25512 275 1 8 . 1 1 41 41 ASP H H 41 8.482 8.482 8.540 -0.058 25512 276 1 8 . 1 1 42 42 GLU HA H 42 4.335 4.335 4.227 0.108 25512 277 1 8 . 1 1 42 42 GLU H H 42 8.210 8.210 8.262 -0.052 25512 278 1 8 . 1 1 43 43 ALA HA H 43 4.578 4.578 4.457 0.121 25512 279 1 8 . 1 1 43 43 ALA H H 43 8.241 8.241 8.526 -0.285 25512 280 1 8 . 1 1 44 44 PRO HA H 44 4.500 4.500 4.321 0.179 25512 281 1 9 . 1 1 25 25 LYS HA H 25 4.644 4.644 4.656 -0.012 25512 282 1 9 . 1 1 25 25 LYS H H 25 8.300 8.300 8.445 -0.145 25512 283 1 9 . 1 1 26 26 PRO HA H 26 4.367 4.367 4.606 -0.239 25512 284 1 9 . 1 1 27 27 ALA HA H 27 4.497 4.497 4.580 -0.083 25512 285 1 9 . 1 1 27 27 ALA H H 27 8.519 8.519 8.274 0.245 25512 286 1 9 . 1 1 28 28 PRO HA H 28 4.340 4.340 4.422 -0.082 25512 287 1 9 . 1 1 29 29 ASP HA H 29 4.803 4.803 4.682 0.121 25512 288 1 9 . 1 1 29 29 ASP H H 29 8.417 8.417 7.796 0.621 25512 289 1 9 . 1 1 30 30 PHE HA H 30 4.832 4.832 4.698 0.134 25512 290 1 9 . 1 1 30 30 PHE H H 30 8.198 8.198 7.953 0.245 25512 291 1 9 . 1 1 31 31 GLY H H 31 7.414 7.414 7.850 -0.436 25512 292 1 9 . 1 1 32 32 GLY H H 32 7.745 7.745 8.351 -0.606 25512 293 1 9 . 1 1 33 33 ARG HA H 33 4.337 4.337 4.612 -0.275 25512 294 1 9 . 1 1 33 33 ARG H H 33 8.070 8.070 7.829 0.241 25512 295 1 9 . 1 1 34 34 TRP HA H 34 4.671 4.671 4.537 0.134 25512 296 1 9 . 1 1 34 34 TRP H H 34 7.979 7.979 8.518 -0.539 25512 297 1 9 . 1 1 35 35 LYS HA H 35 4.519 4.519 4.482 0.037 25512 298 1 9 . 1 1 35 35 LYS H H 35 9.155 9.155 8.415 0.740 25512 299 1 9 . 1 1 36 36 HIS HA H 36 5.718 5.718 4.576 1.142 25512 300 1 9 . 1 1 36 36 HIS H H 36 8.615 8.615 8.420 0.195 25512 301 1 9 . 1 1 37 37 VAL HA H 37 4.194 4.194 4.044 0.150 25512 302 1 9 . 1 1 37 37 VAL H H 37 8.813 8.813 8.424 0.389 25512 303 1 9 . 1 1 38 38 ASN HA H 38 4.947 4.947 4.939 0.008 25512 304 1 9 . 1 1 38 38 ASN H H 38 8.911 8.911 7.950 0.961 25512 305 1 9 . 1 1 39 39 HIS HA H 39 4.742 4.742 4.284 0.458 25512 306 1 9 . 1 1 39 39 HIS H H 39 8.500 8.500 8.778 -0.278 25512 307 1 9 . 1 1 40 40 PHE HA H 40 4.715 4.715 4.514 0.201 25512 308 1 9 . 1 1 40 40 PHE H H 40 8.330 8.330 8.201 0.129 25512 309 1 9 . 1 1 41 41 ASP HA H 41 4.623 4.623 4.620 0.003 25512 310 1 9 . 1 1 41 41 ASP H H 41 8.482 8.482 8.366 0.116 25512 311 1 9 . 1 1 42 42 GLU HA H 42 4.335 4.335 4.224 0.111 25512 312 1 9 . 1 1 42 42 GLU H H 42 8.210 8.210 8.332 -0.122 25512 313 1 9 . 1 1 43 43 ALA HA H 43 4.578 4.578 4.598 -0.020 25512 314 1 9 . 1 1 43 43 ALA H H 43 8.241 8.241 8.213 0.028 25512 315 1 9 . 1 1 44 44 PRO HA H 44 4.500 4.500 4.646 -0.146 25512 316 1 10 . 1 1 25 25 LYS HA H 25 4.644 4.644 4.604 0.040 25512 317 1 10 . 1 1 25 25 LYS H H 25 8.300 8.300 8.066 0.234 25512 318 1 10 . 1 1 26 26 PRO HA H 26 4.367 4.367 4.390 -0.023 25512 319 1 10 . 1 1 27 27 ALA HA H 27 4.497 4.497 4.607 -0.110 25512 320 1 10 . 1 1 27 27 ALA H H 27 8.519 8.519 7.503 1.016 25512 321 1 10 . 1 1 28 28 PRO HA H 28 4.340 4.340 4.418 -0.078 25512 322 1 10 . 1 1 29 29 ASP HA H 29 4.803 4.803 4.403 0.400 25512 323 1 10 . 1 1 29 29 ASP H H 29 8.417 8.417 7.672 0.745 25512 324 1 10 . 1 1 30 30 PHE HA H 30 4.832 4.832 4.086 0.746 25512 325 1 10 . 1 1 30 30 PHE H H 30 8.198 8.198 8.103 0.095 25512 326 1 10 . 1 1 31 31 GLY H H 31 7.414 7.414 8.404 -0.990 25512 327 1 10 . 1 1 32 32 GLY H H 32 7.745 7.745 7.940 -0.195 25512 328 1 10 . 1 1 33 33 ARG HA H 33 4.337 4.337 4.414 -0.077 25512 329 1 10 . 1 1 33 33 ARG H H 33 8.070 8.070 8.060 0.010 25512 330 1 10 . 1 1 34 34 TRP HA H 34 4.671 4.671 4.376 0.295 25512 331 1 10 . 1 1 34 34 TRP H H 34 7.979 7.979 7.890 0.089 25512 332 1 10 . 1 1 35 35 LYS HA H 35 4.519 4.519 4.370 0.149 25512 333 1 10 . 1 1 35 35 LYS H H 35 9.155 9.155 8.138 1.017 25512 334 1 10 . 1 1 36 36 HIS HA H 36 5.718 5.718 4.621 1.097 25512 335 1 10 . 1 1 36 36 HIS H H 36 8.615 8.615 8.391 0.224 25512 336 1 10 . 1 1 37 37 VAL HA H 37 4.194 4.194 4.283 -0.089 25512 337 1 10 . 1 1 37 37 VAL H H 37 8.813 8.813 8.620 0.193 25512 338 1 10 . 1 1 38 38 ASN HA H 38 4.947 4.947 4.941 0.006 25512 339 1 10 . 1 1 38 38 ASN H H 38 8.911 8.911 8.366 0.545 25512 340 1 10 . 1 1 39 39 HIS HA H 39 4.742 4.742 4.245 0.497 25512 341 1 10 . 1 1 39 39 HIS H H 39 8.500 8.500 8.823 -0.323 25512 342 1 10 . 1 1 40 40 PHE HA H 40 4.715 4.715 4.572 0.143 25512 343 1 10 . 1 1 40 40 PHE H H 40 8.330 8.330 8.033 0.297 25512 344 1 10 . 1 1 41 41 ASP HA H 41 4.623 4.623 4.800 -0.177 25512 345 1 10 . 1 1 41 41 ASP H H 41 8.482 8.482 7.757 0.725 25512 346 1 10 . 1 1 42 42 GLU HA H 42 4.335 4.335 4.569 -0.234 25512 347 1 10 . 