data_17619 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17619 _Entry.PDB_ID 2LCO 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 17619 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 TRP N N 2 119.800 119.800 118.993 0.807 17619 2 1 1 . 1 1 2 2 TRP HA H 2 4.350 4.350 4.639 -0.289 17619 3 1 1 . 1 1 2 2 TRP H H 2 7.900 7.900 6.946 0.954 17619 4 1 1 . 1 1 3 3 TRP N N 3 117.500 117.500 120.140 -2.640 17619 5 1 1 . 1 1 3 3 TRP HA H 3 4.200 4.200 4.578 -0.378 17619 6 1 1 . 1 1 3 3 TRP H H 3 6.790 6.790 7.242 -0.452 17619 7 1 1 . 1 1 4 4 LEU N N 4 120.300 120.300 120.542 -0.242 17619 8 1 1 . 1 1 4 4 LEU HA H 4 4.080 4.080 4.020 0.060 17619 9 1 1 . 1 1 4 4 LEU H H 4 7.350 7.350 8.067 -0.717 17619 10 1 1 . 1 1 5 5 ALA N N 5 117.400 117.400 121.432 -4.032 17619 11 1 1 . 1 1 5 5 ALA HA H 5 4.260 4.260 4.057 0.203 17619 12 1 1 . 1 1 5 5 ALA H H 5 7.820 7.820 7.874 -0.054 17619 13 1 1 . 1 1 6 6 LEU N N 6 114.100 114.100 117.835 -3.735 17619 14 1 1 . 1 1 6 6 LEU HA H 6 4.410 4.410 4.213 0.197 17619 15 1 1 . 1 1 6 6 LEU H H 6 7.780 7.780 8.126 -0.346 17619 16 1 1 . 1 1 7 7 ALA N N 7 119.700 119.700 122.831 -3.131 17619 17 1 1 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.211 0.189 17619 18 1 1 . 1 1 7 7 ALA H H 7 8.090 8.090 8.648 -0.558 17619 19 1 1 . 1 1 8 8 PRO HA H 8 4.140 4.140 4.100 0.040 17619 20 1 1 . 1 1 9 9 ALA N N 9 117.300 117.300 118.389 -1.089 17619 21 1 1 . 1 1 9 9 ALA HA H 9 4.180 4.180 4.197 -0.017 17619 22 1 1 . 1 1 9 9 ALA H H 9 7.250 7.250 8.253 -1.003 17619 23 1 1 . 1 1 10 10 LEU N N 10 117.000 117.000 120.007 -3.007 17619 24 1 1 . 1 1 10 10 LEU HA H 10 4.200 4.200 4.468 -0.268 17619 25 1 1 . 1 1 10 10 LEU H H 10 8.190 8.190 7.996 0.194 17619 26 1 1 . 1 1 11 11 ALA N N 11 119.600 119.600 122.798 -3.198 17619 27 1 1 . 1 1 11 11 ALA HA H 11 4.120 4.120 3.934 0.186 17619 28 1 1 . 1 1 11 11 ALA H H 11 8.230 8.230 8.154 0.076 17619 29 1 1 . 1 1 12 12 LEU N N 12 116.800 116.800 119.214 -2.414 17619 30 1 1 . 1 1 12 12 LEU HA H 12 4.210 4.210 3.960 0.250 17619 31 1 1 . 1 1 12 12 LEU H H 12 8.100 8.100 7.480 0.620 17619 32 1 1 . 1 1 13 13 ALA N N 13 120.600 120.600 121.829 -1.229 17619 33 1 1 . 1 1 13 13 ALA HA H 13 4.190 4.190 4.102 0.088 17619 34 1 1 . 1 1 13 13 ALA H H 13 8.320 8.320 7.610 0.710 17619 35 1 1 . 1 1 14 14 LEU N N 14 117.100 117.100 119.378 -2.278 17619 36 1 1 . 1 1 14 14 LEU HA H 14 4.370 4.370 2.981 1.389 17619 37 1 1 . 1 1 14 14 LEU H H 14 8.480 8.480 8.253 0.227 17619 38 1 1 . 1 1 15 15 ALA N N 15 120.900 120.900 119.590 1.310 17619 39 1 1 . 1 1 15 15 ALA HA H 15 4.360 4.360 3.994 0.366 17619 40 1 1 . 1 1 15 15 ALA H H 15 8.560 8.560 7.535 1.025 17619 41 1 1 . 1 1 16 16 LEU N N 16 117.800 117.800 119.433 -1.633 17619 42 1 1 . 1 1 16 16 LEU HA H 16 4.260 4.260 4.096 0.164 17619 43 1 1 . 1 1 16 16 LEU H H 16 8.710 8.710 7.486 1.224 17619 44 1 1 . 1 1 17 17 TRP N N 17 121.300 121.300 117.741 3.559 17619 45 1 1 . 1 1 17 17 TRP HA H 17 4.470 4.470 4.495 -0.025 17619 46 1 1 . 1 1 17 17 TRP H H 17 8.800 8.800 8.094 0.706 17619 47 1 1 . 1 1 18 18 TRP N N 18 120.700 120.700 122.245 -1.545 17619 48 1 1 . 1 1 18 18 TRP HA H 18 4.050 4.050 4.159 -0.109 17619 49 1 1 . 1 1 18 18 TRP H H 18 9.140 9.140 7.076 2.064 17619 50 1 2 . 1 1 2 2 TRP N N 2 119.800 119.800 118.968 0.832 17619 51 1 2 . 1 1 2 2 TRP HA H 2 4.350 4.350 4.643 -0.293 17619 52 1 2 . 1 1 2 2 TRP H H 2 7.900 7.900 6.934 0.966 17619 53 1 2 . 1 1 3 3 TRP N N 3 117.500 117.500 120.122 -2.622 17619 54 1 2 . 1 1 3 3 TRP HA H 3 4.200 4.200 4.594 -0.394 17619 55 1 2 . 1 1 3 3 TRP H H 3 6.790 6.790 7.249 -0.459 17619 56 1 2 . 1 1 4 4 LEU N N 4 120.300 120.300 120.723 -0.423 17619 57 1 2 . 1 1 4 4 LEU HA H 4 4.080 4.080 4.029 0.050 17619 58 1 2 . 1 1 4 4 LEU H H 4 7.350 7.350 8.099 -0.749 17619 59 1 2 . 1 1 5 5 ALA N N 5 117.400 117.400 121.900 -4.500 17619 60 1 2 . 1 1 5 5 ALA HA H 5 4.260 4.260 4.108 0.152 17619 61 1 2 . 1 1 5 5 ALA H H 5 7.820 7.820 7.809 0.011 17619 62 1 2 . 1 1 6 6 LEU N N 6 114.100 114.100 115.864 -1.764 17619 63 1 2 . 1 1 6 6 LEU HA H 6 4.410 4.410 4.520 -0.110 17619 64 1 2 . 1 1 6 6 LEU H H 6 7.780 7.780 8.135 -0.355 17619 65 1 2 . 1 1 7 7 ALA N N 7 119.700 119.700 122.834 -3.134 17619 66 1 2 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.371 0.029 17619 67 1 2 . 1 1 7 7 ALA H H 7 8.090 8.090 8.609 -0.519 17619 68 1 2 . 1 1 8 8 PRO HA H 8 4.140 4.140 4.153 -0.013 17619 69 1 2 . 1 1 9 9 ALA N N 9 117.300 117.300 118.331 -1.031 17619 70 1 2 . 1 1 9 9 ALA HA H 9 4.180 4.180 4.211 -0.031 17619 71 1 2 . 1 1 9 9 ALA H H 9 7.250 7.250 8.470 -1.220 17619 72 1 2 . 1 1 10 10 LEU N N 10 117.000 117.000 119.327 -2.327 17619 73 1 2 . 1 1 10 10 LEU HA H 10 4.200 4.200 4.451 -0.251 17619 74 1 2 . 