data_25064 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25064 _Entry.PDB_ID 2MR7 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 25064 _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 4 4 ALA HA H 4 4.260 4.260 4.453 -0.193 25064 2 1 1 . 1 1 6 6 ALA HA H 6 4.574 4.574 4.446 0.128 25064 3 1 1 . 1 1 7 7 PRO HA H 7 4.332 4.332 4.582 -0.250 25064 4 1 1 . 1 1 8 8 GLU HA H 8 4.364 4.364 4.782 -0.418 25064 5 1 1 . 1 1 9 9 SER HA H 9 4.518 4.518 4.539 -0.021 25064 6 1 1 . 1 1 10 10 ALA HA H 10 4.109 4.109 4.085 0.024 25064 7 1 1 . 1 1 11 11 THR HA H 11 3.817 3.817 3.979 -0.162 25064 8 1 1 . 1 1 12 12 GLU HA H 12 3.558 3.558 4.015 -0.457 25064 9 1 1 . 1 1 13 13 LYS HA H 13 3.886 3.886 4.066 -0.180 25064 10 1 1 . 1 1 14 14 VAL HA H 14 3.778 3.778 3.760 0.018 25064 11 1 1 . 1 1 15 15 LEU HA H 15 3.971 3.971 4.011 -0.040 25064 12 1 1 . 1 1 17 17 ALA HA H 17 4.204 4.204 4.057 0.147 25064 13 1 1 . 1 1 18 18 LEU HA H 18 4.174 4.174 3.987 0.187 25064 14 1 1 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.241 -0.265 25064 15 1 1 . 1 1 20 20 ALA HA H 20 3.878 3.878 3.991 -0.113 25064 16 1 1 . 1 1 21 21 GLU HA H 21 3.984 3.984 4.127 -0.143 25064 17 1 1 . 1 1 22 22 ILE HA H 22 3.902 3.902 4.100 -0.198 25064 18 1 1 . 1 1 23 23 LEU HA H 23 4.129 4.129 4.272 -0.143 25064 19 1 1 . 1 1 25 25 VAL HA H 25 4.598 4.598 4.455 0.143 25064 20 1 1 . 1 1 26 26 GLU HA H 26 4.016 4.016 4.201 -0.185 25064 21 1 1 . 1 1 27 27 ARG HA H 27 4.471 4.471 4.531 -0.060 25064 22 1 1 . 1 1 28 28 VAL HA H 28 4.090 4.090 4.450 -0.360 25064 23 1 1 . 1 1 30 30 VAL HA H 30 3.570 3.570 3.978 -0.408 25064 24 1 1 . 1 1 31 31 ASP HA H 31 5.046 5.046 4.803 0.243 25064 25 1 1 . 1 1 32 32 ASP HA H 32 4.615 4.615 4.613 0.002 25064 26 1 1 . 1 1 33 33 ALA HA H 33 4.101 4.101 4.528 -0.427 25064 27 1 1 . 1 1 34 34 PHE HA H 34 3.973 3.973 3.965 0.008 25064 28 1 1 . 1 1 35 35 HIS HA H 35 4.297 4.297 4.644 -0.347 25064 29 1 1 . 1 1 36 36 ASP HA H 36 4.515 4.515 4.630 -0.115 25064 30 1 1 . 1 1 37 37 LEU HA H 37 4.353 4.353 4.258 0.095 25064 31 1 1 . 1 1 37 37 LEU H H 37 7.119 7.119 7.532 -0.413 25064 32 1 1 . 1 1 42 42 ALA HA H 42 4.210 4.210 4.200 0.010 25064 33 1 1 . 1 1 43 43 LEU HA H 43 4.139 4.139 4.252 -0.113 25064 34 1 1 . 1 1 44 44 ALA HA H 44 3.604 3.604 3.705 -0.101 25064 35 1 1 . 1 1 45 45 MET HA H 45 4.171 4.171 4.082 0.089 25064 36 1 1 . 1 1 46 46 ARG HA H 46 4.177 4.177 4.207 -0.030 25064 37 1 1 . 1 1 47 47 LEU HA H 47 3.886 3.886 4.131 -0.245 25064 38 1 1 . 1 1 48 48 ILE HA H 48 3.557 3.557 3.435 0.122 25064 39 1 1 . 1 1 49 49 ALA HA H 49 4.202 4.202 3.915 0.287 25064 40 1 1 . 1 1 51 51 ILE HA H 51 3.373 3.373 3.731 -0.358 25064 41 1 1 . 1 1 52 52 ARG HA H 52 4.070 4.070 4.355 -0.285 25064 42 1 1 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.175 -0.206 25064 43 1 1 . 1 1 54 54 GLU HA H 54 4.362 4.362 4.294 0.068 25064 44 1 1 . 1 1 55 55 LEU HA H 55 4.682 4.682 4.530 0.152 25064 45 1 1 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.524 -0.107 25064 46 1 1 . 1 1 58 58 ASP HA H 58 4.686 4.686 4.619 0.067 25064 47 1 1 . 1 1 59 59 LEU HA H 59 4.501 4.501 4.565 -0.064 25064 48 1 1 . 1 1 60 60 PRO HA H 60 4.412 4.412 4.464 -0.052 25064 49 1 1 . 1 1 62 62 ARG HA H 62 4.059 4.059 4.055 0.004 25064 50 1 1 . 1 1 63 63 GLN HA H 63 4.023 4.023 4.182 -0.159 25064 51 1 1 . 1 1 64 64 LEU HA H 64 3.862 3.862 4.014 -0.152 25064 52 1 1 . 1 1 64 64 LEU H H 64 7.215 7.215 7.280 -0.065 25064 53 1 1 . 1 1 65 65 PHE HA H 65 4.368 4.368 4.358 0.010 25064 54 1 1 . 1 1 66 66 SER HA H 66 4.372 4.372 4.440 -0.068 25064 55 1 1 . 1 1 68 68 PRO HA H 68 5.007 5.007 4.942 0.065 25064 56 1 1 . 1 1 69 69 THR HA H 69 5.524 5.524 5.579 -0.055 25064 57 1 1 . 1 1 70 70 PRO HA H 70 3.814 3.814 4.186 -0.372 25064 58 1 1 . 1 1 71 71 ALA HA H 71 4.129 4.129 4.281 -0.152 25064 59 1 1 . 1 1 73 73 VAL HA H 73 3.567 3.567 3.736 -0.169 25064 60 1 1 . 1 1 74 74 ALA HA H 74 3.777 3.777 3.999 -0.222 25064 61 1 1 . 1 1 75 75 ARG HA H 75 4.047 4.047 4.099 -0.052 25064 62 1 1 . 1 1 77 77 LEU HA H 77 3.980 3.980 4.070 -0.090 25064 63 1 1 . 1 1 78 78 ALA HA H 78 4.169 4.169 4.006 0.163 25064 64 1 1 . 1 1 83 83 SER HA H 83 4.319 4.319 4.435 -0.116 25064 65 1 1 . 1 1 84 84 TRP HA H 84 4.678 4.678 4.891 -0.213 25064 66 1 1 . 1 1 87 87 PRO HA H 87 4.329 4.329 4.570 -0.241 25064 67 1 1 . 1 1 89 89 PHE HA H 89 4.716 4.716 4.715 0.001 25064 68 1 2 . 1 1 4 4 ALA HA H 4 4.260 4.260 4.483 -0.223 25064 69 1 2 . 1 1 6 6 ALA HA H 6 4.574 4.574 4.334 0.240 25064 70 1 2 . 1 1 7 7 PRO HA H 7 4.332 4.332 4.382 -0.050 25064 71 1 2 . 1 1 8 8 GLU HA H 8 4.364 4.364 4.519 -0.155 25064 72 1 2 . 1 1 9 9 SER HA H 9 4.518 4.518 4.696 -0.178 25064 73 1 2 . 1 1 10 10 ALA HA H 10 4.109 4.109 4.152 -0.043 25064 74 1 2 . 1 1 11 11 THR HA H 11 3.817 3.817 3.976 -0.159 25064 75 1 2 . 1 1 12 12 GLU HA H 12 3.558 3.558 4.002 -0.444 25064 76 1 2 . 1 1 13 13 LYS HA H 13 3.886 3.886 3.961 -0.075 25064 77 1 2 . 1 1 14 14 VAL HA H 14 3.778 3.778 3.731 0.047 25064 78 1 2 . 1 1 15 15 LEU HA H 15 3.971 3.971 4.014 -0.043 25064 79 1 2 . 1 1 17 17 ALA HA H 17 4.204 4.204 4.068 0.136 25064 80 1 2 . 1 1 18 18 LEU HA H 18 4.174 4.174 4.081 0.093 25064 81 1 2 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.227 -0.251 25064 82 1 2 . 1 1 20 20 ALA HA H 20 3.878 3.878 3.987 -0.109 25064 83 1 2 . 1 1 21 21 GLU HA H 21 3.984 3.984 4.147 -0.163 25064 84 1 2 . 1 1 22 22 ILE HA H 22 3.902 3.902 4.054 -0.152 25064 85 1 2 . 1 1 23 23 LEU HA H 23 4.129 4.129 4.201 -0.072 25064 86 1 2 . 1 1 25 25 VAL HA H 25 4.598 4.598 4.503 0.095 25064 87 1 2 . 1 1 26 26 GLU HA H 26 4.016 4.016 4.201 -0.185 25064 88 1 2 . 1 1 27 27 ARG HA H 27 4.471 4.471 4.513 -0.042 25064 89 1 2 . 1 1 28 28 VAL HA H 28 4.090 4.090 4.459 -0.369 25064 90 1 2 . 1 1 30 30 VAL HA H 30 3.570 3.570 3.925 -0.355 25064 91 1 2 . 1 1 31 31 ASP HA H 31 5.046 5.046 4.803 0.243 25064 92 1 2 . 1 1 32 32 ASP HA H 32 4.615 4.615 4.595 0.020 25064 93 1 2 . 1 1 33 33 ALA HA H 33 4.101 4.101 4.382 -0.281 25064 94 1 2 . 1 1 34 34 PHE HA H 34 3.973 3.973 4.012 -0.039 25064 95 1 2 . 1 1 35 35 HIS HA H 35 4.297 4.297 4.704 -0.407 25064 96 1 2 . 1 1 36 36 ASP HA H 36 4.515 4.515 4.538 -0.023 25064 97 1 2 . 1 1 37 37 LEU HA H 37 4.353 4.353 4.346 0.007 25064 98 1 2 . 1 1 37 37 LEU H H 37 7.119 7.119 7.405 -0.286 25064 99 1 2 . 1 1 42 42 ALA HA H 42 4.210 4.210 4.200 0.010 25064 100 1 2 . 1 1 43 43 LEU HA H 43 4.139 4.139 4.110 0.029 25064 101 1 2 . 1 1 44 44 ALA HA H 44 3.604 3.604 3.607 -0.003 25064 102 1 2 . 1 1 45 45 MET HA H 45 4.171 4.171 3.991 0.180 25064 103 1 2 . 1 1 46 46 ARG HA H 46 4.177 4.177 4.180 -0.003 25064 104 1 2 . 1 1 47 47 LEU HA H 47 3.886 3.886 4.078 -0.192 25064 105 1 2 . 1 1 48 48 ILE HA H 48 3.557 3.557 3.463 0.094 25064 106 1 2 . 1 1 49 49 ALA HA H 49 4.202 4.202 3.937 0.265 25064 107 1 2 . 1 1 51 51 ILE HA H 51 3.373 3.373 3.699 -0.326 25064 108 1 2 . 1 1 52 52 ARG HA H 52 4.070 4.070 4.288 -0.218 25064 109 1 2 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.154 -0.185 25064 110 1 2 . 1 1 54 54 GLU HA H 54 4.362 4.362 4.295 0.067 25064 111 1 2 . 1 1 55 55 LEU HA H 55 4.682 4.682 4.522 0.160 25064 112 1 2 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.434 -0.017 25064 113 1 2 . 1 1 58 58 ASP HA H 58 4.686 4.686 4.545 0.141 25064 114 1 2 . 1 1 59 59 LEU HA H 59 4.501 4.501 4.443 0.058 25064 115 1 2 . 1 1 60 60 PRO HA H 60 4.412 4.412 4.402 0.010 25064 116 1 2 . 1 1 62 62 ARG HA H 62 4.059 4.059 4.003 0.056 25064 117 1 2 . 1 1 63 63 GLN HA H 63 4.023 4.023 4.103 -0.080 25064 118 1 2 . 1 1 64 64 LEU HA H 64 3.862 3.862 4.049 -0.187 25064 119 1 2 . 1 1 64 64 LEU H H 64 7.215 7.215 7.179 0.036 25064 120 1 2 . 1 1 65 65 PHE HA H 65 4.368 4.368 4.305 0.063 25064 121 1 2 . 1 1 66 66 SER HA H 66 4.372 4.372 4.468 -0.096 25064 122 1 2 . 1 1 68 68 PRO HA H 68 5.007 5.007 4.813 0.194 25064 123 1 2 . 1 1 69 69 THR HA H 69 5.524 5.524 5.559 -0.035 25064 124 1 2 . 1 1 70 70 PRO HA H 70 3.814 3.814 4.075 -0.261 25064 125 1 2 . 1 1 71 71 ALA HA H 71 4.129 4.129 4.268 -0.139 25064 126 1 2 . 1 1 73 73 VAL HA H 73 3.567 3.567 3.794 -0.227 25064 127 1 2 . 1 1 74 74 ALA HA H 74 3.777 3.777 3.944 -0.167 25064 128 1 2 . 1 1 75 75 ARG HA H 75 4.047 4.047 3.998 0.049 25064 129 1 2 . 1 1 77 77 LEU HA H 77 3.980 3.980 4.144 -0.164 25064 130 1 2 . 1 1 78 78 ALA HA H 78 4.169 4.169 3.897 0.272 25064 131 1 2 . 1 1 83 83 SER HA H 83 4.319 4.319 4.476 -0.157 25064 132 1 2 . 1 1 84 84 TRP HA H 84 4.678 4.678 4.252 0.426 25064 133 1 2 . 1 1 87 87 PRO HA H 87 4.329 4.329 4.638 -0.309 25064 134 1 2 . 1 1 89 89 PHE HA H 89 4.716 4.716 4.816 -0.100 25064 135 1 3 . 1 1 4 4 ALA HA H 4 4.260 4.260 4.332 -0.072 25064 136 1 3 . 1 1 6 6 ALA HA H 6 4.574 4.574 4.399 0.175 25064 137 1 3 . 1 1 7 7 PRO HA H 7 4.332 4.332 4.449 -0.117 25064 138 1 3 . 1 1 8 8 GLU HA H 8 4.364 4.364 4.210 0.154 25064 139 1 3 . 1 1 9 9 SER HA H 9 4.518 4.518 4.674 -0.156 25064 140 1 3 . 1 1 10 10 ALA HA H 10 4.109 4.109 4.033 0.076 25064 141 1 3 . 1 1 11 11 THR HA H 11 3.817 3.817 4.047 -0.230 25064 142 1 3 . 1 1 12 12 GLU HA H 12 3.558 3.558 3.913 -0.355 25064 143 1 3 . 1 1 13 13 LYS HA H 13 3.886 3.886 4.037 -0.151 25064 144 1 3 . 1 1 14 14 VAL HA H 14 3.778 3.778 3.787 -0.009 25064 145 1 3 . 1 1 15 15 LEU HA H 15 3.971 3.971 4.165 -0.194 25064 146 1 3 . 1 1 17 17 ALA HA H 17 4.204 4.204 4.105 0.099 25064 147 1 3 . 1 1 18 18 LEU HA H 18 4.174 4.174 4.331 -0.157 25064 148 1 3 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.138 -0.162 25064 149 1 3 . 1 1 20 20 ALA HA H 20 3.878 3.878 3.961 -0.083 25064 150 1 3 . 1 1 21 21 GLU HA H 21 3.984 3.984 4.089 -0.105 25064 151 1 3 . 1 1 22 22 ILE HA H 22 3.902 3.902 3.995 -0.093 25064 152 1 3 . 1 1 23 23 LEU HA H 23 4.129 4.129 4.204 -0.075 25064 153 1 3 . 1 1 25 25 VAL HA H 25 4.598 4.598 4.494 0.104 25064 154 1 3 . 1 1 26 26 GLU HA H 26 4.016 4.016 4.213 -0.197 25064 155 1 3 . 1 1 27 27 ARG HA H 27 4.471 4.471 4.615 -0.144 25064 156 1 3 . 1 1 28 28 VAL HA H 28 4.090 4.090 4.354 -0.264 25064 157 1 3 . 1 1 30 30 VAL HA H 30 3.570 3.570 3.893 -0.323 25064 158 1 3 . 1 1 31 31 ASP HA H 31 5.046 5.046 4.782 0.264 25064 159 1 3 . 1 1 32 32 ASP HA H 32 4.615 4.615 4.617 -0.002 25064 160 1 3 . 1 1 33 33 ALA HA H 33 4.101 4.101 4.612 -0.511 25064 161 1 3 . 1 1 34 34 PHE HA H 34 3.973 3.973 4.046 -0.073 25064 162 1 3 . 1 1 35 35 HIS HA H 35 4.297 4.297 4.777 -0.480 25064 163 1 3 . 1 1 36 36 ASP HA H 36 4.515 4.515 4.651 -0.136 25064 164 1 3 . 1 1 37 37 LEU HA H 37 4.353 4.353 4.322 0.031 25064 165 1 3 . 1 1 37 37 LEU H H 37 7.119 7.119 7.670 -0.551 25064 166 1 3 . 1 1 42 42 ALA HA H 42 4.210 4.210 4.288 -0.078 25064 167 1 3 . 1 1 43 43 LEU HA H 43 4.139 4.139 4.166 -0.027 25064 168 1 3 . 1 1 44 44 ALA HA H 44 3.604 3.604 3.782 -0.178 25064 169 1 3 . 1 1 45 45 MET HA H 45 4.171 4.171 4.115 0.056 25064 170 1 3 . 1 1 46 46 ARG HA H 46 4.177 4.177 4.207 -0.030 25064 171 1 3 . 1 1 47 47 LEU HA H 47 3.886 3.886 4.104 -0.218 25064 172 1 3 . 1 1 48 48 ILE HA H 48 3.557 3.557 3.464 0.093 25064 173 1 3 . 1 1 49 49 ALA HA H 49 4.202 4.202 3.937 0.265 25064 174 1 3 . 1 1 51 51 ILE HA H 51 3.373 3.373 3.745 -0.372 25064 175 1 3 . 1 1 52 52 ARG HA H 52 4.070 4.070 4.266 -0.196 25064 176 1 3 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.186 -0.217 25064 177 1 3 . 1 1 54 54 GLU HA H 54 4.362 4.362 4.274 0.088 25064 178 1 3 . 1 1 55 55 LEU HA H 55 4.682 4.682 4.608 0.074 25064 179 1 3 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.453 -0.036 25064 180 1 3 . 1 1 58 58 ASP HA H 58 4.686 4.686 4.547 0.139 25064 181 1 3 . 1 1 59 59 LEU HA H 59 4.501 4.501 4.382 0.119 25064 182 1 3 . 1 1 60 60 PRO HA H 60 4.412 4.412 4.389 0.023 25064 183 1 3 . 1 1 62 62 ARG HA H 62 4.059 4.059 3.908 0.151 25064 184 1 3 . 1 1 63 63 GLN HA H 63 4.023 4.023 4.122 -0.099 25064 185 1 3 . 1 1 64 64 LEU HA H 64 3.862 3.862 4.060 -0.198 25064 186 1 3 . 1 1 64 64 LEU H H 64 7.215 7.215 7.408 -0.193 25064 187 1 3 . 1 1 65 65 PHE HA H 65 4.368 4.368 4.299 0.069 25064 188 1 3 . 1 1 66 66 SER HA H 66 4.372 4.372 4.437 -0.065 25064 189 1 3 . 1 1 68 68 PRO HA H 68 5.007 5.007 4.863 0.144 25064 190 1 3 . 1 1 69 69 THR HA H 69 5.524 5.524 5.368 0.156 25064 191 1 3 . 