1 1 42 42 GLU H H 42 8.210 8.210 8.894 -0.684 25512 348 1 10 . 1 1 43 43 ALA HA H 43 4.578 4.578 4.801 -0.223 25512 349 1 10 . 1 1 43 43 ALA H H 43 8.241 8.241 7.502 0.739 25512 350 1 10 . 1 1 44 44 PRO HA H 44 4.500 4.500 4.349 0.151 25512 351 1 11 . 1 1 25 25 LYS HA H 25 4.644 4.644 4.727 -0.083 25512 352 1 11 . 1 1 25 25 LYS H H 25 8.300 8.300 8.308 -0.008 25512 353 1 11 . 1 1 26 26 PRO HA H 26 4.367 4.367 4.357 0.010 25512 354 1 11 . 1 1 27 27 ALA HA H 27 4.497 4.497 4.603 -0.106 25512 355 1 11 . 1 1 27 27 ALA H H 27 8.519 8.519 7.646 0.873 25512 356 1 11 . 1 1 28 28 PRO HA H 28 4.340 4.340 4.647 -0.307 25512 357 1 11 . 1 1 29 29 ASP HA H 29 4.803 4.803 4.700 0.103 25512 358 1 11 . 1 1 29 29 ASP H H 29 8.417 8.417 7.674 0.743 25512 359 1 11 . 1 1 30 30 PHE HA H 30 4.832 4.832 4.826 0.006 25512 360 1 11 . 1 1 30 30 PHE H H 30 8.198 8.198 7.591 0.607 25512 361 1 11 . 1 1 31 31 GLY H H 31 7.414 7.414 8.318 -0.904 25512 362 1 11 . 1 1 32 32 GLY H H 32 7.745 7.745 8.106 -0.361 25512 363 1 11 . 1 1 33 33 ARG HA H 33 4.337 4.337 4.404 -0.067 25512 364 1 11 . 1 1 33 33 ARG H H 33 8.070 8.070 7.970 0.100 25512 365 1 11 . 1 1 34 34 TRP HA H 34 4.671 4.671 4.579 0.092 25512 366 1 11 . 1 1 34 34 TRP H H 34 7.979 7.979 8.227 -0.248 25512 367 1 11 . 1 1 35 35 LYS HA H 35 4.519 4.519 4.626 -0.107 25512 368 1 11 . 1 1 35 35 LYS H H 35 9.155 9.155 8.489 0.666 25512 369 1 11 . 1 1 36 36 HIS HA H 36 5.718 5.718 4.687 1.031 25512 370 1 11 . 1 1 36 36 HIS H H 36 8.615 8.615 8.773 -0.158 25512 371 1 11 . 1 1 37 37 VAL HA H 37 4.194 4.194 4.132 0.062 25512 372 1 11 . 1 1 37 37 VAL H H 37 8.813 8.813 8.419 0.394 25512 373 1 11 . 1 1 38 38 ASN HA H 38 4.947 4.947 4.463 0.484 25512 374 1 11 . 1 1 38 38 ASN H H 38 8.911 8.911 7.933 0.978 25512 375 1 11 . 1 1 39 39 HIS HA H 39 4.742 4.742 4.510 0.232 25512 376 1 11 . 1 1 39 39 HIS H H 39 8.500 8.500 8.454 0.046 25512 377 1 11 . 1 1 40 40 PHE HA H 40 4.715 4.715 4.519 0.196 25512 378 1 11 . 1 1 40 40 PHE H H 40 8.330 8.330 8.643 -0.313 25512 379 1 11 . 1 1 41 41 ASP HA H 41 4.623 4.623 4.726 -0.103 25512 380 1 11 . 1 1 41 41 ASP H H 41 8.482 8.482 8.212 0.270 25512 381 1 11 . 1 1 42 42 GLU HA H 42 4.335 4.335 4.444 -0.109 25512 382 1 11 . 1 1 42 42 GLU H H 42 8.210 8.210 8.020 0.190 25512 383 1 11 . 1 1 43 43 ALA HA H 43 4.578 4.578 4.229 0.349 25512 384 1 11 . 1 1 43 43 ALA H H 43 8.241 8.241 8.578 -0.337 25512 385 1 11 . 1 1 44 44 PRO HA H 44 4.500 4.500 4.621 -0.121 25512 386 1 12 . 1 1 25 25 LYS HA H 25 4.644 4.644 4.800 -0.156 25512 387 1 12 . 1 1 25 25 LYS H H 25 8.300 8.300 8.351 -0.051 25512 388 1 12 . 1 1 26 26 PRO HA H 26 4.367 4.367 4.583 -0.216 25512 389 1 12 . 1 1 27 27 ALA HA H 27 4.497 4.497 4.504 -0.007 25512 390 1 12 . 1 1 27 27 ALA H H 27 8.519 8.519 8.238 0.281 25512 391 1 12 . 1 1 28 28 PRO HA H 28 4.340 4.340 4.146 0.194 25512 392 1 12 . 1 1 29 29 ASP HA H 29 4.803 4.803 4.406 0.397 25512 393 1 12 . 1 1 29 29 ASP H H 29 8.417 8.417 8.213 0.204 25512 394 1 12 . 1 1 30 30 PHE HA H 30 4.832 4.832 4.756 0.076 25512 395 1 12 . 1 1 30 30 PHE H H 30 8.198 8.198 8.140 0.058 25512 396 1 12 . 1 1 31 31 GLY H H 31 7.414 7.414 7.772 -0.358 25512 397 1 12 . 1 1 32 32 GLY H H 32 7.745 7.745 8.325 -0.580 25512 398 1 12 . 1 1 33 33 ARG HA H 33 4.337 4.337 4.657 -0.320 25512 399 1 12 . 1 1 33 33 ARG H H 33 8.070 8.070 7.782 0.288 25512 400 1 12 . 1 1 34 34 TRP HA H 34 4.671 4.671 4.590 0.081 25512 401 1 12 . 1 1 34 34 TRP H H 34 7.979 7.979 8.512 -0.533 25512 402 1 12 . 1 1 35 35 LYS HA H 35 4.519 4.519 4.534 -0.015 25512 403 1 12 . 1 1 35 35 LYS H H 35 9.155 9.155 8.523 0.632 25512 404 1 12 . 1 1 36 36 HIS HA H 36 5.718 5.718 4.604 1.114 25512 405 1 12 . 1 1 36 36 HIS H H 36 8.615 8.615 8.455 0.160 25512 406 1 12 . 1 1 37 37 VAL HA H 37 4.194 4.194 4.247 -0.053 25512 407 1 12 . 1 1 37 37 VAL H H 37 8.813 8.813 8.503 0.310 25512 408 1 12 . 1 1 38 38 ASN HA H 38 4.947 4.947 4.515 0.432 25512 409 1 12 . 1 1 38 38 ASN H H 38 8.911 8.911 7.959 0.952 25512 410 1 12 . 1 1 39 39 HIS HA H 39 4.742 4.742 4.430 0.312 25512 411 1 12 . 1 1 39 39 HIS H H 39 8.500 8.500 8.210 0.290 25512 412 1 12 . 1 1 40 40 PHE HA H 40 4.715 4.715 4.381 0.334 25512 413 1 12 . 1 1 40 40 PHE H H 40 8.330 8.330 8.225 0.105 25512 414 1 12 . 1 1 41 41 ASP HA H 41 4.623 4.623 4.574 0.049 25512 415 1 12 . 1 1 41 41 ASP H H 41 8.482 8.482 8.235 0.247 25512 416 1 12 . 1 1 42 42 GLU HA H 42 4.335 4.335 4.388 -0.053 25512 417 1 12 . 1 1 42 42 GLU H H 42 8.210 8.210 8.846 -0.636 25512 418 1 12 . 1 1 43 43 ALA HA H 43 4.578 4.578 4.742 -0.164 25512 419 1 12 . 