1 1 10 10 LEU H H 10 8.190 8.190 7.723 0.467 17619 75 1 2 . 1 1 11 11 ALA N N 11 119.600 119.600 122.468 -2.868 17619 76 1 2 . 1 1 11 11 ALA HA H 11 4.120 4.120 3.946 0.174 17619 77 1 2 . 1 1 11 11 ALA H H 11 8.230 8.230 8.202 0.028 17619 78 1 2 . 1 1 12 12 LEU N N 12 116.800 116.800 119.116 -2.316 17619 79 1 2 . 1 1 12 12 LEU HA H 12 4.210 4.210 3.957 0.253 17619 80 1 2 . 1 1 12 12 LEU H H 12 8.100 8.100 7.463 0.637 17619 81 1 2 . 1 1 13 13 ALA N N 13 120.600 120.600 121.837 -1.237 17619 82 1 2 . 1 1 13 13 ALA HA H 13 4.190 4.190 4.086 0.104 17619 83 1 2 . 1 1 13 13 ALA H H 13 8.320 8.320 7.617 0.703 17619 84 1 2 . 1 1 14 14 LEU N N 14 117.100 117.100 119.380 -2.280 17619 85 1 2 . 1 1 14 14 LEU HA H 14 4.370 4.370 2.976 1.394 17619 86 1 2 . 1 1 14 14 LEU H H 14 8.480 8.480 8.191 0.289 17619 87 1 2 . 1 1 15 15 ALA N N 15 120.900 120.900 119.592 1.308 17619 88 1 2 . 1 1 15 15 ALA HA H 15 4.360 4.360 3.982 0.378 17619 89 1 2 . 1 1 15 15 ALA H H 15 8.560 8.560 7.548 1.012 17619 90 1 2 . 1 1 16 16 LEU N N 16 117.800 117.800 119.392 -1.592 17619 91 1 2 . 1 1 16 16 LEU HA H 16 4.260 4.260 4.094 0.166 17619 92 1 2 . 1 1 16 16 LEU H H 16 8.710 8.710 7.493 1.217 17619 93 1 2 . 1 1 17 17 TRP N N 17 121.300 121.300 117.773 3.527 17619 94 1 2 . 1 1 17 17 TRP HA H 17 4.470 4.470 4.490 -0.020 17619 95 1 2 . 1 1 17 17 TRP H H 17 8.800 8.800 8.066 0.734 17619 96 1 2 . 1 1 18 18 TRP N N 18 120.700 120.700 122.256 -1.556 17619 97 1 2 . 1 1 18 18 TRP HA H 18 4.050 4.050 4.175 -0.125 17619 98 1 2 . 1 1 18 18 TRP H H 18 9.140 9.140 7.070 2.070 17619 99 1 3 . 1 1 2 2 TRP N N 2 119.800 119.800 118.992 0.808 17619 100 1 3 . 1 1 2 2 TRP HA H 2 4.350 4.350 4.637 -0.287 17619 101 1 3 . 1 1 2 2 TRP H H 2 7.900 7.900 6.944 0.956 17619 102 1 3 . 1 1 3 3 TRP N N 3 117.500 117.500 120.134 -2.634 17619 103 1 3 . 1 1 3 3 TRP HA H 3 4.200 4.200 4.580 -0.380 17619 104 1 3 . 1 1 3 3 TRP H H 3 6.790 6.790 7.242 -0.452 17619 105 1 3 . 1 1 4 4 LEU N N 4 120.300 120.300 120.578 -0.278 17619 106 1 3 . 1 1 4 4 LEU HA H 4 4.080 4.080 4.021 0.059 17619 107 1 3 . 1 1 4 4 LEU H H 4 7.350 7.350 8.066 -0.716 17619 108 1 3 . 1 1 5 5 ALA N N 5 117.400 117.400 121.448 -4.048 17619 109 1 3 . 1 1 5 5 ALA HA H 5 4.260 4.260 4.057 0.203 17619 110 1 3 . 1 1 5 5 ALA H H 5 7.820 7.820 7.860 -0.040 17619 111 1 3 . 1 1 6 6 LEU N N 6 114.100 114.100 117.748 -3.648 17619 112 1 3 . 1 1 6 6 LEU HA H 6 4.410 4.410 4.229 0.181 17619 113 1 3 . 1 1 6 6 LEU H H 6 7.780 7.780 8.186 -0.406 17619 114 1 3 . 1 1 7 7 ALA N N 7 119.700 119.700 122.953 -3.253 17619 115 1 3 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.199 0.201 17619 116 1 3 . 1 1 7 7 ALA H H 7 8.090 8.090 8.625 -0.535 17619 117 1 3 . 1 1 8 8 PRO HA H 8 4.140 4.140 4.084 0.056 17619 118 1 3 . 1 1 9 9 ALA N N 9 117.300 117.300 116.489 0.811 17619 119 1 3 . 1 1 9 9 ALA HA H 9 4.180 4.180 4.240 -0.060 17619 120 1 3 . 1 1 9 9 ALA H H 9 7.250 7.250 8.294 -1.044 17619 121 1 3 . 1 1 10 10 LEU N N 10 117.000 117.000 120.319 -3.319 17619 122 1 3 . 1 1 10 10 LEU HA H 10 4.200 4.200 4.464 -0.264 17619 123 1 3 . 1 1 10 10 LEU H H 10 8.190 8.190 7.792 0.398 17619 124 1 3 . 1 1 11 11 ALA N N 11 119.600 119.600 122.686 -3.086 17619 125 1 3 . 1 1 11 11 ALA HA H 11 4.120 4.120 3.942 0.178 17619 126 1 3 . 1 1 11 11 ALA H H 11 8.230 8.230 8.565 -0.335 17619 127 1 3 . 1 1 12 12 LEU N N 12 116.800 116.800 119.250 -2.450 17619 128 1 3 . 1 1 12 12 LEU HA H 12 4.210 4.210 3.969 0.241 17619 129 1 3 . 1 1 12 12 LEU H H 12 8.100 8.100 7.447 0.653 17619 130 1 3 . 1 1 13 13 ALA N N 13 120.600 120.600 121.805 -1.205 17619 131 1 3 . 1 1 13 13 ALA HA H 13 4.190 4.190 4.135 0.055 17619 132 1 3 . 1 1 13 13 ALA H H 13 8.320 8.320 7.631 0.689 17619 133 1 3 . 1 1 14 14 LEU N N 14 117.100 117.100 119.386 -2.286 17619 134 1 3 . 1 1 14 14 LEU HA H 14 4.370 4.370 3.011 1.359 17619 135 1 3 . 1 1 14 14 LEU H H 14 8.480 8.480 8.313 0.167 17619 136 1 3 . 1 1 15 15 ALA N N 15 120.900 120.900 119.783 1.117 17619 137 1 3 . 1 1 15 15 ALA HA H 15 4.360 4.360 4.013 0.347 17619 138 1 3 . 1 1 15 15 ALA H H 15 8.560 8.560 7.502 1.058 17619 139 1 3 . 1 1 16 16 LEU N N 16 117.800 117.800 120.064 -2.264 17619 140 1 3 . 1 1 16 16 LEU HA H 16 4.260 4.260 4.166 0.094 17619 141 1 3 . 1 1 16 16 LEU H H 16 8.710 8.710 7.530 1.180 17619 142 1 3 . 1 1 17 17 TRP N N 17 121.300 121.300 117.488 3.812 17619 143 1 3 . 1 1 17 17 TRP HA H 17 4.470 4.470 4.491 -0.021 17619 144 1 3 . 1 1 17 17 TRP H H 17 8.800 8.800 8.052 0.748 17619 145 1 3 . 1 1 18 18 TRP N N 18 120.700 120.700 122.258 -1.558 17619 146 1 3 . 1 1 18 18 TRP HA H 18 4.050 4.050 4.107 -0.057 17619 147 1 3 . 1 1 18 18 TRP H H 18 9.140 9.140 7.140 2.000 17619 148 1 4 . 1 1 2 2 TRP N N 2 119.800 119.800 118.996 0.804 17619 149 1 4 . 