NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
633440 |
6bqi   |
30375 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6bqi
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 2570
_Distance_constraint_stats_list.Viol_count 1386
_Distance_constraint_stats_list.Viol_total 755.698
_Distance_constraint_stats_list.Viol_max 1.186
_Distance_constraint_stats_list.Viol_rms 0.0955
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0327
_Distance_constraint_stats_list.Viol_average_violations_only 0.1817
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.078 0.078 3 0 "[ ]"
1 2 ASP 0.305 0.064 3 0 "[ ]"
1 3 ASP 0.571 0.190 3 0 "[ ]"
1 4 ASP 1.103 0.365 3 0 "[ ]"
1 5 HIS 1.597 0.304 1 0 "[ ]"
1 6 GLU 1.574 0.640 3 1 "[ +]"
1 7 GLN 1.207 0.422 1 0 "[ ]"
1 8 LEU 3.218 0.624 3 1 "[ +]"
1 9 VAL 1.807 0.524 1 1 "[+ ]"
1 10 GLU 2.870 0.569 1 1 "[+ ]"
1 11 GLU 1.764 0.572 1 1 "[+ ]"
1 12 LEU 3.781 0.693 1 1 "[+ ]"
1 13 GLU 1.595 0.228 3 0 "[ ]"
1 14 ALA 2.950 0.418 1 0 "[ ]"
1 15 VAL 1.997 0.536 1 1 "[+ ]"
1 16 GLU 1.575 0.350 3 0 "[ ]"
1 17 ALA 1.376 0.372 1 0 "[ ]"
1 18 ILE 2.767 0.468 1 0 "[ ]"
1 19 TYR 7.515 0.698 2 2 "[-+ ]"
1 20 PRO 0.693 0.209 2 0 "[ ]"
1 21 ASP 0.682 0.209 2 0 "[ ]"
1 22 LEU 2.366 0.429 1 0 "[ ]"
1 23 LEU 1.326 0.246 3 0 "[ ]"
1 24 SER 1.705 0.403 2 0 "[ ]"
1 25 LYS 0.595 0.270 2 0 "[ ]"
1 26 LYS 2.869 0.356 2 0 "[ ]"
1 27 GLN 1.799 0.299 1 0 "[ ]"
1 28 GLU 0.889 0.360 1 0 "[ ]"
1 29 ASP 3.241 0.693 1 2 "[+- ]"
1 30 GLY 0.990 0.680 3 1 "[ +]"
1 31 SER 2.743 0.565 2 1 "[ + ]"
1 32 ILE 6.667 0.680 3 2 "[- +]"
1 33 ILE 4.012 0.356 2 0 "[ ]"
1 34 VAL 2.792 0.361 3 0 "[ ]"
1 35 VAL 2.660 0.469 2 0 "[ ]"
1 36 LYS 2.128 0.782 1 2 "[+ -]"
1 37 VAL 3.536 0.465 3 0 "[ ]"
1 39 GLN 0.756 0.508 1 1 "[+ ]"
1 40 HIS 0.625 0.289 2 0 "[ ]"
1 41 GLU 3.399 0.508 1 1 "[+ ]"
1 42 TYR 3.137 0.479 1 0 "[ ]"
1 43 MET 3.700 0.482 3 0 "[ ]"
1 44 THR 2.616 0.479 1 0 "[ ]"
1 45 LEU 5.186 0.782 1 2 "[+ -]"
1 46 GLN 1.647 0.361 3 0 "[ ]"
1 47 ILE 6.561 0.469 2 0 "[ ]"
1 48 SER 2.194 0.514 1 1 "[+ ]"
1 49 PHE 4.704 0.596 3 1 "[ +]"
1 50 PRO 2.038 0.415 3 0 "[ ]"
1 51 THR 0.699 0.276 3 0 "[ ]"
1 52 HIS 0.951 0.292 2 0 "[ ]"
1 53 TYR 3.082 0.415 3 0 "[ ]"
1 54 PRO 0.593 0.178 3 0 "[ ]"
1 55 SER 0.000 0.000 . 0 "[ ]"
1 56 GLU 1.799 0.752 1 2 "[+ -]"
1 57 GLU 2.345 0.466 1 0 "[ ]"
1 58 ALA 5.057 0.752 1 2 "[+ -]"
1 60 ASN 2.526 0.330 2 0 "[ ]"
1 61 VAL 3.553 0.411 2 0 "[ ]"
1 62 ILE 2.363 0.342 1 0 "[ ]"
1 63 GLU 1.906 0.313 3 0 "[ ]"
1 64 VAL 4.894 0.482 3 0 "[ ]"
1 65 GLY 0.888 0.250 2 0 "[ ]"
1 66 VAL 2.277 0.300 3 0 "[ ]"
1 67 CYS 1.115 0.300 3 0 "[ ]"
1 68 THR 0.495 0.165 3 0 "[ ]"
1 69 SER 0.166 0.162 2 0 "[ ]"
1 70 LEU 0.369 0.153 1 0 "[ ]"
1 71 ALA 0.000 0.000 . 0 "[ ]"
1 72 LYS 1.057 0.482 1 0 "[ ]"
1 73 ARG 1.790 0.557 2 1 "[ + ]"
1 74 ASP 0.809 0.148 3 0 "[ ]"
1 75 LEU 1.172 0.242 3 0 "[ ]"
1 76 TYR 2.213 0.271 3 0 "[ ]"
1 77 ASP 0.674 0.232 3 0 "[ ]"
1 78 THR 0.880 0.250 2 0 "[ ]"
1 79 LYS 1.630 0.447 3 0 "[ ]"
1 80 TYR 3.054 0.463 1 0 "[ ]"
1 81 LEU 1.877 0.289 1 0 "[ ]"
1 82 GLN 4.211 0.474 2 0 "[ ]"
1 83 HIS 0.993 0.291 3 0 "[ ]"
1 84 LEU 3.334 0.426 1 0 "[ ]"
1 85 PHE 5.265 0.453 1 0 "[ ]"
1 86 GLN 0.731 0.188 1 0 "[ ]"
1 87 GLU 1.465 0.367 1 0 "[ ]"
1 88 VAL 0.861 0.249 2 0 "[ ]"
1 89 MET 0.458 0.181 1 0 "[ ]"
1 90 ASP 0.314 0.194 2 0 "[ ]"
1 91 SER 1.186 1.186 2 1 "[ + ]"
1 92 VAL 2.022 0.703 1 1 "[+ ]"
1 93 PHE 1.981 0.608 2 1 "[ + ]"
1 94 HIS 2.728 1.186 2 1 "[ + ]"
1 95 ARG 3.256 0.994 3 2 "[ -+]"
1 96 GLY 2.115 0.994 3 1 "[ +]"
1 97 SER 1.617 0.716 2 1 "[ + ]"
1 98 VAL 8.542 0.753 1 2 "[+ -]"
1 99 CYS 2.265 0.350 2 0 "[ ]"
1 100 LEU 2.854 0.586 3 1 "[ +]"
1 101 PHE 9.341 0.753 1 3 [+*-]
1 102 ASP 0.707 0.426 3 0 "[ ]"
1 103 PHE 0.569 0.188 3 0 "[ ]"
1 104 LEU 3.101 0.411 3 0 "[ ]"
1 105 THR 1.057 0.323 3 0 "[ ]"
1 106 GLU 0.706 0.215 1 0 "[ ]"
1 107 LEU 4.701 0.387 3 0 "[ ]"
1 108 ASP 0.649 0.258 3 0 "[ ]"
1 109 GLY 0.000 0.000 . 0 "[ ]"
1 110 VAL 0.449 0.203 2 0 "[ ]"
1 111 LEU 1.533 0.291 1 0 "[ ]"
1 112 TYR 0.000 0.000 . 0 "[ ]"
1 116 GLU 1.013 0.241 3 0 "[ ]"
1 117 GLU 0.895 0.241 3 0 "[ ]"
1 118 GLU 0.757 0.343 1 0 "[ ]"
1 119 THR 0.865 0.343 1 0 "[ ]"
1 120 GLU 0.429 0.336 2 0 "[ ]"
1 121 PRO 0.669 0.336 2 0 "[ ]"
1 122 VAL 0.767 0.232 3 0 "[ ]"
1 125 SER 0.205 0.095 3 0 "[ ]"
1 126 ASP 0.260 0.101 2 0 "[ ]"
1 127 ILE 6.231 0.556 3 2 "[ -+]"
1 128 PRO 2.678 0.465 2 0 "[ ]"
1 129 THR 1.394 0.281 1 0 "[ ]"
1 130 ASP 1.614 0.200 3 0 "[ ]"
1 131 PRO 0.930 0.200 3 0 "[ ]"
1 132 PHE 2.824 0.648 3 2 "[- +]"
1 133 GLU 2.941 0.685 1 1 "[+ ]"
1 134 GLY 5.735 0.885 2 3 [*+-]
1 135 TRP 5.553 0.885 2 3 [*+-]
1 136 THR 3.426 0.461 2 0 "[ ]"
1 137 ALA 3.578 0.904 2 1 "[ + ]"
1 138 SER 2.447 0.535 3 1 "[ +]"
1 139 ASP 1.227 0.429 2 0 "[ ]"
1 140 PRO 2.233 0.265 2 0 "[ ]"
1 141 ILE 5.101 0.632 3 2 "[- +]"
1 142 THR 1.650 0.296 3 0 "[ ]"
1 143 ASP 1.777 0.224 1 0 "[ ]"
1 144 ARG 1.008 0.224 1 0 "[ ]"
1 145 GLY 0.530 0.183 2 0 "[ ]"
1 146 SER 0.645 0.122 1 0 "[ ]"
1 147 THR 1.360 0.332 2 0 "[ ]"
1 148 PHE 3.253 0.441 3 0 "[ ]"
1 149 MET 1.427 0.300 1 0 "[ ]"
1 150 ALA 3.612 0.556 2 1 "[ + ]"
1 151 PHE 6.009 0.535 3 1 "[ +]"
1 152 ALA 2.255 0.474 3 0 "[ ]"
1 153 ALA 1.231 0.484 1 0 "[ ]"
1 154 HIS 1.593 0.345 1 0 "[ ]"
1 155 VAL 3.332 0.453 2 0 "[ ]"
1 156 THR 1.079 0.274 3 0 "[ ]"
1 157 SER 2.402 0.630 2 1 "[ + ]"
1 158 GLU 3.004 0.676 2 3 [*+-]
1 159 GLU 2.618 0.302 2 0 "[ ]"
1 160 GLN 2.967 0.676 2 3 [*+*]
1 161 ALA 0.677 0.261 3 0 "[ ]"
1 162 PHE 3.679 0.641 3 1 "[ +]"
1 163 ALA 1.637 0.364 1 0 "[ ]"
1 164 MET 4.423 0.666 1 2 "[+ -]"
1 165 LEU 2.663 0.480 2 0 "[ ]"
1 166 ASP 0.336 0.133 1 0 "[ ]"
1 167 LEU 2.146 0.636 2 2 "[-+ ]"
1 168 LEU 3.186 0.511 1 1 "[+ ]"
1 169 LYS 0.068 0.067 3 0 "[ ]"
1 170 THR 0.192 0.115 1 0 "[ ]"
1 171 ASP 0.469 0.272 1 0 "[ ]"
1 172 SER 0.218 0.121 3 0 "[ ]"
1 173 LYS 0.718 0.272 1 0 "[ ]"
1 174 MET 0.914 0.285 2 0 "[ ]"
1 175 ARG 2.409 0.660 1 2 "[+ -]"
1 176 LYS 2.982 0.507 1 1 "[+ ]"
1 177 ALA 2.520 0.507 1 1 "[+ ]"
1 178 ASN 0.014 0.014 2 0 "[ ]"
1 179 HIS 0.220 0.119 2 0 "[ ]"
1 180 VAL 1.564 0.245 1 0 "[ ]"
1 181 MET 1.039 0.285 2 0 "[ ]"
1 182 SER 0.842 0.503 1 1 "[+ ]"
1 183 ALA 0.627 0.219 3 0 "[ ]"
1 184 TRP 0.079 0.057 3 0 "[ ]"
1 185 ARG 2.854 0.401 1 0 "[ ]"
1 186 ILE 5.104 0.630 2 1 "[ + ]"
1 187 LYS 4.071 0.658 2 1 "[ + ]"
1 188 GLN 4.690 0.555 2 1 "[ + ]"
1 189 ASP 2.994 0.658 2 1 "[ + ]"
1 190 GLY 0.352 0.256 1 0 "[ ]"
1 191 SER 0.766 0.160 3 0 "[ ]"
1 192 ALA 1.315 0.363 1 0 "[ ]"
1 193 ALA 0.770 0.218 2 0 "[ ]"
1 194 THR 1.880 0.240 2 0 "[ ]"
1 195 TYR 0.505 0.122 2 0 "[ ]"
1 196 GLN 0.373 0.225 1 0 "[ ]"
1 197 ASP 0.000 0.000 . 0 "[ ]"
1 198 SER 0.000 0.000 . 0 "[ ]"
1 199 ASP 0.269 0.269 1 0 "[ ]"
1 200 ASP 0.897 0.202 2 0 "[ ]"
1 201 ASP 1.046 0.269 1 0 "[ ]"
1 202 GLY 0.039 0.039 2 0 "[ ]"
1 203 GLU 0.497 0.180 3 0 "[ ]"
1 204 THR 0.015 0.015 2 0 "[ ]"
1 205 ALA 0.653 0.236 2 0 "[ ]"
1 206 ALA 0.842 0.503 1 1 "[+ ]"
1 207 GLY 0.737 0.236 2 0 "[ ]"
1 208 SER 0.297 0.098 3 0 "[ ]"
1 209 ARG 0.698 0.251 1 0 "[ ]"
1 210 MET 1.126 0.436 1 0 "[ ]"
1 211 LEU 5.760 0.524 1 1 "[+ ]"
1 212 HIS 0.192 0.125 3 0 "[ ]"
1 213 LEU 5.152 0.524 1 1 "[+ ]"
1 214 ILE 2.011 0.354 2 0 "[ ]"
1 215 THR 0.615 0.116 3 0 "[ ]"
1 216 ILE 0.584 0.142 2 0 "[ ]"
1 217 MET 2.177 0.287 2 0 "[ ]"
1 218 ASP 1.129 0.467 2 0 "[ ]"
1 219 VAL 3.888 0.467 2 0 "[ ]"
1 220 TRP 2.973 0.467 2 0 "[ ]"
1 221 ASN 2.149 0.400 2 0 "[ ]"
1 222 VAL 3.066 0.453 2 0 "[ ]"
1 223 ILE 1.716 0.376 3 0 "[ ]"
1 224 VAL 2.243 0.423 2 0 "[ ]"
1 225 VAL 1.209 0.352 1 0 "[ ]"
1 226 VAL 2.243 0.556 2 1 "[ + ]"
1 227 ALA 0.429 0.245 1 0 "[ ]"
1 228 ARG 0.337 0.285 2 0 "[ ]"
1 229 TRP 3.616 0.737 1 3 [+*-]
1 234 HIS 3.814 0.482 1 0 "[ ]"
1 235 ILE 7.113 0.737 1 3 [+*-]
1 238 ASP 0.000 0.000 . 0 "[ ]"
1 239 ARG 3.282 0.556 3 2 "[ -+]"
1 240 PHE 1.379 0.417 1 0 "[ ]"
1 241 LYS 0.747 0.241 1 0 "[ ]"
1 242 HIS 1.966 0.632 3 2 "[- +]"
1 243 ILE 1.918 0.335 3 0 "[ ]"
1 244 ASN 0.303 0.254 3 0 "[ ]"
1 245 SER 1.185 0.254 3 0 "[ ]"
1 246 THR 1.146 0.192 1 0 "[ ]"
1 247 ALA 0.751 0.317 2 0 "[ ]"
1 248 ARG 0.732 0.231 1 0 "[ ]"
1 249 GLU 0.385 0.140 2 0 "[ ]"
1 250 ALA 2.335 0.904 2 1 "[ + ]"
1 251 VAL 2.690 0.474 3 0 "[ ]"
1 252 VAL 1.265 0.287 2 0 "[ ]"
1 253 ARG 0.531 0.118 1 0 "[ ]"
1 254 ALA 1.674 0.461 2 0 "[ ]"
1 255 GLY 0.893 0.230 3 0 "[ ]"
1 256 PHE 1.646 0.285 1 0 "[ ]"
1 257 ASP 2.706 0.397 2 0 "[ ]"
1 258 SER 0.313 0.107 3 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 2 ASP H 2.830 . 2.830 2.505 2.220 2.682 . 0 0 "[ ]" 1
2 1 1 MET QB 1 2 ASP H 3.750 . 3.750 2.305 1.883 2.997 . 0 0 "[ ]" 1
3 1 1 MET QB 1 2 ASP HB2 5.500 . 5.500 5.198 4.846 5.377 . 0 0 "[ ]" 1
4 1 1 MET QG 1 3 ASP H 5.500 . 5.500 5.477 5.392 5.578 0.078 3 0 "[ ]" 1
5 1 2 ASP H 1 2 ASP HB3 3.390 . 3.390 2.923 2.472 3.436 0.046 3 0 "[ ]" 1
6 1 2 ASP H 1 3 ASP H 3.520 . 3.520 3.031 2.701 3.578 0.058 1 0 "[ ]" 1
7 1 2 ASP HA 1 2 ASP HB2 2.720 . 2.720 2.502 2.452 2.544 . 0 0 "[ ]" 1
8 1 2 ASP HA 1 2 ASP HB3 2.960 . 2.960 2.805 2.374 3.023 0.063 1 0 "[ ]" 1
9 1 2 ASP HB2 1 3 ASP H 3.380 . 3.380 3.074 2.581 3.395 0.015 2 0 "[ ]" 1
10 1 2 ASP HB3 1 3 ASP H 3.440 . 3.440 2.373 1.804 3.504 0.064 3 0 "[ ]" 1
11 1 3 ASP H 1 3 ASP QB 3.010 . 3.010 2.550 2.369 2.656 . 0 0 "[ ]" 1
12 1 3 ASP H 1 4 ASP H 4.220 . 4.220 2.172 1.749 2.692 0.051 1 0 "[ ]" 1
13 1 3 ASP H 1 6 GLU QB 5.500 . 5.500 5.253 5.087 5.342 . 0 0 "[ ]" 1
14 1 3 ASP H 1 7 GLN QE 5.500 . 5.500 4.444 3.926 4.737 . 0 0 "[ ]" 1
15 1 3 ASP HA 1 3 ASP QB 2.690 . 2.690 2.390 2.372 2.402 . 0 0 "[ ]" 1
16 1 3 ASP HA 1 6 GLU QB 3.980 . 3.980 3.133 3.018 3.210 . 0 0 "[ ]" 1
17 1 3 ASP HA 1 6 GLU HG2 3.790 . 3.790 2.338 2.299 2.370 . 0 0 "[ ]" 1
18 1 3 ASP HA 1 7 GLN QE 5.500 . 5.500 3.690 3.259 4.074 . 0 0 "[ ]" 1
19 1 3 ASP QB 1 6 GLU H 5.500 . 5.500 4.050 3.728 4.651 . 0 0 "[ ]" 1
20 1 3 ASP QB 1 6 GLU HG2 3.390 . 3.390 3.492 3.419 3.580 0.190 3 0 "[ ]" 1
21 1 3 ASP QB 1 7 GLN QE 4.540 . 4.540 2.306 1.883 2.704 . 0 0 "[ ]" 1
22 1 4 ASP H 1 4 ASP HB2 3.620 . 3.620 3.249 2.635 3.572 . 0 0 "[ ]" 1
23 1 4 ASP H 1 4 ASP HB3 3.230 . 3.230 2.970 2.657 3.522 0.292 3 0 "[ ]" 1
24 1 4 ASP H 1 6 GLU QB 5.250 . 5.250 5.268 5.092 5.615 0.365 3 0 "[ ]" 1
25 1 4 ASP HA 1 7 GLN QE 4.880 . 4.880 2.837 2.299 3.840 . 0 0 "[ ]" 1
26 1 4 ASP HA 1 7 GLN HG2 4.690 . 4.690 2.925 2.796 3.000 . 0 0 "[ ]" 1
27 1 4 ASP HB2 1 5 HIS H 3.430 . 3.430 3.340 2.789 3.622 0.192 2 0 "[ ]" 1
28 1 4 ASP HB2 1 7 GLN HG2 5.150 . 5.150 4.855 4.694 5.174 0.024 3 0 "[ ]" 1
29 1 4 ASP HB3 1 5 HIS H 4.100 . 4.100 4.027 3.927 4.092 . 0 0 "[ ]" 1
30 1 5 HIS H 1 6 GLU H 3.220 . 3.220 2.460 2.407 2.530 . 0 0 "[ ]" 1
31 1 5 HIS H 1 7 GLN H 4.130 . 4.130 4.357 4.276 4.434 0.304 1 0 "[ ]" 1
32 1 5 HIS H 1 7 GLN QE 5.200 . 5.200 4.391 4.187 4.722 . 0 0 "[ ]" 1
33 1 5 HIS H 1 8 LEU H 4.770 . 4.770 4.726 4.667 4.821 0.051 1 0 "[ ]" 1