1 1 43 43 ALA H H 43 8.241 8.241 7.843 0.398 25512 420 1 12 . 1 1 44 44 PRO HA H 44 4.500 4.500 4.521 -0.021 25512 421 1 13 . 1 1 25 25 LYS HA H 25 4.644 4.644 4.546 0.098 25512 422 1 13 . 1 1 25 25 LYS H H 25 8.300 8.300 8.527 -0.227 25512 423 1 13 . 1 1 26 26 PRO HA H 26 4.367 4.367 4.473 -0.106 25512 424 1 13 . 1 1 27 27 ALA HA H 27 4.497 4.497 4.539 -0.042 25512 425 1 13 . 1 1 27 27 ALA H H 27 8.519 8.519 7.770 0.749 25512 426 1 13 . 1 1 28 28 PRO HA H 28 4.340 4.340 4.376 -0.036 25512 427 1 13 . 1 1 29 29 ASP HA H 29 4.803 4.803 4.484 0.319 25512 428 1 13 . 1 1 29 29 ASP H H 29 8.417 8.417 8.692 -0.275 25512 429 1 13 . 1 1 30 30 PHE HA H 30 4.832 4.832 4.748 0.084 25512 430 1 13 . 1 1 30 30 PHE H H 30 8.198 8.198 6.996 1.202 25512 431 1 13 . 1 1 31 31 GLY H H 31 7.414 7.414 7.975 -0.561 25512 432 1 13 . 1 1 32 32 GLY H H 32 7.745 7.745 8.397 -0.652 25512 433 1 13 . 1 1 33 33 ARG HA H 33 4.337 4.337 4.643 -0.306 25512 434 1 13 . 1 1 33 33 ARG H H 33 8.070 8.070 7.925 0.145 25512 435 1 13 . 1 1 34 34 TRP HA H 34 4.671 4.671 4.614 0.057 25512 436 1 13 . 1 1 34 34 TRP H H 34 7.979 7.979 8.596 -0.617 25512 437 1 13 . 1 1 35 35 LYS HA H 35 4.519 4.519 4.717 -0.198 25512 438 1 13 . 1 1 35 35 LYS H H 35 9.155 9.155 8.345 0.810 25512 439 1 13 . 1 1 36 36 HIS HA H 36 5.718 5.718 4.618 1.100 25512 440 1 13 . 1 1 36 36 HIS H H 36 8.615 8.615 8.809 -0.194 25512 441 1 13 . 1 1 37 37 VAL HA H 37 4.194 4.194 4.054 0.140 25512 442 1 13 . 1 1 37 37 VAL H H 37 8.813 8.813 8.170 0.643 25512 443 1 13 . 1 1 38 38 ASN HA H 38 4.947 4.947 4.578 0.369 25512 444 1 13 . 1 1 38 38 ASN H H 38 8.911 8.911 8.425 0.486 25512 445 1 13 . 1 1 39 39 HIS HA H 39 4.742 4.742 4.811 -0.069 25512 446 1 13 . 1 1 39 39 HIS H H 39 8.500 8.500 8.600 -0.100 25512 447 1 13 . 1 1 40 40 PHE HA H 40 4.715 4.715 4.715 0.000 25512 448 1 13 . 1 1 40 40 PHE H H 40 8.330 8.330 8.747 -0.417 25512 449 1 13 . 1 1 41 41 ASP HA H 41 4.623 4.623 4.418 0.205 25512 450 1 13 . 1 1 41 41 ASP H H 41 8.482 8.482 8.358 0.124 25512 451 1 13 . 1 1 42 42 GLU HA H 42 4.335 4.335 4.365 -0.030 25512 452 1 13 . 1 1 42 42 GLU H H 42 8.210 8.210 8.399 -0.189 25512 453 1 13 . 1 1 43 43 ALA HA H 43 4.578 4.578 4.703 -0.125 25512 454 1 13 . 1 1 43 43 ALA H H 43 8.241 8.241 7.844 0.397 25512 455 1 13 . 1 1 44 44 PRO HA H 44 4.500 4.500 4.454 0.046 25512 456 1 14 . 1 1 25 25 LYS HA H 25 4.644 4.644 4.622 0.022 25512 457 1 14 . 1 1 25 25 LYS H H 25 8.300 8.300 8.591 -0.291 25512 458 1 14 . 1 1 26 26 PRO HA H 26 4.367 4.367 4.784 -0.417 25512 459 1 14 . 1 1 27 27 ALA HA H 27 4.497 4.497 4.482 0.015 25512 460 1 14 . 1 1 27 27 ALA H H 27 8.519 8.519 8.241 0.278 25512 461 1 14 . 1 1 28 28 PRO HA H 28 4.340 4.340 4.563 -0.223 25512 462 1 14 . 1 1 29 29 ASP HA H 29 4.803 4.803 4.336 0.467 25512 463 1 14 . 1 1 29 29 ASP H H 29 8.417 8.417 8.314 0.103 25512 464 1 14 . 1 1 30 30 PHE HA H 30 4.832 4.832 4.546 0.286 25512 465 1 14 . 1 1 30 30 PHE H H 30 8.198 8.198 8.261 -0.063 25512 466 1 14 . 1 1 31 31 GLY H H 31 7.414 7.414 7.718 -0.304 25512 467 1 14 . 1 1 32 32 GLY H H 32 7.745 7.745 8.366 -0.621 25512 468 1 14 . 1 1 33 33 ARG HA H 33 4.337 4.337 4.668 -0.331 25512 469 1 14 . 1 1 33 33 ARG H H 33 8.070 8.070 7.677 0.393 25512 470 1 14 . 1 1 34 34 TRP HA H 34 4.671 4.671 4.699 -0.028 25512 471 1 14 . 1 1 34 34 TRP H H 34 7.979 7.979 8.535 -0.556 25512 472 1 14 . 1 1 35 35 LYS HA H 35 4.519 4.519 4.642 -0.123 25512 473 1 14 . 1 1 35 35 LYS H H 35 9.155 9.155 8.576 0.579 25512 474 1 14 . 1 1 36 36 HIS HA H 36 5.718 5.718 4.694 1.024 25512 475 1 14 . 1 1 36 36 HIS H H 36 8.615 8.615 8.644 -0.029 25512 476 1 14 . 1 1 37 37 VAL HA H 37 4.194 4.194 4.179 0.015 25512 477 1 14 . 1 1 37 37 VAL H H 37 8.813 8.813 8.478 0.335 25512 478 1 14 . 1 1 38 38 ASN HA H 38 4.947 4.947 5.022 -0.075 25512 479 1 14 . 1 1 38 38 ASN H H 38 8.911 8.911 8.100 0.811 25512 480 1 14 . 1 1 39 39 HIS HA H 39 4.742 4.742 4.782 -0.040 25512 481 1 14 . 1 1 39 39 HIS H H 39 8.500 8.500 8.697 -0.197 25512 482 1 14 . 1 1 40 40 PHE HA H 40 4.715 4.715 4.572 0.143 25512 483 1 14 . 1 1 40 40 PHE H H 40 8.330 8.330 8.807 -0.477 25512 484 1 14 . 1 1 41 41 ASP HA H 41 4.623 4.623 4.607 0.016 25512 485 1 14 . 1 1 41 41 ASP H H 41 8.482 8.482 8.019 0.463 25512 486 1 14 . 1 1 42 42 GLU HA H 42 4.335 4.335 3.949 0.386 25512 487 1 14 . 1 1 42 42 GLU H H 42 8.210 8.210 8.469 -0.259 25512 488 1 14 . 1 1 43 43 ALA HA H 43 4.578 4.578 4.552 0.026 25512 489 1 14 . 1 1 43 43 ALA H H 43 8.241 8.241 7.229 1.012 25512 490 1 14 . 