1 1 2 2 TRP HA H 2 4.350 4.350 4.639 -0.289 17619 150 1 4 . 1 1 2 2 TRP H H 2 7.900 7.900 6.934 0.966 17619 151 1 4 . 1 1 3 3 TRP N N 3 117.500 117.500 120.125 -2.625 17619 152 1 4 . 1 1 3 3 TRP HA H 3 4.200 4.200 4.580 -0.380 17619 153 1 4 . 1 1 3 3 TRP H H 3 6.790 6.790 7.240 -0.450 17619 154 1 4 . 1 1 4 4 LEU N N 4 120.300 120.300 120.546 -0.246 17619 155 1 4 . 1 1 4 4 LEU HA H 4 4.080 4.080 4.021 0.059 17619 156 1 4 . 1 1 4 4 LEU H H 4 7.350 7.350 8.063 -0.713 17619 157 1 4 . 1 1 5 5 ALA N N 5 117.400 117.400 121.427 -4.027 17619 158 1 4 . 1 1 5 5 ALA HA H 5 4.260 4.260 4.058 0.202 17619 159 1 4 . 1 1 5 5 ALA H H 5 7.820 7.820 7.873 -0.053 17619 160 1 4 . 1 1 6 6 LEU N N 6 114.100 114.100 117.819 -3.719 17619 161 1 4 . 1 1 6 6 LEU HA H 6 4.410 4.410 4.216 0.194 17619 162 1 4 . 1 1 6 6 LEU H H 6 7.780 7.780 8.109 -0.329 17619 163 1 4 . 1 1 7 7 ALA N N 7 119.700 119.700 122.750 -3.050 17619 164 1 4 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.241 0.159 17619 165 1 4 . 1 1 7 7 ALA H H 7 8.090 8.090 8.660 -0.570 17619 166 1 4 . 1 1 8 8 PRO HA H 8 4.140 4.140 4.108 0.032 17619 167 1 4 . 1 1 9 9 ALA N N 9 117.300 117.300 118.426 -1.126 17619 168 1 4 . 1 1 9 9 ALA HA H 9 4.180 4.180 4.196 -0.016 17619 169 1 4 . 1 1 9 9 ALA H H 9 7.250 7.250 8.272 -1.022 17619 170 1 4 . 1 1 10 10 LEU N N 10 117.000 117.000 119.027 -2.027 17619 171 1 4 . 1 1 10 10 LEU HA H 10 4.200 4.200 4.507 -0.307 17619 172 1 4 . 1 1 10 10 LEU H H 10 8.190 8.190 8.237 -0.047 17619 173 1 4 . 1 1 11 11 ALA N N 11 119.600 119.600 122.830 -3.230 17619 174 1 4 . 1 1 11 11 ALA HA H 11 4.120 4.120 3.934 0.186 17619 175 1 4 . 1 1 11 11 ALA H H 11 8.230 8.230 7.878 0.352 17619 176 1 4 . 1 1 12 12 LEU N N 12 116.800 116.800 118.905 -2.105 17619 177 1 4 . 1 1 12 12 LEU HA H 12 4.210 4.210 3.975 0.235 17619 178 1 4 . 1 1 12 12 LEU H H 12 8.100 8.100 7.538 0.562 17619 179 1 4 . 1 1 13 13 ALA N N 13 120.600 120.600 121.291 -0.691 17619 180 1 4 . 1 1 13 13 ALA HA H 13 4.190 4.190 4.116 0.074 17619 181 1 4 . 1 1 13 13 ALA H H 13 8.320 8.320 7.810 0.510 17619 182 1 4 . 1 1 14 14 LEU N N 14 117.100 117.100 119.660 -2.560 17619 183 1 4 . 1 1 14 14 LEU HA H 14 4.370 4.370 3.025 1.345 17619 184 1 4 . 1 1 14 14 LEU H H 14 8.480 8.480 8.819 -0.339 17619 185 1 4 . 1 1 15 15 ALA N N 15 120.900 120.900 119.662 1.238 17619 186 1 4 . 1 1 15 15 ALA HA H 15 4.360 4.360 4.009 0.351 17619 187 1 4 . 1 1 15 15 ALA H H 15 8.560 8.560 7.534 1.026 17619 188 1 4 . 1 1 16 16 LEU N N 16 117.800 117.800 119.261 -1.461 17619 189 1 4 . 1 1 16 16 LEU HA H 16 4.260 4.260 4.175 0.085 17619 190 1 4 . 1 1 16 16 LEU H H 16 8.710 8.710 7.581 1.129 17619 191 1 4 . 1 1 17 17 TRP N N 17 121.300 121.300 117.674 3.626 17619 192 1 4 . 1 1 17 17 TRP HA H 17 4.470 4.470 4.505 -0.035 17619 193 1 4 . 1 1 17 17 TRP H H 17 8.800 8.800 8.024 0.776 17619 194 1 4 . 1 1 18 18 TRP N N 18 120.700 120.700 122.288 -1.588 17619 195 1 4 . 1 1 18 18 TRP HA H 18 4.050 4.050 4.099 -0.049 17619 196 1 4 . 1 1 18 18 TRP H H 18 9.140 9.140 7.195 1.945 17619 197 1 5 . 1 1 2 2 TRP N N 2 119.800 119.800 118.993 0.807 17619 198 1 5 . 1 1 2 2 TRP HA H 2 4.350 4.350 4.639 -0.289 17619 199 1 5 . 1 1 2 2 TRP H H 2 7.900 7.900 6.939 0.961 17619 200 1 5 . 1 1 3 3 TRP N N 3 117.500 117.500 120.138 -2.638 17619 201 1 5 . 1 1 3 3 TRP HA H 3 4.200 4.200 4.578 -0.378 17619 202 1 5 . 1 1 3 3 TRP H H 3 6.790 6.790 7.241 -0.451 17619 203 1 5 . 1 1 4 4 LEU N N 4 120.300 120.300 120.534 -0.234 17619 204 1 5 . 1 1 4 4 LEU HA H 4 4.080 4.080 4.023 0.057 17619 205 1 5 . 1 1 4 4 LEU H H 4 7.350 7.350 8.062 -0.712 17619 206 1 5 . 1 1 5 5 ALA N N 5 117.400 117.400 121.357 -3.957 17619 207 1 5 . 1 1 5 5 ALA HA H 5 4.260 4.260 4.064 0.196 17619 208 1 5 . 1 1 5 5 ALA H H 5 7.820 7.820 7.852 -0.032 17619 209 1 5 . 1 1 6 6 LEU N N 6 114.100 114.100 117.733 -3.633 17619 210 1 5 . 1 1 6 6 LEU HA H 6 4.410 4.410 4.262 0.148 17619 211 1 5 . 1 1 6 6 LEU H H 6 7.780 7.780 8.134 -0.354 17619 212 1 5 . 1 1 7 7 ALA N N 7 119.700 119.700 122.988 -3.288 17619 213 1 5 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.186 0.214 17619 214 1 5 . 1 1 7 7 ALA H H 7 8.090 8.090 8.630 -0.540 17619 215 1 5 . 1 1 8 8 PRO HA H 8 4.140 4.140 4.087 0.053 17619 216 1 5 . 1 1 9 9 ALA N N 9 117.300 117.300 116.442 0.858 17619 217 1 5 . 1 1 9 9 ALA HA H 9 4.180 4.180 4.248 -0.068 17619 218 1 5 . 1 1 9 9 ALA H H 9 7.250 7.250 8.335 -1.085 17619 219 1 5 . 1 1 10 10 LEU N N 10 117.000 117.000 120.362 -3.362 17619 220 1 5 . 1 1 10 10 LEU HA H 10 4.200 4.200 4.470 -0.270 17619 221 1 5 . 1 1 10 10 LEU H H 10 8.190 8.190 7.747 0.443 17619 222 1 5 . 1 1 11 11 ALA N N 11 119.600 119.600 122.754 -3.154 17619 223 1 5 . 1 1 11 11 ALA HA H 11 4.120 4.120 3.954 0.166 17619 224 1 5 . 