34 1 5 HIS H 1 8 LEU QD 5.500 . 5.500 5.350 5.326 5.368 . 0 0 "[ ]" 1
35 1 5 HIS HA 1 5 HIS HD2 5.180 . 5.180 3.843 2.857 4.601 . 0 0 "[ ]" 1
36 1 5 HIS HA 1 8 LEU H 3.780 . 3.780 3.496 3.406 3.611 . 0 0 "[ ]" 1
37 1 5 HIS HA 1 8 LEU QB 4.230 . 4.230 2.491 2.393 2.593 . 0 0 "[ ]" 1
38 1 5 HIS HA 1 8 LEU QD . . 3.920 3.449 3.369 3.501 . 0 0 "[ ]" 1
39 1 5 HIS HA 1 9 VAL H 5.500 . 5.500 3.079 2.964 3.278 . 0 0 "[ ]" 1
40 1 5 HIS HA 1 9 VAL HB 4.010 . 4.010 3.855 3.568 4.247 0.237 1 0 "[ ]" 1
41 1 5 HIS HA 1 10 GLU H 5.500 . 5.500 5.586 5.540 5.671 0.171 1 0 "[ ]" 1
42 1 5 HIS QB 1 6 GLU H 4.720 . 4.720 2.898 2.562 3.449 . 0 0 "[ ]" 1
43 1 5 HIS HD1 1 8 LEU QD 4.000 . 6.000 4.555 3.818 5.879 . 0 0 "[ ]" 1
44 1 6 GLU H 1 6 GLU QB 3.300 . 3.300 2.420 2.262 2.510 . 0 0 "[ ]" 1
45 1 6 GLU H 1 6 GLU HG2 3.070 . 3.070 2.199 2.009 2.543 . 0 0 "[ ]" 1
46 1 6 GLU H 1 6 GLU HG3 3.640 . 3.640 3.606 3.489 3.825 0.185 3 0 "[ ]" 1
47 1 6 GLU H 1 7 GLN H 3.160 . 3.160 2.863 2.766 2.957 . 0 0 "[ ]" 1
48 1 6 GLU H 1 7 GLN QE 5.500 . 5.500 3.816 3.532 4.049 . 0 0 "[ ]" 1
49 1 6 GLU H 1 7 GLN HG2 4.600 . 4.600 4.069 3.928 4.182 . 0 0 "[ ]" 1
50 1 6 GLU HA 1 6 GLU HG2 3.010 . 3.010 3.196 2.932 3.650 0.640 3 1 "[ +]" 1
51 1 6 GLU HA 1 9 VAL QG 4.570 . 4.570 2.634 2.143 3.476 . 0 0 "[ ]" 1
52 1 6 GLU QB 1 6 GLU HG2 2.550 . 2.550 2.378 2.361 2.394 . 0 0 "[ ]" 1
53 1 6 GLU QB 1 7 GLN H 3.490 . 3.490 2.552 2.196 3.253 . 0 0 "[ ]" 1
54 1 6 GLU QB 1 7 GLN QE 4.790 . 4.790 3.290 1.977 4.657 . 0 0 "[ ]" 1
55 1 6 GLU HG2 1 7 GLN H 5.500 . 5.500 3.330 1.720 4.166 0.080 3 0 "[ ]" 1
56 1 7 GLN H 1 7 GLN QE 5.300 . 5.300 2.120 1.378 2.667 0.422 1 0 "[ ]" 1
57 1 7 GLN H 1 7 GLN HG2 3.480 . 3.480 2.143 2.114 2.162 . 0 0 "[ ]" 1
58 1 7 GLN H 1 7 GLN HG3 3.690 . 3.690 3.565 3.437 3.667 . 0 0 "[ ]" 1
59 1 7 GLN H 1 10 GLU HB2 5.500 . 5.500 4.815 4.685 4.981 . 0 0 "[ ]" 1
60 1 7 GLN HB3 1 7 GLN QE 4.530 . 4.530 2.386 2.241 2.465 . 0 0 "[ ]" 1
61 1 7 GLN QE 1 8 LEU H 4.920 . 4.920 3.901 3.835 3.977 . 0 0 "[ ]" 1
62 1 7 GLN HG3 1 8 LEU H 4.320 . 4.320 2.701 2.212 3.301 . 0 0 "[ ]" 1
63 1 8 LEU H 1 8 LEU QD 4.170 . 4.170 3.641 3.614 3.672 . 0 0 "[ ]" 1
64 1 8 LEU H 1 9 VAL H 3.120 . 3.120 2.836 2.718 2.915 . 0 0 "[ ]" 1
65 1 8 LEU H 1 9 VAL HA 5.500 . 5.500 5.413 5.370 5.452 . 0 0 "[ ]" 1
66 1 8 LEU H 1 10 GLU H 3.730 . 3.730 3.960 3.918 4.028 0.298 1 0 "[ ]" 1
67 1 8 LEU HA 1 8 LEU QD 3.690 . 3.690 2.120 2.091 2.153 . 0 0 "[ ]" 1
68 1 8 LEU HA 1 11 GLU HG3 4.190 . 4.190 4.043 3.497 4.383 0.193 1 0 "[ ]" 1
69 1 8 LEU HA 1 12 LEU H 5.500 . 5.500 4.352 4.225 4.474 . 0 0 "[ ]" 1
70 1 8 LEU HA 1 12 LEU MD2 4.190 . 4.190 4.008 3.948 4.054 . 0 0 "[ ]" 1
71 1 8 LEU QB 1 9 VAL H 5.230 . 5.230 2.205 2.091 2.373 . 0 0 "[ ]" 1
72 1 8 LEU QD 1 9 VAL H . . 4.310 3.702 3.588 3.852 . 0 0 "[ ]" 1
73 1 8 LEU QD 1 9 VAL HA 4.880 . 4.880 4.241 4.153 4.384 . 0 0 "[ ]" 1
74 1 8 LEU QD 1 10 GLU H 5.500 . 5.500 5.050 4.966 5.210 . 0 0 "[ ]" 1
75 1 8 LEU QD 1 11 GLU H 4.650 . 4.650 4.457 4.280 4.625 . 0 0 "[ ]" 1
76 1 8 LEU QD 1 11 GLU HB2 5.210 . 5.210 3.933 3.317 4.252 . 0 0 "[ ]" 1
77 1 8 LEU QD 1 12 LEU H 4.510 . 4.510 4.186 4.017 4.278 . 0 0 "[ ]" 1
78 1 8 LEU QD 1 12 LEU MD1 3.850 . 3.850 3.114 2.851 3.419 . 0 0 "[ ]" 1
79 1 8 LEU QD 1 12 LEU MD2 3.190 . 3.190 2.655 2.554 2.803 . 0 0 "[ ]" 1
80 1 8 LEU QD 1 31 SER HA 3.990 . 3.990 3.703 3.454 3.964 . 0 0 "[ ]" 1
81 1 8 LEU QD 1 31 SER HB2 5.100 . 5.100 4.994 4.823 5.286 0.186 2 0 "[ ]" 1
82 1 8 LEU QD 1 49 PHE H 4.000 . 6.000 5.591 5.152 5.851 . 0 0 "[ ]" 1
83 1 8 LEU QD 1 49 PHE QD 4.000 . 6.000 2.036 1.994 2.080 . 0 0 "[ ]" 1
84 1 8 LEU QD 1 53 TYR H 5.500 . 5.500 4.753 4.647 4.912 . 0 0 "[ ]" 1
85 1 8 LEU QD 1 53 TYR HB2 4.910 . 4.910 2.393 2.273 2.578 . 0 0 "[ ]" 1
86 1 8 LEU QD 1 53 TYR HB3 . . 3.360 2.558 2.397 2.696 . 0 0 "[ ]" 1
87 1 8 LEU QD 1 53 TYR QE . . 5.220 4.382 4.226 4.555 . 0 0 "[ ]" 1
88 1 8 LEU QD 1 98 VAL HA 4.000 . 6.000 6.030 5.959 6.116 0.116 2 0 "[ ]" 1
89 1 8 LEU QD 1 98 VAL HB 4.970 . 4.970 5.436 5.347 5.594 0.624 3 1 "[ +]" 1
90 1 8 LEU QD 1 98 VAL QG 4.210 . 4.210 3.685 3.642 3.759 . 0 0 "[ ]" 1
91 1 8 LEU HG 1 9 VAL H 5.500 . 5.500 3.519 3.337 3.742 . 0 0 "[ ]" 1
92 1 8 LEU HG 1 49 PHE QB 5.300 . 5.300 5.344 4.922 5.555 0.255 1 0 "[ ]" 1
93 1 9 VAL H 1 9 VAL HB 3.550 . 3.550 2.261 2.240 2.286 . 0 0 "[ ]" 1
94 1 9 VAL H 1 9 VAL QG 3.570 . 3.570 2.616 2.591 2.634 . 0 0 "[ ]" 1
95 1 9 VAL H 1 10 GLU H 3.750 . 3.750 2.763 2.602 2.860 . 0 0 "[ ]" 1
96 1 9 VAL H 1 10 GLU HA 5.500 . 5.500 5.368 5.261 5.425 . 0 0 "[ ]" 1
97 1 9 VAL H 1 10 GLU HB2 5.350 . 5.350 4.753 4.524 4.901 . 0 0 "[ ]" 1
98 1 9 VAL HA 1 9 VAL QG 3.290 . 3.290 2.164 2.098 2.203 . 0 0 "[ ]" 1
99 1 9 VAL HA 1 12 LEU H 4.470 . 4.470 3.387 3.321 3.455 . 0 0 "[ ]" 1
100 1 9 VAL HA 1 12 LEU MD1 3.160 . 3.160 2.311 2.158 2.493 . 0 0 "[ ]" 1
101 1 9 VAL HA 1 12 LEU MD2 5.440 . 5.440 3.721 3.720 3.723 . 0 0 "[ ]" 1
102 1 9 VAL HA 1 13 GLU H 4.090 . 4.090 4.222 4.206 4.238 0.148 1 0 "[ ]" 1
103 1 9 VAL HA 1 13 GLU HG3 4.210 . 4.210 4.408 4.377 4.438 0.228 3 0 "[ ]" 1
104 1 9 VAL HB 1 10 GLU H 5.500 . 5.500 3.472 2.748 3.840 . 0 0 "[ ]" 1
105 1 9 VAL QG 1 10 GLU H 3.750 . 3.750 2.296 2.025 2.814 . 0 0 "[ ]" 1
106 1 9 VAL QG 1 10 GLU HA 3.560 . 3.560 2.991 2.972 3.016 . 0 0 "[ ]" 1
107 1 9 VAL QG 1 10 GLU HB2 3.680 . 3.680 3.795 3.566 4.204 0.524 1 1 "[+ ]" 1
108 1 9 VAL QG 1 10 GLU HB3 4.690 . 4.690 4.518 4.381 4.745 0.055 1 0 "[ ]" 1
109 1 9 VAL QG 1 10 GLU QG 3.520 . 3.520 2.591 2.385 2.812 . 0 0 "[ ]" 1
110 1 9 VAL QG 1 13 GLU HG2 4.080 . 4.080 3.893 3.821 4.005 . 0 0 "[ ]" 1
111 1 9 VAL QG 1 13 GLU HG3 3.320 . 3.320 2.876 2.772 2.970 . 0 0 "[ ]" 1
112 1 10 GLU H 1 10 GLU HB2 3.060 . 3.060 2.251 2.215 2.310 . 0 0 "[ ]" 1
113 1 10 GLU H 1 10 GLU QG 3.510 . 3.510 2.663 2.597 2.783 . 0 0 "[ ]" 1
114 1 10 GLU H 1 11 GLU H 3.190 . 3.190 2.638 2.491 2.837 . 0 0 "[ ]" 1
115 1 10 GLU H 1 12 LEU H 4.130 . 4.130 4.010 3.899 4.116 . 0 0 "[ ]" 1
116 1 10 GLU H 1 12 LEU MD1 5.450 . 5.450 5.128 4.917 5.368 . 0 0 "[ ]" 1
117 1 10 GLU H 1 12 LEU MD2 4.830 . 4.830 5.278 5.129 5.399 0.569 1 1 "[+ ]" 1
118 1 10 GLU HA 1 10 GLU QG 2.930 . 2.930 2.271 2.255 2.296 . 0 0 "[ ]" 1
119 1 10 GLU HA 1 13 GLU H 5.500 . 5.500 3.407 3.377 3.431 . 0 0 "[ ]" 1
120 1 10 GLU HA 1 14 ALA H 5.500 . 5.500 4.299 4.031 4.448 . 0 0 "[ ]" 1
121 1 10 GLU HB2 1 11 GLU H 5.080 . 5.080 2.657 2.450 2.865 . 0 0 "[ ]" 1
122 1 10 GLU QG 1 11 GLU H 5.110 . 5.110 4.232 4.197 4.263 . 0 0 "[ ]" 1
123 1 11 GLU H 1 11 GLU HB2 4.150 . 4.150 2.888 2.657 3.026 . 0 0 "[ ]" 1
124 1 11 GLU H 1 11 GLU HG3 3.470 . 3.470 3.702 3.172 4.042 0.572 1 1 "[+ ]" 1
125 1 11 GLU H 1 12 LEU H 3.370 . 3.370 2.696 2.565 2.825 . 0 0 "[ ]" 1
126 1 11 GLU H 1 12 LEU HA 5.500 . 5.500 5.295 5.197 5.402 . 0 0 "[ ]" 1
127 1 11 GLU H 1 12 LEU MD2 4.000 . 4.000 4.173 4.097 4.235 0.235 2 0 "[ ]" 1
128 1 11 GLU HA 1 13 GLU H 4.630 . 4.630 4.551 4.438 4.618 . 0 0 "[ ]" 1
129 1 11 GLU HA 1 14 ALA H 5.500 . 5.500 3.374 3.201 3.495 . 0 0 "[ ]" 1
130 1 11 GLU HA 1 14 ALA MB 3.720 . 3.720 2.682 2.634 2.728 . 0 0 "[ ]" 1
131 1 11 GLU HA 1 98 VAL QG 3.970 . 3.970 3.517 3.349 3.805 . 0 0 "[ ]" 1
132 1 11 GLU HB2 1 12 LEU H 4.860 . 4.860 3.669 2.723 4.166 . 0 0 "[ ]" 1
133 1 11 GLU HB2 1 12 LEU MD2 5.010 . 5.010 3.899 2.618 4.603 . 0 0 "[ ]" 1
134 1 11 GLU HB2 1 98 VAL QG 5.380 . 5.380 2.324 1.980 2.947 . 0 0 "[ ]" 1
135 1 11 GLU HB2 1 100 LEU QD . . 4.380 4.129 4.118 4.149 . 0 0 "[ ]" 1
136 1 11 GLU HG2 1 98 VAL QG 4.510 . 4.510 2.580 2.275 3.176 . 0 0 "[ ]" 1
137 1 11 GLU HG2 1 100 LEU QD 5.060 . 5.060 4.337 3.835 4.944 . 0 0 "[ ]" 1
138 1 11 GLU HG3 1 98 VAL HB 5.310 . 5.310 4.656 4.414 4.928 . 0 0 "[ ]" 1
139 1 11 GLU HG3 1 98 VAL QG 4.970 . 4.970 3.046 1.998 3.580 . 0 0 "[ ]" 1
140 1 12 LEU H 1 12 LEU MD1 4.020 . 4.020 3.604 3.587 3.635 . 0 0 "[ ]" 1
141 1 12 LEU H 1 12 LEU MD2 4.130 . 4.130 2.253 2.218 2.289 . 0 0 "[ ]" 1
142 1 12 LEU H 1 13 GLU H 3.190 . 3.190 2.812 2.793 2.833 . 0 0 "[ ]" 1
143 1 12 LEU H 1 13 GLU HG3 4.750 . 4.750 4.498 4.441 4.563 . 0 0 "[ ]" 1
144 1 12 LEU HA 1 12 LEU MD2 3.610 . 3.610 2.123 2.101 2.152 . 0 0 "[ ]" 1
145 1 12 LEU HA 1 14 ALA MB 5.500 . 5.500 4.900 4.801 5.064 . 0 0 "[ ]" 1
146 1 12 LEU HB2 1 12 LEU MD1 3.620 . 3.620 2.447 2.385 2.529 . 0 0 "[ ]" 1
147 1 12 LEU HB3 1 12 LEU MD1 3.640 . 3.640 2.356 2.350 2.369 . 0 0 "[ ]" 1
148 1 12 LEU HB3 1 13 GLU H 4.630 . 4.630 3.644 3.601 3.669 . 0 0 "[ ]" 1
149 1 12 LEU HB3 1 14 ALA H 5.500 . 5.500 5.674 5.589 5.809 0.309 1 0 "[ ]" 1
150 1 12 LEU MD1 1 13 GLU H 4.720 . 4.720 4.340 4.288 4.371 . 0 0 "[ ]" 1
151 1 12 LEU MD1 1 13 GLU HG3 5.500 . 5.500 4.735 4.655 4.855 . 0 0 "[ ]" 1
152 1 12 LEU MD1 1 29 ASP HB2 5.170 . 5.170 5.524 5.293 5.863 0.693 1 1 "[+ ]" 1
153 1 12 LEU MD1 1 30 GLY HA2 4.650 . 4.650 3.414 2.868 3.710 . 0 0 "[ ]" 1
154 1 12 LEU MD1 1 30 GLY HA3 4.970 . 4.970 2.362 2.079 2.511 . 0 0 "[ ]" 1
155 1 12 LEU MD1 1 31 SER H 5.000 . 5.000 4.316 4.007 4.870 . 0 0 "[ ]" 1
156 1 12 LEU MD2 1 31 SER H 5.500 . 5.500 5.521 5.229 5.674 0.174 3 0 "[ ]" 1
157 1 13 GLU H 1 13 GLU HB2 3.050 . 3.050 2.490 2.449 2.519 . 0 0 "[ ]" 1
158 1 13 GLU H 1 13 GLU HG2 3.240 . 3.240 3.346 3.279 3.426 0.186 2 0 "[ ]" 1
159 1 13 GLU H 1 13 GLU HG3 3.110 . 3.110 2.097 2.043 2.177 . 0 0 "[ ]" 1
160 1 13 GLU H 1 15 VAL MG1 5.500 . 5.500 4.681 4.599 4.798 . 0 0 "[ ]" 1
161 1 13 GLU H 1 16 GLU HB3 5.500 . 5.500 4.351 4.223 4.527 . 0 0 "[ ]" 1
162 1 13 GLU H 1 16 GLU QG 5.500 . 5.500 5.595 5.567 5.619 0.119 3 0 "[ ]" 1
163 1 13 GLU HA 1 13 GLU HG2 2.840 . 2.840 2.413 2.405 2.419 . 0 0 "[ ]" 1
164 1 13 GLU HA 1 16 GLU HB3 2.850 . 2.850 2.240 2.209 2.261 . 0 0 "[ ]" 1
165 1 13 GLU HB2 1 13 GLU HG3 2.590 . 2.590 2.485 2.478 2.488 . 0 0 "[ ]" 1
166 1 13 GLU HB2 1 14 ALA H 3.610 . 3.610 2.580 2.431 2.744 . 0 0 "[ ]" 1
167 1 13 GLU HG3 1 14 ALA H 4.960 . 4.960 4.317 4.222 4.445 . 0 0 "[ ]" 1
168 1 14 ALA H 1 14 ALA MB 2.750 . 2.750 2.228 2.204 2.242 . 0 0 "[ ]" 1
169 1 14 ALA H 1 15 VAL H 3.350 . 3.350 2.770 2.681 2.824 . 0 0 "[ ]" 1
170 1 14 ALA H 1 15 VAL MG1 4.760 . 4.760 4.454 4.370 4.528 . 0 0 "[ ]" 1
171 1 14 ALA H 1 16 GLU H 4.080 . 4.080 3.819 3.792 3.866 . 0 0 "[ ]" 1
172 1 14 ALA H 1 16 GLU HB3 4.470 . 4.470 4.691 4.565 4.820 0.350 3 0 "[ ]" 1
173 1 14 ALA H 1 100 LEU QD 4.790 . 4.790 4.874 4.729 5.038 0.248 3 0 "[ ]" 1
174 1 14 ALA HA 1 17 ALA H 3.750 . 3.750 3.383 3.313 3.485 . 0 0 "[ ]" 1
175 1 14 ALA MB 1 15 VAL H 3.290 . 3.290 2.301 2.064 2.430 . 0 0 "[ ]" 1
176 1 14 ALA MB 1 16 GLU H 5.500 . 5.500 4.235 4.184 4.261 . 0 0 "[ ]" 1
177 1 14 ALA MB 1 17 ALA MB 3.540 . 3.540 3.827 3.719 3.912 0.372 1 0 "[ ]" 1
178 1 14 ALA MB 1 18 ILE MD 4.190 . 4.190 2.721 2.665 2.769 . 0 0 "[ ]" 1
179 1 14 ALA MB 1 18 ILE MG 5.500 . 5.500 5.351 5.298 5.390 . 0 0 "[ ]" 1
180 1 14 ALA MB 1 100 LEU QD 3.550 . 3.550 2.866 2.537 3.212 . 0 0 "[ ]" 1
181 1 14 ALA MB 1 101 PHE QE 3.550 . 3.550 3.734 3.510 3.968 0.418 1 0 "[ ]" 1