1 1 44 44 PRO HA H 44 4.500 4.500 4.434 0.066 25512 491 1 15 . 1 1 25 25 LYS HA H 25 4.644 4.644 4.725 -0.081 25512 492 1 15 . 1 1 25 25 LYS H H 25 8.300 8.300 8.124 0.176 25512 493 1 15 . 1 1 26 26 PRO HA H 26 4.367 4.367 4.630 -0.263 25512 494 1 15 . 1 1 27 27 ALA HA H 27 4.497 4.497 4.412 0.085 25512 495 1 15 . 1 1 27 27 ALA H H 27 8.519 8.519 7.945 0.574 25512 496 1 15 . 1 1 28 28 PRO HA H 28 4.340 4.340 4.656 -0.316 25512 497 1 15 . 1 1 29 29 ASP HA H 29 4.803 4.803 4.539 0.264 25512 498 1 15 . 1 1 29 29 ASP H H 29 8.417 8.417 8.666 -0.249 25512 499 1 15 . 1 1 30 30 PHE HA H 30 4.832 4.832 4.837 -0.005 25512 500 1 15 . 1 1 30 30 PHE H H 30 8.198 8.198 7.524 0.674 25512 501 1 15 . 1 1 31 31 GLY H H 31 7.414 7.414 7.775 -0.361 25512 502 1 15 . 1 1 32 32 GLY H H 32 7.745 7.745 8.482 -0.737 25512 503 1 15 . 1 1 33 33 ARG HA H 33 4.337 4.337 4.442 -0.105 25512 504 1 15 . 1 1 33 33 ARG H H 33 8.070 8.070 7.882 0.188 25512 505 1 15 . 1 1 34 34 TRP HA H 34 4.671 4.671 4.606 0.065 25512 506 1 15 . 1 1 34 34 TRP H H 34 7.979 7.979 7.941 0.038 25512 507 1 15 . 1 1 35 35 LYS HA H 35 4.519 4.519 4.445 0.074 25512 508 1 15 . 1 1 35 35 LYS H H 35 9.155 9.155 8.306 0.849 25512 509 1 15 . 1 1 36 36 HIS HA H 36 5.718 5.718 4.642 1.076 25512 510 1 15 . 1 1 36 36 HIS H H 36 8.615 8.615 8.263 0.352 25512 511 1 15 . 1 1 37 37 VAL HA H 37 4.194 4.194 4.364 -0.170 25512 512 1 15 . 1 1 37 37 VAL H H 37 8.813 8.813 8.441 0.372 25512 513 1 15 . 1 1 38 38 ASN HA H 38 4.947 4.947 4.606 0.341 25512 514 1 15 . 1 1 38 38 ASN H H 38 8.911 8.911 8.068 0.843 25512 515 1 15 . 1 1 39 39 HIS HA H 39 4.742 4.742 4.234 0.508 25512 516 1 15 . 1 1 39 39 HIS H H 39 8.500 8.500 8.588 -0.088 25512 517 1 15 . 1 1 40 40 PHE HA H 40 4.715 4.715 4.293 0.422 25512 518 1 15 . 1 1 40 40 PHE H H 40 8.330 8.330 7.609 0.721 25512 519 1 15 . 1 1 41 41 ASP HA H 41 4.623 4.623 4.573 0.050 25512 520 1 15 . 1 1 41 41 ASP H H 41 8.482 8.482 8.537 -0.055 25512 521 1 15 . 1 1 42 42 GLU HA H 42 4.335 4.335 4.066 0.269 25512 522 1 15 . 1 1 42 42 GLU H H 42 8.210 8.210 7.893 0.317 25512 523 1 15 . 1 1 43 43 ALA HA H 43 4.578 4.578 4.615 -0.037 25512 524 1 15 . 1 1 43 43 ALA H H 43 8.241 8.241 8.060 0.181 25512 525 1 15 . 1 1 44 44 PRO HA H 44 4.500 4.500 4.342 0.158 25512 526 1 16 . 1 1 25 25 LYS HA H 25 4.644 4.644 4.736 -0.092 25512 527 1 16 . 1 1 25 25 LYS H H 25 8.300 8.300 8.529 -0.229 25512 528 1 16 . 1 1 26 26 PRO HA H 26 4.367 4.367 4.644 -0.277 25512 529 1 16 . 1 1 27 27 ALA HA H 27 4.497 4.497 4.564 -0.067 25512 530 1 16 . 1 1 27 27 ALA H H 27 8.519 8.519 8.308 0.211 25512 531 1 16 . 1 1 28 28 PRO HA H 28 4.340 4.340 4.610 -0.270 25512 532 1 16 . 1 1 29 29 ASP HA H 29 4.803 4.803 4.915 -0.112 25512 533 1 16 . 1 1 29 29 ASP H H 29 8.417 8.417 8.453 -0.036 25512 534 1 16 . 1 1 30 30 PHE HA H 30 4.832 4.832 4.862 -0.030 25512 535 1 16 . 1 1 30 30 PHE H H 30 8.198 8.198 7.851 0.347 25512 536 1 16 . 1 1 31 31 GLY H H 31 7.414 7.414 7.907 -0.493 25512 537 1 16 . 1 1 32 32 GLY H H 32 7.745 7.745 8.300 -0.555 25512 538 1 16 . 1 1 33 33 ARG HA H 33 4.337 4.337 4.369 -0.032 25512 539 1 16 . 1 1 33 33 ARG H H 33 8.070 8.070 7.872 0.198 25512 540 1 16 . 1 1 34 34 TRP HA H 34 4.671 4.671 4.700 -0.029 25512 541 1 16 . 1 1 34 34 TRP H H 34 7.979 7.979 8.019 -0.040 25512 542 1 16 . 1 1 35 35 LYS HA H 35 4.519 4.519 4.535 -0.016 25512 543 1 16 . 1 1 35 35 LYS H H 35 9.155 9.155 8.431 0.724 25512 544 1 16 . 1 1 36 36 HIS HA H 36 5.718 5.718 4.639 1.079 25512 545 1 16 . 1 1 36 36 HIS H H 36 8.615 8.615 8.403 0.212 25512 546 1 16 . 1 1 37 37 VAL HA H 37 4.194 4.194 4.287 -0.093 25512 547 1 16 . 1 1 37 37 VAL H H 37 8.813 8.813 8.401 0.412 25512 548 1 16 . 1 1 38 38 ASN HA H 38 4.947 4.947 4.545 0.402 25512 549 1 16 . 1 1 38 38 ASN H H 38 8.911 8.911 8.234 0.677 25512 550 1 16 . 1 1 39 39 HIS HA H 39 4.742 4.742 4.059 0.683 25512 551 1 16 . 1 1 39 39 HIS H H 39 8.500 8.500 8.642 -0.142 25512 552 1 16 . 1 1 40 40 PHE HA H 40 4.715 4.715 4.744 -0.029 25512 553 1 16 . 1 1 40 40 PHE H H 40 8.330 8.330 7.936 0.394 25512 554 1 16 . 1 1 41 41 ASP HA H 41 4.623 4.623 4.603 0.020 25512 555 1 16 . 1 1 41 41 ASP H H 41 8.482 8.482 8.560 -0.078 25512 556 1 16 . 1 1 42 42 GLU HA H 42 4.335 4.335 4.075 0.260 25512 557 1 16 . 1 1 42 42 GLU H H 42 8.210 8.210 8.566 -0.356 25512 558 1 16 . 1 1 43 43 ALA HA H 43 4.578 4.578 4.154 0.424 25512 559 1 16 . 1 1 43 43 ALA H H 43 8.241 8.241 8.564 -0.323 25512 560 1 16 . 1 1 44 44 PRO HA H 44 4.500 4.500 4.739 -0.239 25512 561 1 17 . 1 1 25 25 LYS HA H 25 4.644 4.644 4.826 -0.182 25512 562 1 17 . 