1 1 11 11 ALA H H 11 8.230 8.230 8.539 -0.309 17619 225 1 5 . 1 1 12 12 LEU N N 12 116.800 116.800 120.261 -3.461 17619 226 1 5 . 1 1 12 12 LEU HA H 12 4.210 4.210 4.009 0.201 17619 227 1 5 . 1 1 12 12 LEU H H 12 8.100 8.100 7.489 0.611 17619 228 1 5 . 1 1 13 13 ALA N N 13 120.600 120.600 121.486 -0.886 17619 229 1 5 . 1 1 13 13 ALA HA H 13 4.190 4.190 4.118 0.072 17619 230 1 5 . 1 1 13 13 ALA H H 13 8.320 8.320 7.633 0.687 17619 231 1 5 . 1 1 14 14 LEU N N 14 117.100 117.100 119.401 -2.301 17619 232 1 5 . 1 1 14 14 LEU HA H 14 4.370 4.370 3.006 1.364 17619 233 1 5 . 1 1 14 14 LEU H H 14 8.480 8.480 8.367 0.113 17619 234 1 5 . 1 1 15 15 ALA N N 15 120.900 120.900 119.647 1.253 17619 235 1 5 . 1 1 15 15 ALA HA H 15 4.360 4.360 4.008 0.352 17619 236 1 5 . 1 1 15 15 ALA H H 15 8.560 8.560 7.476 1.084 17619 237 1 5 . 1 1 16 16 LEU N N 16 117.800 117.800 119.259 -1.459 17619 238 1 5 . 1 1 16 16 LEU HA H 16 4.260 4.260 4.174 0.086 17619 239 1 5 . 1 1 16 16 LEU H H 16 8.710 8.710 7.640 1.070 17619 240 1 5 . 1 1 17 17 TRP N N 17 121.300 121.300 117.715 3.585 17619 241 1 5 . 1 1 17 17 TRP HA H 17 4.470 4.470 4.504 -0.034 17619 242 1 5 . 1 1 17 17 TRP H H 17 8.800 8.800 8.037 0.763 17619 243 1 5 . 1 1 18 18 TRP N N 18 120.700 120.700 122.306 -1.606 17619 244 1 5 . 1 1 18 18 TRP HA H 18 4.050 4.050 4.111 -0.061 17619 245 1 5 . 1 1 18 18 TRP H H 18 9.140 9.140 7.169 1.971 17619 246 1 6 . 1 1 2 2 TRP N N 2 119.800 119.800 118.999 0.801 17619 247 1 6 . 1 1 2 2 TRP HA H 2 4.350 4.350 4.641 -0.291 17619 248 1 6 . 1 1 2 2 TRP H H 2 7.900 7.900 6.936 0.964 17619 249 1 6 . 1 1 3 3 TRP N N 3 117.500 117.500 120.162 -2.662 17619 250 1 6 . 1 1 3 3 TRP HA H 3 4.200 4.200 4.580 -0.380 17619 251 1 6 . 1 1 3 3 TRP H H 3 6.790 6.790 7.240 -0.450 17619 252 1 6 . 1 1 4 4 LEU N N 4 120.300 120.300 120.579 -0.279 17619 253 1 6 . 1 1 4 4 LEU HA H 4 4.080 4.080 4.020 0.060 17619 254 1 6 . 1 1 4 4 LEU H H 4 7.350 7.350 8.078 -0.728 17619 255 1 6 . 1 1 5 5 ALA N N 5 117.400 117.400 121.570 -4.170 17619 256 1 6 . 1 1 5 5 ALA HA H 5 4.260 4.260 4.068 0.192 17619 257 1 6 . 1 1 5 5 ALA H H 5 7.820 7.820 7.840 -0.019 17619 258 1 6 . 1 1 6 6 LEU N N 6 114.100 114.100 117.357 -3.257 17619 259 1 6 . 1 1 6 6 LEU HA H 6 4.410 4.410 4.253 0.157 17619 260 1 6 . 1 1 6 6 LEU H H 6 7.780 7.780 8.084 -0.304 17619 261 1 6 . 1 1 7 7 ALA N N 7 119.700 119.700 122.577 -2.877 17619 262 1 6 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.317 0.083 17619 263 1 6 . 1 1 7 7 ALA H H 7 8.090 8.090 8.499 -0.409 17619 264 1 6 . 1 1 8 8 PRO HA H 8 4.140 4.140 4.136 0.004 17619 265 1 6 . 1 1 9 9 ALA N N 9 117.300 117.300 118.315 -1.015 17619 266 1 6 . 1 1 9 9 ALA HA H 9 4.180 4.180 4.237 -0.057 17619 267 1 6 . 1 1 9 9 ALA H H 9 7.250 7.250 7.933 -0.683 17619 268 1 6 . 1 1 10 10 LEU N N 10 117.000 117.000 116.961 0.039 17619 269 1 6 . 1 1 10 10 LEU HA H 10 4.200 4.200 4.351 -0.151 17619 270 1 6 . 1 1 10 10 LEU H H 10 8.190 8.190 8.580 -0.390 17619 271 1 6 . 1 1 11 11 ALA N N 11 119.600 119.600 123.391 -3.791 17619 272 1 6 . 1 1 11 11 ALA HA H 11 4.120 4.120 3.916 0.204 17619 273 1 6 . 1 1 11 11 ALA H H 11 8.230 8.230 8.381 -0.151 17619 274 1 6 . 1 1 12 12 LEU N N 12 116.800 116.800 119.508 -2.708 17619 275 1 6 . 1 1 12 12 LEU HA H 12 4.210 4.210 4.060 0.150 17619 276 1 6 . 1 1 12 12 LEU H H 12 8.100 8.100 7.382 0.718 17619 277 1 6 . 1 1 13 13 ALA N N 13 120.600 120.600 121.476 -0.876 17619 278 1 6 . 1 1 13 13 ALA HA H 13 4.190 4.190 4.072 0.118 17619 279 1 6 . 1 1 13 13 ALA H H 13 8.320 8.320 8.031 0.289 17619 280 1 6 . 1 1 14 14 LEU N N 14 117.100 117.100 119.643 -2.543 17619 281 1 6 . 1 1 14 14 LEU HA H 14 4.370 4.370 3.007 1.363 17619 282 1 6 . 1 1 14 14 LEU H H 14 8.480 8.480 8.786 -0.306 17619 283 1 6 . 1 1 15 15 ALA N N 15 120.900 120.900 119.568 1.332 17619 284 1 6 . 1 1 15 15 ALA HA H 15 4.360 4.360 3.997 0.363 17619 285 1 6 . 1 1 15 15 ALA H H 15 8.560 8.560 7.470 1.090 17619 286 1 6 . 1 1 16 16 LEU N N 16 117.800 117.800 119.536 -1.736 17619 287 1 6 . 1 1 16 16 LEU HA H 16 4.260 4.260 4.099 0.161 17619 288 1 6 . 1 1 16 16 LEU H H 16 8.710 8.710 7.561 1.149 17619 289 1 6 . 1 1 17 17 TRP N N 17 121.300 121.300 117.670 3.630 17619 290 1 6 . 1 1 17 17 TRP HA H 17 4.470 4.470 4.502 -0.032 17619 291 1 6 . 1 1 17 17 TRP H H 17 8.800 8.800 8.020 0.780 17619 292 1 6 . 1 1 18 18 TRP N N 18 120.700 120.700 122.313 -1.613 17619 293 1 6 . 1 1 18 18 TRP HA H 18 4.050 4.050 4.104 -0.054 17619 294 1 6 . 1 1 18 18 TRP H H 18 9.140 9.140 7.210 1.930 17619 295 1 7 . 1 1 2 2 TRP N N 2 119.800 119.800 118.995 0.805 17619 296 1 7 . 1 1 2 2 TRP HA H 2 4.350 4.350 4.638 -0.288 17619 297 1 7 . 1 1 2 2 TRP H H 2 7.900 7.900 6.942 0.958 17619 298 1 7 . 