182 1 15 VAL H 1 15 VAL HB 3.630 . 3.630 2.317 2.289 2.339 . 0 0 "[ ]" 1
183 1 15 VAL H 1 16 GLU H 3.510 . 3.510 2.503 2.413 2.677 . 0 0 "[ ]" 1
184 1 15 VAL H 1 16 GLU HB2 5.500 . 5.500 4.697 4.484 4.887 . 0 0 "[ ]" 1
185 1 15 VAL H 1 17 ALA H 4.440 . 4.440 3.796 3.758 3.856 . 0 0 "[ ]" 1
186 1 15 VAL H 1 18 ILE H 5.030 . 5.030 4.779 4.703 4.861 . 0 0 "[ ]" 1
187 1 15 VAL H 1 18 ILE HB 5.500 . 5.500 5.393 5.352 5.434 . 0 0 "[ ]" 1
188 1 15 VAL H 1 18 ILE MD 4.730 . 4.730 3.938 3.635 4.198 . 0 0 "[ ]" 1
189 1 15 VAL H 1 19 TYR QE 5.500 . 5.500 5.705 5.700 5.712 0.212 3 0 "[ ]" 1
190 1 15 VAL H 1 100 LEU QD 3.730 . 3.730 3.348 3.161 3.527 . 0 0 "[ ]" 1
191 1 15 VAL HA 1 18 ILE H 3.730 . 3.730 3.580 3.430 3.711 . 0 0 "[ ]" 1
192 1 15 VAL HA 1 18 ILE MD 4.210 . 4.210 2.473 2.254 2.741 . 0 0 "[ ]" 1
193 1 15 VAL HA 1 18 ILE MG 4.560 . 4.560 4.368 4.319 4.409 . 0 0 "[ ]" 1
194 1 15 VAL HA 1 19 TYR QD 3.460 . 3.460 2.550 2.479 2.645 . 0 0 "[ ]" 1
195 1 15 VAL HA 1 19 TYR QE 4.860 . 4.860 3.010 2.989 3.049 . 0 0 "[ ]" 1
196 1 15 VAL HA 1 100 LEU QD 3.430 . 3.430 3.095 3.008 3.207 . 0 0 "[ ]" 1
197 1 15 VAL HB 1 16 GLU H 4.050 . 4.050 3.764 3.751 3.771 . 0 0 "[ ]" 1
198 1 15 VAL MG1 1 16 GLU H 3.620 . 3.620 2.161 2.032 2.231 . 0 0 "[ ]" 1
199 1 15 VAL MG1 1 16 GLU HB2 5.500 . 5.500 2.961 2.921 3.025 . 0 0 "[ ]" 1
200 1 15 VAL MG1 1 19 TYR H 5.130 . 5.130 4.736 4.680 4.789 . 0 0 "[ ]" 1
201 1 15 VAL MG1 1 19 TYR QD 3.320 . 3.320 3.781 3.742 3.856 0.536 1 1 "[+ ]" 1
202 1 15 VAL MG1 1 19 TYR QE 5.260 . 5.260 5.039 5.013 5.086 . 0 0 "[ ]" 1
203 1 16 GLU H 1 16 GLU HB3 3.300 . 3.300 2.399 2.326 2.492 . 0 0 "[ ]" 1
204 1 16 GLU H 1 16 GLU QG 3.740 . 3.740 3.907 3.881 3.955 0.215 1 0 "[ ]" 1
205 1 16 GLU H 1 17 ALA H 3.610 . 3.610 2.411 2.375 2.462 . 0 0 "[ ]" 1
206 1 16 GLU H 1 17 ALA MB 5.500 . 5.500 4.093 4.044 4.143 . 0 0 "[ ]" 1
207 1 16 GLU H 1 18 ILE H 4.400 . 4.400 4.282 4.217 4.370 . 0 0 "[ ]" 1
208 1 16 GLU H 1 18 ILE HB 5.500 . 5.500 5.476 5.460 5.497 . 0 0 "[ ]" 1
209 1 16 GLU H 1 18 ILE MD 5.020 . 5.020 4.958 4.804 5.146 0.126 1 0 "[ ]" 1
210 1 16 GLU H 1 19 TYR H 4.880 . 4.880 4.638 4.595 4.666 . 0 0 "[ ]" 1
211 1 16 GLU HA 1 16 GLU QG 2.890 . 2.890 2.324 2.273 2.369 . 0 0 "[ ]" 1
212 1 16 GLU HB2 1 17 ALA H 5.500 . 5.500 3.982 3.903 4.084 . 0 0 "[ ]" 1
213 1 16 GLU HB3 1 18 ILE H 5.500 . 5.500 5.327 5.207 5.454 . 0 0 "[ ]" 1
214 1 16 GLU QG 1 20 PRO HA 4.310 . 4.310 3.219 3.136 3.364 . 0 0 "[ ]" 1
215 1 17 ALA H 1 17 ALA MB 2.720 . 2.720 2.197 2.177 2.221 . 0 0 "[ ]" 1
216 1 17 ALA H 1 18 ILE H 3.640 . 3.640 2.500 2.485 2.517 . 0 0 "[ ]" 1
217 1 17 ALA H 1 18 ILE HB 5.500 . 5.500 4.590 4.492 4.662 . 0 0 "[ ]" 1
218 1 17 ALA H 1 18 ILE MD 5.270 . 5.270 4.433 4.302 4.549 . 0 0 "[ ]" 1
219 1 17 ALA H 1 19 TYR H 4.250 . 4.250 3.679 3.615 3.769 . 0 0 "[ ]" 1
220 1 17 ALA MB 1 18 ILE H 3.910 . 3.910 2.303 2.199 2.449 . 0 0 "[ ]" 1
221 1 17 ALA MB 1 18 ILE MD 3.820 . 3.820 3.837 3.785 3.874 0.054 1 0 "[ ]" 1
222 1 17 ALA MB 1 18 ILE HG13 3.580 . 3.580 2.792 2.766 2.823 . 0 0 "[ ]" 1
223 1 17 ALA MB 1 18 ILE MG 4.600 . 4.600 4.742 4.725 4.754 0.154 2 0 "[ ]" 1
224 1 18 ILE H 1 18 ILE HB 3.190 . 3.190 2.520 2.504 2.549 . 0 0 "[ ]" 1
225 1 18 ILE H 1 18 ILE MD 4.710 . 4.710 3.074 2.996 3.147 . 0 0 "[ ]" 1
226 1 18 ILE H 1 18 ILE HG12 3.610 . 3.610 3.423 3.320 3.517 . 0 0 "[ ]" 1
227 1 18 ILE H 1 18 ILE HG13 3.630 . 3.630 1.936 1.857 2.019 . 0 0 "[ ]" 1
228 1 18 ILE H 1 19 TYR H 3.340 . 3.340 2.610 2.519 2.691 . 0 0 "[ ]" 1
229 1 18 ILE HA 1 18 ILE HG12 3.560 . 3.560 2.798 2.695 2.864 . 0 0 "[ ]" 1
230 1 18 ILE HA 1 18 ILE HG13 3.600 . 3.600 2.839 2.819 2.870 . 0 0 "[ ]" 1
231 1 18 ILE HA 1 18 ILE MG 2.960 . 2.960 2.337 2.317 2.375 . 0 0 "[ ]" 1
232 1 18 ILE HA 1 19 TYR QD 5.140 . 5.140 4.849 4.840 4.859 . 0 0 "[ ]" 1
233 1 18 ILE HB 1 18 ILE MD 3.140 . 3.140 2.215 2.191 2.234 . 0 0 "[ ]" 1
234 1 18 ILE HB 1 19 TYR H 3.610 . 3.610 2.708 2.683 2.737 . 0 0 "[ ]" 1
235 1 18 ILE HB 1 19 TYR QD 3.890 . 3.890 2.646 2.630 2.676 . 0 0 "[ ]" 1
236 1 18 ILE HB 1 19 TYR QE 4.850 . 4.850 2.610 2.600 2.624 . 0 0 "[ ]" 1
237 1 18 ILE HB 1 100 LEU QD 5.500 . 5.500 4.833 4.628 5.081 . 0 0 "[ ]" 1
238 1 18 ILE MD 1 18 ILE MG 2.970 . 2.970 2.132 1.985 2.232 . 0 0 "[ ]" 1
239 1 18 ILE MD 1 19 TYR H 4.310 . 4.310 4.264 4.226 4.322 0.012 1 0 "[ ]" 1
240 1 18 ILE MD 1 19 TYR QD 3.600 . 3.600 3.687 3.636 3.758 0.158 1 0 "[ ]" 1
241 1 18 ILE MD 1 19 TYR QE 4.270 . 4.270 2.629 2.583 2.686 . 0 0 "[ ]" 1
242 1 18 ILE MD 1 100 LEU QD 3.030 . 3.030 3.103 2.838 3.445 0.415 3 0 "[ ]" 1
243 1 18 ILE MD 1 101 PHE QD 4.340 . 4.340 3.504 3.353 3.593 . 0 0 "[ ]" 1
244 1 18 ILE MD 1 101 PHE QE 3.740 . 3.740 2.010 2.001 2.025 . 0 0 "[ ]" 1
245 1 18 ILE HG12 1 18 ILE MG 3.670 . 3.670 2.218 2.210 2.224 . 0 0 "[ ]" 1
246 1 18 ILE HG13 1 18 ILE MG 3.660 . 3.660 3.153 3.147 3.163 . 0 0 "[ ]" 1
247 1 18 ILE HG13 1 19 TYR H 4.380 . 4.380 4.171 4.159 4.186 . 0 0 "[ ]" 1
248 1 18 ILE HG13 1 19 TYR QE 4.480 . 4.480 4.718 4.686 4.755 0.275 2 0 "[ ]" 1
249 1 18 ILE MG 1 19 TYR H 3.780 . 3.780 3.661 3.626 3.683 . 0 0 "[ ]" 1
250 1 18 ILE MG 1 19 TYR HB2 5.500 . 5.500 4.783 4.749 4.813 . 0 0 "[ ]" 1
251 1 18 ILE MG 1 19 TYR QD 3.660 . 3.660 3.190 3.172 3.205 . 0 0 "[ ]" 1
252 1 18 ILE MG 1 19 TYR QE 3.770 . 3.770 2.569 2.544 2.584 . 0 0 "[ ]" 1
253 1 18 ILE MG 1 20 PRO QD 5.480 . 5.480 4.372 4.333 4.402 . 0 0 "[ ]" 1
254 1 18 ILE MG 1 101 PHE QD 4.540 . 4.540 4.782 4.615 5.008 0.468 1 0 "[ ]" 1
255 1 18 ILE MG 1 101 PHE QE 4.450 . 4.450 3.859 3.487 4.218 . 0 0 "[ ]" 1
256 1 19 TYR H 1 19 TYR QD 5.220 . 5.220 2.716 2.637 2.777 . 0 0 "[ ]" 1
257 1 19 TYR H 1 19 TYR QE 5.410 . 5.410 4.409 4.357 4.476 . 0 0 "[ ]" 1
258 1 19 TYR H 1 20 PRO QD 4.480 . 4.480 2.938 2.800 3.045 . 0 0 "[ ]" 1
259 1 19 TYR HB2 1 21 ASP H 5.500 . 5.500 5.150 5.036 5.248 . 0 0 "[ ]" 1
260 1 19 TYR HB2 1 22 LEU QB 2.930 . 2.930 3.299 3.219 3.359 0.429 1 0 "[ ]" 1
261 1 19 TYR HB2 1 22 LEU MD2 3.930 . 3.930 3.824 3.603 3.991 0.061 2 0 "[ ]" 1
262 1 19 TYR HB3 1 22 LEU MD2 3.950 . 3.950 2.839 2.776 2.880 . 0 0 "[ ]" 1
263 1 19 TYR HB3 1 22 LEU HG 4.870 . 4.870 4.438 4.152 4.608 . 0 0 "[ ]" 1
264 1 19 TYR QD 1 20 PRO QD 4.380 . 4.380 4.382 4.376 4.391 0.011 1 0 "[ ]" 1
265 1 19 TYR QD 1 22 LEU MD2 4.720 . 4.720 3.193 3.140 3.297 . 0 0 "[ ]" 1
266 1 19 TYR QD 1 104 LEU MD2 5.460 . 5.460 4.265 4.101 4.520 . 0 0 "[ ]" 1
267 1 19 TYR QE 1 22 LEU MD2 4.210 . 4.210 4.523 4.459 4.561 0.351 3 0 "[ ]" 1
268 1 19 TYR QE 1 23 LEU QD 4.730 . 4.730 4.915 4.806 4.976 0.246 3 0 "[ ]" 1
269 1 19 TYR QE 1 101 PHE QD 4.240 . 4.240 4.733 4.568 4.938 0.698 2 1 "[ + ]" 1
270 1 19 TYR QE 1 101 PHE QE 4.400 . 4.400 4.523 4.387 4.661 0.261 3 0 "[ ]" 1
271 1 19 TYR QE 1 104 LEU MD2 4.740 . 4.740 2.555 2.404 2.758 . 0 0 "[ ]" 1
272 1 20 PRO HA 1 22 LEU H 4.380 . 4.380 4.047 3.994 4.095 . 0 0 "[ ]" 1
273 1 20 PRO HA 1 23 LEU H 4.890 . 4.890 4.045 3.917 4.174 . 0 0 "[ ]" 1
274 1 20 PRO HB2 1 21 ASP H 3.540 . 3.540 3.579 3.517 3.683 0.143 2 0 "[ ]" 1
275 1 20 PRO HB3 1 21 ASP H 4.100 . 4.100 4.280 4.234 4.309 0.209 2 0 "[ ]" 1
276 1 20 PRO QD 1 21 ASP H 4.880 . 4.880 2.103 1.970 2.294 . 0 0 "[ ]" 1
277 1 20 PRO HG2 1 21 ASP H 3.900 . 3.900 2.955 2.870 3.097 . 0 0 "[ ]" 1
278 1 21 ASP H 1 21 ASP QB 3.810 . 3.810 2.484 2.357 2.706 . 0 0 "[ ]" 1
279 1 21 ASP H 1 22 LEU H 3.050 . 3.050 2.177 2.127 2.223 . 0 0 "[ ]" 1
280 1 21 ASP H 1 23 LEU H 4.760 . 4.760 3.915 3.893 3.943 . 0 0 "[ ]" 1
281 1 22 LEU H 1 22 LEU MD2 4.350 . 4.350 4.344 4.309 4.372 0.022 1 0 "[ ]" 1
282 1 22 LEU H 1 23 LEU H 3.450 . 3.450 2.111 2.035 2.182 . 0 0 "[ ]" 1
283 1 22 LEU H 1 23 LEU HB2 5.000 . 5.000 4.429 4.297 4.578 . 0 0 "[ ]" 1
284 1 22 LEU H 1 23 LEU HB3 4.990 . 4.990 4.486 4.456 4.524 . 0 0 "[ ]" 1
285 1 22 LEU HA 1 22 LEU MD1 3.340 . 3.340 2.275 2.189 2.374 . 0 0 "[ ]" 1
286 1 22 LEU HA 1 36 LYS H 5.500 . 5.500 4.369 3.590 5.247 . 0 0 "[ ]" 1
287 1 22 LEU MD1 1 23 LEU H 5.500 . 5.500 4.651 4.384 4.804 . 0 0 "[ ]" 1
288 1 22 LEU MD1 1 36 LYS H 5.000 . 5.000 3.670 3.341 4.087 . 0 0 "[ ]" 1
289 1 22 LEU MD1 1 36 LYS QB 3.840 . 3.840 2.502 2.415 2.637 . 0 0 "[ ]" 1
290 1 22 LEU MD2 1 23 LEU H 3.920 . 3.920 3.999 3.945 4.049 0.129 2 0 "[ ]" 1
291 1 22 LEU MD2 1 23 LEU HB2 5.140 . 5.140 4.171 3.833 4.767 . 0 0 "[ ]" 1
292 1 22 LEU MD2 1 35 VAL MG2 3.130 . 3.130 2.432 1.995 2.873 . 0 0 "[ ]" 1
293 1 22 LEU HG 1 23 LEU HA 4.070 . 4.070 3.809 3.391 4.025 . 0 0 "[ ]" 1
294 1 22 LEU HG 1 35 VAL HA 4.410 . 4.410 4.108 3.848 4.404 . 0 0 "[ ]" 1
295 1 23 LEU H 1 23 LEU HB2 3.750 . 3.750 2.478 2.294 2.601 . 0 0 "[ ]" 1
296 1 23 LEU H 1 23 LEU HB3 3.830 . 3.830 2.660 2.554 2.770 . 0 0 "[ ]" 1
297 1 23 LEU H 1 24 SER H 4.820 . 4.820 4.579 4.522 4.665 . 0 0 "[ ]" 1
298 1 23 LEU H 1 24 SER HA 5.500 . 5.500 5.406 5.338 5.529 0.029 2 0 "[ ]" 1
299 1 23 LEU H 1 35 VAL HA 5.500 . 5.500 5.033 4.788 5.267 . 0 0 "[ ]" 1
300 1 23 LEU HA 1 24 SER H 3.510 . 3.510 2.218 2.144 2.352 . 0 0 "[ ]" 1
301 1 23 LEU HA 1 24 SER QB 4.160 . 4.160 3.998 3.974 4.031 . 0 0 "[ ]" 1
302 1 23 LEU HA 1 35 VAL HA 3.800 . 3.800 2.401 2.276 2.635 . 0 0 "[ ]" 1
303 1 23 LEU HA 1 35 VAL HB 3.840 . 3.840 3.099 2.635 3.790 . 0 0 "[ ]" 1
304 1 23 LEU HA 1 35 VAL MG2 3.760 . 3.760 2.474 2.279 2.861 . 0 0 "[ ]" 1
305 1 23 LEU HB2 1 24 SER H 4.570 . 4.570 4.180 4.086 4.280 . 0 0 "[ ]" 1
306 1 23 LEU HB2 1 35 VAL HA 4.730 . 4.730 4.637 4.450 4.851 0.121 2 0 "[ ]" 1
307 1 23 LEU HB3 1 24 SER H 4.450 . 4.450 3.857 3.573 4.002 . 0 0 "[ ]" 1
308 1 23 LEU QD 1 24 SER HA 4.180 . 4.180 3.597 3.183 4.051 . 0 0 "[ ]" 1
309 1 23 LEU QD 1 24 SER QB 4.860 . 4.860 4.387 4.166 4.511 . 0 0 "[ ]" 1
310 1 23 LEU QD 1 33 ILE MD 2.400 . 2.400 2.055 1.955 2.136 . 0 0 "[ ]" 1
311 1 23 LEU QD 1 34 VAL H 4.160 . 4.160 4.262 4.081 4.379 0.219 3 0 "[ ]" 1
312 1 23 LEU QD 1 35 VAL H 4.730 . 4.730 4.575 4.365 4.704 . 0 0 "[ ]" 1
313 1 23 LEU QD 1 35 VAL HB 2.860 . 2.860 2.192 2.067 2.283 . 0 0 "[ ]" 1
314 1 24 SER H 1 24 SER QB 3.200 . 3.200 2.617 2.526 2.758 . 0 0 "[ ]" 1
315 1 24 SER H 1 33 ILE MD 4.380 . 4.380 4.452 4.342 4.525 0.145 1 0 "[ ]" 1
316 1 24 SER H 1 34 VAL H 4.060 . 4.060 3.553 3.435 3.694 . 0 0 "[ ]" 1
317 1 24 SER H 1 34 VAL MG1 4.620 . 4.620 4.456 4.431 4.482 . 0 0 "[ ]" 1
318 1 24 SER H 1 35 VAL HA 4.250 . 4.250 2.789 2.537 3.152 . 0 0 "[ ]" 1
319 1 24 SER H 1 36 LYS H 5.500 . 5.500 4.495 4.161 4.900 . 0 0 "[ ]" 1
320 1 24 SER HA 1 25 LYS H 3.360 . 3.360 2.328 2.232 2.394 . 0 0 "[ ]" 1
321 1 24 SER HA 1 34 VAL H 5.500 . 5.500 4.891 4.845 4.967 . 0 0 "[ ]" 1
322 1 24 SER HA 1 35 VAL HA 5.420 . 5.420 5.547 5.383 5.823 0.403 2 0 "[ ]" 1
323 1 24 SER QB 1 25 LYS H 3.290 . 3.290 3.457 3.399 3.560 0.270 2 0 "[ ]" 1
324 1 24 SER QB 1 34 VAL H 5.120 . 5.120 3.479 3.421 3.555 . 0 0 "[ ]" 1
325 1 24 SER QB 1 34 VAL HB 3.300 . 3.300 2.997 2.706 3.230 . 0 0 "[ ]" 1
326 1 24 SER QB 1 34 VAL MG1 3.180 . 3.180 3.342 3.163 3.435 0.255 3 0 "[ ]" 1