1 1 25 25 LYS H H 25 8.300 8.300 8.468 -0.168 25512 563 1 17 . 1 1 26 26 PRO HA H 26 4.367 4.367 4.771 -0.404 25512 564 1 17 . 1 1 27 27 ALA HA H 27 4.497 4.497 4.591 -0.094 25512 565 1 17 . 1 1 27 27 ALA H H 27 8.519 8.519 8.219 0.300 25512 566 1 17 . 1 1 28 28 PRO HA H 28 4.340 4.340 4.317 0.023 25512 567 1 17 . 1 1 29 29 ASP HA H 29 4.803 4.803 4.460 0.343 25512 568 1 17 . 1 1 29 29 ASP H H 29 8.417 8.417 8.004 0.413 25512 569 1 17 . 1 1 30 30 PHE HA H 30 4.832 4.832 4.477 0.355 25512 570 1 17 . 1 1 30 30 PHE H H 30 8.198 8.198 7.999 0.199 25512 571 1 17 . 1 1 31 31 GLY H H 31 7.414 7.414 7.778 -0.364 25512 572 1 17 . 1 1 32 32 GLY H H 32 7.745 7.745 8.288 -0.543 25512 573 1 17 . 1 1 33 33 ARG HA H 33 4.337 4.337 4.644 -0.307 25512 574 1 17 . 1 1 33 33 ARG H H 33 8.070 8.070 7.789 0.281 25512 575 1 17 . 1 1 34 34 TRP HA H 34 4.671 4.671 4.587 0.084 25512 576 1 17 . 1 1 34 34 TRP H H 34 7.979 7.979 8.515 -0.536 25512 577 1 17 . 1 1 35 35 LYS HA H 35 4.519 4.519 4.360 0.159 25512 578 1 17 . 1 1 35 35 LYS H H 35 9.155 9.155 8.500 0.655 25512 579 1 17 . 1 1 36 36 HIS HA H 36 5.718 5.718 4.843 0.875 25512 580 1 17 . 1 1 36 36 HIS H H 36 8.615 8.615 8.422 0.193 25512 581 1 17 . 1 1 37 37 VAL HA H 37 4.194 4.194 4.208 -0.014 25512 582 1 17 . 1 1 37 37 VAL H H 37 8.813 8.813 8.583 0.230 25512 583 1 17 . 1 1 38 38 ASN HA H 38 4.947 4.947 4.625 0.322 25512 584 1 17 . 1 1 38 38 ASN H H 38 8.911 8.911 7.773 1.138 25512 585 1 17 . 1 1 39 39 HIS HA H 39 4.742 4.742 4.352 0.390 25512 586 1 17 . 1 1 39 39 HIS H H 39 8.500 8.500 8.696 -0.196 25512 587 1 17 . 1 1 40 40 PHE HA H 40 4.715 4.715 4.198 0.517 25512 588 1 17 . 1 1 40 40 PHE H H 40 8.330 8.330 8.529 -0.199 25512 589 1 17 . 1 1 41 41 ASP HA H 41 4.623 4.623 4.548 0.075 25512 590 1 17 . 1 1 41 41 ASP H H 41 8.482 8.482 7.923 0.559 25512 591 1 17 . 1 1 42 42 GLU HA H 42 4.335 4.335 3.589 0.746 25512 592 1 17 . 1 1 42 42 GLU H H 42 8.210 8.210 8.555 -0.345 25512 593 1 17 . 1 1 43 43 ALA HA H 43 4.578 4.578 4.088 0.490 25512 594 1 17 . 1 1 43 43 ALA H H 43 8.241 8.241 7.620 0.621 25512 595 1 17 . 1 1 44 44 PRO HA H 44 4.500 4.500 4.268 0.232 25512 596 1 18 . 1 1 25 25 LYS HA H 25 4.644 4.644 4.603 0.041 25512 597 1 18 . 1 1 25 25 LYS H H 25 8.300 8.300 8.298 0.002 25512 598 1 18 . 1 1 26 26 PRO HA H 26 4.367 4.367 4.546 -0.179 25512 599 1 18 . 1 1 27 27 ALA HA H 27 4.497 4.497 4.512 -0.015 25512 600 1 18 . 1 1 27 27 ALA H H 27 8.519 8.519 8.027 0.492 25512 601 1 18 . 1 1 28 28 PRO HA H 28 4.340 4.340 4.588 -0.248 25512 602 1 18 . 1 1 29 29 ASP HA H 29 4.803 4.803 4.474 0.329 25512 603 1 18 . 1 1 29 29 ASP H H 29 8.417 8.417 8.292 0.125 25512 604 1 18 . 1 1 30 30 PHE HA H 30 4.832 4.832 4.599 0.233 25512 605 1 18 . 1 1 30 30 PHE H H 30 8.198 8.198 7.455 0.743 25512 606 1 18 . 1 1 31 31 GLY H H 31 7.414 7.414 8.340 -0.926 25512 607 1 18 . 1 1 32 32 GLY H H 32 7.745 7.745 8.024 -0.279 25512 608 1 18 . 1 1 33 33 ARG HA H 33 4.337 4.337 4.441 -0.104 25512 609 1 18 . 1 1 33 33 ARG H H 33 8.070 8.070 7.915 0.155 25512 610 1 18 . 1 1 34 34 TRP HA H 34 4.671 4.671 4.358 0.313 25512 611 1 18 . 1 1 34 34 TRP H H 34 7.979 7.979 7.949 0.030 25512 612 1 18 . 1 1 35 35 LYS HA H 35 4.519 4.519 4.420 0.099 25512 613 1 18 . 1 1 35 35 LYS H H 35 9.155 9.155 8.201 0.954 25512 614 1 18 . 1 1 36 36 HIS HA H 36 5.718 5.718 4.600 1.118 25512 615 1 18 . 1 1 36 36 HIS H H 36 8.615 8.615 8.365 0.250 25512 616 1 18 . 1 1 37 37 VAL HA H 37 4.194 4.194 4.282 -0.088 25512 617 1 18 . 1 1 37 37 VAL H H 37 8.813 8.813 8.483 0.330 25512 618 1 18 . 1 1 38 38 ASN HA H 38 4.947 4.947 4.946 0.001 25512 619 1 18 . 1 1 38 38 ASN H H 38 8.911 8.911 8.526 0.385 25512 620 1 18 . 1 1 39 39 HIS HA H 39 4.742 4.742 4.257 0.485 25512 621 1 18 . 1 1 39 39 HIS H H 39 8.500 8.500 8.821 -0.321 25512 622 1 18 . 1 1 40 40 PHE HA H 40 4.715 4.715 4.451 0.264 25512 623 1 18 . 1 1 40 40 PHE H H 40 8.330 8.330 8.404 -0.074 25512 624 1 18 . 1 1 41 41 ASP HA H 41 4.623 4.623 4.403 0.220 25512 625 1 18 . 1 1 41 41 ASP H H 41 8.482 8.482 7.932 0.550 25512 626 1 18 . 1 1 42 42 GLU HA H 42 4.335 4.335 3.870 0.465 25512 627 1 18 . 1 1 42 42 GLU H H 42 8.210 8.210 7.723 0.487 25512 628 1 18 . 1 1 43 43 ALA HA H 43 4.578 4.578 4.663 -0.085 25512 629 1 18 . 1 1 43 43 ALA H H 43 8.241 8.241 7.960 0.281 25512 630 1 18 . 1 1 44 44 PRO HA H 44 4.500 4.500 4.453 0.047 25512 631 1 19 . 1 1 25 25 LYS HA H 25 4.644 4.644 4.576 0.068 25512 632 1 19 . 1 1 25 25 LYS H H 25 8.300 8.300 8.192 0.108 25512 633 1 19 . 1 1 26 26 PRO HA H 26 4.367 4.367 4.549 -0.182 25512 634 1 19 . 