1 1 70 70 PRO HA H 70 3.814 3.814 4.113 -0.299 25064 192 1 3 . 1 1 71 71 ALA HA H 71 4.129 4.129 4.402 -0.273 25064 193 1 3 . 1 1 73 73 VAL HA H 73 3.567 3.567 3.780 -0.213 25064 194 1 3 . 1 1 74 74 ALA HA H 74 3.777 3.777 3.995 -0.218 25064 195 1 3 . 1 1 75 75 ARG HA H 75 4.047 4.047 4.080 -0.033 25064 196 1 3 . 1 1 77 77 LEU HA H 77 3.980 3.980 4.288 -0.308 25064 197 1 3 . 1 1 78 78 ALA HA H 78 4.169 4.169 3.991 0.178 25064 198 1 3 . 1 1 83 83 SER HA H 83 4.319 4.319 4.430 -0.111 25064 199 1 3 . 1 1 84 84 TRP HA H 84 4.678 4.678 4.680 -0.002 25064 200 1 3 . 1 1 87 87 PRO HA H 87 4.329 4.329 4.521 -0.192 25064 201 1 3 . 1 1 89 89 PHE HA H 89 4.716 4.716 4.612 0.104 25064 202 1 4 . 1 1 4 4 ALA HA H 4 4.260 4.260 4.394 -0.134 25064 203 1 4 . 1 1 6 6 ALA HA H 6 4.574 4.574 4.551 0.023 25064 204 1 4 . 1 1 7 7 PRO HA H 7 4.332 4.332 4.582 -0.250 25064 205 1 4 . 1 1 8 8 GLU HA H 8 4.364 4.364 4.399 -0.035 25064 206 1 4 . 1 1 9 9 SER HA H 9 4.518 4.518 4.565 -0.047 25064 207 1 4 . 1 1 10 10 ALA HA H 10 4.109 4.109 4.278 -0.169 25064 208 1 4 . 1 1 11 11 THR HA H 11 3.817 3.817 3.873 -0.056 25064 209 1 4 . 1 1 12 12 GLU HA H 12 3.558 3.558 3.999 -0.441 25064 210 1 4 . 1 1 13 13 LYS HA H 13 3.886 3.886 3.999 -0.113 25064 211 1 4 . 1 1 14 14 VAL HA H 14 3.778 3.778 3.723 0.055 25064 212 1 4 . 1 1 15 15 LEU HA H 15 3.971 3.971 4.053 -0.082 25064 213 1 4 . 1 1 17 17 ALA HA H 17 4.204 4.204 4.092 0.112 25064 214 1 4 . 1 1 18 18 LEU HA H 18 4.174 4.174 4.069 0.105 25064 215 1 4 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.206 -0.230 25064 216 1 4 . 1 1 20 20 ALA HA H 20 3.878 3.878 3.984 -0.106 25064 217 1 4 . 1 1 21 21 GLU HA H 21 3.984 3.984 4.123 -0.139 25064 218 1 4 . 1 1 22 22 ILE HA H 22 3.902 3.902 4.110 -0.208 25064 219 1 4 . 1 1 23 23 LEU HA H 23 4.129 4.129 4.190 -0.061 25064 220 1 4 . 1 1 25 25 VAL HA H 25 4.598 4.598 4.452 0.146 25064 221 1 4 . 1 1 26 26 GLU HA H 26 4.016 4.016 4.198 -0.182 25064 222 1 4 . 1 1 27 27 ARG HA H 27 4.471 4.471 4.564 -0.093 25064 223 1 4 . 1 1 28 28 VAL HA H 28 4.090 4.090 4.575 -0.485 25064 224 1 4 . 1 1 30 30 VAL HA H 30 3.570 3.570 4.029 -0.459 25064 225 1 4 . 1 1 31 31 ASP HA H 31 5.046 5.046 4.833 0.213 25064 226 1 4 . 1 1 32 32 ASP HA H 32 4.615 4.615 4.608 0.007 25064 227 1 4 . 1 1 33 33 ALA HA H 33 4.101 4.101 4.442 -0.341 25064 228 1 4 . 1 1 34 34 PHE HA H 34 3.973 3.973 3.978 -0.005 25064 229 1 4 . 1 1 35 35 HIS HA H 35 4.297 4.297 4.472 -0.175 25064 230 1 4 . 1 1 36 36 ASP HA H 36 4.515 4.515 4.548 -0.033 25064 231 1 4 . 1 1 37 37 LEU HA H 37 4.353 4.353 4.281 0.072 25064 232 1 4 . 1 1 37 37 LEU H H 37 7.119 7.119 7.435 -0.316 25064 233 1 4 . 1 1 42 42 ALA HA H 42 4.210 4.210 4.199 0.011 25064 234 1 4 . 1 1 43 43 LEU HA H 43 4.139 4.139 4.181 -0.042 25064 235 1 4 . 1 1 44 44 ALA HA H 44 3.604 3.604 3.661 -0.057 25064 236 1 4 . 1 1 45 45 MET HA H 45 4.171 4.171 4.039 0.132 25064 237 1 4 . 1 1 46 46 ARG HA H 46 4.177 4.177 4.126 0.051 25064 238 1 4 . 1 1 47 47 LEU HA H 47 3.886 3.886 4.131 -0.245 25064 239 1 4 . 1 1 48 48 ILE HA H 48 3.557 3.557 3.478 0.079 25064 240 1 4 . 1 1 49 49 ALA HA H 49 4.202 4.202 3.956 0.246 25064 241 1 4 . 1 1 51 51 ILE HA H 51 3.373 3.373 3.613 -0.240 25064 242 1 4 . 1 1 52 52 ARG HA H 52 4.070 4.070 4.263 -0.193 25064 243 1 4 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.206 -0.237 25064 244 1 4 . 1 1 54 54 GLU HA H 54 4.362 4.362 4.275 0.087 25064 245 1 4 . 1 1 55 55 LEU HA H 55 4.682 4.682 4.503 0.179 25064 246 1 4 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.423 -0.006 25064 247 1 4 . 1 1 58 58 ASP HA H 58 4.686 4.686 4.557 0.129 25064 248 1 4 . 1 1 59 59 LEU HA H 59 4.501 4.501 4.599 -0.098 25064 249 1 4 . 1 1 60 60 PRO HA H 60 4.412 4.412 4.431 -0.019 25064 250 1 4 . 1 1 62 62 ARG HA H 62 4.059 4.059 3.927 0.132 25064 251 1 4 . 1 1 63 63 GLN HA H 63 4.023 4.023 4.097 -0.074 25064 252 1 4 . 1 1 64 64 LEU HA H 64 3.862 3.862 4.068 -0.206 25064 253 1 4 . 1 1 64 64 LEU H H 64 7.215 7.215 7.261 -0.046 25064 254 1 4 . 1 1 65 65 PHE HA H 65 4.368 4.368 4.414 -0.046 25064 255 1 4 . 1 1 66 66 SER HA H 66 4.372 4.372 4.452 -0.080 25064 256 1 4 . 1 1 68 68 PRO HA H 68 5.007 5.007 4.934 0.073 25064 257 1 4 . 1 1 69 69 THR HA H 69 5.524 5.524 5.556 -0.032 25064 258 1 4 . 1 1 70 70 PRO HA H 70 3.814 3.814 4.146 -0.332 25064 259 1 4 . 1 1 71 71 ALA HA H 71 4.129 4.129 4.209 -0.080 25064 260 1 4 . 1 1 73 73 VAL HA H 73 3.567 3.567 3.560 0.007 25064 261 1 4 . 1 1 74 74 ALA HA H 74 3.777 3.777 3.930 -0.153 25064 262 1 4 . 1 1 75 75 ARG HA H 75 4.047 4.047 4.042 0.005 25064 263 1 4 . 1 1 77 77 LEU HA H 77 3.980 3.980 4.389 -0.409 25064 264 1 4 . 1 1 78 78 ALA HA H 78 4.169 4.169 4.055 0.114 25064 265 1 4 . 1 1 83 83 SER HA H 83 4.319 4.319 4.170 0.149 25064 266 1 4 . 1 1 84 84 TRP HA H 84 4.678 4.678 4.814 -0.136 25064 267 1 4 . 1 1 87 87 PRO HA H 87 4.329 4.329 4.530 -0.201 25064 268 1 4 . 1 1 89 89 PHE HA H 89 4.716 4.716 4.487 0.229 25064 269 1 5 . 1 1 4 4 ALA HA H 4 4.260 4.260 4.370 -0.110 25064 270 1 5 . 1 1 6 6 ALA HA H 6 4.574 4.574 4.433 0.141 25064 271 1 5 . 1 1 7 7 PRO HA H 7 4.332 4.332 4.486 -0.154 25064 272 1 5 . 1 1 8 8 GLU HA H 8 4.364 4.364 4.287 0.077 25064 273 1 5 . 1 1 9 9 SER HA H 9 4.518 4.518 4.571 -0.053 25064 274 1 5 . 1 1 10 10 ALA HA H 10 4.109 4.109 4.087 0.022 25064 275 1 5 . 1 1 11 11 THR HA H 11 3.817 3.817 4.109 -0.292 25064 276 1 5 . 1 1 12 12 GLU HA H 12 3.558 3.558 3.947 -0.389 25064 277 1 5 . 1 1 13 13 LYS HA H 13 3.886 3.886 4.246 -0.360 25064 278 1 5 . 1 1 14 14 VAL HA H 14 3.778 3.778 3.785 -0.007 25064 279 1 5 . 1 1 15 15 LEU HA H 15 3.971 3.971 3.987 -0.016 25064 280 1 5 . 1 1 17 17 ALA HA H 17 4.204 4.204 4.100 0.104 25064 281 1 5 . 1 1 18 18 LEU HA H 18 4.174 4.174 4.094 0.080 25064 282 1 5 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.193 -0.217 25064 283 1 5 . 1 1 20 20 ALA HA H 20 3.878 3.878 3.958 -0.080 25064 284 1 5 . 1 1 21 21 GLU HA H 21 3.984 3.984 4.113 -0.129 25064 285 1 5 . 1 1 22 22 ILE HA H 22 3.902 3.902 4.048 -0.146 25064 286 1 5 . 1 1 23 23 LEU HA H 23 4.129 4.129 4.092 0.037 25064 287 1 5 . 1 1 25 25 VAL HA H 25 4.598 4.598 4.496 0.102 25064 288 1 5 . 1 1 26 26 GLU HA H 26 4.016 4.016 4.210 -0.194 25064 289 1 5 . 1 1 27 27 ARG HA H 27 4.471 4.471 4.549 -0.078 25064 290 1 5 . 1 1 28 28 VAL HA H 28 4.090 4.090 4.543 -0.453 25064 291 1 5 . 1 1 30 30 VAL HA H 30 3.570 3.570 3.869 -0.299 25064 292 1 5 . 1 1 31 31 ASP HA H 31 5.046 5.046 4.793 0.253 25064 293 1 5 . 1 1 32 32 ASP HA H 32 4.615 4.615 4.694 -0.079 25064 294 1 5 . 1 1 33 33 ALA HA H 33 4.101 4.101 4.622 -0.521 25064 295 1 5 . 1 1 34 34 PHE HA H 34 3.973 3.973 4.017 -0.044 25064 296 1 5 . 1 1 35 35 HIS HA H 35 4.297 4.297 4.667 -0.370 25064 297 1 5 . 1 1 36 36 ASP HA H 36 4.515 4.515 4.525 -0.010 25064 298 1 5 . 1 1 37 37 LEU HA H 37 4.353 4.353 4.277 0.076 25064 299 1 5 . 1 1 37 37 LEU H H 37 7.119 7.119 7.487 -0.368 25064 300 1 5 . 1 1 42 42 ALA HA H 42 4.210 4.210 4.264 -0.054 25064 301 1 5 . 1 1 43 43 LEU HA H 43 4.139 4.139 4.173 -0.034 25064 302 1 5 . 1 1 44 44 ALA HA H 44 3.604 3.604 3.833 -0.230 25064 303 1 5 . 1 1 45 45 MET HA H 45 4.171 4.171 4.157 0.014 25064 304 1 5 . 1 1 46 46 ARG HA H 46 4.177 4.177 4.182 -0.005 25064 305 1 5 . 1 1 47 47 LEU HA H 47 3.886 3.886 4.071 -0.185 25064 306 1 5 . 1 1 48 48 ILE HA H 48 3.557 3.557 3.469 0.088 25064 307 1 5 . 1 1 49 49 ALA HA H 49 4.202 4.202 3.997 0.205 25064 308 1 5 . 1 1 51 51 ILE HA H 51 3.373 3.373 3.720 -0.347 25064 309 1 5 . 1 1 52 52 ARG HA H 52 4.070 4.070 4.254 -0.184 25064 310 1 5 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.210 -0.241 25064 311 1 5 . 1 1 54 54 GLU HA H 54 4.362 4.362 4.304 0.058 25064 312 1 5 . 1 1 55 55 LEU HA H 55 4.682 4.682 4.530 0.152 25064 313 1 5 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.403 0.014 25064 314 1 5 . 1 1 58 58 ASP HA H 58 4.686 4.686 4.531 0.155 25064 315 1 5 . 1 1 59 59 LEU HA H 59 4.501 4.501 4.437 0.064 25064 316 1 5 . 1 1 60 60 PRO HA H 60 4.412 4.412 4.446 -0.034 25064 317 1 5 . 1 1 62 62 ARG HA H 62 4.059 4.059 3.935 0.124 25064 318 1 5 . 1 1 63 63 GLN HA H 63 4.023 4.023 4.168 -0.145 25064 319 1 5 . 1 1 64 64 LEU HA H 64 3.862 3.862 4.025 -0.163 25064 320 1 5 . 1 1 64 64 LEU H H 64 7.215 7.215 7.315 -0.100 25064 321 1 5 . 1 1 65 65 PHE HA H 65 4.368 4.368 4.359 0.009 25064 322 1 5 . 1 1 66 66 SER HA H 66 4.372 4.372 4.252 0.120 25064 323 1 5 . 1 1 68 68 PRO HA H 68 5.007 5.007 4.990 0.017 25064 324 1 5 . 1 1 69 69 THR HA H 69 5.524 5.524 5.579 -0.055 25064 325 1 5 . 1 1 70 70 PRO HA H 70 3.814 3.814 4.068 -0.254 25064 326 1 5 . 1 1 71 71 ALA HA H 71 4.129 4.129 4.242 -0.113 25064 327 1 5 . 1 1 73 73 VAL HA H 73 3.567 3.567 3.742 -0.175 25064 328 1 5 . 1 1 74 74 ALA HA H 74 3.777 3.777 3.977 -0.200 25064 329 1 5 . 1 1 75 75 ARG HA H 75 4.047 4.047 4.074 -0.027 25064 330 1 5 . 1 1 77 77 LEU HA H 77 3.980 3.980 4.257 -0.277 25064 331 1 5 . 1 1 78 78 ALA HA H 78 4.169 4.169 3.982 0.187 25064 332 1 5 . 1 1 83 83 SER HA H 83 4.319 4.319 4.447 -0.128 25064 333 1 5 . 1 1 84 84 TRP HA H 84 4.678 4.678 4.255 0.423 25064 334 1 5 . 1 1 87 87 PRO HA H 87 4.329 4.329 4.610 -0.281 25064 335 1 5 . 1 1 89 89 PHE HA H 89 4.716 4.716 4.524 0.192 25064 336 1 6 . 1 1 4 4 ALA HA H 4 4.260 4.260 4.462 -0.202 25064 337 1 6 . 1 1 6 6 ALA HA H 6 4.574 4.574 4.630 -0.056 25064 338 1 6 . 1 1 7 7 PRO HA H 7 4.332 4.332 4.530 -0.198 25064 339 1 6 . 1 1 8 8 GLU HA H 8 4.364 4.364 4.418 -0.054 25064 340 1 6 . 1 1 9 9 SER HA H 9 4.518 4.518 4.583 -0.065 25064 341 1 6 . 1 1 10 10 ALA HA H 10 4.109 4.109 4.124 -0.015 25064 342 1 6 . 1 1 11 11 THR HA H 11 3.817 3.817 3.975 -0.158 25064 343 1 6 . 1 1 12 12 GLU HA H 12 3.558 3.558 4.016 -0.458 25064 344 1 6 . 1 1 13 13 LYS HA H 13 3.886 3.886 3.963 -0.077 25064 345 1 6 . 1 1 14 14 VAL HA H 14 3.778 3.778 3.748 0.030 25064 346 1 6 . 1 1 15 15 LEU HA H 15 3.971 3.971 3.999 -0.028 25064 347 1 6 . 1 1 17 17 ALA HA H 17 4.204 4.204 4.122 0.082 25064 348 1 6 . 1 1 18 18 LEU HA H 18 4.174 4.174 3.999 0.175 25064 349 1 6 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.220 -0.244 25064 350 1 6 . 1 1 20 20 ALA HA H 20 3.878 3.878 4.004 -0.126 25064 351 1 6 . 1 1 21 21 GLU HA H 21 3.984 3.984 4.152 -0.168 25064 352 1 6 . 1 1 22 22 ILE HA H 22 3.902 3.902 4.040 -0.138 25064 353 1 6 . 1 1 23 23 LEU HA H 23 4.129 4.129 4.156 -0.027 25064 354 1 6 . 1 1 25 25 VAL HA H 25 4.598 4.598 4.428 0.170 25064 355 1 6 . 1 1 26 26 GLU HA H 26 4.016 4.016 4.185 -0.169 25064 356 1 6 . 1 1 27 27 ARG HA H 27 4.471 4.471 4.503 -0.032 25064 357 1 6 . 1 1 28 28 VAL HA H 28 4.090 4.090 4.497 -0.407 25064 358 1 6 . 1 1 30 30 VAL HA H 30 3.570 3.570 4.001 -0.431 25064 359 1 6 . 1 1 31 31 ASP HA H 31 5.046 5.046 4.855 0.191 25064 360 1 6 . 1 1 32 32 ASP HA H 32 4.615 4.615 4.682 -0.067 25064 361 1 6 . 1 1 33 33 ALA HA H 33 4.101 4.101 4.507 -0.406 25064 362 1 6 . 1 1 34 34 PHE HA H 34 3.973 3.973 3.967 0.006 25064 363 1 6 . 1 1 35 35 HIS HA H 35 4.297 4.297 4.393 -0.096 25064 364 1 6 . 1 1 36 36 ASP HA H 36 4.515 4.515 4.623 -0.108 25064 365 1 6 . 1 1 37 37 LEU HA H 37 4.353 4.353 4.259 0.094 25064 366 1 6 . 1 1 37 37 LEU H H 37 7.119 7.119 7.566 -0.447 25064 367 1 6 . 1 1 42 42 ALA HA H 42 4.210 4.210 4.242 -0.032 25064 368 1 6 . 1 1 43 43 LEU HA H 43 4.139 4.139 4.141 -0.002 25064 369 1 6 . 1 1 44 44 ALA HA H 44 3.604 3.604 3.697 -0.093 25064 370 1 6 . 1 1 45 45 MET HA H 45 4.171 4.171 4.080 0.091 25064 371 1 6 . 1 1 46 46 ARG HA H 46 4.177 4.177 4.064 0.113 25064 372 1 6 . 1 1 47 47 LEU HA H 47 3.886 3.886 4.080 -0.194 25064 373 1 6 . 1 1 48 48 ILE HA H 48 3.557 3.557 3.480 0.077 25064 374 1 6 . 1 1 49 49 ALA HA H 49 4.202 4.202 3.958 0.244 25064 375 1 6 . 1 1 51 51 ILE HA H 51 3.373 3.373 3.745 -0.372 25064 376 1 6 . 1 1 52 52 ARG HA H 52 4.070 4.070 4.303 -0.233 25064 377 1 6 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.153 -0.184 25064 378 1 6 . 1 1 54 54 GLU HA H 54 4.362 4.362 4.272 0.090 25064 379 1 6 . 1 1 55 55 LEU HA H 55 4.682 4.682 4.566 0.116 25064 380 1 6 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.587 -0.170 25064 381 1 6 . 1 1 58 58 ASP HA H 58 4.686 4.686 4.684 0.002 25064 382 1 6 . 1 1 59 59 LEU HA H 59 4.501 4.501 4.566 -0.065 25064 383 1 6 . 