327 1 25 LYS HA 1 26 LYS QG 4.830 . 4.830 3.939 3.745 4.129 . 0 0 "[ ]" 1
328 1 25 LYS HA 1 33 ILE HA 4.170 . 4.170 2.286 2.244 2.321 . 0 0 "[ ]" 1
329 1 25 LYS HA 1 33 ILE HB 5.260 . 5.260 2.612 2.487 2.719 . 0 0 "[ ]" 1
330 1 25 LYS HA 1 33 ILE MG 3.820 . 3.820 2.537 2.534 2.539 . 0 0 "[ ]" 1
331 1 25 LYS HG2 1 33 ILE HA 5.190 . 5.190 4.097 4.006 4.182 . 0 0 "[ ]" 1
332 1 25 LYS HG2 1 33 ILE HB 4.230 . 4.230 3.136 2.896 3.330 . 0 0 "[ ]" 1
333 1 25 LYS HG2 1 33 ILE MD 4.650 . 4.650 3.830 3.604 4.040 . 0 0 "[ ]" 1
334 1 25 LYS HG2 1 33 ILE MG 3.440 . 3.440 2.338 2.268 2.394 . 0 0 "[ ]" 1
335 1 25 LYS HG3 1 33 ILE MG 3.720 . 3.720 3.752 3.721 3.801 0.081 2 0 "[ ]" 1
336 1 26 LYS H 1 26 LYS HB2 3.910 . 3.910 2.324 2.212 2.407 . 0 0 "[ ]" 1
337 1 26 LYS H 1 26 LYS HB3 3.740 . 3.740 3.585 3.510 3.636 . 0 0 "[ ]" 1
338 1 26 LYS H 1 26 LYS QD 4.510 . 4.510 4.242 4.072 4.371 . 0 0 "[ ]" 1
339 1 26 LYS H 1 26 LYS QE 5.500 . 5.500 5.043 4.859 5.155 . 0 0 "[ ]" 1
340 1 26 LYS H 1 26 LYS QG 3.890 . 3.890 2.909 2.833 3.043 . 0 0 "[ ]" 1
341 1 26 LYS H 1 27 GLN QB 5.500 . 5.500 4.436 4.289 4.642 . 0 0 "[ ]" 1
342 1 26 LYS H 1 27 GLN QE 4.540 . 4.540 4.196 3.592 4.684 0.144 1 0 "[ ]" 1
343 1 26 LYS H 1 32 ILE H 5.080 . 5.080 4.616 4.332 4.848 . 0 0 "[ ]" 1
344 1 26 LYS H 1 32 ILE HB 4.210 . 4.210 4.248 4.168 4.378 0.168 2 0 "[ ]" 1
345 1 26 LYS H 1 33 ILE H 5.450 . 5.450 4.458 4.375 4.555 . 0 0 "[ ]" 1
346 1 26 LYS H 1 33 ILE HA 4.270 . 4.270 2.126 1.907 2.311 . 0 0 "[ ]" 1
347 1 26 LYS H 1 33 ILE MD 5.450 . 5.450 5.503 5.436 5.624 0.174 3 0 "[ ]" 1
348 1 26 LYS H 1 33 ILE MG 4.050 . 4.050 2.992 2.916 3.074 . 0 0 "[ ]" 1
349 1 26 LYS HA 1 26 LYS QD 3.320 . 3.320 2.145 2.112 2.180 . 0 0 "[ ]" 1
350 1 26 LYS HA 1 26 LYS QE 4.250 . 4.250 3.849 3.634 4.055 . 0 0 "[ ]" 1
351 1 26 LYS HA 1 27 GLN QE 3.960 . 3.960 3.750 3.542 3.987 0.027 2 0 "[ ]" 1
352 1 26 LYS HA 1 33 ILE HA 4.810 . 4.810 4.567 4.498 4.632 . 0 0 "[ ]" 1
353 1 26 LYS HB2 1 26 LYS QE 4.720 . 4.720 4.268 4.239 4.300 . 0 0 "[ ]" 1
354 1 26 LYS HB2 1 27 GLN HA 4.370 . 4.370 4.537 4.501 4.579 0.209 2 0 "[ ]" 1
355 1 26 LYS HB2 1 27 GLN QE 4.800 . 4.800 2.713 2.062 3.342 . 0 0 "[ ]" 1
356 1 26 LYS HB2 1 32 ILE MG 3.790 . 3.790 2.907 2.632 3.071 . 0 0 "[ ]" 1
357 1 26 LYS HB2 1 33 ILE HA 5.030 . 5.030 3.131 3.025 3.204 . 0 0 "[ ]" 1
358 1 26 LYS HB3 1 26 LYS QE 3.990 . 3.990 3.929 3.831 4.011 0.021 2 0 "[ ]" 1
359 1 26 LYS HB3 1 27 GLN QE 4.640 . 4.640 1.987 1.874 2.119 . 0 0 "[ ]" 1
360 1 26 LYS HB3 1 32 ILE MG 3.800 . 3.800 3.758 3.506 3.893 0.093 3 0 "[ ]" 1
361 1 26 LYS HB3 1 33 ILE H 5.500 . 5.500 5.821 5.770 5.856 0.356 2 0 "[ ]" 1
362 1 26 LYS QD 1 27 GLN QE 4.750 . 4.750 3.587 3.485 3.648 . 0 0 "[ ]" 1
363 1 26 LYS QE 1 26 LYS QG 3.340 . 3.340 2.117 2.113 2.120 . 0 0 "[ ]" 1
364 1 26 LYS QE 1 34 VAL H 4.390 . 4.390 4.605 4.486 4.723 0.333 2 0 "[ ]" 1
365 1 26 LYS QE 1 34 VAL MG1 3.250 . 3.250 3.242 3.203 3.307 0.057 2 0 "[ ]" 1
366 1 26 LYS QG 1 34 VAL H 4.570 . 4.570 3.381 3.220 3.466 . 0 0 "[ ]" 1
367 1 27 GLN HA 1 27 GLN QE 3.170 . 3.170 2.262 1.731 2.608 0.069 1 0 "[ ]" 1
368 1 27 GLN HA 1 27 GLN HG2 3.730 . 3.730 3.399 3.197 3.663 . 0 0 "[ ]" 1
369 1 27 GLN HA 1 32 ILE H 5.500 . 5.500 4.842 4.663 4.995 . 0 0 "[ ]" 1
370 1 27 GLN QB 1 27 GLN QE 3.640 . 3.640 3.334 3.266 3.371 . 0 0 "[ ]" 1
371 1 27 GLN QB 1 28 GLU H 3.860 . 3.860 2.466 2.023 3.267 . 0 0 "[ ]" 1
372 1 27 GLN QB 1 29 ASP H 3.620 . 3.620 2.593 2.413 2.684 . 0 0 "[ ]" 1
373 1 27 GLN QB 1 30 GLY H 4.790 . 4.790 3.304 3.083 3.531 . 0 0 "[ ]" 1
374 1 27 GLN QB 1 31 SER H 4.910 . 4.910 3.399 2.374 3.929 . 0 0 "[ ]" 1
375 1 27 GLN QB 1 32 ILE H . . 3.920 2.530 2.153 2.935 . 0 0 "[ ]" 1
376 1 27 GLN QB 1 32 ILE HB 4.090 . 4.090 3.559 2.543 4.084 . 0 0 "[ ]" 1
377 1 27 GLN QE 1 32 ILE H 5.500 . 5.500 4.404 3.810 5.426 . 0 0 "[ ]" 1
378 1 27 GLN QE 1 32 ILE MD 4.140 . 4.140 3.438 2.781 4.138 . 0 0 "[ ]" 1
379 1 27 GLN QE 1 32 ILE MG 4.180 . 4.180 3.761 3.280 4.278 0.098 1 0 "[ ]" 1
380 1 27 GLN HG2 1 32 ILE MD 3.520 . 3.520 3.364 2.623 3.746 0.226 3 0 "[ ]" 1
381 1 27 GLN HG3 1 28 GLU H 4.410 . 4.410 4.365 4.215 4.482 0.072 2 0 "[ ]" 1
382 1 27 GLN HG3 1 32 ILE MD 3.580 . 3.580 3.733 3.599 3.879 0.299 1 0 "[ ]" 1
383 1 28 GLU H 1 28 GLU HB3 3.560 . 3.560 3.026 2.614 3.517 . 0 0 "[ ]" 1
384 1 28 GLU H 1 28 GLU QG 3.810 . 3.810 1.945 1.711 2.266 0.089 1 0 "[ ]" 1
385 1 28 GLU H 1 29 ASP H 4.030 . 4.030 2.537 2.340 2.667 . 0 0 "[ ]" 1
386 1 28 GLU H 1 29 ASP HA 5.500 . 5.500 5.200 5.061 5.275 . 0 0 "[ ]" 1
387 1 28 GLU HA 1 28 GLU HB2 2.620 . 2.620 2.682 2.479 2.980 0.360 1 0 "[ ]" 1
388 1 28 GLU HA 1 28 GLU HB3 2.400 . 2.400 2.365 2.313 2.426 0.026 2 0 "[ ]" 1
389 1 28 GLU HB3 1 28 GLU QG 2.400 . 2.400 2.384 2.314 2.461 0.061 3 0 "[ ]" 1
390 1 28 GLU QG 1 29 ASP H 3.300 . 3.300 2.616 2.095 3.580 0.280 1 0 "[ ]" 1
391 1 29 ASP H 1 29 ASP HB2 3.950 . 3.950 2.666 2.478 2.945 . 0 0 "[ ]" 1
392 1 29 ASP H 1 29 ASP HB3 3.800 . 3.800 3.650 3.539 3.732 . 0 0 "[ ]" 1
393 1 29 ASP H 1 30 GLY H 3.260 . 3.260 2.858 2.509 3.171 . 0 0 "[ ]" 1
394 1 29 ASP H 1 31 SER H 5.040 . 5.040 4.331 3.808 4.622 . 0 0 "[ ]" 1
395 1 29 ASP H 1 32 ILE H 5.060 . 5.060 5.340 5.293 5.386 0.326 3 0 "[ ]" 1
396 1 29 ASP HA 1 31 SER H 4.890 . 4.890 5.203 4.818 5.455 0.565 2 1 "[ + ]" 1
397 1 29 ASP HB2 1 30 GLY H 3.830 . 3.830 2.301 1.774 3.349 0.026 3 0 "[ ]" 1
398 1 30 GLY H 1 31 SER HB3 5.500 . 5.500 3.927 3.431 4.788 . 0 0 "[ ]" 1
399 1 30 GLY H 1 32 ILE H 4.210 . 4.210 4.400 3.836 4.890 0.680 3 1 "[ +]" 1
400 1 31 SER H 1 32 ILE H 3.520 . 3.520 3.307 2.088 3.970 0.450 3 0 "[ ]" 1
401 1 31 SER HA 1 49 PHE H 4.690 . 4.690 4.221 3.996 4.337 . 0 0 "[ ]" 1
402 1 31 SER HA 1 49 PHE QB 4.090 . 4.090 2.361 2.280 2.506 . 0 0 "[ ]" 1
403 1 31 SER HA 1 49 PHE QD 5.500 . 5.500 2.424 2.336 2.560 . 0 0 "[ ]" 1
404 1 31 SER HB2 1 32 ILE H 4.630 . 4.630 3.800 3.437 4.174 . 0 0 "[ ]" 1
405 1 31 SER HB2 1 49 PHE H 5.070 . 5.070 4.877 4.068 5.289 0.219 2 0 "[ ]" 1
406 1 31 SER HB3 1 32 ILE H 5.260 . 5.260 3.061 2.377 4.217 . 0 0 "[ ]" 1
407 1 32 ILE H 1 32 ILE HB 4.160 . 4.160 2.806 2.725 2.937 . 0 0 "[ ]" 1
408 1 32 ILE H 1 32 ILE MG 4.190 . 4.190 3.897 3.832 3.979 . 0 0 "[ ]" 1
409 1 32 ILE H 1 33 ILE H 4.770 . 4.770 4.454 4.322 4.624 . 0 0 "[ ]" 1
410 1 32 ILE H 1 49 PHE H 4.910 . 4.910 4.971 4.793 5.160 0.250 1 0 "[ ]" 1
411 1 32 ILE HA 1 32 ILE MD 4.010 . 4.010 3.703 3.683 3.729 . 0 0 "[ ]" 1
412 1 32 ILE HA 1 32 ILE MG 3.570 . 3.570 2.315 2.268 2.399 . 0 0 "[ ]" 1
413 1 32 ILE HA 1 48 SER HB2 4.940 . 4.940 4.377 4.025 4.555 . 0 0 "[ ]" 1
414 1 32 ILE HA 1 49 PHE QD 4.550 . 4.550 3.722 3.468 3.907 . 0 0 "[ ]" 1
415 1 32 ILE MD 1 48 SER HA 4.100 . 4.100 3.652 3.480 3.875 . 0 0 "[ ]" 1
416 1 32 ILE MD 1 48 SER HB2 3.700 . 3.700 3.392 3.294 3.442 . 0 0 "[ ]" 1
417 1 32 ILE MD 1 48 SER HB3 3.830 . 3.830 4.146 3.987 4.344 0.514 1 1 "[+ ]" 1
418 1 32 ILE HG12 1 32 ILE MG 3.070 . 3.070 2.423 2.359 2.497 . 0 0 "[ ]" 1
419 1 32 ILE HG12 1 48 SER HB2 4.960 . 4.960 3.552 2.936 3.962 . 0 0 "[ ]" 1
420 1 32 ILE MG 1 33 ILE H 4.090 . 4.090 2.155 1.939 2.332 . 0 0 "[ ]" 1
421 1 32 ILE MG 1 47 ILE MG 4.930 . 4.930 4.487 4.451 4.550 . 0 0 "[ ]" 1
422 1 32 ILE MG 1 48 SER H 5.200 . 5.200 4.210 4.039 4.311 . 0 0 "[ ]" 1
423 1 32 ILE MG 1 48 SER HA 4.110 . 4.110 2.281 2.254 2.295 . 0 0 "[ ]" 1
424 1 32 ILE MG 1 48 SER HB2 3.200 . 3.200 3.066 2.962 3.192 . 0 0 "[ ]" 1
425 1 32 ILE MG 1 48 SER HB3 4.260 . 4.260 3.829 3.194 4.225 . 0 0 "[ ]" 1
426 1 32 ILE MG 1 49 PHE H 5.050 . 5.050 4.066 4.045 4.096 . 0 0 "[ ]" 1
427 1 32 ILE MG 1 49 PHE QD 4.460 . 4.460 4.968 4.913 5.056 0.596 3 1 "[ +]" 1
428 1 33 ILE H 1 33 ILE MG 4.050 . 4.050 2.810 2.681 2.875 . 0 0 "[ ]" 1
429 1 33 ILE H 1 47 ILE H 3.360 . 3.360 3.646 3.597 3.680 0.320 1 0 "[ ]" 1
430 1 33 ILE H 1 47 ILE HA 5.500 . 5.500 4.947 4.870 4.986 . 0 0 "[ ]" 1
431 1 33 ILE H 1 47 ILE HG13 5.500 . 5.500 5.513 5.459 5.554 0.054 2 0 "[ ]" 1
432 1 33 ILE H 1 49 PHE QD 5.060 . 5.060 4.474 4.293 4.741 . 0 0 "[ ]" 1
433 1 33 ILE HA 1 33 ILE MD 4.350 . 4.350 4.109 4.100 4.116 . 0 0 "[ ]" 1
434 1 33 ILE HA 1 33 ILE MG 3.630 . 3.630 2.427 2.385 2.462 . 0 0 "[ ]" 1
435 1 33 ILE HB 1 33 ILE MD 3.630 . 3.630 2.272 2.253 2.301 . 0 0 "[ ]" 1
436 1 33 ILE HB 1 34 VAL H 4.130 . 4.130 2.444 2.422 2.463 . 0 0 "[ ]" 1
437 1 33 ILE HB 1 35 VAL H 5.500 . 5.500 5.417 5.362 5.460 . 0 0 "[ ]" 1
438 1 33 ILE MD 1 33 ILE MG 2.940 . 2.940 1.960 1.900 2.067 . 0 0 "[ ]" 1
439 1 33 ILE MD 1 34 VAL H 3.920 . 3.920 4.017 4.002 4.047 0.127 3 0 "[ ]" 1
440 1 33 ILE MD 1 35 VAL H 4.830 . 4.830 4.907 4.896 4.915 0.085 1 0 "[ ]" 1
441 1 33 ILE MD 1 47 ILE MD 3.100 . 3.100 2.954 2.721 3.160 0.060 2 0 "[ ]" 1
442 1 33 ILE MD 1 47 ILE MG 4.250 . 4.250 3.402 3.097 3.780 . 0 0 "[ ]" 1
443 1 33 ILE MD 1 49 PHE QD 4.720 . 4.720 4.289 4.052 4.564 . 0 0 "[ ]" 1
444 1 33 ILE MG 1 34 VAL H 3.720 . 3.720 3.818 3.807 3.835 0.115 1 0 "[ ]" 1
445 1 33 ILE MG 1 47 ILE MG 5.070 . 5.070 4.461 4.291 4.735 . 0 0 "[ ]" 1
446 1 33 ILE MG 1 49 PHE QD 3.520 . 3.520 3.757 3.681 3.874 0.354 1 0 "[ ]" 1
447 1 34 VAL H 1 34 VAL HB 3.970 . 3.970 2.676 2.598 2.739 . 0 0 "[ ]" 1
448 1 34 VAL H 1 34 VAL MG1 4.210 . 4.210 3.816 3.783 3.847 . 0 0 "[ ]" 1
449 1 34 VAL H 1 35 VAL H 5.090 . 5.090 4.203 4.175 4.234 . 0 0 "[ ]" 1
450 1 34 VAL HA 1 34 VAL MG1 3.080 . 3.080 2.415 2.388 2.435 . 0 0 "[ ]" 1
451 1 34 VAL HA 1 35 VAL H 3.530 . 3.530 2.125 2.067 2.157 . 0 0 "[ ]" 1
452 1 34 VAL HA 1 46 GLN H 5.500 . 5.500 5.037 4.953 5.087 . 0 0 "[ ]" 1
453 1 34 VAL HA 1 46 GLN HA 4.120 . 4.120 2.823 2.509 3.026 . 0 0 "[ ]" 1
454 1 34 VAL HA 1 47 ILE H 4.610 . 4.610 2.881 2.792 2.963 . 0 0 "[ ]" 1
455 1 34 VAL HB 1 35 VAL H 5.060 . 5.060 4.305 4.284 4.334 . 0 0 "[ ]" 1
456 1 34 VAL MG1 1 35 VAL H 3.480 . 3.480 2.651 2.581 2.718 . 0 0 "[ ]" 1
457 1 34 VAL MG1 1 44 THR HB 3.130 . 3.130 2.698 2.570 2.840 . 0 0 "[ ]" 1
458 1 34 VAL MG1 1 46 GLN HA 3.820 . 3.820 3.236 3.125 3.307 . 0 0 "[ ]" 1
459 1 34 VAL MG1 1 46 GLN QB 3.740 . 3.740 3.926 3.683 4.101 0.361 3 0 "[ ]" 1
460 1 35 VAL H 1 35 VAL HB 4.070 . 4.070 3.131 3.092 3.160 . 0 0 "[ ]" 1
461 1 35 VAL H 1 35 VAL MG1 2.970 . 2.970 1.891 1.844 1.936 . 0 0 "[ ]" 1
462 1 35 VAL H 1 35 VAL MG2 3.740 . 3.740 3.844 3.819 3.867 0.127 2 0 "[ ]" 1
463 1 35 VAL H 1 36 LYS H 4.970 . 4.970 4.412 4.377 4.463 . 0 0 "[ ]" 1
464 1 35 VAL H 1 44 THR HB 5.430 . 5.430 5.110 4.928 5.287 . 0 0 "[ ]" 1
465 1 35 VAL H 1 45 LEU H 3.220 . 3.220 3.270 3.194 3.353 0.133 2 0 "[ ]" 1
466 1 35 VAL H 1 45 LEU HA 5.090 . 5.090 4.912 4.846 4.997 . 0 0 "[ ]" 1
467 1 35 VAL H 1 45 LEU HB2 4.970 . 4.970 2.989 2.736 3.428 . 0 0 "[ ]" 1
468 1 35 VAL H 1 45 LEU MD2 4.020 . 4.020 4.069 4.023 4.132 0.112 2 0 "[ ]" 1
469 1 35 VAL H 1 46 GLN HA 4.620 . 4.620 4.111 3.704 4.390 . 0 0 "[ ]" 1
470 1 35 VAL H 1 47 ILE H 4.820 . 4.820 4.272 4.206 4.394 . 0 0 "[ ]" 1