1 1 27 27 ALA HA H 27 4.497 4.497 4.549 -0.052 25512 635 1 19 . 1 1 27 27 ALA H H 27 8.519 8.519 7.950 0.569 25512 636 1 19 . 1 1 28 28 PRO HA H 28 4.340 4.340 4.589 -0.249 25512 637 1 19 . 1 1 29 29 ASP HA H 29 4.803 4.803 4.718 0.085 25512 638 1 19 . 1 1 29 29 ASP H H 29 8.417 8.417 8.353 0.064 25512 639 1 19 . 1 1 30 30 PHE HA H 30 4.832 4.832 4.762 0.070 25512 640 1 19 . 1 1 30 30 PHE H H 30 8.198 8.198 8.243 -0.045 25512 641 1 19 . 1 1 31 31 GLY H H 31 7.414 7.414 7.919 -0.505 25512 642 1 19 . 1 1 32 32 GLY H H 32 7.745 7.745 8.427 -0.682 25512 643 1 19 . 1 1 33 33 ARG HA H 33 4.337 4.337 4.584 -0.247 25512 644 1 19 . 1 1 33 33 ARG H H 33 8.070 8.070 7.864 0.206 25512 645 1 19 . 1 1 34 34 TRP HA H 34 4.671 4.671 4.571 0.100 25512 646 1 19 . 1 1 34 34 TRP H H 34 7.979 7.979 8.490 -0.511 25512 647 1 19 . 1 1 35 35 LYS HA H 35 4.519 4.519 4.313 0.206 25512 648 1 19 . 1 1 35 35 LYS H H 35 9.155 9.155 8.462 0.693 25512 649 1 19 . 1 1 36 36 HIS HA H 36 5.718 5.718 4.726 0.992 25512 650 1 19 . 1 1 36 36 HIS H H 36 8.615 8.615 8.094 0.521 25512 651 1 19 . 1 1 37 37 VAL HA H 37 4.194 4.194 4.128 0.066 25512 652 1 19 . 1 1 37 37 VAL H H 37 8.813 8.813 8.505 0.308 25512 653 1 19 . 1 1 38 38 ASN HA H 38 4.947 4.947 4.706 0.241 25512 654 1 19 . 1 1 38 38 ASN H H 38 8.911 8.911 8.196 0.715 25512 655 1 19 . 1 1 39 39 HIS HA H 39 4.742 4.742 4.362 0.380 25512 656 1 19 . 1 1 39 39 HIS H H 39 8.500 8.500 8.302 0.198 25512 657 1 19 . 1 1 40 40 PHE HA H 40 4.715 4.715 4.467 0.248 25512 658 1 19 . 1 1 40 40 PHE H H 40 8.330 8.330 8.612 -0.282 25512 659 1 19 . 1 1 41 41 ASP HA H 41 4.623 4.623 4.446 0.177 25512 660 1 19 . 1 1 41 41 ASP H H 41 8.482 8.482 8.483 -0.001 25512 661 1 19 . 1 1 42 42 GLU HA H 42 4.335 4.335 4.190 0.145 25512 662 1 19 . 1 1 42 42 GLU H H 42 8.210 8.210 8.054 0.156 25512 663 1 19 . 1 1 43 43 ALA HA H 43 4.578 4.578 3.968 0.610 25512 664 1 19 . 1 1 43 43 ALA H H 43 8.241 8.241 8.009 0.232 25512 665 1 19 . 1 1 44 44 PRO HA H 44 4.500 4.500 4.266 0.234 25512 666 1 20 . 1 1 25 25 LYS HA H 25 4.644 4.644 4.681 -0.037 25512 667 1 20 . 1 1 25 25 LYS H H 25 8.300 8.300 8.245 0.055 25512 668 1 20 . 1 1 26 26 PRO HA H 26 4.367 4.367 4.558 -0.191 25512 669 1 20 . 1 1 27 27 ALA HA H 27 4.497 4.497 4.433 0.064 25512 670 1 20 . 1 1 27 27 ALA H H 27 8.519 8.519 7.933 0.586 25512 671 1 20 . 1 1 28 28 PRO HA H 28 4.340 4.340 4.467 -0.127 25512 672 1 20 . 1 1 29 29 ASP HA H 29 4.803 4.803 4.310 0.493 25512 673 1 20 . 1 1 29 29 ASP H H 29 8.417 8.417 8.737 -0.320 25512 674 1 20 . 1 1 30 30 PHE HA H 30 4.832 4.832 4.748 0.084 25512 675 1 20 . 1 1 30 30 PHE H H 30 8.198 8.198 7.827 0.371 25512 676 1 20 . 1 1 31 31 GLY H H 31 7.414 7.414 7.796 -0.382 25512 677 1 20 . 1 1 32 32 GLY H H 32 7.745 7.745 8.659 -0.914 25512 678 1 20 . 1 1 33 33 ARG HA H 33 4.337 4.337 4.648 -0.311 25512 679 1 20 . 1 1 33 33 ARG H H 33 8.070 8.070 7.915 0.155 25512 680 1 20 . 1 1 34 34 TRP HA H 34 4.671 4.671 4.699 -0.028 25512 681 1 20 . 1 1 34 34 TRP H H 34 7.979 7.979 8.552 -0.573 25512 682 1 20 . 1 1 35 35 LYS HA H 35 4.519 4.519 4.827 -0.308 25512 683 1 20 . 1 1 35 35 LYS H H 35 9.155 9.155 8.686 0.469 25512 684 1 20 . 1 1 36 36 HIS HA H 36 5.718 5.718 4.666 1.052 25512 685 1 20 . 1 1 36 36 HIS H H 36 8.615 8.615 9.013 -0.398 25512 686 1 20 . 1 1 37 37 VAL HA H 37 4.194 4.194 4.084 0.110 25512 687 1 20 . 1 1 37 37 VAL H H 37 8.813 8.813 8.429 0.384 25512 688 1 20 . 1 1 38 38 ASN HA H 38 4.947 4.947 4.616 0.331 25512 689 1 20 . 1 1 38 38 ASN H H 38 8.911 8.911 8.262 0.649 25512 690 1 20 . 1 1 39 39 HIS HA H 39 4.742 4.742 4.066 0.676 25512 691 1 20 . 1 1 39 39 HIS H H 39 8.500 8.500 8.352 0.148 25512 692 1 20 . 1 1 40 40 PHE HA H 40 4.715 4.715 4.057 0.658 25512 693 1 20 . 1 1 40 40 PHE H H 40 8.330 8.330 8.164 0.166 25512 694 1 20 . 1 1 41 41 ASP HA H 41 4.623 4.623 4.398 0.225 25512 695 1 20 . 1 1 41 41 ASP H H 41 8.482 8.482 8.745 -0.263 25512 696 1 20 . 1 1 42 42 GLU HA H 42 4.335 4.335 4.325 0.010 25512 697 1 20 . 1 1 42 42 GLU H H 42 8.210 8.210 8.637 -0.427 25512 698 1 20 . 1 1 43 43 ALA HA H 43 4.578 4.578 4.635 -0.057 25512 699 1 20 . 1 1 43 43 ALA H H 43 8.241 8.241 7.403 0.838 25512 700 1 20 . 