1 1 60 60 PRO HA H 60 4.412 4.412 4.427 -0.015 25064 384 1 6 . 1 1 62 62 ARG HA H 62 4.059 4.059 3.896 0.163 25064 385 1 6 . 1 1 63 63 GLN HA H 63 4.023 4.023 4.129 -0.106 25064 386 1 6 . 1 1 64 64 LEU HA H 64 3.862 3.862 3.984 -0.122 25064 387 1 6 . 1 1 64 64 LEU H H 64 7.215 7.215 7.204 0.011 25064 388 1 6 . 1 1 65 65 PHE HA H 65 4.368 4.368 4.318 0.050 25064 389 1 6 . 1 1 66 66 SER HA H 66 4.372 4.372 4.444 -0.072 25064 390 1 6 . 1 1 68 68 PRO HA H 68 5.007 5.007 4.762 0.245 25064 391 1 6 . 1 1 69 69 THR HA H 69 5.524 5.524 5.627 -0.103 25064 392 1 6 . 1 1 70 70 PRO HA H 70 3.814 3.814 4.151 -0.337 25064 393 1 6 . 1 1 71 71 ALA HA H 71 4.129 4.129 4.215 -0.086 25064 394 1 6 . 1 1 73 73 VAL HA H 73 3.567 3.567 3.669 -0.102 25064 395 1 6 . 1 1 74 74 ALA HA H 74 3.777 3.777 3.957 -0.180 25064 396 1 6 . 1 1 75 75 ARG HA H 75 4.047 4.047 4.071 -0.024 25064 397 1 6 . 1 1 77 77 LEU HA H 77 3.980 3.980 4.323 -0.343 25064 398 1 6 . 1 1 78 78 ALA HA H 78 4.169 4.169 4.105 0.064 25064 399 1 6 . 1 1 83 83 SER HA H 83 4.319 4.319 4.490 -0.171 25064 400 1 6 . 1 1 84 84 TRP HA H 84 4.678 4.678 4.615 0.063 25064 401 1 6 . 1 1 87 87 PRO HA H 87 4.329 4.329 4.459 -0.130 25064 402 1 6 . 1 1 89 89 PHE HA H 89 4.716 4.716 4.594 0.122 25064 403 1 7 . 1 1 4 4 ALA HA H 4 4.260 4.260 4.419 -0.159 25064 404 1 7 . 1 1 6 6 ALA HA H 6 4.574 4.574 4.398 0.176 25064 405 1 7 . 1 1 7 7 PRO HA H 7 4.332 4.332 4.422 -0.090 25064 406 1 7 . 1 1 8 8 GLU HA H 8 4.364 4.364 4.539 -0.175 25064 407 1 7 . 1 1 9 9 SER HA H 9 4.518 4.518 4.742 -0.224 25064 408 1 7 . 1 1 10 10 ALA HA H 10 4.109 4.109 4.136 -0.027 25064 409 1 7 . 1 1 11 11 THR HA H 11 3.817 3.817 3.964 -0.147 25064 410 1 7 . 1 1 12 12 GLU HA H 12 3.558 3.558 3.957 -0.399 25064 411 1 7 . 1 1 13 13 LYS HA H 13 3.886 3.886 4.041 -0.155 25064 412 1 7 . 1 1 14 14 VAL HA H 14 3.778 3.778 3.822 -0.044 25064 413 1 7 . 1 1 15 15 LEU HA H 15 3.971 3.971 4.181 -0.210 25064 414 1 7 . 1 1 17 17 ALA HA H 17 4.204 4.204 4.082 0.122 25064 415 1 7 . 1 1 18 18 LEU HA H 18 4.174 4.174 4.082 0.092 25064 416 1 7 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.148 -0.172 25064 417 1 7 . 1 1 20 20 ALA HA H 20 3.878 3.878 3.989 -0.111 25064 418 1 7 . 1 1 21 21 GLU HA H 21 3.984 3.984 4.150 -0.166 25064 419 1 7 . 1 1 22 22 ILE HA H 22 3.902 3.902 4.048 -0.146 25064 420 1 7 . 1 1 23 23 LEU HA H 23 4.129 4.129 4.230 -0.101 25064 421 1 7 . 1 1 25 25 VAL HA H 25 4.598 4.598 4.515 0.083 25064 422 1 7 . 1 1 26 26 GLU HA H 26 4.016 4.016 4.161 -0.145 25064 423 1 7 . 1 1 27 27 ARG HA H 27 4.471 4.471 4.613 -0.142 25064 424 1 7 . 1 1 28 28 VAL HA H 28 4.090 4.090 4.531 -0.441 25064 425 1 7 . 1 1 30 30 VAL HA H 30 3.570 3.570 3.879 -0.309 25064 426 1 7 . 1 1 31 31 ASP HA H 31 5.046 5.046 4.822 0.224 25064 427 1 7 . 1 1 32 32 ASP HA H 32 4.615 4.615 4.585 0.030 25064 428 1 7 . 1 1 33 33 ALA HA H 33 4.101 4.101 4.578 -0.477 25064 429 1 7 . 1 1 34 34 PHE HA H 34 3.973 3.973 4.059 -0.086 25064 430 1 7 . 1 1 35 35 HIS HA H 35 4.297 4.297 4.715 -0.418 25064 431 1 7 . 1 1 36 36 ASP HA H 36 4.515 4.515 4.546 -0.031 25064 432 1 7 . 1 1 37 37 LEU HA H 37 4.353 4.353 4.233 0.120 25064 433 1 7 . 1 1 37 37 LEU H H 37 7.119 7.119 7.652 -0.532 25064 434 1 7 . 1 1 42 42 ALA HA H 42 4.210 4.210 4.251 -0.041 25064 435 1 7 . 1 1 43 43 LEU HA H 43 4.139 4.139 4.202 -0.063 25064 436 1 7 . 1 1 44 44 ALA HA H 44 3.604 3.604 3.789 -0.185 25064 437 1 7 . 1 1 45 45 MET HA H 45 4.171 4.171 4.022 0.149 25064 438 1 7 . 1 1 46 46 ARG HA H 46 4.177 4.177 4.164 0.013 25064 439 1 7 . 1 1 47 47 LEU HA H 47 3.886 3.886 4.090 -0.204 25064 440 1 7 . 1 1 48 48 ILE HA H 48 3.557 3.557 3.463 0.094 25064 441 1 7 . 1 1 49 49 ALA HA H 49 4.202 4.202 3.939 0.263 25064 442 1 7 . 1 1 51 51 ILE HA H 51 3.373 3.373 3.676 -0.303 25064 443 1 7 . 1 1 52 52 ARG HA H 52 4.070 4.070 4.236 -0.166 25064 444 1 7 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.135 -0.166 25064 445 1 7 . 1 1 54 54 GLU HA H 54 4.362 4.362 4.275 0.087 25064 446 1 7 . 1 1 55 55 LEU HA H 55 4.682 4.682 4.619 0.063 25064 447 1 7 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.456 -0.039 25064 448 1 7 . 1 1 58 58 ASP HA H 58 4.686 4.686 4.552 0.134 25064 449 1 7 . 1 1 59 59 LEU HA H 59 4.501 4.501 4.383 0.118 25064 450 1 7 . 1 1 60 60 PRO HA H 60 4.412 4.412 4.419 -0.007 25064 451 1 7 . 1 1 62 62 ARG HA H 62 4.059 4.059 3.910 0.149 25064 452 1 7 . 1 1 63 63 GLN HA H 63 4.023 4.023 4.111 -0.088 25064 453 1 7 . 1 1 64 64 LEU HA H 64 3.862 3.862 3.964 -0.102 25064 454 1 7 . 1 1 64 64 LEU H H 64 7.215 7.215 7.377 -0.162 25064 455 1 7 . 1 1 65 65 PHE HA H 65 4.368 4.368 4.342 0.026 25064 456 1 7 . 1 1 66 66 SER HA H 66 4.372 4.372 4.364 0.008 25064 457 1 7 . 1 1 68 68 PRO HA H 68 5.007 5.007 5.021 -0.014 25064 458 1 7 . 1 1 69 69 THR HA H 69 5.524 5.524 5.512 0.012 25064 459 1 7 . 1 1 70 70 PRO HA H 70 3.814 3.814 4.047 -0.233 25064 460 1 7 . 1 1 71 71 ALA HA H 71 4.129 4.129 4.190 -0.061 25064 461 1 7 . 1 1 73 73 VAL HA H 73 3.567 3.567 3.623 -0.056 25064 462 1 7 . 1 1 74 74 ALA HA H 74 3.777 3.777 3.987 -0.210 25064 463 1 7 . 1 1 75 75 ARG HA H 75 4.047 4.047 4.046 0.001 25064 464 1 7 . 1 1 77 77 LEU HA H 77 3.980 3.980 4.160 -0.180 25064 465 1 7 . 1 1 78 78 ALA HA H 78 4.169 4.169 3.973 0.196 25064 466 1 7 . 1 1 83 83 SER HA H 83 4.319 4.319 4.339 -0.020 25064 467 1 7 . 1 1 84 84 TRP HA H 84 4.678 4.678 4.848 -0.170 25064 468 1 7 . 1 1 87 87 PRO HA H 87 4.329 4.329 4.605 -0.276 25064 469 1 7 . 1 1 89 89 PHE HA H 89 4.716 4.716 5.053 -0.337 25064 470 1 8 . 1 1 4 4 ALA HA H 4 4.260 4.260 4.462 -0.202 25064 471 1 8 . 1 1 6 6 ALA HA H 6 4.574 4.574 4.573 0.001 25064 472 1 8 . 1 1 7 7 PRO HA H 7 4.332 4.332 4.493 -0.161 25064 473 1 8 . 1 1 8 8 GLU HA H 8 4.364 4.364 4.317 0.047 25064 474 1 8 . 1 1 9 9 SER HA H 9 4.518 4.518 4.590 -0.072 25064 475 1 8 . 1 1 10 10 ALA HA H 10 4.109 4.109 4.039 0.070 25064 476 1 8 . 1 1 11 11 THR HA H 11 3.817 3.817 3.983 -0.166 25064 477 1 8 . 1 1 12 12 GLU HA H 12 3.558 3.558 3.952 -0.394 25064 478 1 8 . 1 1 13 13 LYS HA H 13 3.886 3.886 4.038 -0.152 25064 479 1 8 . 1 1 14 14 VAL HA H 14 3.778 3.778 3.775 0.003 25064 480 1 8 . 1 1 15 15 LEU HA H 15 3.971 3.971 4.035 -0.064 25064 481 1 8 . 1 1 17 17 ALA HA H 17 4.204 4.204 4.053 0.151 25064 482 1 8 . 1 1 18 18 LEU HA H 18 4.174 4.174 3.988 0.186 25064 483 1 8 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.281 -0.305 25064 484 1 8 . 1 1 20 20 ALA HA H 20 3.878 3.878 3.953 -0.075 25064 485 1 8 . 1 1 21 21 GLU HA H 21 3.984 3.984 4.043 -0.059 25064 486 1 8 . 1 1 22 22 ILE HA H 22 3.902 3.902 3.940 -0.038 25064 487 1 8 . 1 1 23 23 LEU HA H 23 4.129 4.129 4.207 -0.078 25064 488 1 8 . 1 1 25 25 VAL HA H 25 4.598 4.598 4.433 0.165 25064 489 1 8 . 1 1 26 26 GLU HA H 26 4.016 4.016 4.181 -0.165 25064 490 1 8 . 1 1 27 27 ARG HA H 27 4.471 4.471 4.582 -0.111 25064 491 1 8 . 1 1 28 28 VAL HA H 28 4.090 4.090 4.544 -0.454 25064 492 1 8 . 1 1 30 30 VAL HA H 30 3.570 3.570 3.952 -0.382 25064 493 1 8 . 1 1 31 31 ASP HA H 31 5.046 5.046 4.831 0.215 25064 494 1 8 . 1 1 32 32 ASP HA H 32 4.615 4.615 4.653 -0.038 25064 495 1 8 . 1 1 33 33 ALA HA H 33 4.101 4.101 4.526 -0.425 25064 496 1 8 . 1 1 34 34 PHE HA H 34 3.973 3.973 3.974 -0.001 25064 497 1 8 . 1 1 35 35 HIS HA H 35 4.297 4.297 4.556 -0.259 25064 498 1 8 . 1 1 36 36 ASP HA H 36 4.515 4.515 4.526 -0.011 25064 499 1 8 . 1 1 37 37 LEU HA H 37 4.353 4.353 4.240 0.113 25064 500 1 8 . 1 1 37 37 LEU H H 37 7.119 7.119 7.681 -0.562 25064 501 1 8 . 1 1 42 42 ALA HA H 42 4.210 4.210 4.208 0.002 25064 502 1 8 . 1 1 43 43 LEU HA H 43 4.139 4.139 4.199 -0.060 25064 503 1 8 . 1 1 44 44 ALA HA H 44 3.604 3.604 3.732 -0.128 25064 504 1 8 . 1 1 45 45 MET HA H 45 4.171 4.171 4.143 0.028 25064 505 1 8 . 1 1 46 46 ARG HA H 46 4.177 4.177 4.180 -0.003 25064 506 1 8 . 1 1 47 47 LEU HA H 47 3.886 3.886 4.154 -0.268 25064 507 1 8 . 1 1 48 48 ILE HA H 48 3.557 3.557 3.488 0.069 25064 508 1 8 . 1 1 49 49 ALA HA H 49 4.202 4.202 3.994 0.208 25064 509 1 8 . 1 1 51 51 ILE HA H 51 3.373 3.373 3.687 -0.314 25064 510 1 8 . 1 1 52 52 ARG HA H 52 4.070 4.070 4.326 -0.256 25064 511 1 8 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.214 -0.245 25064 512 1 8 . 1 1 54 54 GLU HA H 54 4.362 4.362 4.308 0.054 25064 513 1 8 . 1 1 55 55 LEU HA H 55 4.682 4.682 4.606 0.076 25064 514 1 8 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.642 -0.225 25064 515 1 8 . 1 1 58 58 ASP HA H 58 4.686 4.686 4.659 0.027 25064 516 1 8 . 1 1 59 59 LEU HA H 59 4.501 4.501 4.702 -0.201 25064 517 1 8 . 1 1 60 60 PRO HA H 60 4.412 4.412 4.462 -0.050 25064 518 1 8 . 1 1 62 62 ARG HA H 62 4.059 4.059 3.975 0.084 25064 519 1 8 . 1 1 63 63 GLN HA H 63 4.023 4.023 4.033 -0.010 25064 520 1 8 . 1 1 64 64 LEU HA H 64 3.862 3.862 4.121 -0.259 25064 521 1 8 . 1 1 64 64 LEU H H 64 7.215 7.215 7.390 -0.175 25064 522 1 8 . 1 1 65 65 PHE HA H 65 4.368 4.368 4.302 0.066 25064 523 1 8 . 1 1 66 66 SER HA H 66 4.372 4.372 4.517 -0.145 25064 524 1 8 . 1 1 68 68 PRO HA H 68 5.007 5.007 4.790 0.217 25064 525 1 8 . 1 1 69 69 THR HA H 69 5.524 5.524 5.727 -0.203 25064 526 1 8 . 1 1 70 70 PRO HA H 70 3.814 3.814 4.154 -0.340 25064 527 1 8 . 1 1 71 71 ALA HA H 71 4.129 4.129 4.067 0.062 25064 528 1 8 . 1 1 73 73 VAL HA H 73 3.567 3.567 3.759 -0.192 25064 529 1 8 . 1 1 74 74 ALA HA H 74 3.777 3.777 4.004 -0.227 25064 530 1 8 . 1 1 75 75 ARG HA H 75 4.047 4.047 4.040 0.007 25064 531 1 8 . 1 1 77 77 LEU HA H 77 3.980 3.980 4.561 -0.581 25064 532 1 8 . 1 1 78 78 ALA HA H 78 4.169 4.169 4.024 0.145 25064 533 1 8 . 1 1 83 83 SER HA H 83 4.319 4.319 4.379 -0.060 25064 534 1 8 . 1 1 84 84 TRP HA H 84 4.678 4.678 4.516 0.162 25064 535 1 8 . 1 1 87 87 PRO HA H 87 4.329 4.329 4.588 -0.259 25064 536 1 8 . 1 1 89 89 PHE HA H 89 4.716 4.716 4.671 0.045 25064 537 1 9 . 1 1 4 4 ALA HA H 4 4.260 4.260 4.364 -0.104 25064 538 1 9 . 1 1 6 6 ALA HA H 6 4.574 4.574 4.470 0.104 25064 539 1 9 . 1 1 7 7 PRO HA H 7 4.332 4.332 4.407 -0.075 25064 540 1 9 . 1 1 8 8 GLU HA H 8 4.364 4.364 4.292 0.072 25064 541 1 9 . 1 1 9 9 SER HA H 9 4.518 4.518 4.647 -0.129 25064 542 1 9 . 1 1 10 10 ALA HA H 10 4.109 4.109 4.049 0.060 25064 543 1 9 . 1 1 11 11 THR HA H 11 3.817 3.817 3.929 -0.112 25064 544 1 9 . 1 1 12 12 GLU HA H 12 3.558 3.558 3.977 -0.419 25064 545 1 9 . 1 1 13 13 LYS HA H 13 3.886 3.886 4.027 -0.141 25064 546 1 9 . 1 1 14 14 VAL HA H 14 3.778 3.778 3.714 0.064 25064 547 1 9 . 1 1 15 15 LEU HA H 15 3.971 3.971 3.986 -0.015 25064 548 1 9 . 1 1 17 17 ALA HA H 17 4.204 4.204 4.059 0.145 25064 549 1 9 . 1 1 18 18 LEU HA H 18 4.174 4.174 3.989 0.185 25064 550 1 9 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.186 -0.210 25064 551 1 9 . 1 1 20 20 ALA HA H 20 3.878 3.878 3.995 -0.117 25064 552 1 9 . 1 1 21 21 GLU HA H 21 3.984 3.984 4.100 -0.116 25064 553 1 9 . 1 1 22 22 ILE HA H 22 3.902 3.902 4.078 -0.176 25064 554 1 9 . 1 1 23 23 LEU HA H 23 4.129 4.129 4.131 -0.002 25064 555 1 9 . 1 1 25 25 VAL HA H 25 4.598 4.598 4.457 0.141 25064 556 1 9 . 1 1 26 26 GLU HA H 26 4.016 4.016 4.170 -0.154 25064 557 1 9 . 1 1 27 27 ARG HA H 27 4.471 4.471 4.525 -0.054 25064 558 1 9 . 1 1 28 28 VAL HA H 28 4.090 4.090 4.425 -0.335 25064 559 1 9 . 1 1 30 30 VAL HA H 30 3.570 3.570 3.994 -0.424 25064 560 1 9 . 1 1 31 31 ASP HA H 31 5.046 5.046 4.804 0.242 25064 561 1 9 . 1 1 32 32 ASP HA H 32 4.615 4.615 4.662 -0.047 25064 562 1 9 . 1 1 33 33 ALA HA H 33 4.101 4.101 4.597 -0.496 25064 563 1 9 . 1 1 34 34 PHE HA H 34 3.973 3.973 4.016 -0.043 25064 564 1 9 . 1 1 35 35 HIS HA H 35 4.297 4.297 4.630 -0.333 25064 565 1 9 . 1 1 36 36 ASP HA H 36 4.515 4.515 4.548 -0.033 25064 566 1 9 . 1 1 37 37 LEU HA H 37 4.353 4.353 4.263 0.090 25064 567 1 9 . 1 1 37 37 LEU H H 37 7.119 7.119 7.683 -0.564 25064 568 1 9 . 1 1 42 42 ALA HA H 42 4.210 4.210 4.245 -0.035 25064 569 1 9 . 1 1 43 43 LEU HA H 43 4.139 4.139 4.138 0.001 25064 570 1 9 . 1 1 44 44 ALA HA H 44 3.604 3.604 3.772 -0.168 25064 571 1 9 . 1 1 45 45 MET HA H 45 4.171 4.171 3.946 0.225 25064 572 1 9 . 1 1 46 46 ARG HA H 46 4.177 4.177 4.125 0.052 25064 573 1 9 . 1 1 47 47 LEU HA H 47 3.886 3.886 4.079 -0.193 25064 574 1 9 . 1 1 48 48 ILE HA H 48 3.557 3.557 3.442 0.115 25064 575 1 9 . 