1 1 3 3 TRP N N 3 117.500 117.500 120.147 -2.647 17619 299 1 7 . 1 1 3 3 TRP HA H 3 4.200 4.200 4.579 -0.379 17619 300 1 7 . 1 1 3 3 TRP H H 3 6.790 6.790 7.240 -0.450 17619 301 1 7 . 1 1 4 4 LEU N N 4 120.300 120.300 120.551 -0.251 17619 302 1 7 . 1 1 4 4 LEU HA H 4 4.080 4.080 4.021 0.059 17619 303 1 7 . 1 1 4 4 LEU H H 4 7.350 7.350 8.069 -0.719 17619 304 1 7 . 1 1 5 5 ALA N N 5 117.400 117.400 121.423 -4.023 17619 305 1 7 . 1 1 5 5 ALA HA H 5 4.260 4.260 4.057 0.203 17619 306 1 7 . 1 1 5 5 ALA H H 5 7.820 7.820 7.874 -0.054 17619 307 1 7 . 1 1 6 6 LEU N N 6 114.100 114.100 117.779 -3.679 17619 308 1 7 . 1 1 6 6 LEU HA H 6 4.410 4.410 4.217 0.193 17619 309 1 7 . 1 1 6 6 LEU H H 6 7.780 7.780 8.121 -0.341 17619 310 1 7 . 1 1 7 7 ALA N N 7 119.700 119.700 122.757 -3.057 17619 311 1 7 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.239 0.161 17619 312 1 7 . 1 1 7 7 ALA H H 7 8.090 8.090 8.654 -0.564 17619 313 1 7 . 1 1 8 8 PRO HA H 8 4.140 4.140 4.109 0.031 17619 314 1 7 . 1 1 9 9 ALA N N 9 117.300 117.300 118.395 -1.095 17619 315 1 7 . 1 1 9 9 ALA HA H 9 4.180 4.180 4.197 -0.017 17619 316 1 7 . 1 1 9 9 ALA H H 9 7.250 7.250 8.278 -1.028 17619 317 1 7 . 1 1 10 10 LEU N N 10 117.000 117.000 119.115 -2.115 17619 318 1 7 . 1 1 10 10 LEU HA H 10 4.200 4.200 4.485 -0.285 17619 319 1 7 . 1 1 10 10 LEU H H 10 8.190 8.190 8.161 0.029 17619 320 1 7 . 1 1 11 11 ALA N N 11 119.600 119.600 122.553 -2.953 17619 321 1 7 . 1 1 11 11 ALA HA H 11 4.120 4.120 3.964 0.156 17619 322 1 7 . 1 1 11 11 ALA H H 11 8.230 8.230 7.806 0.424 17619 323 1 7 . 1 1 12 12 LEU N N 12 116.800 116.800 120.290 -3.490 17619 324 1 7 . 1 1 12 12 LEU HA H 12 4.210 4.210 4.063 0.147 17619 325 1 7 . 1 1 12 12 LEU H H 12 8.100 8.100 7.451 0.649 17619 326 1 7 . 1 1 13 13 ALA N N 13 120.600 120.600 121.288 -0.688 17619 327 1 7 . 1 1 13 13 ALA HA H 13 4.190 4.190 4.090 0.101 17619 328 1 7 . 1 1 13 13 ALA H H 13 8.320 8.320 7.672 0.648 17619 329 1 7 . 1 1 14 14 LEU N N 14 117.100 117.100 119.359 -2.259 17619 330 1 7 . 1 1 14 14 LEU HA H 14 4.370 4.370 2.994 1.376 17619 331 1 7 . 1 1 14 14 LEU H H 14 8.480 8.480 8.310 0.170 17619 332 1 7 . 1 1 15 15 ALA N N 15 120.900 120.900 119.775 1.125 17619 333 1 7 . 1 1 15 15 ALA HA H 15 4.360 4.360 4.000 0.360 17619 334 1 7 . 1 1 15 15 ALA H H 15 8.560 8.560 7.471 1.089 17619 335 1 7 . 1 1 16 16 LEU N N 16 117.800 117.800 120.026 -2.226 17619 336 1 7 . 1 1 16 16 LEU HA H 16 4.260 4.260 4.154 0.106 17619 337 1 7 . 1 1 16 16 LEU H H 16 8.710 8.710 7.525 1.185 17619 338 1 7 . 1 1 17 17 TRP N N 17 121.300 121.300 117.495 3.805 17619 339 1 7 . 1 1 17 17 TRP HA H 17 4.470 4.470 4.487 -0.017 17619 340 1 7 . 1 1 17 17 TRP H H 17 8.800 8.800 7.999 0.801 17619 341 1 7 . 1 1 18 18 TRP N N 18 120.700 120.700 122.259 -1.559 17619 342 1 7 . 1 1 18 18 TRP HA H 18 4.050 4.050 4.131 -0.081 17619 343 1 7 . 1 1 18 18 TRP H H 18 9.140 9.140 7.096 2.044 17619 344 1 8 . 1 1 2 2 TRP N N 2 119.800 119.800 118.998 0.802 17619 345 1 8 . 1 1 2 2 TRP HA H 2 4.350 4.350 4.640 -0.290 17619 346 1 8 . 1 1 2 2 TRP H H 2 7.900 7.900 6.934 0.966 17619 347 1 8 . 1 1 3 3 TRP N N 3 117.500 117.500 120.125 -2.625 17619 348 1 8 . 1 1 3 3 TRP HA H 3 4.200 4.200 4.581 -0.381 17619 349 1 8 . 1 1 3 3 TRP H H 3 6.790 6.790 7.241 -0.451 17619 350 1 8 . 1 1 4 4 LEU N N 4 120.300 120.300 120.529 -0.229 17619 351 1 8 . 1 1 4 4 LEU HA H 4 4.080 4.080 4.022 0.058 17619 352 1 8 . 1 1 4 4 LEU H H 4 7.350 7.350 8.066 -0.716 17619 353 1 8 . 1 1 5 5 ALA N N 5 117.400 117.400 121.432 -4.032 17619 354 1 8 . 1 1 5 5 ALA HA H 5 4.260 4.260 4.059 0.201 17619 355 1 8 . 1 1 5 5 ALA H H 5 7.820 7.820 7.879 -0.059 17619 356 1 8 . 1 1 6 6 LEU N N 6 114.100 114.100 117.819 -3.719 17619 357 1 8 . 1 1 6 6 LEU HA H 6 4.410 4.410 4.213 0.198 17619 358 1 8 . 1 1 6 6 LEU H H 6 7.780 7.780 8.084 -0.304 17619 359 1 8 . 1 1 7 7 ALA N N 7 119.700 119.700 122.695 -2.995 17619 360 1 8 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.250 0.150 17619 361 1 8 . 1 1 7 7 ALA H H 7 8.090 8.090 8.662 -0.572 17619 362 1 8 . 1 1 8 8 PRO HA H 8 4.140 4.140 4.107 0.033 17619 363 1 8 . 1 1 9 9 ALA N N 9 117.300 117.300 118.449 -1.149 17619 364 1 8 . 1 1 9 9 ALA HA H 9 4.180 4.180 4.190 -0.010 17619 365 1 8 . 1 1 9 9 ALA H H 9 7.250 7.250 8.259 -1.009 17619 366 1 8 . 1 1 10 10 LEU N N 10 117.000 117.000 119.050 -2.050 17619 367 1 8 . 1 1 10 10 LEU HA H 10 4.200 4.200 4.498 -0.298 17619 368 1 8 . 1 1 10 10 LEU H H 10 8.190 8.190 8.285 -0.095 17619 369 1 8 . 1 1 11 11 ALA N N 11 119.600 119.600 123.063 -3.463 17619 370 1 8 . 1 1 11 11 ALA HA H 11 4.120 4.120 3.926 0.194 17619 371 1 8 . 1 1 11 11 ALA H H 11 8.230 8.230 7.995 0.235 17619 372 1 8 . 1 1 12 12 LEU N N 12 116.800 116.800 119.330 -2.530 17619 373 1 8 . 