1 1 44 44 PRO HA H 44 4.500 4.500 4.686 -0.186 25512 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 25512 2 1 1 "Average Difference" HA 22 0.337 -0.130 0.318 25512 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25512 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25512 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25512 6 1 1 "Average Difference" HN 17 0.630 -0.213 0.611 25512 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25512 8 1 2 "Average Difference" HA 22 0.348 -0.131 0.330 25512 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25512 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25512 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25512 12 1 2 "Average Difference" HN 17 0.450 -0.168 0.430 25512 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25512 14 1 3 "Average Difference" HA 22 0.274 -0.090 0.265 25512 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25512 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25512 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25512 18 1 3 "Average Difference" HN 17 0.527 -0.123 0.528 25512 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25512 20 1 4 "Average Difference" HA 22 0.374 -0.149 0.350 25512 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25512 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25512 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25512 24 1 4 "Average Difference" HN 17 0.405 -0.046 0.415 25512 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25512 26 1 5 "Average Difference" HA 22 0.346 -0.139 0.325 25512 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25512 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25512 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25512 30 1 5 "Average Difference" HN 17 0.413 -0.098 0.414 25512 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25512 32 1 6 "Average Difference" HA 22 0.341 -0.149 0.314 25512 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25512 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25512 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25512 36 1 6 "Average Difference" HN 17 0.461 -0.127 0.456 25512 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25512 38 1 7 "Average Difference" HA 22 0.345 -0.117 0.333 25512 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25512 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25512 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25512 42 1 7 "Average Difference" HN 17 0.542 -0.176 0.528 25512 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25512 44 1 8 "Average Difference" HA 22 0.296 -0.126 0.275 25512 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25512 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25512 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25512 48 1 8 "Average Difference" HN 17 0.452 -0.084 0.458 25512 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25512 50 1 9 "Average Difference" HA 22 0.317 -0.124 0.298 25512 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25512 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25512 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25512 54 1 9 "Average Difference" HN 17 0.435 -0.105 0.435 25512 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25512 56 1 10 "Average Difference" HA 22 0.349 -0.085 0.347 25512 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25512 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25512 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25512 60 1 10 "Average Difference" HN 17 0.585 -0.220 0.559 25512 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25512 62 1 11 "Average Difference" HA 22 0.292 -0.046 0.295 25512 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25512 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25512 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25512 66 1 11 "Average Difference" HN 17 0.520 -0.149 0.514 25512 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25512 68 1 12 "Average Difference" HA 22 0.339 -0.146 0.313 25512 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25512 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25512 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25512 72 1 12 "Average Difference" HN 17 0.427 -0.104 0.427 25512 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25512 74 1 13 "Average Difference" HA 22 0.307 -0.114 0.292 25512 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25512 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 25512 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25512 78 1 13 "Average Difference" HN 17 0.543 -0.078 0.554 25512 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25512 80 1 14 "Average Difference" HA 22 0.327 -0.111 0.314 25512 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25512 