1 1 49 49 ALA HA H 49 4.202 4.202 3.944 0.258 25064 576 1 9 . 1 1 51 51 ILE HA H 51 3.373 3.373 3.687 -0.314 25064 577 1 9 . 1 1 52 52 ARG HA H 52 4.070 4.070 4.231 -0.161 25064 578 1 9 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.178 -0.209 25064 579 1 9 . 1 1 54 54 GLU HA H 54 4.362 4.362 4.318 0.044 25064 580 1 9 . 1 1 55 55 LEU HA H 55 4.682 4.682 4.529 0.153 25064 581 1 9 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.513 -0.096 25064 582 1 9 . 1 1 58 58 ASP HA H 58 4.686 4.686 4.624 0.062 25064 583 1 9 . 1 1 59 59 LEU HA H 59 4.501 4.501 4.461 0.040 25064 584 1 9 . 1 1 60 60 PRO HA H 60 4.412 4.412 4.412 0.000 25064 585 1 9 . 1 1 62 62 ARG HA H 62 4.059 4.059 3.915 0.144 25064 586 1 9 . 1 1 63 63 GLN HA H 63 4.023 4.023 4.141 -0.118 25064 587 1 9 . 1 1 64 64 LEU HA H 64 3.862 3.862 3.947 -0.085 25064 588 1 9 . 1 1 64 64 LEU H H 64 7.215 7.215 7.443 -0.228 25064 589 1 9 . 1 1 65 65 PHE HA H 65 4.368 4.368 4.352 0.016 25064 590 1 9 . 1 1 66 66 SER HA H 66 4.372 4.372 4.480 -0.108 25064 591 1 9 . 1 1 68 68 PRO HA H 68 5.007 5.007 5.006 0.001 25064 592 1 9 . 1 1 69 69 THR HA H 69 5.524 5.524 5.499 0.025 25064 593 1 9 . 1 1 70 70 PRO HA H 70 3.814 3.814 4.025 -0.211 25064 594 1 9 . 1 1 71 71 ALA HA H 71 4.129 4.129 4.164 -0.035 25064 595 1 9 . 1 1 73 73 VAL HA H 73 3.567 3.567 3.557 0.010 25064 596 1 9 . 1 1 74 74 ALA HA H 74 3.777 3.777 3.990 -0.213 25064 597 1 9 . 1 1 75 75 ARG HA H 75 4.047 4.047 4.130 -0.083 25064 598 1 9 . 1 1 77 77 LEU HA H 77 3.980 3.980 4.242 -0.262 25064 599 1 9 . 1 1 78 78 ALA HA H 78 4.169 4.169 4.077 0.092 25064 600 1 9 . 1 1 83 83 SER HA H 83 4.319 4.319 4.430 -0.111 25064 601 1 9 . 1 1 84 84 TRP HA H 84 4.678 4.678 4.291 0.387 25064 602 1 9 . 1 1 87 87 PRO HA H 87 4.329 4.329 4.297 0.032 25064 603 1 9 . 1 1 89 89 PHE HA H 89 4.716 4.716 4.744 -0.028 25064 604 1 10 . 1 1 4 4 ALA HA H 4 4.260 4.260 4.378 -0.118 25064 605 1 10 . 1 1 6 6 ALA HA H 6 4.574 4.574 4.605 -0.031 25064 606 1 10 . 1 1 7 7 PRO HA H 7 4.332 4.332 4.478 -0.146 25064 607 1 10 . 1 1 8 8 GLU HA H 8 4.364 4.364 4.274 0.090 25064 608 1 10 . 1 1 9 9 SER HA H 9 4.518 4.518 4.578 -0.060 25064 609 1 10 . 1 1 10 10 ALA HA H 10 4.109 4.109 4.137 -0.028 25064 610 1 10 . 1 1 11 11 THR HA H 11 3.817 3.817 3.903 -0.086 25064 611 1 10 . 1 1 12 12 GLU HA H 12 3.558 3.558 3.980 -0.422 25064 612 1 10 . 1 1 13 13 LYS HA H 13 3.886 3.886 4.054 -0.168 25064 613 1 10 . 1 1 14 14 VAL HA H 14 3.778 3.778 3.640 0.138 25064 614 1 10 . 1 1 15 15 LEU HA H 15 3.971 3.971 4.001 -0.030 25064 615 1 10 . 1 1 17 17 ALA HA H 17 4.204 4.204 4.161 0.043 25064 616 1 10 . 1 1 18 18 LEU HA H 18 4.174 4.174 3.976 0.198 25064 617 1 10 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.196 -0.220 25064 618 1 10 . 1 1 20 20 ALA HA H 20 3.878 3.878 3.965 -0.087 25064 619 1 10 . 1 1 21 21 GLU HA H 21 3.984 3.984 4.044 -0.060 25064 620 1 10 . 1 1 22 22 ILE HA H 22 3.902 3.902 3.940 -0.038 25064 621 1 10 . 1 1 23 23 LEU HA H 23 4.129 4.129 4.105 0.024 25064 622 1 10 . 1 1 25 25 VAL HA H 25 4.598 4.598 4.405 0.193 25064 623 1 10 . 1 1 26 26 GLU HA H 26 4.016 4.016 4.184 -0.168 25064 624 1 10 . 1 1 27 27 ARG HA H 27 4.471 4.471 4.468 0.003 25064 625 1 10 . 1 1 28 28 VAL HA H 28 4.090 4.090 4.267 -0.177 25064 626 1 10 . 1 1 30 30 VAL HA H 30 3.570 3.570 4.005 -0.435 25064 627 1 10 . 1 1 31 31 ASP HA H 31 5.046 5.046 4.812 0.234 25064 628 1 10 . 1 1 32 32 ASP HA H 32 4.615 4.615 4.633 -0.018 25064 629 1 10 . 1 1 33 33 ALA HA H 33 4.101 4.101 4.641 -0.540 25064 630 1 10 . 1 1 34 34 PHE HA H 34 3.973 3.973 4.055 -0.082 25064 631 1 10 . 1 1 35 35 HIS HA H 35 4.297 4.297 4.759 -0.462 25064 632 1 10 . 1 1 36 36 ASP HA H 36 4.515 4.515 4.562 -0.047 25064 633 1 10 . 1 1 37 37 LEU HA H 37 4.353 4.353 4.254 0.099 25064 634 1 10 . 1 1 37 37 LEU H H 37 7.119 7.119 7.814 -0.695 25064 635 1 10 . 1 1 42 42 ALA HA H 42 4.210 4.210 4.323 -0.113 25064 636 1 10 . 1 1 43 43 LEU HA H 43 4.139 4.139 4.232 -0.093 25064 637 1 10 . 1 1 44 44 ALA HA H 44 3.604 3.604 3.697 -0.093 25064 638 1 10 . 1 1 45 45 MET HA H 45 4.171 4.171 4.118 0.053 25064 639 1 10 . 1 1 46 46 ARG HA H 46 4.177 4.177 4.199 -0.022 25064 640 1 10 . 1 1 47 47 LEU HA H 47 3.886 3.886 4.196 -0.310 25064 641 1 10 . 1 1 48 48 ILE HA H 48 3.557 3.557 3.472 0.085 25064 642 1 10 . 1 1 49 49 ALA HA H 49 4.202 4.202 3.994 0.208 25064 643 1 10 . 1 1 51 51 ILE HA H 51 3.373 3.373 3.689 -0.316 25064 644 1 10 . 1 1 52 52 ARG HA H 52 4.070 4.070 4.296 -0.226 25064 645 1 10 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.175 -0.206 25064 646 1 10 . 1 1 54 54 GLU HA H 54 4.362 4.362 4.308 0.054 25064 647 1 10 . 1 1 55 55 LEU HA H 55 4.682 4.682 4.560 0.122 25064 648 1 10 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.487 -0.070 25064 649 1 10 . 1 1 58 58 ASP HA H 58 4.686 4.686 4.575 0.111 25064 650 1 10 . 1 1 59 59 LEU HA H 59 4.501 4.501 4.488 0.013 25064 651 1 10 . 1 1 60 60 PRO HA H 60 4.412 4.412 4.417 -0.005 25064 652 1 10 . 1 1 62 62 ARG HA H 62 4.059 4.059 3.932 0.127 25064 653 1 10 . 1 1 63 63 GLN HA H 63 4.023 4.023 4.114 -0.091 25064 654 1 10 . 1 1 64 64 LEU HA H 64 3.862 3.862 4.068 -0.206 25064 655 1 10 . 1 1 64 64 LEU H H 64 7.215 7.215 7.362 -0.147 25064 656 1 10 . 1 1 65 65 PHE HA H 65 4.368 4.368 4.374 -0.006 25064 657 1 10 . 1 1 66 66 SER HA H 66 4.372 4.372 4.420 -0.048 25064 658 1 10 . 1 1 68 68 PRO HA H 68 5.007 5.007 4.998 0.009 25064 659 1 10 . 1 1 69 69 THR HA H 69 5.524 5.524 5.445 0.079 25064 660 1 10 . 1 1 70 70 PRO HA H 70 3.814 3.814 3.929 -0.115 25064 661 1 10 . 1 1 71 71 ALA HA H 71 4.129 4.129 4.134 -0.005 25064 662 1 10 . 1 1 73 73 VAL HA H 73 3.567 3.567 3.632 -0.065 25064 663 1 10 . 1 1 74 74 ALA HA H 74 3.777 3.777 3.895 -0.118 25064 664 1 10 . 1 1 75 75 ARG HA H 75 4.047 4.047 4.050 -0.003 25064 665 1 10 . 1 1 77 77 LEU HA H 77 3.980 3.980 4.584 -0.604 25064 666 1 10 . 1 1 78 78 ALA HA H 78 4.169 4.169 3.993 0.176 25064 667 1 10 . 1 1 83 83 SER HA H 83 4.319 4.319 4.335 -0.016 25064 668 1 10 . 1 1 84 84 TRP HA H 84 4.678 4.678 4.297 0.381 25064 669 1 10 . 1 1 87 87 PRO HA H 87 4.329 4.329 4.489 -0.160 25064 670 1 10 . 1 1 89 89 PHE HA H 89 4.716 4.716 5.271 -0.555 25064 671 1 11 . 1 1 4 4 ALA HA H 4 4.260 4.260 4.370 -0.110 25064 672 1 11 . 1 1 6 6 ALA HA H 6 4.574 4.574 4.506 0.068 25064 673 1 11 . 1 1 7 7 PRO HA H 7 4.332 4.332 4.573 -0.241 25064 674 1 11 . 1 1 8 8 GLU HA H 8 4.364 4.364 4.358 0.006 25064 675 1 11 . 1 1 9 9 SER HA H 9 4.518 4.518 4.731 -0.213 25064 676 1 11 . 1 1 10 10 ALA HA H 10 4.109 4.109 4.266 -0.157 25064 677 1 11 . 1 1 11 11 THR HA H 11 3.817 3.817 3.912 -0.095 25064 678 1 11 . 1 1 12 12 GLU HA H 12 3.558 3.558 4.019 -0.461 25064 679 1 11 . 1 1 13 13 LYS HA H 13 3.886 3.886 4.078 -0.192 25064 680 1 11 . 1 1 14 14 VAL HA H 14 3.778 3.778 3.754 0.024 25064 681 1 11 . 1 1 15 15 LEU HA H 15 3.971 3.971 4.006 -0.035 25064 682 1 11 . 1 1 17 17 ALA HA H 17 4.204 4.204 4.135 0.069 25064 683 1 11 . 1 1 18 18 LEU HA H 18 4.174 4.174 4.087 0.087 25064 684 1 11 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.243 -0.267 25064 685 1 11 . 1 1 20 20 ALA HA H 20 3.878 3.878 4.022 -0.144 25064 686 1 11 . 1 1 21 21 GLU HA H 21 3.984 3.984 4.097 -0.113 25064 687 1 11 . 1 1 22 22 ILE HA H 22 3.902 3.902 3.985 -0.083 25064 688 1 11 . 1 1 23 23 LEU HA H 23 4.129 4.129 4.076 0.053 25064 689 1 11 . 1 1 25 25 VAL HA H 25 4.598 4.598 4.561 0.037 25064 690 1 11 . 1 1 26 26 GLU HA H 26 4.016 4.016 4.210 -0.194 25064 691 1 11 . 1 1 27 27 ARG HA H 27 4.471 4.471 4.647 -0.176 25064 692 1 11 . 1 1 28 28 VAL HA H 28 4.090 4.090 4.571 -0.481 25064 693 1 11 . 1 1 30 30 VAL HA H 30 3.570 3.570 4.024 -0.454 25064 694 1 11 . 1 1 31 31 ASP HA H 31 5.046 5.046 4.692 0.354 25064 695 1 11 . 1 1 32 32 ASP HA H 32 4.615 4.615 4.606 0.009 25064 696 1 11 . 1 1 33 33 ALA HA H 33 4.101 4.101 4.576 -0.475 25064 697 1 11 . 1 1 34 34 PHE HA H 34 3.973 3.973 3.952 0.021 25064 698 1 11 . 1 1 35 35 HIS HA H 35 4.297 4.297 4.609 -0.312 25064 699 1 11 . 1 1 36 36 ASP HA H 36 4.515 4.515 4.622 -0.107 25064 700 1 11 . 1 1 37 37 LEU HA H 37 4.353 4.353 4.492 -0.139 25064 701 1 11 . 1 1 37 37 LEU H H 37 7.119 7.119 7.415 -0.296 25064 702 1 11 . 1 1 42 42 ALA HA H 42 4.210 4.210 4.246 -0.036 25064 703 1 11 . 1 1 43 43 LEU HA H 43 4.139 4.139 4.061 0.078 25064 704 1 11 . 1 1 44 44 ALA HA H 44 3.604 3.604 3.743 -0.139 25064 705 1 11 . 1 1 45 45 MET HA H 45 4.171 4.171 4.103 0.068 25064 706 1 11 . 1 1 46 46 ARG HA H 46 4.177 4.177 4.078 0.099 25064 707 1 11 . 1 1 47 47 LEU HA H 47 3.886 3.886 4.102 -0.216 25064 708 1 11 . 1 1 48 48 ILE HA H 48 3.557 3.557 3.465 0.092 25064 709 1 11 . 1 1 49 49 ALA HA H 49 4.202 4.202 3.979 0.223 25064 710 1 11 . 1 1 51 51 ILE HA H 51 3.373 3.373 3.601 -0.228 25064 711 1 11 . 1 1 52 52 ARG HA H 52 4.070 4.070 4.227 -0.157 25064 712 1 11 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.116 -0.147 25064 713 1 11 . 1 1 54 54 GLU HA H 54 4.362 4.362 4.270 0.092 25064 714 1 11 . 1 1 55 55 LEU HA H 55 4.682 4.682 4.500 0.182 25064 715 1 11 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.340 0.077 25064 716 1 11 . 1 1 58 58 ASP HA H 58 4.686 4.686 4.593 0.093 25064 717 1 11 . 1 1 59 59 LEU HA H 59 4.501 4.501 4.545 -0.044 25064 718 1 11 . 1 1 60 60 PRO HA H 60 4.412 4.412 4.465 -0.053 25064 719 1 11 . 1 1 62 62 ARG HA H 62 4.059 4.059 3.942 0.117 25064 720 1 11 . 1 1 63 63 GLN HA H 63 4.023 4.023 4.115 -0.092 25064 721 1 11 . 1 1 64 64 LEU HA H 64 3.862 3.862 4.000 -0.138 25064 722 1 11 . 1 1 64 64 LEU H H 64 7.215 7.215 7.229 -0.014 25064 723 1 11 . 1 1 65 65 PHE HA H 65 4.368 4.368 4.303 0.065 25064 724 1 11 . 1 1 66 66 SER HA H 66 4.372 4.372 4.434 -0.062 25064 725 1 11 . 1 1 68 68 PRO HA H 68 5.007 5.007 4.970 0.037 25064 726 1 11 . 1 1 69 69 THR HA H 69 5.524 5.524 5.586 -0.062 25064 727 1 11 . 1 1 70 70 PRO HA H 70 3.814 3.814 3.966 -0.152 25064 728 1 11 . 1 1 71 71 ALA HA H 71 4.129 4.129 4.228 -0.099 25064 729 1 11 . 1 1 73 73 VAL HA H 73 3.567 3.567 3.606 -0.039 25064 730 1 11 . 1 1 74 74 ALA HA H 74 3.777 3.777 3.894 -0.117 25064 731 1 11 . 1 1 75 75 ARG HA H 75 4.047 4.047 4.075 -0.028 25064 732 1 11 . 1 1 77 77 LEU HA H 77 3.980 3.980 4.503 -0.523 25064 733 1 11 . 1 1 78 78 ALA HA H 78 4.169 4.169 4.102 0.067 25064 734 1 11 . 1 1 83 83 SER HA H 83 4.319 4.319 4.411 -0.092 25064 735 1 11 . 1 1 84 84 TRP HA H 84 4.678 4.678 4.571 0.107 25064 736 1 11 . 1 1 87 87 PRO HA H 87 4.329 4.329 4.436 -0.107 25064 737 1 11 . 1 1 89 89 PHE HA H 89 4.716 4.716 4.837 -0.121 25064 738 1 12 . 1 1 4 4 ALA HA H 4 4.260 4.260 4.293 -0.033 25064 739 1 12 . 1 1 6 6 ALA HA H 6 4.574 4.574 4.494 0.080 25064 740 1 12 . 1 1 7 7 PRO HA H 7 4.332 4.332 4.461 -0.129 25064 741 1 12 . 1 1 8 8 GLU HA H 8 4.364 4.364 4.435 -0.071 25064 742 1 12 . 1 1 9 9 SER HA H 9 4.518 4.518 4.469 0.049 25064 743 1 12 . 1 1 10 10 ALA HA H 10 4.109 4.109 4.158 -0.049 25064 744 1 12 . 1 1 11 11 THR HA H 11 3.817 3.817 4.094 -0.277 25064 745 1 12 . 1 1 12 12 GLU HA H 12 3.558 3.558 3.980 -0.422 25064 746 1 12 . 1 1 13 13 LYS HA H 13 3.886 3.886 4.079 -0.193 25064 747 1 12 . 1 1 14 14 VAL HA H 14 3.778 3.778 3.777 0.001 25064 748 1 12 . 1 1 15 15 LEU HA H 15 3.971 3.971 4.037 -0.066 25064 749 1 12 . 1 1 17 17 ALA HA H 17 4.204 4.204 4.065 0.139 25064 750 1 12 . 1 1 18 18 LEU HA H 18 4.174 4.174 4.069 0.105 25064 751 1 12 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.214 -0.238 25064 752 1 12 . 1 1 20 20 ALA HA H 20 3.878 3.878 3.956 -0.078 25064 753 1 12 . 1 1 21 21 GLU HA H 21 3.984 3.984 4.116 -0.132 25064 754 1 12 . 1 1 22 22 ILE HA H 22 3.902 3.902 3.923 -0.021 25064 755 1 12 . 1 1 23 23 LEU HA H 23 4.129 4.129 4.061 0.068 25064 756 1 12 . 1 1 25 25 VAL HA H 25 4.598 4.598 4.489 0.109 25064 757 1 12 . 1 1 26 26 GLU HA H 26 4.016 4.016 4.154 -0.138 25064 758 1 12 . 1 1 27 27 ARG HA H 27 4.471 4.471 4.489 -0.018 25064 759 1 12 . 1 1 28 28 VAL HA H 28 4.090 4.090 4.566 -0.476 25064 760 1 12 . 1 1 30 30 VAL HA H 30 3.570 3.570 3.933 -0.363 25064 761 1 12 . 1 1 31 31 ASP HA H 31 5.046 5.046 4.543 0.503 25064 762 1 12 . 1 1 32 32 ASP HA H 32 4.615 4.615 4.678 -0.063 25064 763 1 12 . 1 1 33 33 ALA HA H 33 4.101 4.101 4.491 -0.390 25064 764 1 12 . 1 1 34 34 PHE HA H 34 3.973 3.973 4.005 -0.032 25064 765 1 12 . 