471 1 35 VAL H 1 47 ILE MD 4.470 . 4.470 3.614 3.381 3.983 . 0 0 "[ ]" 1
472 1 35 VAL H 1 47 ILE MG 5.500 . 5.500 5.774 5.638 5.969 0.469 2 0 "[ ]" 1
473 1 35 VAL HA 1 35 VAL MG2 3.360 . 3.360 2.328 2.281 2.356 . 0 0 "[ ]" 1
474 1 35 VAL HA 1 36 LYS H 3.510 . 3.510 2.176 2.140 2.234 . 0 0 "[ ]" 1
475 1 35 VAL HB 1 36 LYS H 4.220 . 4.220 4.112 4.089 4.136 . 0 0 "[ ]" 1
476 1 35 VAL MG1 1 36 LYS H 3.790 . 3.790 3.885 3.797 3.942 0.152 1 0 "[ ]" 1
477 1 35 VAL MG1 1 37 VAL HA 5.270 . 5.270 5.039 4.868 5.283 0.013 2 0 "[ ]" 1
478 1 35 VAL MG1 1 45 LEU H 3.500 . 3.500 3.417 3.124 3.568 0.068 3 0 "[ ]" 1
479 1 35 VAL MG1 1 45 LEU HB2 3.070 . 3.070 2.048 2.038 2.060 . 0 0 "[ ]" 1
480 1 35 VAL MG1 1 47 ILE H 4.820 . 4.820 4.624 4.499 4.825 0.005 1 0 "[ ]" 1
481 1 35 VAL MG1 1 47 ILE MD 2.420 . 2.420 2.195 2.067 2.344 . 0 0 "[ ]" 1
482 1 35 VAL MG2 1 36 LYS QB 4.800 . 4.800 3.891 3.736 4.120 . 0 0 "[ ]" 1
483 1 35 VAL MG2 1 37 VAL H 5.280 . 5.280 4.765 4.453 4.932 . 0 0 "[ ]" 1
484 1 35 VAL MG2 1 37 VAL HA 4.430 . 4.430 4.166 4.098 4.236 . 0 0 "[ ]" 1
485 1 36 LYS H 1 36 LYS QG 4.490 . 4.490 4.002 3.921 4.086 . 0 0 "[ ]" 1
486 1 36 LYS H 1 37 VAL H 4.950 . 4.950 4.545 4.465 4.607 . 0 0 "[ ]" 1
487 1 36 LYS H 1 45 LEU H 5.500 . 5.500 4.688 4.649 4.759 . 0 0 "[ ]" 1
488 1 36 LYS HA 1 45 LEU MD2 4.940 . 4.940 2.688 2.567 2.845 . 0 0 "[ ]" 1
489 1 36 LYS QB 1 45 LEU H 4.110 . 4.110 4.580 4.172 4.892 0.782 1 2 "[+ -]" 1
490 1 36 LYS QG 1 40 HIS H 5.240 . 5.240 5.375 5.215 5.529 0.289 2 0 "[ ]" 1
491 1 36 LYS QG 1 41 GLU HA 4.680 . 4.680 2.398 2.374 2.416 . 0 0 "[ ]" 1
492 1 36 LYS QG 1 44 THR H 5.500 . 5.500 4.326 4.040 4.535 . 0 0 "[ ]" 1
493 1 36 LYS QG 1 44 THR HA 5.340 . 5.340 2.814 2.495 3.069 . 0 0 "[ ]" 1
494 1 37 VAL H 1 37 VAL MG1 4.750 . 4.750 3.716 3.701 3.746 . 0 0 "[ ]" 1
495 1 37 VAL H 1 37 VAL MG2 3.470 . 3.470 2.627 1.893 3.000 . 0 0 "[ ]" 1
496 1 37 VAL H 1 41 GLU H 5.400 . 5.400 4.887 4.432 5.681 0.281 1 0 "[ ]" 1
497 1 37 VAL H 1 41 GLU QG 4.460 . 4.460 4.680 4.647 4.736 0.276 3 0 "[ ]" 1
498 1 37 VAL H 1 42 TYR H 5.050 . 5.050 3.803 3.415 4.191 . 0 0 "[ ]" 1
499 1 37 VAL H 1 43 MET H 4.270 . 4.270 3.965 3.695 4.400 0.130 2 0 "[ ]" 1
500 1 37 VAL H 1 44 THR H 5.500 . 5.500 5.350 5.245 5.539 0.039 2 0 "[ ]" 1
501 1 37 VAL H 1 44 THR HA 4.650 . 4.650 3.572 3.467 3.664 . 0 0 "[ ]" 1
502 1 37 VAL H 1 44 THR HB 5.110 . 5.110 5.470 5.350 5.575 0.465 3 0 "[ ]" 1
503 1 37 VAL H 1 45 LEU H 5.070 . 5.070 4.954 4.684 5.110 0.040 1 0 "[ ]" 1
504 1 37 VAL HA 1 37 VAL MG1 3.630 . 3.630 2.494 2.312 2.608 . 0 0 "[ ]" 1
505 1 37 VAL HA 1 37 VAL MG2 3.640 . 3.640 2.230 2.179 2.325 . 0 0 "[ ]" 1
506 1 37 VAL HB 1 41 GLU H 5.500 . 5.500 3.937 2.523 5.258 . 0 0 "[ ]" 1
507 1 37 VAL MG1 1 39 GLN H 4.730 . 4.730 3.537 1.887 4.667 . 0 0 "[ ]" 1
508 1 37 VAL MG1 1 39 GLN HA 5.500 . 5.500 4.752 3.992 5.340 . 0 0 "[ ]" 1
509 1 37 VAL MG1 1 40 HIS H 4.670 . 4.670 2.680 2.060 3.705 . 0 0 "[ ]" 1
510 1 37 VAL MG1 1 40 HIS QB 5.470 . 5.470 2.358 1.941 3.026 . 0 0 "[ ]" 1
511 1 37 VAL MG1 1 41 GLU H 4.870 . 4.870 3.577 2.907 4.610 . 0 0 "[ ]" 1
512 1 37 VAL MG1 1 41 GLU HA 4.260 . 4.260 4.489 4.403 4.648 0.388 1 0 "[ ]" 1
513 1 37 VAL MG1 1 41 GLU QG 5.260 . 5.260 4.561 3.987 4.897 . 0 0 "[ ]" 1
514 1 37 VAL MG1 1 107 LEU MD2 3.950 . 3.950 4.151 4.057 4.249 0.299 1 0 "[ ]" 1
515 1 37 VAL MG2 1 42 TYR H 5.500 . 5.500 4.455 4.194 4.665 . 0 0 "[ ]" 1
516 1 37 VAL MG2 1 43 MET H 5.140 . 5.140 3.732 3.597 3.803 . 0 0 "[ ]" 1
517 1 37 VAL MG2 1 44 THR HA 5.500 . 5.500 3.917 3.801 3.978 . 0 0 "[ ]" 1
518 1 37 VAL MG2 1 45 LEU H 4.720 . 4.720 4.638 4.586 4.723 0.003 2 0 "[ ]" 1
519 1 37 VAL MG2 1 45 LEU MD2 3.040 . 3.040 1.971 1.830 2.228 . 0 0 "[ ]" 1
520 1 37 VAL MG2 1 107 LEU MD2 3.610 . 3.610 3.282 3.071 3.439 . 0 0 "[ ]" 1
521 1 39 GLN H 1 40 HIS H 4.170 . 4.170 2.611 2.387 2.726 . 0 0 "[ ]" 1
522 1 39 GLN H 1 41 GLU H 3.780 . 3.780 4.032 3.871 4.288 0.508 1 1 "[+ ]" 1
523 1 39 GLN H 1 41 GLU QG 4.470 . 4.470 3.685 3.424 3.960 . 0 0 "[ ]" 1
524 1 40 HIS H 1 41 GLU H 3.690 . 3.690 2.335 1.828 3.220 . 0 0 "[ ]" 1
525 1 40 HIS H 1 41 GLU QG 3.630 . 3.630 3.291 2.753 3.643 0.013 1 0 "[ ]" 1
526 1 40 HIS H 1 42 TYR H 5.500 . 5.500 4.978 4.777 5.293 . 0 0 "[ ]" 1
527 1 40 HIS HA 1 42 TYR H 5.500 . 5.500 5.092 4.096 5.616 0.116 3 0 "[ ]" 1
528 1 41 GLU H 1 41 GLU HB2 3.890 . 3.890 3.024 2.395 3.389 . 0 0 "[ ]" 1
529 1 41 GLU H 1 41 GLU HB3 4.160 . 4.160 3.861 3.596 4.032 . 0 0 "[ ]" 1
530 1 41 GLU H 1 41 GLU QG 3.200 . 3.200 2.433 2.375 2.544 . 0 0 "[ ]" 1
531 1 41 GLU H 1 42 TYR H 3.490 . 3.490 3.434 3.170 3.585 0.095 1 0 "[ ]" 1
532 1 41 GLU H 1 42 TYR QD 5.500 . 5.500 3.932 3.170 5.258 . 0 0 "[ ]" 1
533 1 41 GLU HA 1 41 GLU QG 3.150 . 3.150 2.291 2.276 2.321 . 0 0 "[ ]" 1
534 1 41 GLU HA 1 43 MET H 3.970 . 3.970 3.967 3.882 4.017 0.047 2 0 "[ ]" 1
535 1 41 GLU HB2 1 42 TYR H 4.440 . 4.440 4.472 4.406 4.520 0.080 3 0 "[ ]" 1
536 1 41 GLU HB3 1 42 TYR H 5.500 . 5.500 4.217 4.118 4.314 . 0 0 "[ ]" 1
537 1 41 GLU QG 1 42 TYR H 4.130 . 4.130 4.343 4.311 4.403 0.273 1 0 "[ ]" 1
538 1 42 TYR H 1 42 TYR HB3 4.040 . 4.040 3.621 3.300 3.804 . 0 0 "[ ]" 1
539 1 42 TYR H 1 43 MET H 3.260 . 3.260 1.728 1.592 1.807 0.208 1 0 "[ ]" 1
540 1 42 TYR H 1 43 MET HA 4.270 . 4.270 4.343 4.324 4.353 0.083 3 0 "[ ]" 1
541 1 42 TYR H 1 44 THR H 4.950 . 4.950 5.316 5.185 5.429 0.479 1 0 "[ ]" 1
542 1 42 TYR HA 1 42 TYR QD 4.100 . 4.100 2.973 2.359 3.682 . 0 0 "[ ]" 1
543 1 42 TYR HA 1 67 CYS HB2 3.670 . 3.670 3.646 3.473 3.734 0.064 1 0 "[ ]" 1
544 1 42 TYR HB2 1 66 VAL MG2 3.710 . 3.710 3.640 3.322 3.883 0.173 2 0 "[ ]" 1
545 1 42 TYR QD 1 43 MET H 5.430 . 5.430 3.844 2.326 4.681 . 0 0 "[ ]" 1
546 1 42 TYR QD 1 66 VAL HA 4.830 . 4.830 4.706 4.301 5.022 0.192 1 0 "[ ]" 1
547 1 42 TYR QD 1 67 CYS H 5.500 . 5.500 3.264 3.167 3.407 . 0 0 "[ ]" 1
548 1 42 TYR QD 1 67 CYS HB2 4.650 . 4.650 2.849 2.318 3.455 . 0 0 "[ ]" 1
549 1 42 TYR QD 1 67 CYS HB3 4.720 . 4.720 3.947 3.074 4.672 . 0 0 "[ ]" 1
550 1 43 MET H 1 43 MET HG2 5.080 . 5.080 4.527 4.473 4.616 . 0 0 "[ ]" 1
551 1 43 MET H 1 43 MET HG3 4.590 . 4.590 4.510 4.477 4.531 . 0 0 "[ ]" 1
552 1 43 MET H 1 44 THR H 5.190 . 5.190 4.301 4.265 4.339 . 0 0 "[ ]" 1
553 1 43 MET H 1 44 THR MG 4.500 . 4.500 4.367 4.270 4.474 . 0 0 "[ ]" 1
554 1 43 MET HA 1 43 MET ME 3.990 . 3.990 3.062 2.328 3.472 . 0 0 "[ ]" 1
555 1 43 MET HA 1 43 MET HG2 3.470 . 3.470 3.294 3.116 3.547 0.077 2 0 "[ ]" 1
556 1 43 MET HA 1 43 MET HG3 3.920 . 3.920 2.315 2.299 2.338 . 0 0 "[ ]" 1
557 1 43 MET HA 1 44 THR H 3.630 . 3.630 2.062 2.044 2.087 . 0 0 "[ ]" 1
558 1 43 MET HA 1 64 VAL HB 4.920 . 4.920 5.262 4.994 5.402 0.482 3 0 "[ ]" 1
559 1 43 MET HA 1 66 VAL HA 3.880 . 3.880 2.316 2.290 2.343 . 0 0 "[ ]" 1
560 1 43 MET HA 1 66 VAL HB 4.960 . 4.960 3.145 2.529 3.995 . 0 0 "[ ]" 1
561 1 43 MET HA 1 66 VAL MG2 4.160 . 4.160 3.030 2.412 3.964 . 0 0 "[ ]" 1
562 1 43 MET HB2 1 43 MET ME 3.300 . 3.300 2.265 2.258 2.275 . 0 0 "[ ]" 1
563 1 43 MET ME 1 43 MET HG2 3.480 . 3.480 3.309 3.286 3.337 . 0 0 "[ ]" 1
564 1 43 MET ME 1 43 MET HG3 3.710 . 3.710 2.267 2.207 2.377 . 0 0 "[ ]" 1
565 1 43 MET ME 1 44 THR H 4.560 . 4.560 4.255 3.637 4.655 0.095 1 0 "[ ]" 1
566 1 43 MET ME 1 66 VAL H 4.040 . 4.040 4.179 3.973 4.299 0.259 3 0 "[ ]" 1
567 1 43 MET ME 1 66 VAL HA 4.730 . 4.730 3.506 2.367 4.084 . 0 0 "[ ]" 1
568 1 43 MET ME 1 66 VAL MG1 2.970 . 2.970 2.855 2.352 3.245 0.275 2 0 "[ ]" 1
569 1 43 MET ME 1 66 VAL MG2 3.570 . 3.570 2.602 2.359 2.763 . 0 0 "[ ]" 1
570 1 43 MET ME 1 76 TYR HB2 4.640 . 4.640 4.254 4.198 4.319 . 0 0 "[ ]" 1
571 1 43 MET ME 1 76 TYR QD 3.310 . 3.310 2.939 2.783 3.093 . 0 0 "[ ]" 1
572 1 43 MET ME 1 76 TYR QE 4.720 . 4.720 2.789 2.390 3.488 . 0 0 "[ ]" 1
573 1 43 MET ME 1 111 LEU MD1 5.500 . 5.500 5.697 5.607 5.776 0.276 1 0 "[ ]" 1
574 1 43 MET HG2 1 44 THR H 4.790 . 4.790 3.625 3.363 4.067 . 0 0 "[ ]" 1
575 1 43 MET HG2 1 64 VAL HA 4.810 . 4.810 4.894 4.808 4.987 0.177 2 0 "[ ]" 1
576 1 43 MET HG2 1 64 VAL MG2 3.980 . 3.980 3.970 3.699 4.159 0.179 1 0 "[ ]" 1
577 1 43 MET HG3 1 65 GLY H 4.880 . 4.880 3.715 3.551 3.872 . 0 0 "[ ]" 1
578 1 44 THR H 1 44 THR HB 4.190 . 4.190 3.680 3.668 3.695 . 0 0 "[ ]" 1
579 1 44 THR H 1 45 LEU H 5.200 . 5.200 4.527 4.506 4.568 . 0 0 "[ ]" 1
580 1 44 THR H 1 45 LEU MD1 4.360 . 4.360 4.350 4.027 4.604 0.244 1 0 "[ ]" 1
581 1 44 THR H 1 45 LEU MD2 4.990 . 4.990 3.851 3.761 3.955 . 0 0 "[ ]" 1
582 1 44 THR H 1 65 GLY H 3.290 . 3.290 3.161 3.026 3.290 0.000 3 0 "[ ]" 1
583 1 44 THR H 1 65 GLY HA3 5.500 . 5.500 3.922 3.361 4.257 . 0 0 "[ ]" 1
584 1 44 THR H 1 66 VAL HB 5.090 . 5.090 4.373 3.968 5.010 . 0 0 "[ ]" 1
585 1 44 THR HA 1 44 THR MG 2.990 . 2.990 2.647 2.617 2.685 . 0 0 "[ ]" 1
586 1 44 THR HB 1 45 LEU H 3.390 . 3.390 2.982 2.887 3.040 . 0 0 "[ ]" 1
587 1 44 THR HB 1 65 GLY H 5.500 . 5.500 4.763 4.390 4.975 . 0 0 "[ ]" 1
588 1 45 LEU H 1 45 LEU MD1 3.480 . 3.480 3.564 3.338 3.732 0.252 1 0 "[ ]" 1
589 1 45 LEU H 1 45 LEU MD2 3.540 . 3.540 2.050 1.969 2.121 . 0 0 "[ ]" 1
590 1 45 LEU H 1 46 GLN H 5.070 . 5.070 4.310 4.273 4.383 . 0 0 "[ ]" 1
591 1 45 LEU HA 1 45 LEU MD1 3.720 . 3.720 2.085 2.052 2.113 . 0 0 "[ ]" 1
592 1 45 LEU HA 1 46 GLN H 3.520 . 3.520 2.150 2.144 2.164 . 0 0 "[ ]" 1
593 1 45 LEU HA 1 64 VAL HA 4.410 . 4.410 2.440 2.315 2.528 . 0 0 "[ ]" 1
594 1 45 LEU HA 1 64 VAL MG2 4.320 . 4.320 4.660 4.545 4.754 0.434 1 0 "[ ]" 1
595 1 45 LEU HB2 1 46 GLN H 4.490 . 4.490 4.297 4.251 4.383 . 0 0 "[ ]" 1
596 1 45 LEU HB2 1 64 VAL MG1 4.730 . 4.730 4.774 4.733 4.828 0.098 1 0 "[ ]" 1
597 1 45 LEU HB3 1 45 LEU MD1 3.130 . 3.130 2.359 2.331 2.408 . 0 0 "[ ]" 1
598 1 45 LEU HB3 1 46 GLN H 4.310 . 4.310 3.517 3.405 3.606 . 0 0 "[ ]" 1
599 1 45 LEU HB3 1 47 ILE HG12 4.220 . 4.220 3.742 3.728 3.768 . 0 0 "[ ]" 1
600 1 45 LEU HB3 1 64 VAL HA 4.890 . 4.890 4.682 4.507 4.830 . 0 0 "[ ]" 1
601 1 45 LEU HB3 1 107 LEU MD2 5.470 . 5.470 5.106 5.006 5.230 . 0 0 "[ ]" 1
602 1 45 LEU MD1 1 46 GLN H 4.130 . 4.130 3.640 3.568 3.761 . 0 0 "[ ]" 1
603 1 45 LEU MD1 1 64 VAL HA 3.640 . 3.640 2.999 2.958 3.034 . 0 0 "[ ]" 1
604 1 45 LEU MD1 1 64 VAL MG2 3.220 . 3.220 3.399 3.344 3.430 0.210 1 0 "[ ]" 1
605 1 45 LEU MD1 1 65 GLY H 3.680 . 3.680 3.756 3.645 3.860 0.180 1 0 "[ ]" 1
606 1 45 LEU MD1 1 107 LEU MD2 3.920 . 3.920 3.839 3.767 3.934 0.014 3 0 "[ ]" 1
607 1 45 LEU MD2 1 46 GLN H 5.040 . 5.040 4.798 4.722 4.881 . 0 0 "[ ]" 1
608 1 45 LEU MD2 1 85 PHE QD 4.000 . 6.000 4.363 4.212 4.662 . 0 0 "[ ]" 1
609 1 45 LEU MD2 1 107 LEU MD2 3.360 . 3.360 3.565 3.419 3.747 0.387 3 0 "[ ]" 1
610 1 46 GLN H 1 46 GLN QB 3.850 . 3.850 2.320 2.315 2.324 . 0 0 "[ ]" 1
611 1 46 GLN H 1 63 GLU H 3.510 . 3.510 3.339 3.270 3.389 . 0 0 "[ ]" 1
612 1 46 GLN H 1 63 GLU HB2 5.500 . 5.500 5.512 5.260 5.668 0.168 1 0 "[ ]" 1
613 1 46 GLN H 1 63 GLU HB3 5.500 . 5.500 4.868 4.299 5.813 0.313 3 0 "[ ]" 1
614 1 46 GLN H 1 64 VAL HA 4.200 . 4.200 2.685 2.600 2.752 . 0 0 "[ ]" 1