1 1 12 12 LEU HA H 12 4.210 4.210 3.994 0.216 17619 374 1 8 . 1 1 12 12 LEU H H 12 8.100 8.100 7.671 0.429 17619 375 1 8 . 1 1 13 13 ALA N N 13 120.600 120.600 121.361 -0.761 17619 376 1 8 . 1 1 13 13 ALA HA H 13 4.190 4.190 4.038 0.152 17619 377 1 8 . 1 1 13 13 ALA H H 13 8.320 8.320 7.976 0.344 17619 378 1 8 . 1 1 14 14 LEU N N 14 117.100 117.100 119.606 -2.506 17619 379 1 8 . 1 1 14 14 LEU HA H 14 4.370 4.370 2.996 1.374 17619 380 1 8 . 1 1 14 14 LEU H H 14 8.480 8.480 8.793 -0.313 17619 381 1 8 . 1 1 15 15 ALA N N 15 120.900 120.900 119.592 1.308 17619 382 1 8 . 1 1 15 15 ALA HA H 15 4.360 4.360 3.984 0.376 17619 383 1 8 . 1 1 15 15 ALA H H 15 8.560 8.560 7.555 1.005 17619 384 1 8 . 1 1 16 16 LEU N N 16 117.800 117.800 119.479 -1.679 17619 385 1 8 . 1 1 16 16 LEU HA H 16 4.260 4.260 4.086 0.174 17619 386 1 8 . 1 1 16 16 LEU H H 16 8.710 8.710 7.463 1.247 17619 387 1 8 . 1 1 17 17 TRP N N 17 121.300 121.300 117.710 3.590 17619 388 1 8 . 1 1 17 17 TRP HA H 17 4.470 4.470 4.492 -0.022 17619 389 1 8 . 1 1 17 17 TRP H H 17 8.800 8.800 7.998 0.802 17619 390 1 8 . 1 1 18 18 TRP N N 18 120.700 120.700 122.297 -1.597 17619 391 1 8 . 1 1 18 18 TRP HA H 18 4.050 4.050 4.179 -0.129 17619 392 1 8 . 1 1 18 18 TRP H H 18 9.140 9.140 7.083 2.057 17619 393 1 9 . 1 1 2 2 TRP N N 2 119.800 119.800 119.000 0.800 17619 394 1 9 . 1 1 2 2 TRP HA H 2 4.350 4.350 4.639 -0.289 17619 395 1 9 . 1 1 2 2 TRP H H 2 7.900 7.900 6.938 0.962 17619 396 1 9 . 1 1 3 3 TRP N N 3 117.500 117.500 120.128 -2.628 17619 397 1 9 . 1 1 3 3 TRP HA H 3 4.200 4.200 4.579 -0.379 17619 398 1 9 . 1 1 3 3 TRP H H 3 6.790 6.790 7.242 -0.452 17619 399 1 9 . 1 1 4 4 LEU N N 4 120.300 120.300 120.537 -0.237 17619 400 1 9 . 1 1 4 4 LEU HA H 4 4.080 4.080 4.024 0.056 17619 401 1 9 . 1 1 4 4 LEU H H 4 7.350 7.350 8.064 -0.714 17619 402 1 9 . 1 1 5 5 ALA N N 5 117.400 117.400 121.398 -3.998 17619 403 1 9 . 1 1 5 5 ALA HA H 5 4.260 4.260 4.062 0.198 17619 404 1 9 . 1 1 5 5 ALA H H 5 7.820 7.820 7.866 -0.046 17619 405 1 9 . 1 1 6 6 LEU N N 6 114.100 114.100 117.758 -3.658 17619 406 1 9 . 1 1 6 6 LEU HA H 6 4.410 4.410 4.235 0.175 17619 407 1 9 . 1 1 6 6 LEU H H 6 7.780 7.780 8.111 -0.331 17619 408 1 9 . 1 1 7 7 ALA N N 7 119.700 119.700 122.802 -3.102 17619 409 1 9 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.231 0.169 17619 410 1 9 . 1 1 7 7 ALA H H 7 8.090 8.090 8.651 -0.561 17619 411 1 9 . 1 1 8 8 PRO HA H 8 4.140 4.140 4.112 0.028 17619 412 1 9 . 1 1 9 9 ALA N N 9 117.300 117.300 118.359 -1.059 17619 413 1 9 . 1 1 9 9 ALA HA H 9 4.180 4.180 4.203 -0.023 17619 414 1 9 . 1 1 9 9 ALA H H 9 7.250 7.250 8.309 -1.059 17619 415 1 9 . 1 1 10 10 LEU N N 10 117.000 117.000 119.081 -2.081 17619 416 1 9 . 1 1 10 10 LEU HA H 10 4.200 4.200 4.490 -0.290 17619 417 1 9 . 1 1 10 10 LEU H H 10 8.190 8.190 8.128 0.062 17619 418 1 9 . 1 1 11 11 ALA N N 11 119.600 119.600 122.625 -3.025 17619 419 1 9 . 1 1 11 11 ALA HA H 11 4.120 4.120 3.949 0.171 17619 420 1 9 . 1 1 11 11 ALA H H 11 8.230 8.230 7.761 0.469 17619 421 1 9 . 1 1 12 12 LEU N N 12 116.800 116.800 119.805 -3.005 17619 422 1 9 . 1 1 12 12 LEU HA H 12 4.210 4.210 4.024 0.186 17619 423 1 9 . 1 1 12 12 LEU H H 12 8.100 8.100 7.589 0.511 17619 424 1 9 . 1 1 13 13 ALA N N 13 120.600 120.600 121.659 -1.059 17619 425 1 9 . 1 1 13 13 ALA HA H 13 4.190 4.190 4.090 0.100 17619 426 1 9 . 1 1 13 13 ALA H H 13 8.320 8.320 7.704 0.616 17619 427 1 9 . 1 1 14 14 LEU N N 14 117.100 117.100 119.352 -2.252 17619 428 1 9 . 1 1 14 14 LEU HA H 14 4.370 4.370 3.002 1.368 17619 429 1 9 . 1 1 14 14 LEU H H 14 8.480 8.480 8.311 0.169 17619 430 1 9 . 1 1 15 15 ALA N N 15 120.900 120.900 119.803 1.097 17619 431 1 9 . 1 1 15 15 ALA HA H 15 4.360 4.360 4.007 0.353 17619 432 1 9 . 1 1 15 15 ALA H H 15 8.560 8.560 7.468 1.092 17619 433 1 9 . 1 1 16 16 LEU N N 16 117.800 117.800 120.066 -2.266 17619 434 1 9 . 1 1 16 16 LEU HA H 16 4.260 4.260 4.162 0.098 17619 435 1 9 . 1 1 16 16 LEU H H 16 8.710 8.710 7.565 1.145 17619 436 1 9 . 1 1 17 17 TRP N N 17 121.300 121.300 117.501 3.799 17619 437 1 9 . 1 1 17 17 TRP HA H 17 4.470 4.470 4.490 -0.020 17619 438 1 9 . 1 1 17 17 TRP H H 17 8.800 8.800 7.998 0.802 17619 439 1 9 . 1 1 18 18 TRP N N 18 120.700 120.700 122.269 -1.569 17619 440 1 9 . 1 1 18 18 TRP HA H 18 4.050 4.050 4.113 -0.063 17619 441 1 9 . 1 1 18 18 TRP H H 18 9.140 9.140 7.117 2.023 17619 442 1 10 . 1 1 2 2 TRP N N 2 119.800 119.800 118.963 0.837 17619 443 1 10 . 1 1 2 2 TRP HA H 2 4.350 4.350 4.641 -0.291 17619 444 1 10 . 1 1 2 2 TRP H H 2 7.900 7.900 6.931 0.969 17619 445 1 10 . 1 1 3 3 TRP N N 3 117.500 117.500 120.113 -2.613 17619 446 1 10 . 1 1 3 3 TRP HA H 3 4.200 4.200 4.594 -0.394 17619 447 1 10 . 