1 1 35 35 HIS HA H 35 4.297 4.297 4.749 -0.452 25064 766 1 12 . 1 1 36 36 ASP HA H 36 4.515 4.515 4.565 -0.050 25064 767 1 12 . 1 1 37 37 LEU HA H 37 4.353 4.353 4.332 0.021 25064 768 1 12 . 1 1 37 37 LEU H H 37 7.119 7.119 7.392 -0.273 25064 769 1 12 . 1 1 42 42 ALA HA H 42 4.210 4.210 4.232 -0.022 25064 770 1 12 . 1 1 43 43 LEU HA H 43 4.139 4.139 4.205 -0.066 25064 771 1 12 . 1 1 44 44 ALA HA H 44 3.604 3.604 3.526 0.078 25064 772 1 12 . 1 1 45 45 MET HA H 45 4.171 4.171 3.948 0.223 25064 773 1 12 . 1 1 46 46 ARG HA H 46 4.177 4.177 4.061 0.116 25064 774 1 12 . 1 1 47 47 LEU HA H 47 3.886 3.886 4.086 -0.200 25064 775 1 12 . 1 1 48 48 ILE HA H 48 3.557 3.557 3.455 0.102 25064 776 1 12 . 1 1 49 49 ALA HA H 49 4.202 4.202 3.953 0.249 25064 777 1 12 . 1 1 51 51 ILE HA H 51 3.373 3.373 3.720 -0.347 25064 778 1 12 . 1 1 52 52 ARG HA H 52 4.070 4.070 4.290 -0.220 25064 779 1 12 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.216 -0.247 25064 780 1 12 . 1 1 54 54 GLU HA H 54 4.362 4.362 4.294 0.068 25064 781 1 12 . 1 1 55 55 LEU HA H 55 4.682 4.682 4.573 0.109 25064 782 1 12 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.413 0.004 25064 783 1 12 . 1 1 58 58 ASP HA H 58 4.686 4.686 4.531 0.155 25064 784 1 12 . 1 1 59 59 LEU HA H 59 4.501 4.501 4.447 0.054 25064 785 1 12 . 1 1 60 60 PRO HA H 60 4.412 4.412 4.492 -0.080 25064 786 1 12 . 1 1 62 62 ARG HA H 62 4.059 4.059 4.055 0.004 25064 787 1 12 . 1 1 63 63 GLN HA H 63 4.023 4.023 4.058 -0.035 25064 788 1 12 . 1 1 64 64 LEU HA H 64 3.862 3.862 4.044 -0.182 25064 789 1 12 . 1 1 64 64 LEU H H 64 7.215 7.215 7.352 -0.137 25064 790 1 12 . 1 1 65 65 PHE HA H 65 4.368 4.368 4.372 -0.004 25064 791 1 12 . 1 1 66 66 SER HA H 66 4.372 4.372 4.433 -0.061 25064 792 1 12 . 1 1 68 68 PRO HA H 68 5.007 5.007 4.929 0.078 25064 793 1 12 . 1 1 69 69 THR HA H 69 5.524 5.524 5.482 0.042 25064 794 1 12 . 1 1 70 70 PRO HA H 70 3.814 3.814 4.064 -0.250 25064 795 1 12 . 1 1 71 71 ALA HA H 71 4.129 4.129 4.205 -0.076 25064 796 1 12 . 1 1 73 73 VAL HA H 73 3.567 3.567 3.740 -0.173 25064 797 1 12 . 1 1 74 74 ALA HA H 74 3.777 3.777 4.033 -0.256 25064 798 1 12 . 1 1 75 75 ARG HA H 75 4.047 4.047 4.040 0.007 25064 799 1 12 . 1 1 77 77 LEU HA H 77 3.980 3.980 4.301 -0.321 25064 800 1 12 . 1 1 78 78 ALA HA H 78 4.169 4.169 4.069 0.100 25064 801 1 12 . 1 1 83 83 SER HA H 83 4.319 4.319 4.346 -0.027 25064 802 1 12 . 1 1 84 84 TRP HA H 84 4.678 4.678 4.503 0.175 25064 803 1 12 . 1 1 87 87 PRO HA H 87 4.329 4.329 4.319 0.010 25064 804 1 12 . 1 1 89 89 PHE HA H 89 4.716 4.716 4.489 0.227 25064 805 1 13 . 1 1 4 4 ALA HA H 4 4.260 4.260 4.282 -0.022 25064 806 1 13 . 1 1 6 6 ALA HA H 6 4.574 4.574 4.578 -0.004 25064 807 1 13 . 1 1 7 7 PRO HA H 7 4.332 4.332 4.485 -0.153 25064 808 1 13 . 1 1 8 8 GLU HA H 8 4.364 4.364 4.377 -0.013 25064 809 1 13 . 1 1 9 9 SER HA H 9 4.518 4.518 4.572 -0.054 25064 810 1 13 . 1 1 10 10 ALA HA H 10 4.109 4.109 4.106 0.003 25064 811 1 13 . 1 1 11 11 THR HA H 11 3.817 3.817 4.029 -0.212 25064 812 1 13 . 1 1 12 12 GLU HA H 12 3.558 3.558 3.979 -0.421 25064 813 1 13 . 1 1 13 13 LYS HA H 13 3.886 3.886 4.086 -0.200 25064 814 1 13 . 1 1 14 14 VAL HA H 14 3.778 3.778 3.777 0.001 25064 815 1 13 . 1 1 15 15 LEU HA H 15 3.971 3.971 3.983 -0.012 25064 816 1 13 . 1 1 17 17 ALA HA H 17 4.204 4.204 4.042 0.162 25064 817 1 13 . 1 1 18 18 LEU HA H 18 4.174 4.174 3.982 0.192 25064 818 1 13 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.210 -0.234 25064 819 1 13 . 1 1 20 20 ALA HA H 20 3.878 3.878 4.034 -0.156 25064 820 1 13 . 1 1 21 21 GLU HA H 21 3.984 3.984 4.144 -0.160 25064 821 1 13 . 1 1 22 22 ILE HA H 22 3.902 3.902 4.112 -0.210 25064 822 1 13 . 1 1 23 23 LEU HA H 23 4.129 4.129 4.171 -0.042 25064 823 1 13 . 1 1 25 25 VAL HA H 25 4.598 4.598 4.553 0.046 25064 824 1 13 . 1 1 26 26 GLU HA H 26 4.016 4.016 4.237 -0.221 25064 825 1 13 . 1 1 27 27 ARG HA H 27 4.471 4.471 4.515 -0.044 25064 826 1 13 . 1 1 28 28 VAL HA H 28 4.090 4.090 4.601 -0.511 25064 827 1 13 . 1 1 30 30 VAL HA H 30 3.570 3.570 3.761 -0.191 25064 828 1 13 . 1 1 31 31 ASP HA H 31 5.046 5.046 4.665 0.381 25064 829 1 13 . 1 1 32 32 ASP HA H 32 4.615 4.615 4.680 -0.065 25064 830 1 13 . 1 1 33 33 ALA HA H 33 4.101 4.101 4.222 -0.121 25064 831 1 13 . 1 1 34 34 PHE HA H 34 3.973 3.973 4.074 -0.101 25064 832 1 13 . 1 1 35 35 HIS HA H 35 4.297 4.297 4.473 -0.176 25064 833 1 13 . 1 1 36 36 ASP HA H 36 4.515 4.515 4.542 -0.027 25064 834 1 13 . 1 1 37 37 LEU HA H 37 4.353 4.353 4.340 0.013 25064 835 1 13 . 1 1 37 37 LEU H H 37 7.119 7.119 7.422 -0.303 25064 836 1 13 . 1 1 42 42 ALA HA H 42 4.210 4.210 4.247 -0.037 25064 837 1 13 . 1 1 43 43 LEU HA H 43 4.139 4.139 4.026 0.113 25064 838 1 13 . 1 1 44 44 ALA HA H 44 3.604 3.604 3.761 -0.157 25064 839 1 13 . 1 1 45 45 MET HA H 45 4.171 4.171 4.139 0.032 25064 840 1 13 . 1 1 46 46 ARG HA H 46 4.177 4.177 4.149 0.028 25064 841 1 13 . 1 1 47 47 LEU HA H 47 3.886 3.886 4.006 -0.120 25064 842 1 13 . 1 1 48 48 ILE HA H 48 3.557 3.557 3.501 0.056 25064 843 1 13 . 1 1 49 49 ALA HA H 49 4.202 4.202 3.978 0.224 25064 844 1 13 . 1 1 51 51 ILE HA H 51 3.373 3.373 3.658 -0.285 25064 845 1 13 . 1 1 52 52 ARG HA H 52 4.070 4.070 4.310 -0.240 25064 846 1 13 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.198 -0.229 25064 847 1 13 . 1 1 54 54 GLU HA H 54 4.362 4.362 4.301 0.061 25064 848 1 13 . 1 1 55 55 LEU HA H 55 4.682 4.682 4.599 0.083 25064 849 1 13 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.564 -0.147 25064 850 1 13 . 1 1 58 58 ASP HA H 58 4.686 4.686 4.545 0.141 25064 851 1 13 . 1 1 59 59 LEU HA H 59 4.501 4.501 4.504 -0.003 25064 852 1 13 . 1 1 60 60 PRO HA H 60 4.412 4.412 4.483 -0.071 25064 853 1 13 . 1 1 62 62 ARG HA H 62 4.059 4.059 3.966 0.093 25064 854 1 13 . 1 1 63 63 GLN HA H 63 4.023 4.023 4.197 -0.174 25064 855 1 13 . 1 1 64 64 LEU HA H 64 3.862 3.862 4.042 -0.180 25064 856 1 13 . 1 1 64 64 LEU H H 64 7.215 7.215 7.428 -0.213 25064 857 1 13 . 1 1 65 65 PHE HA H 65 4.368 4.368 4.441 -0.073 25064 858 1 13 . 1 1 66 66 SER HA H 66 4.372 4.372 4.481 -0.109 25064 859 1 13 . 1 1 68 68 PRO HA H 68 5.007 5.007 4.745 0.262 25064 860 1 13 . 1 1 69 69 THR HA H 69 5.524 5.524 5.502 0.022 25064 861 1 13 . 1 1 70 70 PRO HA H 70 3.814 3.814 4.084 -0.270 25064 862 1 13 . 1 1 71 71 ALA HA H 71 4.129 4.129 4.131 -0.002 25064 863 1 13 . 1 1 73 73 VAL HA H 73 3.567 3.567 3.777 -0.210 25064 864 1 13 . 1 1 74 74 ALA HA H 74 3.777 3.777 3.995 -0.218 25064 865 1 13 . 1 1 75 75 ARG HA H 75 4.047 4.047 4.104 -0.057 25064 866 1 13 . 1 1 77 77 LEU HA H 77 3.980 3.980 4.233 -0.253 25064 867 1 13 . 1 1 78 78 ALA HA H 78 4.169 4.169 4.158 0.011 25064 868 1 13 . 1 1 83 83 SER HA H 83 4.319 4.319 4.120 0.199 25064 869 1 13 . 1 1 84 84 TRP HA H 84 4.678 4.678 4.817 -0.139 25064 870 1 13 . 1 1 87 87 PRO HA H 87 4.329 4.329 4.476 -0.147 25064 871 1 13 . 1 1 89 89 PHE HA H 89 4.716 4.716 4.917 -0.201 25064 872 1 14 . 1 1 4 4 ALA HA H 4 4.260 4.260 4.279 -0.019 25064 873 1 14 . 1 1 6 6 ALA HA H 6 4.574 4.574 4.476 0.098 25064 874 1 14 . 1 1 7 7 PRO HA H 7 4.332 4.332 4.489 -0.157 25064 875 1 14 . 1 1 8 8 GLU HA H 8 4.364 4.364 4.468 -0.104 25064 876 1 14 . 1 1 9 9 SER HA H 9 4.518 4.518 4.552 -0.034 25064 877 1 14 . 1 1 10 10 ALA HA H 10 4.109 4.109 4.111 -0.002 25064 878 1 14 . 1 1 11 11 THR HA H 11 3.817 3.817 3.984 -0.167 25064 879 1 14 . 1 1 12 12 GLU HA H 12 3.558 3.558 3.955 -0.397 25064 880 1 14 . 1 1 13 13 LYS HA H 13 3.886 3.886 4.122 -0.236 25064 881 1 14 . 1 1 14 14 VAL HA H 14 3.778 3.778 3.808 -0.030 25064 882 1 14 . 1 1 15 15 LEU HA H 15 3.971 3.971 4.001 -0.030 25064 883 1 14 . 1 1 17 17 ALA HA H 17 4.204 4.204 4.042 0.162 25064 884 1 14 . 1 1 18 18 LEU HA H 18 4.174 4.174 3.981 0.193 25064 885 1 14 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.253 -0.277 25064 886 1 14 . 1 1 20 20 ALA HA H 20 3.878 3.878 4.005 -0.127 25064 887 1 14 . 1 1 21 21 GLU HA H 21 3.984 3.984 4.088 -0.104 25064 888 1 14 . 1 1 22 22 ILE HA H 22 3.902 3.902 4.101 -0.199 25064 889 1 14 . 1 1 23 23 LEU HA H 23 4.129 4.129 4.197 -0.068 25064 890 1 14 . 1 1 25 25 VAL HA H 25 4.598 4.598 4.419 0.179 25064 891 1 14 . 1 1 26 26 GLU HA H 26 4.016 4.016 4.211 -0.195 25064 892 1 14 . 1 1 27 27 ARG HA H 27 4.471 4.471 4.511 -0.040 25064 893 1 14 . 1 1 28 28 VAL HA H 28 4.090 4.090 4.304 -0.214 25064 894 1 14 . 1 1 30 30 VAL HA H 30 3.570 3.570 3.931 -0.361 25064 895 1 14 . 1 1 31 31 ASP HA H 31 5.046 5.046 4.824 0.222 25064 896 1 14 . 1 1 32 32 ASP HA H 32 4.615 4.615 4.668 -0.053 25064 897 1 14 . 1 1 33 33 ALA HA H 33 4.101 4.101 4.511 -0.410 25064 898 1 14 . 1 1 34 34 PHE HA H 34 3.973 3.973 3.963 0.010 25064 899 1 14 . 1 1 35 35 HIS HA H 35 4.297 4.297 4.547 -0.250 25064 900 1 14 . 1 1 36 36 ASP HA H 36 4.515 4.515 4.679 -0.164 25064 901 1 14 . 1 1 37 37 LEU HA H 37 4.353 4.353 4.452 -0.099 25064 902 1 14 . 1 1 37 37 LEU H H 37 7.119 7.119 7.500 -0.381 25064 903 1 14 . 1 1 42 42 ALA HA H 42 4.210 4.210 4.190 0.020 25064 904 1 14 . 1 1 43 43 LEU HA H 43 4.139 4.139 4.204 -0.065 25064 905 1 14 . 1 1 44 44 ALA HA H 44 3.604 3.604 3.752 -0.148 25064 906 1 14 . 1 1 45 45 MET HA H 45 4.171 4.171 4.056 0.115 25064 907 1 14 . 1 1 46 46 ARG HA H 46 4.177 4.177 4.090 0.087 25064 908 1 14 . 1 1 47 47 LEU HA H 47 3.886 3.886 4.090 -0.204 25064 909 1 14 . 1 1 48 48 ILE HA H 48 3.557 3.557 3.480 0.077 25064 910 1 14 . 1 1 49 49 ALA HA H 49 4.202 4.202 4.007 0.195 25064 911 1 14 . 1 1 51 51 ILE HA H 51 3.373 3.373 3.763 -0.390 25064 912 1 14 . 1 1 52 52 ARG HA H 52 4.070 4.070 4.278 -0.208 25064 913 1 14 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.134 -0.165 25064 914 1 14 . 1 1 54 54 GLU HA H 54 4.362 4.362 4.283 0.079 25064 915 1 14 . 1 1 55 55 LEU HA H 55 4.682 4.682 4.573 0.109 25064 916 1 14 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.578 -0.161 25064 917 1 14 . 1 1 58 58 ASP HA H 58 4.686 4.686 4.589 0.097 25064 918 1 14 . 1 1 59 59 LEU HA H 59 4.501 4.501 4.419 0.082 25064 919 1 14 . 1 1 60 60 PRO HA H 60 4.412 4.412 4.424 -0.012 25064 920 1 14 . 1 1 62 62 ARG HA H 62 4.059 4.059 3.917 0.142 25064 921 1 14 . 1 1 63 63 GLN HA H 63 4.023 4.023 4.172 -0.149 25064 922 1 14 . 1 1 64 64 LEU HA H 64 3.862 3.862 4.069 -0.207 25064 923 1 14 . 1 1 64 64 LEU H H 64 7.215 7.215 7.236 -0.021 25064 924 1 14 . 1 1 65 65 PHE HA H 65 4.368 4.368 4.385 -0.017 25064 925 1 14 . 1 1 66 66 SER HA H 66 4.372 4.372 4.433 -0.061 25064 926 1 14 . 1 1 68 68 PRO HA H 68 5.007 5.007 4.759 0.248 25064 927 1 14 . 1 1 69 69 THR HA H 69 5.524 5.524 5.370 0.154 25064 928 1 14 . 1 1 70 70 PRO HA H 70 3.814 3.814 4.077 -0.263 25064 929 1 14 . 1 1 71 71 ALA HA H 71 4.129 4.129 4.196 -0.067 25064 930 1 14 . 1 1 73 73 VAL HA H 73 3.567 3.567 3.814 -0.247 25064 931 1 14 . 1 1 74 74 ALA HA H 74 3.777 3.777 4.036 -0.259 25064 932 1 14 . 1 1 75 75 ARG HA H 75 4.047 4.047 4.084 -0.037 25064 933 1 14 . 1 1 77 77 LEU HA H 77 3.980 3.980 4.305 -0.325 25064 934 1 14 . 1 1 78 78 ALA HA H 78 4.169 4.169 4.021 0.148 25064 935 1 14 . 1 1 83 83 SER HA H 83 4.319 4.319 4.567 -0.248 25064 936 1 14 . 1 1 84 84 TRP HA H 84 4.678 4.678 4.210 0.468 25064 937 1 14 . 1 1 87 87 PRO HA H 87 4.329 4.329 4.459 -0.130 25064 938 1 14 . 1 1 89 89 PHE HA H 89 4.716 4.716 4.423 0.293 25064 939 1 15 . 1 1 4 4 ALA HA H 4 4.260 4.260 4.415 -0.155 25064 940 1 15 . 1 1 6 6 ALA HA H 6 4.574 4.574 4.406 0.168 25064 941 1 15 . 1 1 7 7 PRO HA H 7 4.332 4.332 4.479 -0.147 25064 942 1 15 . 1 1 8 8 GLU HA H 8 4.364 4.364 4.292 0.072 25064 943 1 15 . 1 1 9 9 SER HA H 9 4.518 4.518 4.531 -0.013 25064 944 1 15 . 1 1 10 10 ALA HA H 10 4.109 4.109 4.049 0.060 25064 945 1 15 . 1 1 11 11 THR HA H 11 3.817 3.817 4.021 -0.204 25064 946 1 15 . 1 1 12 12 GLU HA H 12 3.558 3.558 4.000 -0.442 25064 947 1 15 . 1 1 13 13 LYS HA H 13 3.886 3.886 4.014 -0.128 25064 948 1 15 . 1 1 14 14 VAL HA H 14 3.778 3.778 3.773 0.005 25064 949 1 15 . 1 1 15 15 LEU HA H 15 3.971 3.971 3.960 0.011 25064 950 1 15 . 1 1 17 17 ALA HA H 17 4.204 4.204 4.024 0.180 25064 951 1 15 . 1 1 18 18 LEU HA H 18 4.174 4.174 3.992 0.182 25064 952 1 15 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.255 -0.279 25064 953 1 15 . 