615 1 46 GLN H 1 64 VAL MG1 3.790 . 3.790 3.252 3.160 3.313 . 0 0 "[ ]" 1
616 1 46 GLN HA 1 46 GLN HG3 4.270 . 4.270 2.728 2.483 2.861 . 0 0 "[ ]" 1
617 1 46 GLN HA 1 47 ILE HG12 5.160 . 5.160 4.965 4.819 5.067 . 0 0 "[ ]" 1
618 1 46 GLN QB 1 63 GLU H 3.760 . 3.760 2.327 2.144 2.669 . 0 0 "[ ]" 1
619 1 46 GLN HG2 1 63 GLU H 4.780 . 4.780 3.825 3.375 4.056 . 0 0 "[ ]" 1
620 1 46 GLN HG3 1 47 ILE H 4.140 . 4.140 3.038 2.662 3.270 . 0 0 "[ ]" 1
621 1 46 GLN HG3 1 48 SER H 5.370 . 5.370 5.455 5.379 5.513 0.143 2 0 "[ ]" 1
622 1 46 GLN HG3 1 63 GLU H 4.380 . 4.380 4.060 3.800 4.566 0.186 2 0 "[ ]" 1
623 1 47 ILE H 1 47 ILE MD 5.120 . 5.120 3.860 3.810 3.891 . 0 0 "[ ]" 1
624 1 47 ILE H 1 62 ILE H 5.090 . 5.090 4.463 4.420 4.510 . 0 0 "[ ]" 1
625 1 47 ILE HA 1 47 ILE MD 3.880 . 3.880 3.828 3.819 3.842 . 0 0 "[ ]" 1
626 1 47 ILE HA 1 47 ILE HG12 4.250 . 4.250 2.555 2.525 2.583 . 0 0 "[ ]" 1
627 1 47 ILE HA 1 60 ASN H 5.500 . 5.500 4.058 3.807 4.215 . 0 0 "[ ]" 1
628 1 47 ILE HA 1 60 ASN HA 5.150 . 5.150 5.249 5.179 5.327 0.177 2 0 "[ ]" 1
629 1 47 ILE HA 1 60 ASN HB3 5.190 . 5.190 5.023 4.899 5.157 . 0 0 "[ ]" 1
630 1 47 ILE HA 1 62 ILE H 5.070 . 5.070 2.381 2.283 2.466 . 0 0 "[ ]" 1
631 1 47 ILE HB 1 49 PHE QD 5.090 . 5.090 5.000 4.841 5.145 0.055 1 0 "[ ]" 1
632 1 47 ILE MD 1 47 ILE MG 3.170 . 3.170 1.838 1.790 1.903 0.010 3 0 "[ ]" 1
633 1 47 ILE MD 1 48 SER H 5.180 . 5.180 4.563 4.529 4.581 . 0 0 "[ ]" 1
634 1 47 ILE MD 1 61 VAL HA 4.250 . 4.250 4.074 3.997 4.225 . 0 0 "[ ]" 1
635 1 47 ILE MD 1 85 PHE QD 4.410 . 4.410 4.751 4.645 4.863 0.453 1 0 "[ ]" 1
636 1 47 ILE MD 1 89 MET ME 4.750 . 4.750 2.905 2.653 3.308 . 0 0 "[ ]" 1
637 1 47 ILE MD 1 103 PHE QE 4.000 . 6.000 3.808 3.250 4.180 . 0 0 "[ ]" 1
638 1 47 ILE HG13 1 47 ILE MG 3.710 . 3.710 3.180 3.175 3.185 . 0 0 "[ ]" 1
639 1 47 ILE MG 1 48 SER H 3.880 . 3.880 1.870 1.813 1.908 . 0 0 "[ ]" 1
640 1 47 ILE MG 1 48 SER HA 5.420 . 5.420 3.580 3.548 3.625 . 0 0 "[ ]" 1
641 1 47 ILE MG 1 49 PHE QB 5.080 . 5.080 5.474 5.457 5.504 0.424 3 0 "[ ]" 1
642 1 47 ILE MG 1 49 PHE QD 3.650 . 3.650 3.310 3.235 3.379 . 0 0 "[ ]" 1
643 1 47 ILE MG 1 60 ASN H 4.240 . 4.240 2.196 2.076 2.359 . 0 0 "[ ]" 1
644 1 47 ILE MG 1 61 VAL HA 4.090 . 4.090 2.869 2.771 2.934 . 0 0 "[ ]" 1
645 1 47 ILE MG 1 61 VAL MG1 4.030 . 4.030 4.361 4.280 4.441 0.411 2 0 "[ ]" 1
646 1 47 ILE MG 1 61 VAL MG2 4.280 . 4.280 4.399 4.177 4.530 0.250 1 0 "[ ]" 1
647 1 47 ILE MG 1 62 ILE H 5.500 . 5.500 3.990 3.943 4.048 . 0 0 "[ ]" 1
648 1 47 ILE MG 1 63 GLU H 5.500 . 5.500 5.739 5.648 5.788 0.288 1 0 "[ ]" 1
649 1 47 ILE MG 1 89 MET ME 3.430 . 3.430 2.684 2.441 2.870 . 0 0 "[ ]" 1
650 1 48 SER H 1 48 SER HB3 3.500 . 3.500 3.031 2.991 3.076 . 0 0 "[ ]" 1
651 1 48 SER H 1 49 PHE QD 5.500 . 5.500 4.143 4.001 4.354 . 0 0 "[ ]" 1
652 1 48 SER H 1 60 ASN H 3.460 . 3.460 2.364 2.102 2.664 . 0 0 "[ ]" 1
653 1 48 SER H 1 60 ASN HA 5.270 . 5.270 4.419 4.357 4.512 . 0 0 "[ ]" 1
654 1 48 SER H 1 60 ASN HB2 5.040 . 5.040 3.412 3.311 3.478 . 0 0 "[ ]" 1
655 1 48 SER H 1 60 ASN HB3 5.020 . 5.020 3.854 3.765 3.922 . 0 0 "[ ]" 1
656 1 48 SER H 1 61 VAL HA 4.630 . 4.630 3.820 3.707 3.911 . 0 0 "[ ]" 1
657 1 48 SER H 1 62 ILE H 3.940 . 3.940 3.883 3.773 3.950 0.010 2 0 "[ ]" 1
658 1 48 SER H 1 62 ILE MD 4.050 . 4.050 3.696 3.476 3.880 . 0 0 "[ ]" 1
659 1 48 SER H 1 62 ILE HG13 4.780 . 4.780 4.582 4.398 4.710 . 0 0 "[ ]" 1
660 1 48 SER HA 1 49 PHE QB 5.090 . 5.090 4.454 4.379 4.521 . 0 0 "[ ]" 1
661 1 48 SER HA 1 49 PHE QD 4.870 . 4.870 3.469 3.382 3.578 . 0 0 "[ ]" 1
662 1 48 SER HB2 1 49 PHE H 4.930 . 4.930 3.431 2.540 3.941 . 0 0 "[ ]" 1
663 1 48 SER HB2 1 60 ASN HB2 3.970 . 3.970 4.059 4.016 4.139 0.169 3 0 "[ ]" 1
664 1 48 SER HB2 1 60 ASN HB3 4.110 . 4.110 4.148 4.068 4.306 0.196 3 0 "[ ]" 1
665 1 48 SER HB2 1 62 ILE MD 3.160 . 3.160 2.576 2.287 3.143 . 0 0 "[ ]" 1
666 1 48 SER HB2 1 62 ILE HG13 3.660 . 3.660 2.763 2.285 3.701 0.041 3 0 "[ ]" 1
667 1 48 SER HB3 1 60 ASN H 4.280 . 4.280 4.227 3.868 4.534 0.254 3 0 "[ ]" 1
668 1 48 SER HB3 1 60 ASN HB2 3.670 . 3.670 3.084 2.503 3.892 0.222 3 0 "[ ]" 1
669 1 48 SER HB3 1 60 ASN HB3 3.560 . 3.560 3.326 2.991 3.511 . 0 0 "[ ]" 1
670 1 48 SER HB3 1 62 ILE MD 3.370 . 3.370 2.375 2.215 2.616 . 0 0 "[ ]" 1
671 1 49 PHE H 1 49 PHE QD 5.500 . 5.500 3.124 2.963 3.205 . 0 0 "[ ]" 1
672 1 49 PHE QD 1 60 ASN H 4.590 . 4.590 4.240 3.936 4.560 . 0 0 "[ ]" 1
673 1 50 PRO HA 1 51 THR H 3.120 . 3.120 2.342 2.306 2.368 . 0 0 "[ ]" 1
674 1 50 PRO HA 1 52 HIS H 4.290 . 4.290 4.155 4.071 4.206 . 0 0 "[ ]" 1
675 1 50 PRO HA 1 53 TYR H 4.920 . 4.920 5.199 5.170 5.253 0.333 1 0 "[ ]" 1
676 1 50 PRO HB2 1 51 THR H 3.860 . 3.860 2.673 2.606 2.710 . 0 0 "[ ]" 1
677 1 50 PRO HB2 1 51 THR HB 4.350 . 4.350 4.200 4.123 4.252 . 0 0 "[ ]" 1
678 1 50 PRO HB2 1 52 HIS H 3.960 . 3.960 2.397 2.341 2.448 . 0 0 "[ ]" 1
679 1 50 PRO HB2 1 52 HIS HB2 4.560 . 4.560 3.507 3.413 3.662 . 0 0 "[ ]" 1
680 1 50 PRO HB3 1 51 THR H 3.750 . 3.750 3.590 3.520 3.633 . 0 0 "[ ]" 1
681 1 50 PRO HB3 1 52 HIS H 4.060 . 4.060 4.147 4.087 4.203 0.143 2 0 "[ ]" 1
682 1 50 PRO HG2 1 51 THR H 4.720 . 4.720 4.311 4.270 4.357 . 0 0 "[ ]" 1
683 1 50 PRO HG2 1 53 TYR H 4.350 . 4.350 3.433 3.276 3.544 . 0 0 "[ ]" 1
684 1 50 PRO HG3 1 52 HIS H 4.750 . 4.750 4.362 4.350 4.378 . 0 0 "[ ]" 1
685 1 50 PRO HG3 1 53 TYR H 4.880 . 4.880 5.194 5.044 5.295 0.415 3 0 "[ ]" 1
686 1 51 THR H 1 51 THR HB 3.160 . 3.160 2.746 2.723 2.764 . 0 0 "[ ]" 1
687 1 51 THR H 1 52 HIS H 3.400 . 3.400 2.789 2.728 2.828 . 0 0 "[ ]" 1
688 1 51 THR H 1 52 HIS HA 5.500 . 5.500 5.363 5.342 5.378 . 0 0 "[ ]" 1
689 1 51 THR H 1 53 TYR H 4.410 . 4.410 4.643 4.567 4.686 0.276 3 0 "[ ]" 1
690 1 51 THR H 1 53 TYR QE 5.500 . 5.500 5.119 4.866 5.467 . 0 0 "[ ]" 1
691 1 51 THR HA 1 51 THR MG 3.350 . 3.350 2.311 2.289 2.322 . 0 0 "[ ]" 1
692 1 51 THR HA 1 52 HIS HA 4.750 . 4.750 4.640 4.619 4.670 . 0 0 "[ ]" 1
693 1 51 THR HA 1 53 TYR H 4.480 . 4.480 3.745 3.657 3.834 . 0 0 "[ ]" 1
694 1 51 THR HB 1 52 HIS H 3.260 . 3.260 2.663 2.597 2.734 . 0 0 "[ ]" 1
695 1 51 THR HB 1 52 HIS HA 4.510 . 4.510 4.304 4.240 4.348 . 0 0 "[ ]" 1
696 1 51 THR HB 1 52 HIS HD2 4.310 . 4.310 3.242 3.007 3.453 . 0 0 "[ ]" 1
697 1 51 THR MG 1 52 HIS H 3.850 . 3.850 3.764 3.729 3.794 . 0 0 "[ ]" 1
698 1 51 THR MG 1 52 HIS HA 5.320 . 5.320 3.913 3.871 3.938 . 0 0 "[ ]" 1
699 1 51 THR MG 1 52 HIS HD2 4.620 . 4.620 3.850 2.649 4.452 . 0 0 "[ ]" 1
700 1 52 HIS H 1 53 TYR H 3.190 . 3.190 3.181 3.158 3.217 0.027 3 0 "[ ]" 1
701 1 52 HIS H 1 53 TYR QE 5.170 . 5.170 5.271 5.250 5.301 0.131 3 0 "[ ]" 1
702 1 52 HIS H 1 57 GLU HB2 5.500 . 5.500 4.714 4.230 5.015 . 0 0 "[ ]" 1
703 1 52 HIS H 1 57 GLU HG3 5.500 . 5.500 5.615 5.484 5.792 0.292 2 0 "[ ]" 1
704 1 52 HIS HA 1 52 HIS HD2 4.530 . 4.530 3.735 2.352 4.470 . 0 0 "[ ]" 1
705 1 52 HIS HA 1 56 GLU H 5.500 . 5.500 4.513 4.435 4.606 . 0 0 "[ ]" 1
706 1 52 HIS HB2 1 57 GLU H 5.170 . 5.170 4.353 4.214 4.480 . 0 0 "[ ]" 1
707 1 52 HIS HB2 1 57 GLU HB2 4.670 . 4.670 2.630 2.375 2.821 . 0 0 "[ ]" 1
708 1 53 TYR H 1 53 TYR HB2 4.130 . 4.130 3.442 3.362 3.542 . 0 0 "[ ]" 1
709 1 53 TYR H 1 53 TYR HB3 3.860 . 3.860 3.172 3.089 3.223 . 0 0 "[ ]" 1
710 1 53 TYR H 1 56 GLU H 4.730 . 4.730 4.621 4.445 4.806 0.076 1 0 "[ ]" 1
711 1 53 TYR H 1 57 GLU H 4.740 . 4.740 4.646 4.536 4.720 . 0 0 "[ ]" 1
712 1 53 TYR HA 1 57 GLU H 4.340 . 4.340 4.371 4.233 4.461 0.121 3 0 "[ ]" 1
713 1 53 TYR HB2 1 54 PRO QB 5.200 . 5.200 3.953 3.927 3.992 . 0 0 "[ ]" 1
714 1 54 PRO HA 1 57 GLU H 4.030 . 4.030 3.467 3.235 3.675 . 0 0 "[ ]" 1
715 1 54 PRO HA 1 58 ALA HA 4.640 . 4.640 2.080 1.954 2.172 . 0 0 "[ ]" 1
716 1 54 PRO HA 1 98 VAL QG 4.870 . 4.870 3.678 3.217 4.003 . 0 0 "[ ]" 1
717 1 54 PRO HD2 1 55 SER H 5.140 . 5.140 3.820 3.603 3.957 . 0 0 "[ ]" 1
718 1 54 PRO HD2 1 98 VAL QG 4.490 . 4.490 4.617 4.545 4.668 0.178 3 0 "[ ]" 1
719 1 54 PRO HD3 1 98 VAL QG 4.890 . 4.890 4.948 4.852 5.018 0.128 3 0 "[ ]" 1
720 1 55 SER H 1 55 SER QB 3.800 . 3.800 2.407 2.263 2.501 . 0 0 "[ ]" 1
721 1 55 SER H 1 56 GLU H 3.660 . 3.660 2.901 2.823 2.957 . 0 0 "[ ]" 1
722 1 55 SER H 1 57 GLU H 4.790 . 4.790 4.443 4.197 4.615 . 0 0 "[ ]" 1
723 1 55 SER QB 1 56 GLU H 5.090 . 5.090 2.816 2.431 3.238 . 0 0 "[ ]" 1
724 1 56 GLU H 1 56 GLU HB3 3.810 . 3.810 3.609 3.506 3.723 . 0 0 "[ ]" 1
725 1 56 GLU H 1 57 GLU H 3.000 . 3.000 2.506 2.038 2.761 . 0 0 "[ ]" 1
726 1 56 GLU H 1 57 GLU HA 5.500 . 5.500 4.965 4.567 5.183 . 0 0 "[ ]" 1
727 1 56 GLU H 1 58 ALA H 4.640 . 4.640 5.214 5.111 5.392 0.752 1 2 "[+ -]" 1
728 1 57 GLU H 1 57 GLU HB2 4.160 . 4.160 2.785 2.601 2.924 . 0 0 "[ ]" 1
729 1 57 GLU H 1 57 GLU HG2 4.920 . 4.920 3.883 3.100 4.305 . 0 0 "[ ]" 1
730 1 57 GLU H 1 57 GLU HG3 3.850 . 3.850 3.674 3.347 4.159 0.309 3 0 "[ ]" 1
731 1 57 GLU H 1 58 ALA H 3.970 . 3.970 3.040 2.581 3.835 . 0 0 "[ ]" 1
732 1 57 GLU H 1 58 ALA HA 4.350 . 4.350 4.422 4.225 4.661 0.311 1 0 "[ ]" 1
733 1 57 GLU H 1 58 ALA MB 4.750 . 4.750 4.852 4.616 5.216 0.466 1 0 "[ ]" 1
734 1 57 GLU HA 1 57 GLU HG2 3.690 . 3.690 2.540 2.410 2.735 . 0 0 "[ ]" 1
735 1 57 GLU HA 1 58 ALA MB 3.790 . 3.790 3.884 3.737 3.990 0.200 3 0 "[ ]" 1
736 1 57 GLU HB2 1 58 ALA H 3.890 . 3.890 2.719 1.886 4.219 0.329 1 0 "[ ]" 1
737 1 58 ALA H 1 58 ALA MB 3.170 . 3.170 2.621 2.084 2.945 . 0 0 "[ ]" 1
738 1 58 ALA HA 1 99 CYS HB2 4.710 . 4.710 4.679 3.994 5.060 0.350 2 0 "[ ]" 1
739 1 58 ALA MB 1 89 MET QG 4.350 . 4.350 3.110 2.517 3.981 . 0 0 "[ ]" 1
740 1 58 ALA MB 1 92 VAL H 4.490 . 4.490 4.432 3.937 4.735 0.245 3 0 "[ ]" 1
741 1 58 ALA MB 1 93 PHE H 4.530 . 4.530 3.495 3.406 3.633 . 0 0 "[ ]" 1
742 1 58 ALA MB 1 93 PHE HB2 3.610 . 3.610 3.689 3.307 4.084 0.474 1 0 "[ ]" 1
743 1 58 ALA MB 1 94 HIS H 5.350 . 5.350 4.964 4.692 5.174 . 0 0 "[ ]" 1
744 1 58 ALA MB 1 99 CYS HB2 3.700 . 3.700 3.311 2.338 4.019 0.319 2 0 "[ ]" 1
745 1 60 ASN H 1 60 ASN HB2 4.010 . 4.010 2.618 2.470 2.718 . 0 0 "[ ]" 1
746 1 60 ASN H 1 61 VAL H 4.720 . 4.720 3.726 3.593 3.800 . 0 0 "[ ]" 1
747 1 60 ASN H 1 62 ILE MD 4.760 . 4.760 4.525 4.509 4.545 . 0 0 "[ ]" 1
748 1 60 ASN HA 1 61 VAL HA 4.680 . 4.680 4.503 4.473 4.530 . 0 0 "[ ]" 1
749 1 60 ASN HA 1 61 VAL MG1 3.980 . 3.980 3.487 3.447 3.542 . 0 0 "[ ]" 1
750 1 60 ASN HA 1 62 ILE MD 3.990 . 3.990 4.098 4.029 4.133 0.143 3 0 "[ ]" 1
751 1 60 ASN HA 1 89 MET ME 5.230 . 5.230 3.491 2.484 4.138 . 0 0 "[ ]" 1
752 1 60 ASN HB2 1 62 ILE MD 3.630 . 3.630 3.301 3.212 3.442 . 0 0 "[ ]" 1
753 1 60 ASN HB3 1 61 VAL H 5.040 . 5.040 4.113 3.994 4.194 . 0 0 "[ ]" 1
754 1 60 ASN HB3 1 62 ILE MD 3.650 . 3.650 2.201 2.164 2.255 . 0 0 "[ ]" 1
755 1 60 ASN HB3 1 62 ILE MG 4.660 . 4.660 4.982 4.975 4.990 0.330 2 0 "[ ]" 1
756 1 61 VAL H 1 61 VAL HB 4.120 . 4.120 2.653 2.534 2.738 . 0 0 "[ ]" 1
757 1 61 VAL H 1 61 VAL MG1 3.490 . 3.490 2.010 1.977 2.061 . 0 0 "[ ]" 1
758 1 61 VAL H 1 62 ILE H 5.500 . 5.500 4.296 4.210 4.454 . 0 0 "[ ]" 1