1 1 3 3 TRP H H 3 6.790 6.790 7.250 -0.460 17619 448 1 10 . 1 1 4 4 LEU N N 4 120.300 120.300 120.721 -0.421 17619 449 1 10 . 1 1 4 4 LEU HA H 4 4.080 4.080 4.029 0.051 17619 450 1 10 . 1 1 4 4 LEU H H 4 7.350 7.350 8.096 -0.746 17619 451 1 10 . 1 1 5 5 ALA N N 5 117.400 117.400 121.934 -4.534 17619 452 1 10 . 1 1 5 5 ALA HA H 5 4.260 4.260 4.108 0.152 17619 453 1 10 . 1 1 5 5 ALA H H 5 7.820 7.820 7.801 0.019 17619 454 1 10 . 1 1 6 6 LEU N N 6 114.100 114.100 115.960 -1.860 17619 455 1 10 . 1 1 6 6 LEU HA H 6 4.410 4.410 4.538 -0.128 17619 456 1 10 . 1 1 6 6 LEU H H 6 7.780 7.780 8.155 -0.375 17619 457 1 10 . 1 1 7 7 ALA N N 7 119.700 119.700 123.270 -3.570 17619 458 1 10 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.333 0.067 17619 459 1 10 . 1 1 7 7 ALA H H 7 8.090 8.090 8.662 -0.572 17619 460 1 10 . 1 1 8 8 PRO HA H 8 4.140 4.140 4.136 0.004 17619 461 1 10 . 1 1 9 9 ALA N N 9 117.300 117.300 118.430 -1.130 17619 462 1 10 . 1 1 9 9 ALA HA H 9 4.180 4.180 4.216 -0.036 17619 463 1 10 . 1 1 9 9 ALA H H 9 7.250 7.250 8.460 -1.210 17619 464 1 10 . 1 1 10 10 LEU N N 10 117.000 117.000 119.910 -2.910 17619 465 1 10 . 1 1 10 10 LEU HA H 10 4.200 4.200 4.480 -0.280 17619 466 1 10 . 1 1 10 10 LEU H H 10 8.190 8.190 7.572 0.618 17619 467 1 10 . 1 1 11 11 ALA N N 11 119.600 119.600 122.894 -3.294 17619 468 1 10 . 1 1 11 11 ALA HA H 11 4.120 4.120 3.948 0.172 17619 469 1 10 . 1 1 11 11 ALA H H 11 8.230 8.230 8.111 0.119 17619 470 1 10 . 1 1 12 12 LEU N N 12 116.800 116.800 120.160 -3.360 17619 471 1 10 . 1 1 12 12 LEU HA H 12 4.210 4.210 3.997 0.213 17619 472 1 10 . 1 1 12 12 LEU H H 12 8.100 8.100 7.534 0.566 17619 473 1 10 . 1 1 13 13 ALA N N 13 120.600 120.600 121.565 -0.965 17619 474 1 10 . 1 1 13 13 ALA HA H 13 4.190 4.190 4.087 0.103 17619 475 1 10 . 1 1 13 13 ALA H H 13 8.320 8.320 7.605 0.715 17619 476 1 10 . 1 1 14 14 LEU N N 14 117.100 117.100 119.347 -2.247 17619 477 1 10 . 1 1 14 14 LEU HA H 14 4.370 4.370 2.984 1.386 17619 478 1 10 . 1 1 14 14 LEU H H 14 8.480 8.480 8.263 0.217 17619 479 1 10 . 1 1 15 15 ALA N N 15 120.900 120.900 119.874 1.026 17619 480 1 10 . 1 1 15 15 ALA HA H 15 4.360 4.360 3.995 0.365 17619 481 1 10 . 1 1 15 15 ALA H H 15 8.560 8.560 7.525 1.035 17619 482 1 10 . 1 1 16 16 LEU N N 16 117.800 117.800 120.005 -2.205 17619 483 1 10 . 1 1 16 16 LEU HA H 16 4.260 4.260 4.149 0.111 17619 484 1 10 . 1 1 16 16 LEU H H 16 8.710 8.710 7.344 1.366 17619 485 1 10 . 1 1 17 17 TRP N N 17 121.300 121.300 117.479 3.821 17619 486 1 10 . 1 1 17 17 TRP HA H 17 4.470 4.470 4.482 -0.012 17619 487 1 10 . 1 1 17 17 TRP H H 17 8.800 8.800 8.066 0.734 17619 488 1 10 . 1 1 18 18 TRP N N 18 120.700 120.700 122.243 -1.543 17619 489 1 10 . 1 1 18 18 TRP HA H 18 4.050 4.050 4.169 -0.119 17619 490 1 10 . 1 1 18 18 TRP H H 18 9.140 9.140 7.041 2.099 17619 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 16 2.501 1.531 2.043 17619 2 1 1 "Average Difference" HA 17 0.393 -0.120 0.386 17619 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17619 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 17619 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 17619 6 1 1 "Average Difference" HN 16 0.843 -0.292 0.816 17619 7 1 2 "Average Difference" N 16 2.330 1.374 1.943 17619 8 1 2 "Average Difference" HA 17 0.389 -0.086 0.391 17619 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17619 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 17619 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 17619 12 1 2 "Average Difference" HN 16 0.870 -0.302 0.843 17619 13 1 3 "Average Difference" N 16 2.564 1.468 2.171 17619 14 1 3 "Average Difference" HA 17 0.383 -0.112 0.378 17619 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17619 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 17619 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 17619 18 1 3 "Average Difference" HN 16 0.846 -0.270 0.828 17619 19 1 4 "Average Difference" N 16 2.418 1.424 2.018 17619 20 1 4 "Average Difference" HA 17 0.381 -0.109 0.377 17619 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17619 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 17619 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 17619 24 1 4 "Average Difference" HN 16 0.816 -0.234 0.807 17619 25 1 5 "Average Difference" N 16 2.580 1.467 2.192 17619 26 1 5 "Average Difference" HA 17 0.383 -0.106 0.379 17619 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17619 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 17619 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 17619 30 1 5 "Average Difference" HN 16 0.835 -0.264 0.819 17619 31 1 6 "Average Difference" N 16 2.432 1.358 2.084 17619 32 1 6 "Average Difference" HA 17 0.378 -0.111 0.372 17619 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17619 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 17619 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 17619 36 1 6 "Average Difference" HN 16 0.795 -0.218 0.789 17619 37 1 7 "Average Difference" N 16 2.526 1.519 2.084 17619 38 1 7 "Average Difference" HA 17 0.385 -0.107 0.381 17619 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17619 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 17619 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 17619 42 1 7 "Average Difference" HN 16 0.851 -0.303 0.822 17619 43 1 8 "Average Difference" N 16 2.467 1.477 2.041 17619 44 1 8 "Average Difference" HA 17 0.392 -0.117 0.385 17619 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17619 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 17619 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 17619 48 1 8 "Average Difference" HN 16 0.829 -0.223 0.825 17619 49 1 9 "Average Difference" N 16 2.496 1.515 2.048 17619 50 1 9 "Average Difference" HA 17 0.383 -0.108 0.379 17619 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17619 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 17619 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 17619 54 1 9 "Average Difference" HN 16 0.841 -0.293 0.814 17619 55 1 10 "Average Difference" N 16 2.565 1.560 2.102 17619 56 1 10 "Average Difference" HA 17 0.386 -0.080 0.389 17619 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17619 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 17619 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 17619 60 1 10 "Average Difference" HN 16 0.894 -0.318 0.863 17619 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 17619 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 TRP N N 2 119.800 119.800 118.990 0.810 17619 2 1 . 1 1 2 2 TRP HA H 2 4.350 4.350 4.640 -0.290 17619 3 1 . 1 1 2 2 TRP H H 2 7.900 7.900 6.938 0.962 17619 4 1 . 1 1 3 3 TRP N N 3 117.500 117.500 120.133 -2.633 17619 5 1 . 1 1 3 3 TRP HA H 3 4.200 4.200 4.582 -0.382 17619 6 1 . 1 1 3 3 TRP H H 3 6.790 6.790 7.243 -0.453 17619 7 1 . 1 1 4 4 LEU N N 4 120.300 120.300 120.584 -0.284 17619 8 1 . 1 1 4 4 LEU HA H 4 4.080 4.080 4.023 0.057 17619 9 1 . 1 1 4 4 LEU H H 4 7.350 7.350 8.073 -0.723 17619 10 1 . 1 1 5 5 ALA N N 5 117.400 117.400 121.532 -4.132 17619 11 1 . 1 1 5 5 ALA HA H 5 4.260 4.260 4.070 0.190 17619 12 1 . 1 1 5 5 ALA H H 5 7.820 7.820 7.853 -0.033 17619 13 1 . 1 1 6 6 LEU N N 6 114.100 114.100 117.367 -3.267 17619 14 1 . 1 1 6 6 LEU HA H 6 4.410 4.410 4.290 0.121 17619 15 1 . 1 1 6 6 LEU H H 6 7.780 7.780 8.125 -0.344 17619 16 1 . 1 1 7 7 ALA N N 7 119.700 119.700 122.846 -3.146 17619 17 1 . 1 1 7 7 ALA HA H 7 4.400 4.400 4.258 0.142 17619 18 1 . 1 1 7 7 ALA H H 7 8.090 8.090 8.630 -0.540 17619 19 1 . 1 1 8 8 PRO HA H 8 4.140 4.140 4.113 0.027 17619 20 1 . 1 1 9 9 ALA N N 9 117.300 117.300 118.003 -0.702 17619 21 1 . 1 1 9 9 ALA HA H 9 4.180 4.180 4.214 -0.034 17619 22 1 . 1 1 9 9 ALA H H 9 7.250 7.250 8.286 -1.036 17619 23 1 . 1 1 10 10 LEU N N 10 117.000 117.000 119.316 -2.316 17619 24 1 . 1 1 10 10 LEU HA H 10 4.200 4.200 4.466 -0.266 17619 25 1 . 1 1 10 10 LEU H H 10 8.190 8.190 8.022 0.168 17619 26 1 . 1 1 11 11 ALA N N 11 119.600 119.600 122.806 -3.206 17619 27 1 . 1 1 11 11 ALA HA H 11 4.120 4.120 3.941 0.179 17619 28 1 . 1 1 11 11 ALA H H 11 8.230 8.230 8.139 0.091 17619 29 1 . 1 1 12 12 LEU N N 12 116.800 116.800 119.584 -2.784 17619 30 1 . 1 1 12 12 LEU HA H 12 4.210 4.210 4.001 0.209 17619 31 1 . 1 1 12 12 LEU H H 12 8.100 8.100 7.504 0.596 17619 32 1 . 1 1 13 13 ALA N N 13 120.600 120.600 121.560 -0.960 17619 33 1 . 1 1 13 13 ALA HA H 13 4.190 4.190 4.093 0.097 17619 34 1 . 1 1 13 13 ALA H H 13 8.320 8.320 7.729 0.591 17619 35 1 . 1 1 14 14 LEU N N 14 117.100 117.100 119.451 -2.351 17619 36 1 . 1 1 14 14 LEU HA H 14 4.370 4.370 2.998 1.372 17619 37 1 . 1 1 14 14 LEU H H 14 8.480 8.480 8.441 0.039 17619 38 1 . 1 1 15 15 ALA N N 15 120.900 120.900 119.689 1.211 17619 39 1 . 1 1 15 15 ALA HA H 15 4.360 4.360 3.999 0.361 17619 40 1 . 1 1 15 15 ALA H H 15 8.560 8.560 7.508 1.052 17619 41 1 . 1 1 16 16 LEU N N 16 117.800 117.800 119.652 -1.852 17619 42 1 . 1 1 16 16 LEU HA H 16 4.260 4.260 4.136 0.125 17619 43 1 . 1 1 16 16 LEU H H 16 8.710 8.710 7.519 1.191 17619 44 1 . 1 1 17 17 TRP N N 17 121.300 121.300 117.625 3.675 17619 45 1 . 1 1 17 17 TRP HA H 17 4.470 4.470 4.494 -0.024 17619 46 1 . 1 1 17 17 TRP H H 17 8.800 8.800 8.035 0.765 17619 47 1 . 1 1 18 18 TRP N N 18 120.700 120.700 122.273 -1.573 17619 48 1 . 1 1 18 18 TRP HA H 18 4.050 4.050 4.135 -0.085 17619 49 1 . 1 1 18 18 TRP H H 18 9.140 9.140 7.120 2.020 17619 stop_ save_