1 1 20 20 ALA HA H 20 3.878 3.878 3.962 -0.084 25064 954 1 15 . 1 1 21 21 GLU HA H 21 3.984 3.984 4.113 -0.129 25064 955 1 15 . 1 1 22 22 ILE HA H 22 3.902 3.902 4.061 -0.159 25064 956 1 15 . 1 1 23 23 LEU HA H 23 4.129 4.129 4.128 0.001 25064 957 1 15 . 1 1 25 25 VAL HA H 25 4.598 4.598 4.504 0.094 25064 958 1 15 . 1 1 26 26 GLU HA H 26 4.016 4.016 4.165 -0.149 25064 959 1 15 . 1 1 27 27 ARG HA H 27 4.471 4.471 4.625 -0.154 25064 960 1 15 . 1 1 28 28 VAL HA H 28 4.090 4.090 4.579 -0.489 25064 961 1 15 . 1 1 30 30 VAL HA H 30 3.570 3.570 4.023 -0.453 25064 962 1 15 . 1 1 31 31 ASP HA H 31 5.046 5.046 4.835 0.211 25064 963 1 15 . 1 1 32 32 ASP HA H 32 4.615 4.615 4.630 -0.015 25064 964 1 15 . 1 1 33 33 ALA HA H 33 4.101 4.101 4.473 -0.372 25064 965 1 15 . 1 1 34 34 PHE HA H 34 3.973 3.973 3.882 0.091 25064 966 1 15 . 1 1 35 35 HIS HA H 35 4.297 4.297 4.560 -0.263 25064 967 1 15 . 1 1 36 36 ASP HA H 36 4.515 4.515 4.519 -0.004 25064 968 1 15 . 1 1 37 37 LEU HA H 37 4.353 4.353 4.210 0.143 25064 969 1 15 . 1 1 37 37 LEU H H 37 7.119 7.119 7.462 -0.343 25064 970 1 15 . 1 1 42 42 ALA HA H 42 4.210 4.210 4.261 -0.051 25064 971 1 15 . 1 1 43 43 LEU HA H 43 4.139 4.139 4.203 -0.064 25064 972 1 15 . 1 1 44 44 ALA HA H 44 3.604 3.604 3.948 -0.344 25064 973 1 15 . 1 1 45 45 MET HA H 45 4.171 4.171 3.974 0.197 25064 974 1 15 . 1 1 46 46 ARG HA H 46 4.177 4.177 4.104 0.073 25064 975 1 15 . 1 1 47 47 LEU HA H 47 3.886 3.886 4.114 -0.228 25064 976 1 15 . 1 1 48 48 ILE HA H 48 3.557 3.557 3.465 0.092 25064 977 1 15 . 1 1 49 49 ALA HA H 49 4.202 4.202 4.005 0.198 25064 978 1 15 . 1 1 51 51 ILE HA H 51 3.373 3.373 3.701 -0.328 25064 979 1 15 . 1 1 52 52 ARG HA H 52 4.070 4.070 4.286 -0.216 25064 980 1 15 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.197 -0.228 25064 981 1 15 . 1 1 54 54 GLU HA H 54 4.362 4.362 4.275 0.087 25064 982 1 15 . 1 1 55 55 LEU HA H 55 4.682 4.682 4.574 0.108 25064 983 1 15 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.405 0.012 25064 984 1 15 . 1 1 58 58 ASP HA H 58 4.686 4.686 4.598 0.088 25064 985 1 15 . 1 1 59 59 LEU HA H 59 4.501 4.501 4.408 0.093 25064 986 1 15 . 1 1 60 60 PRO HA H 60 4.412 4.412 4.395 0.017 25064 987 1 15 . 1 1 62 62 ARG HA H 62 4.059 4.059 3.931 0.128 25064 988 1 15 . 1 1 63 63 GLN HA H 63 4.023 4.023 4.058 -0.035 25064 989 1 15 . 1 1 64 64 LEU HA H 64 3.862 3.862 4.038 -0.176 25064 990 1 15 . 1 1 64 64 LEU H H 64 7.215 7.215 7.299 -0.084 25064 991 1 15 . 1 1 65 65 PHE HA H 65 4.368 4.368 4.416 -0.048 25064 992 1 15 . 1 1 66 66 SER HA H 66 4.372 4.372 4.444 -0.072 25064 993 1 15 . 1 1 68 68 PRO HA H 68 5.007 5.007 4.884 0.123 25064 994 1 15 . 1 1 69 69 THR HA H 69 5.524 5.524 5.622 -0.098 25064 995 1 15 . 1 1 70 70 PRO HA H 70 3.814 3.814 4.239 -0.425 25064 996 1 15 . 1 1 71 71 ALA HA H 71 4.129 4.129 4.241 -0.112 25064 997 1 15 . 1 1 73 73 VAL HA H 73 3.567 3.567 3.758 -0.191 25064 998 1 15 . 1 1 74 74 ALA HA H 74 3.777 3.777 4.059 -0.282 25064 999 1 15 . 1 1 75 75 ARG HA H 75 4.047 4.047 4.123 -0.076 25064 1000 1 15 . 1 1 77 77 LEU HA H 77 3.980 3.980 4.375 -0.395 25064 1001 1 15 . 1 1 78 78 ALA HA H 78 4.169 4.169 3.984 0.185 25064 1002 1 15 . 1 1 83 83 SER HA H 83 4.319 4.319 4.175 0.144 25064 1003 1 15 . 1 1 84 84 TRP HA H 84 4.678 4.678 4.894 -0.216 25064 1004 1 15 . 1 1 87 87 PRO HA H 87 4.329 4.329 4.440 -0.111 25064 1005 1 15 . 1 1 89 89 PHE HA H 89 4.716 4.716 4.886 -0.170 25064 1006 1 16 . 1 1 4 4 ALA HA H 4 4.260 4.260 4.412 -0.152 25064 1007 1 16 . 1 1 6 6 ALA HA H 6 4.574 4.574 4.506 0.068 25064 1008 1 16 . 1 1 7 7 PRO HA H 7 4.332 4.332 4.494 -0.162 25064 1009 1 16 . 1 1 8 8 GLU HA H 8 4.364 4.364 4.188 0.176 25064 1010 1 16 . 1 1 9 9 SER HA H 9 4.518 4.518 4.717 -0.199 25064 1011 1 16 . 1 1 10 10 ALA HA H 10 4.109 4.109 4.045 0.064 25064 1012 1 16 . 1 1 11 11 THR HA H 11 3.817 3.817 3.948 -0.131 25064 1013 1 16 . 1 1 12 12 GLU HA H 12 3.558 3.558 3.988 -0.430 25064 1014 1 16 . 1 1 13 13 LYS HA H 13 3.886 3.886 4.124 -0.238 25064 1015 1 16 . 1 1 14 14 VAL HA H 14 3.778 3.778 3.704 0.074 25064 1016 1 16 . 1 1 15 15 LEU HA H 15 3.971 3.971 4.023 -0.052 25064 1017 1 16 . 1 1 17 17 ALA HA H 17 4.204 4.204 4.162 0.042 25064 1018 1 16 . 1 1 18 18 LEU HA H 18 4.174 4.174 4.406 -0.232 25064 1019 1 16 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.219 -0.243 25064 1020 1 16 . 1 1 20 20 ALA HA H 20 3.878 3.878 4.002 -0.124 25064 1021 1 16 . 1 1 21 21 GLU HA H 21 3.984 3.984 4.165 -0.181 25064 1022 1 16 . 1 1 22 22 ILE HA H 22 3.902 3.902 4.096 -0.194 25064 1023 1 16 . 1 1 23 23 LEU HA H 23 4.129 4.129 4.150 -0.021 25064 1024 1 16 . 1 1 25 25 VAL HA H 25 4.598 4.598 4.450 0.148 25064 1025 1 16 . 1 1 26 26 GLU HA H 26 4.016 4.016 4.311 -0.295 25064 1026 1 16 . 1 1 27 27 ARG HA H 27 4.471 4.471 4.594 -0.123 25064 1027 1 16 . 1 1 28 28 VAL HA H 28 4.090 4.090 4.272 -0.182 25064 1028 1 16 . 1 1 30 30 VAL HA H 30 3.570 3.570 3.954 -0.384 25064 1029 1 16 . 1 1 31 31 ASP HA H 31 5.046 5.046 4.707 0.339 25064 1030 1 16 . 1 1 32 32 ASP HA H 32 4.615 4.615 4.687 -0.072 25064 1031 1 16 . 1 1 33 33 ALA HA H 33 4.101 4.101 4.463 -0.362 25064 1032 1 16 . 1 1 34 34 PHE HA H 34 3.973 3.973 4.039 -0.066 25064 1033 1 16 . 1 1 35 35 HIS HA H 35 4.297 4.297 4.511 -0.214 25064 1034 1 16 . 1 1 36 36 ASP HA H 36 4.515 4.515 4.543 -0.028 25064 1035 1 16 . 1 1 37 37 LEU HA H 37 4.353 4.353 4.286 0.067 25064 1036 1 16 . 1 1 37 37 LEU H H 37 7.119 7.119 7.579 -0.460 25064 1037 1 16 . 1 1 42 42 ALA HA H 42 4.210 4.210 4.259 -0.049 25064 1038 1 16 . 1 1 43 43 LEU HA H 43 4.139 4.139 4.154 -0.015 25064 1039 1 16 . 1 1 44 44 ALA HA H 44 3.604 3.604 3.529 0.075 25064 1040 1 16 . 1 1 45 45 MET HA H 45 4.171 4.171 3.978 0.193 25064 1041 1 16 . 1 1 46 46 ARG HA H 46 4.177 4.177 4.175 0.002 25064 1042 1 16 . 1 1 47 47 LEU HA H 47 3.886 3.886 4.072 -0.186 25064 1043 1 16 . 1 1 48 48 ILE HA H 48 3.557 3.557 3.440 0.117 25064 1044 1 16 . 1 1 49 49 ALA HA H 49 4.202 4.202 3.910 0.292 25064 1045 1 16 . 1 1 51 51 ILE HA H 51 3.373 3.373 3.664 -0.291 25064 1046 1 16 . 1 1 52 52 ARG HA H 52 4.070 4.070 4.273 -0.203 25064 1047 1 16 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.192 -0.223 25064 1048 1 16 . 1 1 54 54 GLU HA H 54 4.362 4.362 4.280 0.082 25064 1049 1 16 . 1 1 55 55 LEU HA H 55 4.682 4.682 4.552 0.130 25064 1050 1 16 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.402 0.015 25064 1051 1 16 . 1 1 58 58 ASP HA H 58 4.686 4.686 4.552 0.134 25064 1052 1 16 . 1 1 59 59 LEU HA H 59 4.501 4.501 4.340 0.161 25064 1053 1 16 . 1 1 60 60 PRO HA H 60 4.412 4.412 4.431 -0.019 25064 1054 1 16 . 1 1 62 62 ARG HA H 62 4.059 4.059 4.093 -0.034 25064 1055 1 16 . 1 1 63 63 GLN HA H 63 4.023 4.023 4.140 -0.117 25064 1056 1 16 . 1 1 64 64 LEU HA H 64 3.862 3.862 4.079 -0.217 25064 1057 1 16 . 1 1 64 64 LEU H H 64 7.215 7.215 7.339 -0.124 25064 1058 1 16 . 1 1 65 65 PHE HA H 65 4.368 4.368 4.369 -0.001 25064 1059 1 16 . 1 1 66 66 SER HA H 66 4.372 4.372 4.399 -0.027 25064 1060 1 16 . 1 1 68 68 PRO HA H 68 5.007 5.007 5.009 -0.002 25064 1061 1 16 . 1 1 69 69 THR HA H 69 5.524 5.524 5.315 0.209 25064 1062 1 16 . 1 1 70 70 PRO HA H 70 3.814 3.814 4.127 -0.313 25064 1063 1 16 . 1 1 71 71 ALA HA H 71 4.129 4.129 4.248 -0.119 25064 1064 1 16 . 1 1 73 73 VAL HA H 73 3.567 3.567 3.799 -0.232 25064 1065 1 16 . 1 1 74 74 ALA HA H 74 3.777 3.777 4.004 -0.227 25064 1066 1 16 . 1 1 75 75 ARG HA H 75 4.047 4.047 4.071 -0.024 25064 1067 1 16 . 1 1 77 77 LEU HA H 77 3.980 3.980 4.176 -0.196 25064 1068 1 16 . 1 1 78 78 ALA HA H 78 4.169 4.169 4.099 0.070 25064 1069 1 16 . 1 1 83 83 SER HA H 83 4.319 4.319 4.582 -0.263 25064 1070 1 16 . 1 1 84 84 TRP HA H 84 4.678 4.678 4.713 -0.035 25064 1071 1 16 . 1 1 87 87 PRO HA H 87 4.329 4.329 4.418 -0.089 25064 1072 1 16 . 1 1 89 89 PHE HA H 89 4.716 4.716 4.576 0.140 25064 1073 1 17 . 1 1 4 4 ALA HA H 4 4.260 4.260 4.410 -0.150 25064 1074 1 17 . 1 1 6 6 ALA HA H 6 4.574 4.574 4.510 0.064 25064 1075 1 17 . 1 1 7 7 PRO HA H 7 4.332 4.332 4.494 -0.162 25064 1076 1 17 . 1 1 8 8 GLU HA H 8 4.364 4.364 4.583 -0.220 25064 1077 1 17 . 1 1 9 9 SER HA H 9 4.518 4.518 4.636 -0.118 25064 1078 1 17 . 1 1 10 10 ALA HA H 10 4.109 4.109 4.140 -0.031 25064 1079 1 17 . 1 1 11 11 THR HA H 11 3.817 3.817 3.877 -0.060 25064 1080 1 17 . 1 1 12 12 GLU HA H 12 3.558 3.558 3.951 -0.393 25064 1081 1 17 . 1 1 13 13 LYS HA H 13 3.886 3.886 4.100 -0.214 25064 1082 1 17 . 1 1 14 14 VAL HA H 14 3.778 3.778 3.810 -0.032 25064 1083 1 17 . 1 1 15 15 LEU HA H 15 3.971 3.971 4.011 -0.040 25064 1084 1 17 . 1 1 17 17 ALA HA H 17 4.204 4.204 4.078 0.126 25064 1085 1 17 . 1 1 18 18 LEU HA H 18 4.174 4.174 4.044 0.130 25064 1086 1 17 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.200 -0.224 25064 1087 1 17 . 1 1 20 20 ALA HA H 20 3.878 3.878 3.987 -0.109 25064 1088 1 17 . 1 1 21 21 GLU HA H 21 3.984 3.984 4.089 -0.105 25064 1089 1 17 . 1 1 22 22 ILE HA H 22 3.902 3.902 4.056 -0.154 25064 1090 1 17 . 1 1 23 23 LEU HA H 23 4.129 4.129 4.196 -0.067 25064 1091 1 17 . 1 1 25 25 VAL HA H 25 4.598 4.598 4.490 0.108 25064 1092 1 17 . 1 1 26 26 GLU HA H 26 4.016 4.016 4.203 -0.187 25064 1093 1 17 . 1 1 27 27 ARG HA H 27 4.471 4.471 4.609 -0.138 25064 1094 1 17 . 1 1 28 28 VAL HA H 28 4.090 4.090 4.534 -0.444 25064 1095 1 17 . 1 1 30 30 VAL HA H 30 3.570 3.570 3.985 -0.415 25064 1096 1 17 . 1 1 31 31 ASP HA H 31 5.046 5.046 4.748 0.298 25064 1097 1 17 . 1 1 32 32 ASP HA H 32 4.615 4.615 4.562 0.053 25064 1098 1 17 . 1 1 33 33 ALA HA H 33 4.101 4.101 4.450 -0.349 25064 1099 1 17 . 1 1 34 34 PHE HA H 34 3.973 3.973 3.995 -0.022 25064 1100 1 17 . 1 1 35 35 HIS HA H 35 4.297 4.297 4.588 -0.291 25064 1101 1 17 . 1 1 36 36 ASP HA H 36 4.515 4.515 4.601 -0.086 25064 1102 1 17 . 1 1 37 37 LEU HA H 37 4.353 4.353 4.303 0.050 25064 1103 1 17 . 1 1 37 37 LEU H H 37 7.119 7.119 7.441 -0.322 25064 1104 1 17 . 1 1 42 42 ALA HA H 42 4.210 4.210 4.234 -0.024 25064 1105 1 17 . 1 1 43 43 LEU HA H 43 4.139 4.139 4.057 0.082 25064 1106 1 17 . 1 1 44 44 ALA HA H 44 3.604 3.604 3.630 -0.026 25064 1107 1 17 . 1 1 45 45 MET HA H 45 4.171 4.171 3.972 0.199 25064 1108 1 17 . 1 1 46 46 ARG HA H 46 4.177 4.177 4.165 0.012 25064 1109 1 17 . 1 1 47 47 LEU HA H 47 3.886 3.886 4.098 -0.212 25064 1110 1 17 . 1 1 48 48 ILE HA H 48 3.557 3.557 3.461 0.096 25064 1111 1 17 . 1 1 49 49 ALA HA H 49 4.202 4.202 3.942 0.260 25064 1112 1 17 . 1 1 51 51 ILE HA H 51 3.373 3.373 3.613 -0.240 25064 1113 1 17 . 1 1 52 52 ARG HA H 52 4.070 4.070 4.243 -0.173 25064 1114 1 17 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.214 -0.245 25064 1115 1 17 . 1 1 54 54 GLU HA H 54 4.362 4.362 4.341 0.021 25064 1116 1 17 . 1 1 55 55 LEU HA H 55 4.682 4.682 4.528 0.154 25064 1117 1 17 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.525 -0.108 25064 1118 1 17 . 1 1 58 58 ASP HA H 58 4.686 4.686 4.528 0.158 25064 1119 1 17 . 1 1 59 59 LEU HA H 59 4.501 4.501 4.321 0.180 25064 1120 1 17 . 1 1 60 60 PRO HA H 60 4.412 4.412 4.395 0.017 25064 1121 1 17 . 1 1 62 62 ARG HA H 62 4.059 4.059 3.944 0.115 25064 1122 1 17 . 1 1 63 63 GLN HA H 63 4.023 4.023 4.116 -0.093 25064 1123 1 17 . 1 1 64 64 LEU HA H 64 3.862 3.862 4.154 -0.292 25064 1124 1 17 . 1 1 64 64 LEU H H 64 7.215 7.215 7.161 0.054 25064 1125 1 17 . 1 1 65 65 PHE HA H 65 4.368 4.368 4.330 0.038 25064 1126 1 17 . 1 1 66 66 SER HA H 66 4.372 4.372 4.457 -0.085 25064 1127 1 17 . 1 1 68 68 PRO HA H 68 5.007 5.007 4.772 0.235 25064 1128 1 17 . 1 1 69 69 THR HA H 69 5.524 5.524 5.655 -0.131 25064 1129 1 17 . 1 1 70 70 PRO HA H 70 3.814 3.814 4.114 -0.300 25064 1130 1 17 . 1 1 71 71 ALA HA H 71 4.129 4.129 4.123 0.006 25064 1131 1 17 . 1 1 73 73 VAL HA H 73 3.567 3.567 3.773 -0.206 25064 1132 1 17 . 1 1 74 74 ALA HA H 74 3.777 3.777 3.978 -0.201 25064 1133 1 17 . 1 1 75 75 ARG HA H 75 4.047 4.047 4.100 -0.053 25064 1134 1 17 . 1 1 77 77 LEU HA H 77 3.980 3.980 4.189 -0.209 25064 1135 1 17 . 1 1 78 78 ALA HA H 78 4.169 4.169 4.076 0.093 25064 1136 1 17 . 1 1 83 83 SER HA H 83 4.319 4.319 4.573 -0.254 25064 1137 1 17 . 1 1 84 84 TRP HA H 84 4.678 4.678 4.644 0.034 25064 1138 1 17 . 1 1 87 87 PRO HA H 87 4.329 4.329 4.396 -0.067 25064 1139 1 17 . 1 1 89 89 PHE HA H 89 4.716 4.716 4.844 -0.128 25064 1140 1 18 . 