759 1 61 VAL H 1 62 ILE MD 5.310 . 5.310 4.391 4.149 4.527 . 0 0 "[ ]" 1
760 1 61 VAL H 1 86 GLN HA 5.500 . 5.500 4.654 4.218 5.070 . 0 0 "[ ]" 1
761 1 61 VAL H 1 86 GLN HG3 5.500 . 5.500 4.767 3.778 5.572 0.072 1 0 "[ ]" 1
762 1 61 VAL H 1 89 MET QG 4.860 . 4.860 4.065 3.248 4.655 . 0 0 "[ ]" 1
763 1 61 VAL HA 1 89 MET ME 3.950 . 3.950 3.589 3.139 3.986 0.036 1 0 "[ ]" 1
764 1 61 VAL HB 1 62 ILE MD 5.500 . 5.500 5.688 5.417 5.842 0.342 1 0 "[ ]" 1
765 1 61 VAL HB 1 86 GLN H 5.500 . 5.500 5.428 5.084 5.688 0.188 1 0 "[ ]" 1
766 1 61 VAL MG1 1 62 ILE H 4.180 . 4.180 4.177 4.073 4.241 0.061 1 0 "[ ]" 1
767 1 61 VAL MG1 1 85 PHE HA 4.940 . 4.940 4.883 4.784 5.010 0.070 2 0 "[ ]" 1
768 1 61 VAL MG1 1 85 PHE HB2 4.500 . 4.500 4.648 4.617 4.678 0.178 1 0 "[ ]" 1
769 1 61 VAL MG1 1 85 PHE HB3 3.820 . 3.820 3.151 3.081 3.225 . 0 0 "[ ]" 1
770 1 61 VAL MG1 1 85 PHE QD 4.040 . 4.040 2.313 2.094 2.683 . 0 0 "[ ]" 1
771 1 61 VAL MG1 1 86 GLN H 4.550 . 4.550 3.207 2.968 3.409 . 0 0 "[ ]" 1
772 1 61 VAL MG1 1 86 GLN HA 3.360 . 3.360 2.217 2.091 2.343 . 0 0 "[ ]" 1
773 1 61 VAL MG1 1 86 GLN HB3 5.500 . 5.500 3.698 3.487 3.804 . 0 0 "[ ]" 1
774 1 61 VAL MG1 1 89 MET HB2 5.210 . 5.210 3.717 3.198 4.723 . 0 0 "[ ]" 1
775 1 61 VAL MG1 1 89 MET ME 2.750 . 2.750 2.766 2.528 2.931 0.181 1 0 "[ ]" 1
776 1 61 VAL MG2 1 62 ILE H 3.740 . 3.740 3.183 3.007 3.302 . 0 0 "[ ]" 1
777 1 61 VAL MG2 1 63 GLU H 4.190 . 4.190 2.753 2.688 2.797 . 0 0 "[ ]" 1
778 1 61 VAL MG2 1 82 GLN HA 3.820 . 3.820 3.385 3.173 3.517 . 0 0 "[ ]" 1
779 1 61 VAL MG2 1 82 GLN HG2 3.590 . 3.590 3.210 2.397 3.769 0.179 1 0 "[ ]" 1
780 1 61 VAL MG2 1 85 PHE HB2 3.860 . 3.860 3.678 3.523 3.946 0.086 2 0 "[ ]" 1
781 1 61 VAL MG2 1 85 PHE HB3 3.630 . 3.630 2.563 2.294 2.866 . 0 0 "[ ]" 1
782 1 61 VAL MG2 1 85 PHE QD 4.730 . 4.730 2.458 2.253 2.621 . 0 0 "[ ]" 1
783 1 61 VAL MG2 1 89 MET ME 5.500 . 5.500 3.909 3.575 4.394 . 0 0 "[ ]" 1
784 1 62 ILE H 1 62 ILE HB 3.730 . 3.730 2.638 2.609 2.692 . 0 0 "[ ]" 1
785 1 62 ILE H 1 62 ILE MD 3.650 . 3.650 2.878 2.845 2.915 . 0 0 "[ ]" 1
786 1 62 ILE H 1 62 ILE HG12 3.890 . 3.890 2.043 1.968 2.173 . 0 0 "[ ]" 1
787 1 62 ILE H 1 62 ILE HG13 4.040 . 4.040 3.588 3.526 3.702 . 0 0 "[ ]" 1
788 1 62 ILE H 1 62 ILE MG 3.770 . 3.770 3.766 3.745 3.807 0.037 2 0 "[ ]" 1
789 1 62 ILE H 1 63 GLU H 3.200 . 3.200 2.491 2.227 2.655 . 0 0 "[ ]" 1
790 1 62 ILE HA 1 62 ILE MD 3.210 . 3.210 2.099 2.072 2.142 . 0 0 "[ ]" 1
791 1 62 ILE HA 1 62 ILE HG12 4.240 . 4.240 3.256 3.197 3.339 . 0 0 "[ ]" 1
792 1 62 ILE HA 1 62 ILE MG 3.190 . 3.190 2.280 2.265 2.296 . 0 0 "[ ]" 1
793 1 62 ILE HA 1 63 GLU H 3.460 . 3.460 3.541 3.516 3.562 0.102 1 0 "[ ]" 1
794 1 62 ILE HB 1 62 ILE MD 3.470 . 3.470 3.217 3.216 3.219 . 0 0 "[ ]" 1
795 1 62 ILE HB 1 63 GLU H 3.630 . 3.630 2.701 2.600 2.900 . 0 0 "[ ]" 1
796 1 62 ILE MD 1 63 GLU H 4.500 . 4.500 4.455 4.395 4.496 . 0 0 "[ ]" 1
797 1 62 ILE HG12 1 62 ILE MG 3.600 . 3.600 3.182 3.178 3.186 . 0 0 "[ ]" 1
798 1 62 ILE HG12 1 63 GLU H 4.190 . 4.190 4.013 3.985 4.052 . 0 0 "[ ]" 1
799 1 63 GLU H 1 63 GLU HB2 4.200 . 4.200 3.641 3.399 4.073 . 0 0 "[ ]" 1
800 1 63 GLU H 1 63 GLU HB3 4.080 . 4.080 3.367 3.171 3.607 . 0 0 "[ ]" 1
801 1 63 GLU H 1 64 VAL H 4.810 . 4.810 4.378 4.364 4.392 . 0 0 "[ ]" 1
802 1 63 GLU H 1 64 VAL HA 4.900 . 4.900 4.689 4.681 4.698 . 0 0 "[ ]" 1
803 1 63 GLU HA 1 64 VAL H 2.970 . 2.970 2.408 2.358 2.439 . 0 0 "[ ]" 1
804 1 63 GLU HB2 1 64 VAL H 3.830 . 3.830 3.397 2.362 3.916 0.086 2 0 "[ ]" 1
805 1 63 GLU HB3 1 64 VAL H 3.740 . 3.740 3.551 3.336 3.698 . 0 0 "[ ]" 1
806 1 64 VAL H 1 64 VAL HB 3.820 . 3.820 3.839 3.828 3.853 0.033 3 0 "[ ]" 1
807 1 64 VAL H 1 64 VAL MG2 3.690 . 3.690 2.216 2.198 2.244 . 0 0 "[ ]" 1
808 1 64 VAL H 1 65 GLY H 4.470 . 4.470 4.376 4.332 4.398 . 0 0 "[ ]" 1
809 1 64 VAL H 1 65 GLY HA2 5.500 . 5.500 4.873 4.802 4.914 . 0 0 "[ ]" 1
810 1 64 VAL H 1 82 GLN H 5.020 . 5.020 5.118 5.083 5.171 0.151 2 0 "[ ]" 1
811 1 64 VAL H 1 82 GLN HB2 5.220 . 5.220 3.990 3.639 4.439 . 0 0 "[ ]" 1
812 1 64 VAL H 1 82 GLN HG3 5.500 . 5.500 3.346 3.204 3.539 . 0 0 "[ ]" 1
813 1 64 VAL HA 1 64 VAL MG1 3.580 . 3.580 2.446 2.433 2.468 . 0 0 "[ ]" 1
814 1 64 VAL HA 1 64 VAL MG2 3.670 . 3.670 3.186 3.176 3.196 . 0 0 "[ ]" 1
815 1 64 VAL HA 1 65 GLY H 3.600 . 3.600 2.169 2.144 2.184 . 0 0 "[ ]" 1
816 1 64 VAL HB 1 65 GLY H 5.060 . 5.060 3.109 3.049 3.170 . 0 0 "[ ]" 1
817 1 64 VAL HB 1 82 GLN H 5.500 . 5.500 5.305 5.147 5.467 . 0 0 "[ ]" 1
818 1 64 VAL MG1 1 81 LEU HA 5.410 . 5.410 4.916 4.793 5.012 . 0 0 "[ ]" 1
819 1 64 VAL MG2 1 65 GLY H 4.800 . 4.800 3.630 3.608 3.669 . 0 0 "[ ]" 1
820 1 64 VAL MG2 1 79 LYS H 5.500 . 5.500 4.274 4.088 4.425 . 0 0 "[ ]" 1
821 1 64 VAL MG2 1 80 TYR H 4.450 . 4.450 4.809 4.633 4.913 0.463 1 0 "[ ]" 1
822 1 64 VAL MG2 1 81 LEU H 5.250 . 5.250 3.572 3.467 3.670 . 0 0 "[ ]" 1
823 1 64 VAL MG2 1 81 LEU HB3 4.870 . 4.870 2.748 2.467 3.040 . 0 0 "[ ]" 1
824 1 64 VAL MG2 1 82 GLN H 3.360 . 3.360 2.665 2.609 2.693 . 0 0 "[ ]" 1
825 1 64 VAL MG2 1 82 GLN HA 3.720 . 3.720 3.234 3.105 3.457 . 0 0 "[ ]" 1
826 1 64 VAL MG2 1 82 GLN HG2 3.920 . 3.920 3.166 2.753 3.900 . 0 0 "[ ]" 1
827 1 64 VAL MG2 1 82 GLN HG3 3.970 . 3.970 3.758 3.578 4.019 0.049 2 0 "[ ]" 1
828 1 64 VAL MG2 1 83 HIS H 5.000 . 5.000 4.939 4.884 5.027 0.027 2 0 "[ ]" 1
829 1 65 GLY H 1 66 VAL H 4.430 . 4.430 4.454 4.429 4.501 0.071 2 0 "[ ]" 1
830 1 65 GLY H 1 78 THR HA 5.500 . 5.500 5.683 5.638 5.750 0.250 2 0 "[ ]" 1
831 1 65 GLY HA2 1 66 VAL H 3.540 . 3.540 2.336 2.201 2.492 . 0 0 "[ ]" 1
832 1 65 GLY HA2 1 66 VAL HB 4.610 . 4.610 4.238 4.118 4.309 . 0 0 "[ ]" 1
833 1 65 GLY HA2 1 78 THR MG 5.040 . 5.040 2.355 2.113 2.790 . 0 0 "[ ]" 1
834 1 65 GLY HA3 1 66 VAL H 3.460 . 3.460 2.794 2.639 2.957 . 0 0 "[ ]" 1
835 1 65 GLY HA3 1 78 THR MG 4.650 . 4.650 3.777 3.529 4.225 . 0 0 "[ ]" 1
836 1 66 VAL H 1 66 VAL HB 3.330 . 3.330 3.201 3.080 3.324 . 0 0 "[ ]" 1
837 1 66 VAL H 1 66 VAL MG1 3.240 . 3.240 2.153 2.092 2.213 . 0 0 "[ ]" 1
838 1 66 VAL H 1 78 THR MG 4.060 . 4.060 3.044 2.663 3.691 . 0 0 "[ ]" 1
839 1 66 VAL HA 1 66 VAL MG1 3.430 . 3.430 3.183 3.182 3.185 . 0 0 "[ ]" 1
840 1 66 VAL HA 1 66 VAL MG2 3.680 . 3.680 2.352 2.296 2.445 . 0 0 "[ ]" 1
841 1 66 VAL HA 1 67 CYS H 3.340 . 3.340 2.213 2.118 2.390 . 0 0 "[ ]" 1
842 1 66 VAL HA 1 67 CYS HB2 4.430 . 4.430 4.411 4.232 4.545 0.115 2 0 "[ ]" 1
843 1 66 VAL HB 1 67 CYS H 3.850 . 3.850 3.945 3.616 4.150 0.300 3 0 "[ ]" 1
844 1 66 VAL HB 1 78 THR MG 4.260 . 4.260 3.398 3.076 3.845 . 0 0 "[ ]" 1
845 1 66 VAL MG1 1 67 CYS H 3.850 . 3.850 3.682 3.536 3.841 . 0 0 "[ ]" 1
846 1 66 VAL MG1 1 76 TYR QD 4.350 . 4.350 4.124 3.443 4.582 0.232 2 0 "[ ]" 1
847 1 66 VAL MG1 1 76 TYR QE 4.180 . 4.180 3.279 2.365 4.255 0.075 2 0 "[ ]" 1
848 1 66 VAL MG1 1 77 ASP HA 4.600 . 4.600 4.273 3.912 4.490 . 0 0 "[ ]" 1
849 1 66 VAL MG1 1 78 THR HA 4.400 . 4.400 4.215 3.830 4.412 0.012 3 0 "[ ]" 1
850 1 66 VAL MG1 1 78 THR MG 3.390 . 3.390 2.408 2.331 2.497 . 0 0 "[ ]" 1
851 1 66 VAL MG2 1 67 CYS H 3.280 . 3.280 2.142 1.706 2.414 0.094 2 0 "[ ]" 1
852 1 66 VAL MG2 1 67 CYS HA 5.290 . 5.290 3.938 3.793 4.064 . 0 0 "[ ]" 1
853 1 66 VAL MG2 1 67 CYS HB2 4.460 . 4.460 3.705 3.101 4.025 . 0 0 "[ ]" 1
854 1 66 VAL MG2 1 67 CYS HB3 5.240 . 5.240 4.219 2.860 4.975 . 0 0 "[ ]" 1
855 1 67 CYS H 1 67 CYS HB2 3.440 . 3.440 2.294 2.231 2.393 . 0 0 "[ ]" 1
856 1 67 CYS H 1 67 CYS HB3 3.540 . 3.540 3.313 2.801 3.612 0.072 3 0 "[ ]" 1
857 1 67 CYS HB2 1 68 THR H 4.730 . 4.730 4.221 3.898 4.416 . 0 0 "[ ]" 1
858 1 67 CYS HB2 1 68 THR MG 5.470 . 5.470 5.067 4.680 5.634 0.164 3 0 "[ ]" 1
859 1 67 CYS HB3 1 68 THR H 4.330 . 4.330 3.473 3.442 3.514 . 0 0 "[ ]" 1
860 1 68 THR H 1 68 THR HB 3.960 . 3.960 3.459 2.735 3.859 . 0 0 "[ ]" 1
861 1 68 THR H 1 68 THR MG 3.640 . 3.640 2.675 1.880 3.805 0.165 3 0 "[ ]" 1
862 1 68 THR H 1 69 SER HA 5.500 . 5.500 5.065 4.257 5.662 0.162 2 0 "[ ]" 1
863 1 68 THR HA 1 68 THR MG 3.660 . 3.660 2.831 2.199 3.180 . 0 0 "[ ]" 1
864 1 68 THR MG 1 69 SER H 5.500 . 5.500 3.114 1.796 4.033 0.004 1 0 "[ ]" 1
865 1 69 SER HA 1 69 SER HB2 3.040 . 3.040 2.433 2.361 2.471 . 0 0 "[ ]" 1
866 1 69 SER HA 1 69 SER HB3 3.050 . 3.050 3.022 3.011 3.029 . 0 0 "[ ]" 1
867 1 70 LEU H 1 70 LEU MD1 3.950 . 3.950 4.067 4.008 4.103 0.153 1 0 "[ ]" 1
868 1 70 LEU H 1 70 LEU HG 4.620 . 4.620 3.416 2.560 4.637 0.017 1 0 "[ ]" 1
869 1 71 ALA MB 1 72 LYS H 3.640 . 3.640 2.917 2.564 3.150 . 0 0 "[ ]" 1
870 1 71 ALA MB 1 73 ARG H 4.670 . 4.670 4.391 4.121 4.617 . 0 0 "[ ]" 1
871 1 72 LYS H 1 72 LYS QD 4.930 . 4.930 2.874 1.817 4.361 . 0 0 "[ ]" 1
872 1 72 LYS H 1 72 LYS QG 3.870 . 3.870 2.850 1.822 3.934 0.064 1 0 "[ ]" 1
873 1 72 LYS H 1 73 ARG H 5.500 . 5.500 2.460 2.165 2.638 . 0 0 "[ ]" 1
874 1 72 LYS HA 1 72 LYS QG 3.880 . 3.880 2.675 2.365 3.154 . 0 0 "[ ]" 1
875 1 72 LYS HA 1 73 ARG H 3.590 . 3.590 3.375 3.271 3.515 . 0 0 "[ ]" 1
876 1 72 LYS HA 1 75 LEU MD1 4.070 . 4.070 2.709 2.308 3.054 . 0 0 "[ ]" 1
877 1 72 LYS QD 1 73 ARG H 3.940 . 3.940 4.135 3.694 4.422 0.482 1 0 "[ ]" 1
878 1 72 LYS QG 1 73 ARG H 4.190 . 4.190 4.032 3.805 4.353 0.163 2 0 "[ ]" 1
879 1 73 ARG H 1 73 ARG HB2 3.680 . 3.680 3.228 2.511 3.602 . 0 0 "[ ]" 1
880 1 73 ARG H 1 74 ASP H 3.490 . 3.490 2.722 2.647 2.803 . 0 0 "[ ]" 1
881 1 73 ARG H 1 75 LEU MD1 5.500 . 5.500 4.941 4.788 5.229 . 0 0 "[ ]" 1
882 1 73 ARG HA 1 73 ARG HD2 4.030 . 4.030 3.856 2.948 4.587 0.557 2 1 "[ + ]" 1
883 1 73 ARG HB2 1 74 ASP H 4.110 . 4.110 3.654 2.584 4.197 0.087 2 0 "[ ]" 1
884 1 73 ARG HD2 1 74 ASP H 5.500 . 5.500 4.797 3.490 5.577 0.077 3 0 "[ ]" 1
885 1 74 ASP H 1 74 ASP HB2 3.340 . 3.340 2.427 2.375 2.493 . 0 0 "[ ]" 1
886 1 74 ASP H 1 75 LEU H 4.090 . 4.090 2.632 2.603 2.668 . 0 0 "[ ]" 1
887 1 74 ASP H 1 75 LEU MD1 5.090 . 5.090 4.015 3.438 5.048 . 0 0 "[ ]" 1
888 1 74 ASP HA 1 74 ASP HB2 3.030 . 3.030 2.841 2.484 3.022 . 0 0 "[ ]" 1
889 1 74 ASP HA 1 74 ASP HB3 2.920 . 2.920 2.689 2.516 3.017 0.097 3 0 "[ ]" 1
890 1 74 ASP HA 1 75 LEU H 3.370 . 3.370 3.467 3.430 3.518 0.148 3 0 "[ ]" 1
891 1 74 ASP HB2 1 75 LEU H 4.010 . 4.010 3.337 3.023 3.828 . 0 0 "[ ]" 1
892 1 74 ASP HB3 1 75 LEU H 3.870 . 3.870 3.472 2.578 3.941 0.071 2 0 "[ ]" 1
893 1 74 ASP HB3 1 75 LEU MD1 4.460 . 4.460 3.953 3.582 4.548 0.088 3 0 "[ ]" 1
894 1 75 LEU H 1 75 LEU HB2 4.080 . 4.080 2.283 2.210 2.404 . 0 0 "[ ]" 1
895 1 75 LEU H 1 75 LEU HB3 4.090 . 4.090 3.536 3.513 3.569 . 0 0 "[ ]" 1
896 1 75 LEU H 1 75 LEU HG 3.960 . 3.960 3.352 2.242 3.932 . 0 0 "[ ]" 1
897 1 75 LEU H 1 76 TYR HB3 5.500 . 5.500 5.732 5.720 5.742 0.242 3 0 "[ ]" 1
898 1 75 LEU HA 1 75 LEU HG 3.990 . 3.990 2.537 2.359 2.869 . 0 0 "[ ]" 1
899 1 75 LEU HB2 1 76 TYR QD 5.140 . 5.140 3.215 3.073 3.370 . 0 0 "[ ]" 1
900 1 75 LEU HB3 1 76 TYR H 4.760 . 4.760 3.499 3.437 3.591 . 0 0 "[ ]" 1
901 1 75 LEU HB3 1 76 TYR QD 5.380 . 5.380 2.420 2.320 2.563 . 0 0 "[ ]" 1
902 1 75 LEU HB3 1 76 TYR QE 5.140 . 5.140 3.305 3.115 3.661 . 0 0 "[ ]" 1