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 25512 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25512 84 1 14 "Average Difference" HN 17 0.473 -0.069 0.482 25512 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25512 86 1 15 "Average Difference" HA 22 0.333 -0.149 0.305 25512 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25512 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 25512 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25512 90 1 15 "Average Difference" HN 17 0.482 -0.223 0.440 25512 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25512 92 1 16 "Average Difference" HA 22 0.354 -0.127 0.338 25512 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25512 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 25512 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 25512 96 1 16 "Average Difference" HN 17 0.377 -0.054 0.385 25512 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25512 98 1 17 "Average Difference" HA 22 0.384 -0.223 0.320 25512 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25512 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 25512 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 25512 102 1 17 "Average Difference" HN 17 0.475 -0.132 0.470 25512 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25512 104 1 18 "Average Difference" HA 22 0.328 -0.107 0.317 25512 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25512 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 25512 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 25512 108 1 18 "Average Difference" HN 17 0.468 -0.187 0.442 25512 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25512 110 1 19 "Average Difference" HA 22 0.341 -0.194 0.287 25512 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25512 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 25512 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 25512 114 1 19 "Average Difference" HN 17 0.414 -0.103 0.414 25512 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25512 116 1 20 "Average Difference" HA 22 0.385 -0.168 0.355 25512 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25512 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 25512 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 25512 120 1 20 "Average Difference" HN 17 0.477 -0.032 0.491 25512 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 25512 _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 25 25 LYS HA H 25 4.644 4.644 4.658 -0.014 25512 2 1 . 1 1 25 25 LYS H H 25 8.300 8.300 8.293 0.007 25512 3 1 . 1 1 26 26 PRO HA H 26 4.367 4.367 4.558 -0.191 25512 4 1 . 1 1 27 27 ALA HA H 27 4.497 4.497 4.533 -0.036 25512 5 1 . 1 1 27 27 ALA H H 27 8.519 8.519 7.982 0.537 25512 6 1 . 1 1 28 28 PRO HA H 28 4.340 4.340 4.429 -0.089 25512 7 1 . 1 1 29 29 ASP HA H 29 4.803 4.803 4.545 0.258 25512 8 1 . 1 1 29 29 ASP H H 29 8.417 8.417 8.254 0.163 25512 9 1 . 1 1 30 30 PHE HA H 30 4.832 4.832 4.693 0.139 25512 10 1 . 1 1 30 30 PHE H H 30 8.198 8.198 7.795 0.403 25512 11 1 . 1 1 31 31 GLY H H 31 7.414 7.414 7.956 -0.542 25512 12 1 . 1 1 32 32 GLY H H 32 7.745 7.745 8.331 -0.586 25512 13 1 . 1 1 33 33 ARG HA H 33 4.337 4.337 4.567 -0.230 25512 14 1 . 1 1 33 33 ARG H H 33 8.070 8.070 7.895 0.175 25512 15 1 . 1 1 34 34 TRP HA H 34 4.671 4.671 4.563 0.108 25512 16 1 . 1 1 34 34 TRP H H 34 7.979 7.979 8.340 -0.361 25512 17 1 . 1 1 35 35 LYS HA H 35 4.519 4.519 4.546 -0.027 25512 18 1 . 1 1 35 35 LYS H H 35 9.155 9.155 8.416 0.739 25512 19 1 . 1 1 36 36 HIS HA H 36 5.718 5.718 4.635 1.083 25512 20 1 . 1 1 36 36 HIS H H 36 8.615 8.615 8.517 0.098 25512 21 1 . 1 1 37 37 VAL HA H 37 4.194 4.194 4.217 -0.023 25512 22 1 . 1 1 37 37 VAL H H 37 8.813 8.813 8.424 0.389 25512 23 1 . 1 1 38 38 ASN HA H 38 4.947 4.947 4.720 0.227 25512 24 1 . 1 1 38 38 ASN H H 38 8.911 8.911 8.146 0.765 25512 25 1 . 1 1 39 39 HIS HA H 39 4.742 4.742 4.384 0.358 25512 26 1 . 1 1 39 39 HIS H H 39 8.500 8.500 8.597 -0.097 25512 27 1 . 1 1 40 40 PHE HA H 40 4.715 4.715 4.513 0.202 25512 28 1 . 1 1 40 40 PHE H H 40 8.330 8.330 8.304 0.026 25512 29 1 . 1 1 41 41 ASP HA H 41 4.623 4.623 4.575 0.048 25512 30 1 . 1 1 41 41 ASP H H 41 8.482 8.482 8.244 0.238 25512 31 1 . 1 1 42 42 GLU HA H 42 4.335 4.335 4.218 0.117 25512 32 1 . 1 1 42 42 GLU H H 42 8.210 8.210 8.355 -0.145 25512 33 1 . 1 1 43 43 ALA HA H 43 4.578 4.578 4.472 0.106 25512 34 1 . 1 1 43 43 ALA H H 43 8.241 8.241 7.932 0.309 25512 35 1 . 1 1 44 44 PRO HA H 44 4.500 4.500 4.436 0.064 25512 stop_ save_