1 1 4 4 ALA HA H 4 4.260 4.260 4.381 -0.121 25064 1141 1 18 . 1 1 6 6 ALA HA H 6 4.574 4.574 4.522 0.052 25064 1142 1 18 . 1 1 7 7 PRO HA H 7 4.332 4.332 4.500 -0.168 25064 1143 1 18 . 1 1 8 8 GLU HA H 8 4.364 4.364 4.528 -0.164 25064 1144 1 18 . 1 1 9 9 SER HA H 9 4.518 4.518 4.575 -0.057 25064 1145 1 18 . 1 1 10 10 ALA HA H 10 4.109 4.109 4.103 0.006 25064 1146 1 18 . 1 1 11 11 THR HA H 11 3.817 3.817 3.935 -0.118 25064 1147 1 18 . 1 1 12 12 GLU HA H 12 3.558 3.558 3.918 -0.360 25064 1148 1 18 . 1 1 13 13 LYS HA H 13 3.886 3.886 4.047 -0.161 25064 1149 1 18 . 1 1 14 14 VAL HA H 14 3.778 3.778 3.768 0.010 25064 1150 1 18 . 1 1 15 15 LEU HA H 15 3.971 3.971 4.220 -0.249 25064 1151 1 18 . 1 1 17 17 ALA HA H 17 4.204 4.204 4.046 0.158 25064 1152 1 18 . 1 1 18 18 LEU HA H 18 4.174 4.174 4.135 0.039 25064 1153 1 18 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.177 -0.201 25064 1154 1 18 . 1 1 20 20 ALA HA H 20 3.878 3.878 4.017 -0.139 25064 1155 1 18 . 1 1 21 21 GLU HA H 21 3.984 3.984 4.184 -0.200 25064 1156 1 18 . 1 1 22 22 ILE HA H 22 3.902 3.902 4.015 -0.113 25064 1157 1 18 . 1 1 23 23 LEU HA H 23 4.129 4.129 4.128 0.001 25064 1158 1 18 . 1 1 25 25 VAL HA H 25 4.598 4.598 4.434 0.164 25064 1159 1 18 . 1 1 26 26 GLU HA H 26 4.016 4.016 4.200 -0.184 25064 1160 1 18 . 1 1 27 27 ARG HA H 27 4.471 4.471 4.474 -0.003 25064 1161 1 18 . 1 1 28 28 VAL HA H 28 4.090 4.090 4.452 -0.362 25064 1162 1 18 . 1 1 30 30 VAL HA H 30 3.570 3.570 3.738 -0.168 25064 1163 1 18 . 1 1 31 31 ASP HA H 31 5.046 5.046 4.649 0.397 25064 1164 1 18 . 1 1 32 32 ASP HA H 32 4.615 4.615 4.695 -0.080 25064 1165 1 18 . 1 1 33 33 ALA HA H 33 4.101 4.101 4.332 -0.231 25064 1166 1 18 . 1 1 34 34 PHE HA H 34 3.973 3.973 4.071 -0.098 25064 1167 1 18 . 1 1 35 35 HIS HA H 35 4.297 4.297 4.612 -0.315 25064 1168 1 18 . 1 1 36 36 ASP HA H 36 4.515 4.515 4.598 -0.083 25064 1169 1 18 . 1 1 37 37 LEU HA H 37 4.353 4.353 4.288 0.065 25064 1170 1 18 . 1 1 37 37 LEU H H 37 7.119 7.119 7.543 -0.424 25064 1171 1 18 . 1 1 42 42 ALA HA H 42 4.210 4.210 4.215 -0.005 25064 1172 1 18 . 1 1 43 43 LEU HA H 43 4.139 4.139 4.093 0.046 25064 1173 1 18 . 1 1 44 44 ALA HA H 44 3.604 3.604 3.712 -0.108 25064 1174 1 18 . 1 1 45 45 MET HA H 45 4.171 4.171 4.103 0.068 25064 1175 1 18 . 1 1 46 46 ARG HA H 46 4.177 4.177 4.144 0.033 25064 1176 1 18 . 1 1 47 47 LEU HA H 47 3.886 3.886 4.083 -0.197 25064 1177 1 18 . 1 1 48 48 ILE HA H 48 3.557 3.557 3.479 0.078 25064 1178 1 18 . 1 1 49 49 ALA HA H 49 4.202 4.202 4.006 0.196 25064 1179 1 18 . 1 1 51 51 ILE HA H 51 3.373 3.373 3.704 -0.331 25064 1180 1 18 . 1 1 52 52 ARG HA H 52 4.070 4.070 4.263 -0.193 25064 1181 1 18 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.134 -0.165 25064 1182 1 18 . 1 1 54 54 GLU HA H 54 4.362 4.362 4.250 0.112 25064 1183 1 18 . 1 1 55 55 LEU HA H 55 4.682 4.682 4.581 0.101 25064 1184 1 18 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.466 -0.049 25064 1185 1 18 . 1 1 58 58 ASP HA H 58 4.686 4.686 4.671 0.015 25064 1186 1 18 . 1 1 59 59 LEU HA H 59 4.501 4.501 4.465 0.036 25064 1187 1 18 . 1 1 60 60 PRO HA H 60 4.412 4.412 4.405 0.007 25064 1188 1 18 . 1 1 62 62 ARG HA H 62 4.059 4.059 4.051 0.008 25064 1189 1 18 . 1 1 63 63 GLN HA H 63 4.023 4.023 4.155 -0.132 25064 1190 1 18 . 1 1 64 64 LEU HA H 64 3.862 3.862 4.045 -0.183 25064 1191 1 18 . 1 1 64 64 LEU H H 64 7.215 7.215 7.268 -0.053 25064 1192 1 18 . 1 1 65 65 PHE HA H 65 4.368 4.368 4.386 -0.018 25064 1193 1 18 . 1 1 66 66 SER HA H 66 4.372 4.372 4.482 -0.110 25064 1194 1 18 . 1 1 68 68 PRO HA H 68 5.007 5.007 4.698 0.309 25064 1195 1 18 . 1 1 69 69 THR HA H 69 5.524 5.524 5.372 0.152 25064 1196 1 18 . 1 1 70 70 PRO HA H 70 3.814 3.814 4.166 -0.352 25064 1197 1 18 . 1 1 71 71 ALA HA H 71 4.129 4.129 4.208 -0.079 25064 1198 1 18 . 1 1 73 73 VAL HA H 73 3.567 3.567 3.709 -0.142 25064 1199 1 18 . 1 1 74 74 ALA HA H 74 3.777 3.777 4.005 -0.228 25064 1200 1 18 . 1 1 75 75 ARG HA H 75 4.047 4.047 4.053 -0.006 25064 1201 1 18 . 1 1 77 77 LEU HA H 77 3.980 3.980 4.262 -0.282 25064 1202 1 18 . 1 1 78 78 ALA HA H 78 4.169 4.169 4.085 0.084 25064 1203 1 18 . 1 1 83 83 SER HA H 83 4.319 4.319 4.231 0.088 25064 1204 1 18 . 1 1 84 84 TRP HA H 84 4.678 4.678 4.977 -0.299 25064 1205 1 18 . 1 1 87 87 PRO HA H 87 4.329 4.329 4.122 0.207 25064 1206 1 18 . 1 1 89 89 PHE HA H 89 4.716 4.716 4.582 0.134 25064 1207 1 19 . 1 1 4 4 ALA HA H 4 4.260 4.260 4.321 -0.061 25064 1208 1 19 . 1 1 6 6 ALA HA H 6 4.574 4.574 4.440 0.134 25064 1209 1 19 . 1 1 7 7 PRO HA H 7 4.332 4.332 4.583 -0.251 25064 1210 1 19 . 1 1 8 8 GLU HA H 8 4.364 4.364 4.314 0.050 25064 1211 1 19 . 1 1 9 9 SER HA H 9 4.518 4.518 4.545 -0.027 25064 1212 1 19 . 1 1 10 10 ALA HA H 10 4.109 4.109 4.192 -0.083 25064 1213 1 19 . 1 1 11 11 THR HA H 11 3.817 3.817 4.099 -0.282 25064 1214 1 19 . 1 1 12 12 GLU HA H 12 3.558 3.558 4.026 -0.468 25064 1215 1 19 . 1 1 13 13 LYS HA H 13 3.886 3.886 4.021 -0.135 25064 1216 1 19 . 1 1 14 14 VAL HA H 14 3.778 3.778 3.700 0.078 25064 1217 1 19 . 1 1 15 15 LEU HA H 15 3.971 3.971 4.013 -0.042 25064 1218 1 19 . 1 1 17 17 ALA HA H 17 4.204 4.204 4.050 0.154 25064 1219 1 19 . 1 1 18 18 LEU HA H 18 4.174 4.174 4.142 0.032 25064 1220 1 19 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.212 -0.236 25064 1221 1 19 . 1 1 20 20 ALA HA H 20 3.878 3.878 3.978 -0.100 25064 1222 1 19 . 1 1 21 21 GLU HA H 21 3.984 3.984 4.069 -0.085 25064 1223 1 19 . 1 1 22 22 ILE HA H 22 3.902 3.902 3.955 -0.053 25064 1224 1 19 . 1 1 23 23 LEU HA H 23 4.129 4.129 4.275 -0.146 25064 1225 1 19 . 1 1 25 25 VAL HA H 25 4.598 4.598 4.526 0.072 25064 1226 1 19 . 1 1 26 26 GLU HA H 26 4.016 4.016 4.225 -0.209 25064 1227 1 19 . 1 1 27 27 ARG HA H 27 4.471 4.471 4.649 -0.178 25064 1228 1 19 . 1 1 28 28 VAL HA H 28 4.090 4.090 4.512 -0.422 25064 1229 1 19 . 1 1 30 30 VAL HA H 30 3.570 3.570 3.951 -0.381 25064 1230 1 19 . 1 1 31 31 ASP HA H 31 5.046 5.046 4.738 0.308 25064 1231 1 19 . 1 1 32 32 ASP HA H 32 4.615 4.615 4.640 -0.025 25064 1232 1 19 . 1 1 33 33 ALA HA H 33 4.101 4.101 4.617 -0.516 25064 1233 1 19 . 1 1 34 34 PHE HA H 34 3.973 3.973 3.979 -0.006 25064 1234 1 19 . 1 1 35 35 HIS HA H 35 4.297 4.297 4.583 -0.286 25064 1235 1 19 . 1 1 36 36 ASP HA H 36 4.515 4.515 4.643 -0.128 25064 1236 1 19 . 1 1 37 37 LEU HA H 37 4.353 4.353 4.303 0.050 25064 1237 1 19 . 1 1 37 37 LEU H H 37 7.119 7.119 7.392 -0.273 25064 1238 1 19 . 1 1 42 42 ALA HA H 42 4.210 4.210 4.248 -0.038 25064 1239 1 19 . 1 1 43 43 LEU HA H 43 4.139 4.139 4.169 -0.030 25064 1240 1 19 . 1 1 44 44 ALA HA H 44 3.604 3.604 3.692 -0.088 25064 1241 1 19 . 1 1 45 45 MET HA H 45 4.171 4.171 4.002 0.169 25064 1242 1 19 . 1 1 46 46 ARG HA H 46 4.177 4.177 4.140 0.037 25064 1243 1 19 . 1 1 47 47 LEU HA H 47 3.886 3.886 4.085 -0.199 25064 1244 1 19 . 1 1 48 48 ILE HA H 48 3.557 3.557 3.502 0.055 25064 1245 1 19 . 1 1 49 49 ALA HA H 49 4.202 4.202 3.970 0.232 25064 1246 1 19 . 1 1 51 51 ILE HA H 51 3.373 3.373 3.732 -0.359 25064 1247 1 19 . 1 1 52 52 ARG HA H 52 4.070 4.070 4.250 -0.180 25064 1248 1 19 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.167 -0.198 25064 1249 1 19 . 1 1 54 54 GLU HA H 54 4.362 4.362 4.287 0.075 25064 1250 1 19 . 1 1 55 55 LEU HA H 55 4.682 4.682 4.565 0.117 25064 1251 1 19 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.539 -0.122 25064 1252 1 19 . 1 1 58 58 ASP HA H 58 4.686 4.686 4.685 0.001 25064 1253 1 19 . 1 1 59 59 LEU HA H 59 4.501 4.501 4.445 0.056 25064 1254 1 19 . 1 1 60 60 PRO HA H 60 4.412 4.412 4.455 -0.043 25064 1255 1 19 . 1 1 62 62 ARG HA H 62 4.059 4.059 4.018 0.041 25064 1256 1 19 . 1 1 63 63 GLN HA H 63 4.023 4.023 4.186 -0.163 25064 1257 1 19 . 1 1 64 64 LEU HA H 64 3.862 3.862 4.071 -0.209 25064 1258 1 19 . 1 1 64 64 LEU H H 64 7.215 7.215 7.717 -0.502 25064 1259 1 19 . 1 1 65 65 PHE HA H 65 4.368 4.368 4.376 -0.008 25064 1260 1 19 . 1 1 66 66 SER HA H 66 4.372 4.372 4.431 -0.059 25064 1261 1 19 . 1 1 68 68 PRO HA H 68 5.007 5.007 4.967 0.040 25064 1262 1 19 . 1 1 69 69 THR HA H 69 5.524 5.524 5.549 -0.025 25064 1263 1 19 . 1 1 70 70 PRO HA H 70 3.814 3.814 4.108 -0.294 25064 1264 1 19 . 1 1 71 71 ALA HA H 71 4.129 4.129 4.273 -0.144 25064 1265 1 19 . 1 1 73 73 VAL HA H 73 3.567 3.567 3.865 -0.298 25064 1266 1 19 . 1 1 74 74 ALA HA H 74 3.777 3.777 3.975 -0.198 25064 1267 1 19 . 1 1 75 75 ARG HA H 75 4.047 4.047 4.002 0.045 25064 1268 1 19 . 1 1 77 77 LEU HA H 77 3.980 3.980 4.702 -0.722 25064 1269 1 19 . 1 1 78 78 ALA HA H 78 4.169 4.169 4.131 0.038 25064 1270 1 19 . 1 1 83 83 SER HA H 83 4.319 4.319 4.229 0.090 25064 1271 1 19 . 1 1 84 84 TRP HA H 84 4.678 4.678 4.620 0.058 25064 1272 1 19 . 1 1 87 87 PRO HA H 87 4.329 4.329 4.632 -0.303 25064 1273 1 19 . 1 1 89 89 PHE HA H 89 4.716 4.716 4.629 0.087 25064 1274 1 20 . 1 1 4 4 ALA HA H 4 4.260 4.260 4.259 0.001 25064 1275 1 20 . 1 1 6 6 ALA HA H 6 4.574 4.574 4.567 0.007 25064 1276 1 20 . 1 1 7 7 PRO HA H 7 4.332 4.332 4.518 -0.186 25064 1277 1 20 . 1 1 8 8 GLU HA H 8 4.364 4.364 4.404 -0.040 25064 1278 1 20 . 1 1 9 9 SER HA H 9 4.518 4.518 4.601 -0.083 25064 1279 1 20 . 1 1 10 10 ALA HA H 10 4.109 4.109 4.091 0.018 25064 1280 1 20 . 1 1 11 11 THR HA H 11 3.817 3.817 4.124 -0.307 25064 1281 1 20 . 1 1 12 12 GLU HA H 12 3.558 3.558 3.883 -0.325 25064 1282 1 20 . 1 1 13 13 LYS HA H 13 3.886 3.886 4.112 -0.226 25064 1283 1 20 . 1 1 14 14 VAL HA H 14 3.778 3.778 3.837 -0.059 25064 1284 1 20 . 1 1 15 15 LEU HA H 15 3.971 3.971 3.971 0.000 25064 1285 1 20 . 1 1 17 17 ALA HA H 17 4.204 4.204 4.071 0.133 25064 1286 1 20 . 1 1 18 18 LEU HA H 18 4.174 4.174 3.977 0.197 25064 1287 1 20 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.212 -0.236 25064 1288 1 20 . 1 1 20 20 ALA HA H 20 3.878 3.878 3.972 -0.094 25064 1289 1 20 . 1 1 21 21 GLU HA H 21 3.984 3.984 4.117 -0.133 25064 1290 1 20 . 1 1 22 22 ILE HA H 22 3.902 3.902 4.026 -0.124 25064 1291 1 20 . 1 1 23 23 LEU HA H 23 4.129 4.129 4.193 -0.064 25064 1292 1 20 . 1 1 25 25 VAL HA H 25 4.598 4.598 4.536 0.062 25064 1293 1 20 . 1 1 26 26 GLU HA H 26 4.016 4.016 4.293 -0.277 25064 1294 1 20 . 1 1 27 27 ARG HA H 27 4.471 4.471 4.521 -0.050 25064 1295 1 20 . 1 1 28 28 VAL HA H 28 4.090 4.090 4.596 -0.506 25064 1296 1 20 . 1 1 30 30 VAL HA H 30 3.570 3.570 3.883 -0.313 25064 1297 1 20 . 1 1 31 31 ASP HA H 31 5.046 5.046 4.809 0.237 25064 1298 1 20 . 1 1 32 32 ASP HA H 32 4.615 4.615 4.712 -0.097 25064 1299 1 20 . 1 1 33 33 ALA HA H 33 4.101 4.101 4.645 -0.544 25064 1300 1 20 . 1 1 34 34 PHE HA H 34 3.973 3.973 3.919 0.054 25064 1301 1 20 . 1 1 35 35 HIS HA H 35 4.297 4.297 4.392 -0.095 25064 1302 1 20 . 1 1 36 36 ASP HA H 36 4.515 4.515 4.616 -0.101 25064 1303 1 20 . 1 1 37 37 LEU HA H 37 4.353 4.353 4.438 -0.085 25064 1304 1 20 . 1 1 37 37 LEU H H 37 7.119 7.119 7.485 -0.366 25064 1305 1 20 . 1 1 42 42 ALA HA H 42 4.210 4.210 4.218 -0.008 25064 1306 1 20 . 1 1 43 43 LEU HA H 43 4.139 4.139 4.232 -0.093 25064 1307 1 20 . 1 1 44 44 ALA HA H 44 3.604 3.604 3.910 -0.306 25064 1308 1 20 . 1 1 45 45 MET HA H 45 4.171 4.171 3.998 0.173 25064 1309 1 20 . 1 1 46 46 ARG HA H 46 4.177 4.177 4.160 0.017 25064 1310 1 20 . 1 1 47 47 LEU HA H 47 3.886 3.886 4.117 -0.231 25064 1311 1 20 . 1 1 48 48 ILE HA H 48 3.557 3.557 3.496 0.061 25064 1312 1 20 . 1 1 49 49 ALA HA H 49 4.202 4.202 3.980 0.222 25064 1313 1 20 . 1 1 51 51 ILE HA H 51 3.373 3.373 3.696 -0.323 25064 1314 1 20 . 1 1 52 52 ARG HA H 52 4.070 4.070 4.244 -0.174 25064 1315 1 20 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.217 -0.248 25064 1316 1 20 . 1 1 54 54 GLU HA H 54 4.362 4.362 4.291 0.071 25064 1317 1 20 . 1 1 55 55 LEU HA H 55 4.682 4.682 4.547 0.135 25064 1318 1 20 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.509 -0.092 25064 1319 1 20 . 1 1 58 58 ASP HA H 58 4.686 4.686 4.552 0.134 25064 1320 1 20 . 1 1 59 59 LEU HA H 59 4.501 4.501 4.428 0.073 25064 1321 1 20 . 1 1 60 60 PRO HA H 60 4.412 4.412 4.487 -0.075 25064 1322 1 20 . 1 1 62 62 ARG HA H 62 4.059 4.059 3.926 0.133 25064 1323 1 20 . 1 1 63 63 GLN HA H 63 4.023 4.023 4.118 -0.095 25064 1324 1 20 . 1 1 64 64 LEU HA H 64 3.862 3.862 4.055 -0.193 25064 1325 1 20 . 1 1 64 64 LEU H H 64 7.215 7.215 7.409 -0.194 25064 1326 1 20 . 1 1 65 65 PHE HA H 65 4.368 4.368 4.353 0.015 25064 1327 1 20 . 1 1 66 66 SER HA H 66 4.372 4.372 4.417 -0.045 25064 1328 1 20 . 1 1 68 68 PRO HA H 68 5.007 5.007 4.963 0.044 25064 1329 1 20 . 1 1 69 69 THR HA H 69 5.524 5.524 5.531 -0.007 25064 1330 1 20 . 1 1 70 70 PRO HA H 70 3.814 3.814 3.889 -0.075 25064 1331 1 20 . 1 1 71 71 ALA HA H 71 4.129 4.129 4.249 -0.120 25064 1332 1 20 . 1 1 73 73 VAL HA H 73 3.567 3.567 3.657 -0.090 25064 1333 1 20 . 1 1 74 74 ALA HA H 74 3.777 3.777 3.988 -0.211 25064 1334 1 20 . 1 1 75 75 ARG HA H 75 4.047 4.047 4.197 -0.150 25064 1335 1 20 . 1 1 77 77 LEU HA H 77 3.980 3.980 4.354 -0.374 25064 1336 1 20 . 1 1 78 78 ALA HA H 78 4.169 4.169 4.044 0.125 25064 1337 1 20 . 1 1 83 83 SER HA H 83 4.319 4.319 3.924 0.395 25064 1338 1 20 . 1 1 84 84 TRP HA H 84 4.678 4.678 4.810 -0.132 25064 1339 1 20 . 1 1 87 87 PRO HA H 87 4.329 4.329 4.526 -0.197 25064 1340 1 20 . 1 1 89 89 PHE HA H 89 4.716 4.716 4.666 0.050 25064 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 25064 2 1 1 "Average Difference" HA 67 0.196 0.083 0.179 25064 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25064 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25064 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25064 6 1 1 "Average Difference" HN 2 0.296 0.239 0.246 25064 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25064 8 1 2 "Average Difference" HA 67 0.186 0.050 0.181 25064 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25064 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25064 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25064 12 1 2 "Average Difference" HN 2 0.204 0.125 0.227 25064 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25064 14 1 3 "Average Difference" HA 67 0.189 0.066 0.178 25064 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25064 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25064 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25064 18 1 3 "Average Difference" HN 2 0.413 0.372 0.253 25064 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25064 20 1 4 "Average Difference" HA 67 0.181 0.059 0.172 25064 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25064 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25064 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25064 24 1 4 "Average Difference" HN 2 0.226 0.181 0.191 25064 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25064 26 1 5 "Average Difference" HA 67 0.195 0.059 0.188 25064 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25064 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25064 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25064 30 1 5 "Average Difference" HN 2 0.270 0.234 0.189 25064 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25064 32 1 6 "Average Difference" HA 67 0.179 0.063 0.169 25064 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25064 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25064 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25064 36 1 6 "Average Difference" HN 2 0.316 0.218 0.324 25064 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25064 38 1 7 "Average Difference" HA 67 0.182 0.070 0.169 25064 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25064 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25064 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25064 42 1 7 "Average Difference" HN 2 0.394 0.347 0.262 25064 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25064 44 1 8 "Average Difference" HA 67 0.198 0.073 0.186 25064 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25064 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25064 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25064 48 1 8 "Average Difference" HN 2 0.416 0.368 0.274 25064 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25064 50 1 9 "Average Difference" HA 67 0.176 0.042 0.172 25064 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25064 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25064 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25064 54 1 9 "Average Difference" HN 2 0.430 0.396 0.238 25064 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25064 56 1 10 "Average Difference" HA 67 0.201 0.061 0.193 25064 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25064 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25064 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25064 60 1 10 "Average Difference" HN 2 0.502 0.421 0.387 25064 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25064 62 1 11 "Average Difference" HA 67 0.186 0.068 0.175 25064 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25064 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25064 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25064 66 1 11 "Average Difference" HN 2 0.210 0.155 0.199 25064 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25064 68 1 12 "Average Difference" HA 67 0.193 0.042 0.190 25064 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25064 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25064 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25064 72 1 12 "Average Difference" HN 2 0.216 0.205 0.096 25064 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25064 74 1 13 "Average Difference" HA 67 0.173 0.062 0.163 25064 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25064 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 25064 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25064 78 1 13 "Average Difference" HN 2 0.261 0.258 0.064 25064 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25064 80 1 14 "Average Difference" HA 67 0.193 0.051 0.188 25064 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25064 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 25064 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25064 84 1 14 "Average Difference" HN 2 0.270 0.201 0.255 25064 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25064 86 1 15 "Average Difference" HA 67 0.197 0.065 0.187 25064 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25064 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 25064 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25064 90 1 15 "Average Difference" HN 2 0.250 0.214 0.183 25064 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25064 92 1 16 "Average Difference" HA 67 0.180 0.060 0.171 25064 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25064 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 25064 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 25064 96 1 16 "Average Difference" HN 2 0.337 0.292 0.237 25064 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25064 98 1 17 "Average Difference" HA 67 0.181 0.062 0.172 25064 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25064 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 25064 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 25064 102 1 17 "Average Difference" HN 2 0.231 0.134 0.265 25064 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25064 104 1 18 "Average Difference" HA 67 0.173 0.052 0.167 25064 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25064 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 25064 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 25064 108 1 18 "Average Difference" HN 2 0.302 0.239 0.262 25064 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25064 110 1 19 "Average Difference" HA 67 0.207 0.078 0.193 25064 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25064 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 25064 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 25064 114 1 19 "Average Difference" HN 2 0.404 0.387 0.162 25064 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25064 116 1 20 "Average Difference" HA 67 0.189 0.066 0.179 25064 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25064 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 25064 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 25064 120 1 20 "Average Difference" HN 2 0.293 0.280 0.121 25064 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 25064 _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 4 4 ALA HA H 4 4.260 4.260 4.377 -0.117 25064 2 1 . 1 1 6 6 ALA HA H 6 4.574 4.574 4.492 0.082 25064 3 1 . 1 1 7 7 PRO HA H 7 4.332 4.332 4.494 -0.162 25064 4 1 . 1 1 8 8 GLU HA H 8 4.364 4.364 4.399 -0.035 25064 5 1 . 1 1 9 9 SER HA H 9 4.518 4.518 4.606 -0.088 25064 6 1 . 1 1 10 10 ALA HA H 10 4.109 4.109 4.119 -0.010 25064 7 1 . 1 1 11 11 THR HA H 11 3.817 3.817 3.988 -0.171 25064 8 1 . 1 1 12 12 GLU HA H 12 3.558 3.558 3.973 -0.415 25064 9 1 . 1 1 13 13 LYS HA H 13 3.886 3.886 4.061 -0.175 25064 10 1 . 1 1 14 14 VAL HA H 14 3.778 3.778 3.760 0.018 25064 11 1 . 1 1 15 15 LEU HA H 15 3.971 3.971 4.033 -0.062 25064 12 1 . 1 1 17 17 ALA HA H 17 4.204 4.204 4.081 0.123 25064 13 1 . 1 1 18 18 LEU HA H 18 4.174 4.174 4.071 0.103 25064 14 1 . 1 1 19 19 TYR HA H 19 3.976 3.976 4.212 -0.236 25064 15 1 . 1 1 20 20 ALA HA H 20 3.878 3.878 3.986 -0.108 25064 16 1 . 1 1 21 21 GLU HA H 21 3.984 3.984 4.114 -0.130 25064 17 1 . 1 1 22 22 ILE HA H 22 3.902 3.902 4.034 -0.132 25064 18 1 . 1 1 23 23 LEU HA H 23 4.129 4.129 4.168 -0.039 25064 19 1 . 1 1 25 25 VAL HA H 25 4.598 4.598 4.480 0.118 25064 20 1 . 1 1 26 26 GLU HA H 26 4.016 4.016 4.206 -0.190 25064 21 1 . 1 1 27 27 ARG HA H 27 4.471 4.471 4.555 -0.084 25064 22 1 . 1 1 28 28 VAL HA H 28 4.090 4.090 4.482 -0.392 25064 23 1 . 1 1 30 30 VAL HA H 30 3.570 3.570 3.935 -0.365 25064 24 1 . 1 1 31 31 ASP HA H 31 5.046 5.046 4.767 0.279 25064 25 1 . 1 1 32 32 ASP HA H 32 4.615 4.615 4.645 -0.030 25064 26 1 . 1 1 33 33 ALA HA H 33 4.101 4.101 4.511 -0.410 25064 27 1 . 1 1 34 34 PHE HA H 34 3.973 3.973 3.998 -0.025 25064 28 1 . 1 1 35 35 HIS HA H 35 4.297 4.297 4.597 -0.300 25064 29 1 . 1 1 36 36 ASP HA H 36 4.515 4.515 4.581 -0.066 25064 30 1 . 1 1 37 37 LEU HA H 37 4.353 4.353 4.309 0.044 25064 31 1 . 1 1 37 37 LEU H H 37 7.119 7.119 7.528 -0.409 25064 32 1 . 1 1 42 42 ALA HA H 42 4.210 4.210 4.239 -0.028 25064 33 1 . 1 1 43 43 LEU HA H 43 4.139 4.139 4.160 -0.021 25064 34 1 . 1 1 44 44 ALA HA H 44 3.604 3.604 3.724 -0.120 25064 35 1 . 1 1 45 45 MET HA H 45 4.171 4.171 4.048 0.123 25064 36 1 . 1 1 46 46 ARG HA H 46 4.177 4.177 4.145 0.032 25064 37 1 . 1 1 47 47 LEU HA H 47 3.886 3.886 4.098 -0.212 25064 38 1 . 1 1 48 48 ILE HA H 48 3.557 3.557 3.470 0.087 25064 39 1 . 1 1 49 49 ALA HA H 49 4.202 4.202 3.965 0.237 25064 40 1 . 1 1 51 51 ILE HA H 51 3.373 3.373 3.692 -0.319 25064 41 1 . 1 1 52 52 ARG HA H 52 4.070 4.070 4.274 -0.204 25064 42 1 . 1 1 53 53 GLU HA H 53 3.969 3.969 4.179 -0.210 25064 43 1 . 1 1 54 54 GLU HA H 54 4.362 4.362 4.290 0.072 25064 44 1 . 1 1 55 55 LEU HA H 55 4.682 4.682 4.558 0.124 25064 45 1 . 1 1 57 57 VAL HA H 57 4.417 4.417 4.483 -0.066 25064 46 1 . 1 1 58 58 ASP HA H 58 4.686 4.686 4.587 0.099 25064 47 1 . 1 1 59 59 LEU HA H 59 4.501 4.501 4.467 0.034 25064 48 1 . 1 1 60 60 PRO HA H 60 4.412 4.412 4.435 -0.023 25064 49 1 . 1 1 62 62 ARG HA H 62 4.059 4.059 3.965 0.094 25064 50 1 . 1 1 63 63 GLN HA H 63 4.023 4.023 4.126 -0.103 25064 51 1 . 1 1 64 64 LEU HA H 64 3.862 3.862 4.045 -0.183 25064 52 1 . 1 1 64 64 LEU H H 64 7.215 7.215 7.333 -0.118 25064 53 1 . 1 1 65 65 PHE HA H 65 4.368 4.368 4.358 0.010 25064 54 1 . 1 1 66 66 SER HA H 66 4.372 4.372 4.434 -0.062 25064 55 1 . 1 1 68 68 PRO HA H 68 5.007 5.007 4.891 0.116 25064 56 1 . 1 1 69 69 THR HA H 69 5.524 5.524 5.522 0.002 25064 57 1 . 1 1 70 70 PRO HA H 70 3.814 3.814 4.086 -0.272 25064 58 1 . 1 1 71 71 ALA HA H 71 4.129 4.129 4.214 -0.085 25064 59 1 . 1 1 73 73 VAL HA H 73 3.567 3.567 3.717 -0.150 25064 60 1 . 1 1 74 74 ALA HA H 74 3.777 3.777 3.982 -0.205 25064 61 1 . 1 1 75 75 ARG HA H 75 4.047 4.047 4.074 -0.027 25064 62 1 . 1 1 77 77 LEU HA H 77 3.980 3.980 4.321 -0.341 25064 63 1 . 1 1 78 78 ALA HA H 78 4.169 4.169 4.044 0.125 25064 64 1 . 1 1 83 83 SER HA H 83 4.319 4.319 4.354 -0.035 25064 65 1 . 1 1 84 84 TRP HA H 84 4.678 4.678 4.611 0.067 25064 66 1 . 1 1 87 87 PRO HA H 87 4.329 4.329 4.477 -0.148 25064 67 1 . 1 1 89 89 PHE HA H 89 4.716 4.716 4.717 -0.001 25064 stop_ save_