903 1 75 LEU MD1 1 76 TYR H 4.840 . 4.840 4.218 4.047 4.468 . 0 0 "[ ]" 1
904 1 76 TYR H 1 76 TYR HB2 3.980 . 3.980 3.915 3.821 3.982 0.002 3 0 "[ ]" 1
905 1 76 TYR H 1 76 TYR QD 4.460 . 4.460 3.283 3.140 3.380 . 0 0 "[ ]" 1
906 1 76 TYR H 1 76 TYR QE 4.950 . 4.950 4.312 4.120 4.451 . 0 0 "[ ]" 1
907 1 76 TYR H 1 77 ASP H 4.800 . 4.800 4.360 4.332 4.404 . 0 0 "[ ]" 1
908 1 76 TYR HA 1 76 TYR QD 4.190 . 4.190 3.695 3.693 3.696 . 0 0 "[ ]" 1
909 1 76 TYR HA 1 77 ASP HB3 5.270 . 5.270 5.240 4.721 5.502 0.232 3 0 "[ ]" 1
910 1 76 TYR HB2 1 77 ASP H 5.500 . 5.500 2.037 1.808 2.430 . 0 0 "[ ]" 1
911 1 76 TYR HB2 1 81 LEU MD2 3.700 . 3.700 2.250 2.192 2.305 . 0 0 "[ ]" 1
912 1 76 TYR HB3 1 81 LEU H 5.500 . 5.500 5.724 5.670 5.771 0.271 3 0 "[ ]" 1
913 1 76 TYR QD 1 77 ASP H 5.440 . 5.440 3.090 2.784 3.698 . 0 0 "[ ]" 1
914 1 76 TYR QD 1 80 TYR HB3 4.000 . 6.000 5.106 4.683 5.420 . 0 0 "[ ]" 1
915 1 76 TYR QD 1 81 LEU H 5.500 . 5.500 5.171 4.951 5.575 0.075 2 0 "[ ]" 1
916 1 76 TYR QD 1 81 LEU MD2 4.760 . 4.760 3.241 3.077 3.551 . 0 0 "[ ]" 1
917 1 77 ASP H 1 78 THR H 5.400 . 5.400 4.395 4.378 4.420 . 0 0 "[ ]" 1
918 1 77 ASP H 1 78 THR MG 5.500 . 5.500 5.571 5.566 5.575 0.075 2 0 "[ ]" 1
919 1 77 ASP H 1 79 LYS H 5.500 . 5.500 5.222 5.063 5.378 . 0 0 "[ ]" 1
920 1 77 ASP H 1 80 TYR H 5.500 . 5.500 3.709 3.612 3.806 . 0 0 "[ ]" 1
921 1 77 ASP H 1 80 TYR HA 5.500 . 5.500 5.116 5.024 5.163 . 0 0 "[ ]" 1
922 1 77 ASP H 1 80 TYR QD 5.050 . 5.050 3.432 2.617 3.868 . 0 0 "[ ]" 1
923 1 77 ASP HA 1 78 THR H 3.360 . 3.360 2.405 2.368 2.428 . 0 0 "[ ]" 1
924 1 77 ASP HA 1 78 THR HA 4.400 . 4.400 4.287 4.277 4.298 . 0 0 "[ ]" 1
925 1 77 ASP HA 1 78 THR MG 4.130 . 4.130 3.732 3.602 3.801 . 0 0 "[ ]" 1
926 1 77 ASP HB2 1 78 THR H 4.550 . 4.550 3.542 3.328 3.835 . 0 0 "[ ]" 1
927 1 77 ASP HB3 1 78 THR H 4.950 . 4.950 2.781 2.499 3.327 . 0 0 "[ ]" 1
928 1 78 THR H 1 78 THR MG 3.490 . 3.490 2.137 2.002 2.206 . 0 0 "[ ]" 1
929 1 78 THR H 1 79 LYS H 3.850 . 3.850 2.788 2.718 2.874 . 0 0 "[ ]" 1
930 1 78 THR H 1 80 TYR H 4.720 . 4.720 4.219 4.143 4.304 . 0 0 "[ ]" 1
931 1 78 THR HA 1 78 THR MG 3.160 . 3.160 2.258 2.235 2.302 . 0 0 "[ ]" 1
932 1 78 THR HA 1 80 TYR H 5.500 . 5.500 4.451 4.358 4.506 . 0 0 "[ ]" 1
933 1 78 THR HA 1 81 LEU H 4.490 . 4.490 3.910 3.856 3.945 . 0 0 "[ ]" 1
934 1 78 THR MG 1 79 LYS H 5.080 . 5.080 3.848 3.774 3.898 . 0 0 "[ ]" 1
935 1 78 THR MG 1 81 LEU H 5.500 . 5.500 5.530 5.489 5.553 0.053 3 0 "[ ]" 1
936 1 79 LYS H 1 79 LYS HB2 3.640 . 3.640 3.243 2.584 3.572 . 0 0 "[ ]" 1
937 1 79 LYS H 1 79 LYS QD 3.730 . 3.730 3.470 3.295 3.600 . 0 0 "[ ]" 1
938 1 79 LYS H 1 79 LYS HG2 3.590 . 3.590 2.486 1.771 3.578 0.029 1 0 "[ ]" 1
939 1 79 LYS H 1 79 LYS HG3 3.580 . 3.580 2.877 2.104 3.601 0.021 2 0 "[ ]" 1
940 1 79 LYS H 1 80 TYR H 3.300 . 3.300 2.736 2.665 2.776 . 0 0 "[ ]" 1
941 1 79 LYS H 1 82 GLN H 4.940 . 4.940 4.683 4.676 4.691 . 0 0 "[ ]" 1
942 1 79 LYS H 1 82 GLN HB2 5.500 . 5.500 4.381 4.336 4.425 . 0 0 "[ ]" 1
943 1 79 LYS HB2 1 79 LYS HG2 3.050 . 3.050 2.982 2.938 3.033 . 0 0 "[ ]" 1
944 1 79 LYS HB2 1 79 LYS HG3 2.920 . 2.920 2.542 2.294 2.854 . 0 0 "[ ]" 1
945 1 79 LYS HB2 1 80 TYR H 3.670 . 3.670 3.184 2.414 3.676 0.006 2 0 "[ ]" 1
946 1 79 LYS QD 1 79 LYS QE 2.400 . 2.400 2.103 2.097 2.107 . 0 0 "[ ]" 1
947 1 79 LYS QD 1 79 LYS HG2 2.400 . 2.400 2.266 2.189 2.417 0.017 2 0 "[ ]" 1
948 1 79 LYS QD 1 79 LYS HG3 2.560 . 2.560 2.332 2.182 2.450 . 0 0 "[ ]" 1
949 1 79 LYS QD 1 80 TYR H 3.810 . 3.810 4.059 3.947 4.257 0.447 3 0 "[ ]" 1
950 1 79 LYS QE 1 79 LYS HG2 3.560 . 3.560 2.942 2.244 3.309 . 0 0 "[ ]" 1
951 1 79 LYS QE 1 79 LYS HG3 3.520 . 3.520 2.626 2.261 3.315 . 0 0 "[ ]" 1
952 1 79 LYS QE 1 80 TYR H 3.700 . 3.700 3.489 2.988 3.810 0.110 1 0 "[ ]" 1
953 1 79 LYS QE 1 82 GLN HB2 5.500 . 5.500 5.684 5.554 5.827 0.327 1 0 "[ ]" 1
954 1 79 LYS HG3 1 80 TYR H 4.090 . 4.090 2.969 1.879 4.237 0.147 3 0 "[ ]" 1
955 1 80 TYR H 1 80 TYR QD 4.980 . 4.980 3.616 3.042 3.957 . 0 0 "[ ]" 1
956 1 80 TYR H 1 81 LEU H 3.920 . 3.920 2.916 2.885 2.939 . 0 0 "[ ]" 1
957 1 80 TYR H 1 82 GLN H 4.290 . 4.290 3.881 3.822 3.952 . 0 0 "[ ]" 1
958 1 80 TYR H 1 82 GLN HB2 5.500 . 5.500 4.581 4.434 4.672 . 0 0 "[ ]" 1
959 1 80 TYR H 1 83 HIS H 5.090 . 5.090 4.873 4.767 4.952 . 0 0 "[ ]" 1
960 1 80 TYR H 1 83 HIS HB2 5.500 . 5.500 5.595 5.569 5.625 0.125 1 0 "[ ]" 1
961 1 80 TYR HA 1 80 TYR QD 3.590 . 3.590 2.443 2.401 2.489 . 0 0 "[ ]" 1
962 1 80 TYR HA 1 82 GLN H 4.050 . 4.050 4.278 4.192 4.361 0.311 3 0 "[ ]" 1
963 1 80 TYR HA 1 83 HIS H 4.870 . 4.870 3.613 3.557 3.696 . 0 0 "[ ]" 1
964 1 80 TYR HA 1 83 HIS HB2 4.550 . 4.550 3.387 3.218 3.638 . 0 0 "[ ]" 1
965 1 80 TYR HB2 1 81 LEU H 5.090 . 5.090 3.095 2.492 3.441 . 0 0 "[ ]" 1
966 1 80 TYR HB3 1 84 LEU MD2 5.500 . 5.500 4.547 3.927 5.011 . 0 0 "[ ]" 1
967 1 81 LEU H 1 81 LEU MD2 5.200 . 5.200 1.872 1.843 1.916 . 0 0 "[ ]" 1
968 1 81 LEU H 1 81 LEU HG 5.420 . 5.420 3.788 3.756 3.835 . 0 0 "[ ]" 1
969 1 81 LEU H 1 82 GLN H 3.730 . 3.730 2.639 2.592 2.675 . 0 0 "[ ]" 1
970 1 81 LEU H 1 82 GLN HB2 4.300 . 4.300 4.424 4.386 4.449 0.149 2 0 "[ ]" 1
971 1 81 LEU H 1 83 HIS H 4.660 . 4.660 4.278 4.243 4.297 . 0 0 "[ ]" 1
972 1 81 LEU H 1 84 LEU H 5.500 . 5.500 5.063 4.964 5.181 . 0 0 "[ ]" 1
973 1 81 LEU HA 1 81 LEU MD2 3.480 . 3.480 2.270 2.263 2.279 . 0 0 "[ ]" 1
974 1 81 LEU HA 1 83 HIS H 4.660 . 4.660 4.089 4.060 4.125 . 0 0 "[ ]" 1
975 1 81 LEU HA 1 84 LEU H 4.490 . 4.490 3.335 3.266 3.433 . 0 0 "[ ]" 1
976 1 81 LEU HA 1 84 LEU HG 3.810 . 3.810 2.179 2.155 2.196 . 0 0 "[ ]" 1
977 1 81 LEU HA 1 85 PHE H 4.120 . 4.120 3.735 3.714 3.767 . 0 0 "[ ]" 1
978 1 81 LEU HB2 1 82 GLN H 5.120 . 5.120 2.946 2.859 3.008 . 0 0 "[ ]" 1
979 1 81 LEU HB3 1 84 LEU HG 4.330 . 4.330 4.549 4.453 4.619 0.289 1 0 "[ ]" 1
980 1 82 GLN H 1 82 GLN HB2 3.620 . 3.620 2.056 2.020 2.121 . 0 0 "[ ]" 1
981 1 82 GLN H 1 82 GLN HB3 3.520 . 3.520 3.000 2.734 3.248 . 0 0 "[ ]" 1
982 1 82 GLN H 1 82 GLN HG2 3.660 . 3.660 3.837 3.585 4.106 0.446 2 0 "[ ]" 1
983 1 82 GLN H 1 82 GLN HG3 3.880 . 3.880 4.263 4.099 4.354 0.474 2 0 "[ ]" 1
984 1 82 GLN H 1 83 HIS H 3.510 . 3.510 2.751 2.716 2.802 . 0 0 "[ ]" 1
985 1 82 GLN H 1 84 LEU H 4.390 . 4.390 4.393 4.308 4.455 0.065 2 0 "[ ]" 1
986 1 82 GLN H 1 84 LEU HG 4.500 . 4.500 4.578 4.542 4.630 0.130 3 0 "[ ]" 1
987 1 82 GLN H 1 85 PHE H 5.280 . 5.280 4.769 4.694 4.812 . 0 0 "[ ]" 1
988 1 82 GLN HA 1 82 GLN HG2 3.650 . 3.650 2.274 2.237 2.324 . 0 0 "[ ]" 1
989 1 82 GLN HA 1 82 GLN HG3 3.690 . 3.690 3.538 3.523 3.549 . 0 0 "[ ]" 1
990 1 82 GLN HA 1 85 PHE H 4.620 . 4.620 3.843 3.745 3.903 . 0 0 "[ ]" 1
991 1 82 GLN HB2 1 83 HIS H 4.400 . 4.400 3.444 3.167 3.689 . 0 0 "[ ]" 1
992 1 82 GLN HB3 1 83 HIS H 4.010 . 4.010 2.792 2.684 2.925 . 0 0 "[ ]" 1
993 1 83 HIS H 1 83 HIS HB2 3.450 . 3.450 2.271 2.153 2.399 . 0 0 "[ ]" 1
994 1 83 HIS H 1 83 HIS HB3 3.590 . 3.590 3.207 2.614 3.528 . 0 0 "[ ]" 1
995 1 83 HIS H 1 84 LEU H 3.500 . 3.500 2.622 2.602 2.639 . 0 0 "[ ]" 1
996 1 83 HIS H 1 84 LEU MD2 3.580 . 3.580 3.629 3.577 3.659 0.079 1 0 "[ ]" 1
997 1 83 HIS H 1 84 LEU HG 4.890 . 4.890 3.679 3.656 3.716 . 0 0 "[ ]" 1
998 1 83 HIS H 1 85 PHE H 4.130 . 4.130 4.075 3.987 4.136 0.006 2 0 "[ ]" 1
999 1 83 HIS H 1 85 PHE HB3 5.160 . 5.160 5.319 5.115 5.451 0.291 3 0 "[ ]" 1
1000 1 83 HIS H 1 86 GLN H 4.860 . 4.860 4.733 4.705 4.774 . 0 0 "[ ]" 1
1001 1 83 HIS HA 1 86 GLN H 5.500 . 5.500 3.744 3.690 3.799 . 0 0 "[ ]" 1
1002 1 83 HIS HB2 1 84 LEU H 4.030 . 4.030 2.930 2.570 3.636 . 0 0 "[ ]" 1
1003 1 83 HIS HB2 1 84 LEU MD2 3.670 . 3.670 2.764 2.300 3.677 0.007 2 0 "[ ]" 1
1004 1 83 HIS HB3 1 84 LEU H 4.110 . 4.110 2.941 2.336 3.365 . 0 0 "[ ]" 1
1005 1 84 LEU H 1 84 LEU MD2 4.480 . 4.480 2.007 1.934 2.092 . 0 0 "[ ]" 1
1006 1 84 LEU H 1 84 LEU HG 4.120 . 4.120 1.709 1.691 1.728 0.109 2 0 "[ ]" 1
1007 1 84 LEU H 1 85 PHE H 3.700 . 3.700 2.651 2.633 2.679 . 0 0 "[ ]" 1
1008 1 84 LEU H 1 86 GLN H 4.750 . 4.750 4.262 4.238 4.289 . 0 0 "[ ]" 1
1009 1 84 LEU H 1 87 GLU QB 5.500 . 5.500 4.647 4.455 4.861 . 0 0 "[ ]" 1
1010 1 84 LEU HA 1 84 LEU MD2 3.380 . 3.380 2.315 2.252 2.413 . 0 0 "[ ]" 1
1011 1 84 LEU HA 1 84 LEU HG 3.740 . 3.740 3.517 3.476 3.566 . 0 0 "[ ]" 1
1012 1 84 LEU HA 1 87 GLU H 4.940 . 4.940 3.374 3.354 3.395 . 0 0 "[ ]" 1
1013 1 84 LEU MD2 1 85 PHE H 3.760 . 3.760 4.040 4.004 4.077 0.317 1 0 "[ ]" 1
1014 1 84 LEU HG 1 85 PHE H 4.170 . 4.170 3.141 2.887 3.288 . 0 0 "[ ]" 1
1015 1 84 LEU HG 1 85 PHE HA 5.210 . 5.210 5.507 5.335 5.636 0.426 1 0 "[ ]" 1
1016 1 84 LEU HG 1 86 GLN H 5.500 . 5.500 5.513 5.348 5.607 0.107 3 0 "[ ]" 1
1017 1 85 PHE H 1 85 PHE HB3 4.150 . 4.150 2.827 2.758 2.958 . 0 0 "[ ]" 1
1018 1 85 PHE H 1 86 GLN H 3.690 . 3.690 2.826 2.747 2.924 . 0 0 "[ ]" 1
1019 1 85 PHE H 1 86 GLN HA 5.500 . 5.500 5.401 5.339 5.488 . 0 0 "[ ]" 1
1020 1 85 PHE H 1 87 GLU H 4.320 . 4.320 4.074 3.955 4.170 . 0 0 "[ ]" 1
1021 1 85 PHE H 1 87 GLU QG 5.500 . 5.500 5.698 5.440 5.862 0.362 1 0 "[ ]" 1
1022 1 85 PHE H 1 107 LEU MD1 5.500 . 5.500 5.490 5.283 5.648 0.148 3 0 "[ ]" 1
1023 1 85 PHE H 1 107 LEU MD2 4.000 . 6.500 6.474 6.027 6.803 0.303 3 0 "[ ]" 1
1024 1 85 PHE HA 1 107 LEU MD1 4.680 . 4.680 3.333 3.160 3.466 . 0 0 "[ ]" 1
1025 1 85 PHE HB2 1 86 GLN H 5.500 . 5.500 3.603 3.460 3.706 . 0 0 "[ ]" 1
1026 1 85 PHE HB2 1 88 VAL MG2 5.170 . 5.170 4.439 4.297 4.554 . 0 0 "[ ]" 1
1027 1 85 PHE HB2 1 103 PHE QE 4.000 . 6.000 5.786 5.385 6.103 0.103 3 0 "[ ]" 1
1028 1 85 PHE HB3 1 86 GLN H 4.680 . 4.680 2.444 2.395 2.530 . 0 0 "[ ]" 1
1029 1 85 PHE HB3 1 103 PHE QE 4.000 . 6.000 5.891 5.790 6.042 0.042 1 0 "[ ]" 1
1030 1 85 PHE QD 1 86 GLN H 5.500 . 5.500 3.649 3.361 4.099 . 0 0 "[ ]" 1
1031 1 85 PHE QD 1 88 VAL MG2 4.910 . 4.910 3.836 3.688 4.009 . 0 0 "[ ]" 1
1032 1 85 PHE QD 1 107 LEU MD1 4.000 . 6.000 3.261 3.020 3.637 . 0 0 "[ ]" 1
1033 1 85 PHE QD 1 107 LEU MD2 4.000 . 6.000 3.077 2.373 3.817 . 0 0 "[ ]" 1
1034 1 86 GLN H 1 87 GLU H 3.060 . 3.060 2.651 2.634 2.672 . 0 0 "[ ]" 1
1035 1 86 GLN H 1 87 GLU QB 5.500 . 5.500 4.360 4.251 4.530 . 0 0 "[ ]" 1
1036 1 86 GLN H 1 88 VAL H 4.520 . 4.520 4.572 4.518 4.601 0.081 2 0 "[ ]" 1
1037 1 86 GLN H 1 88 VAL MG2 4.940 . 4.940 4.424 4.252 4.703 . 0 0 "[ ]" 1
1038 1 86 GLN H 1 89 MET H 5.070 . 5.070 4.725 4.672 4.783 . 0 0 "[ ]" 1
1039 1 86 GLN HA 1 88 VAL H 5.500 . 5.500 4.915 4.837 5.003 . 0 0 "[ ]" 1
1040 1 86 GLN HA 1 89 MET H 5.450 . 5.450 3.725 3.582 3.898 . 0 0 "[ ]" 1
1041 1 86 GLN HB3 1 87 GLU H 3.510 . 3.510 2.954 2.603 3.621 0.111 1 0 "[ ]" 1
1042 1 87 GLU H 1 87 GLU QB 3.500 . 3.500 2.121 2.006 2.323 . 0 0 "[ ]" 1
1043 1 87 GLU H 1 87 GLU QG 3.250 . 3.250 3.184 2.350 3.617 0.367 1 0 "[ ]" 1
1044 1 87 GLU H 1 88 VAL H 3.160 . 3.160 2.866 2.816 2.909 . 0 0 "[ ]" 1
1045 1 87 GLU H 1 88 VAL MG2 4.950 . 4.950 4.004 3.816 4.327 . 0 0 "[ ]" 1
1046 1 87 GLU QB 1 88 VAL H 3.120 . 3.120 2.598 2.338 2.778 . 0 0 "[ ]" 1
1047 1 88 VAL H 1 88 VAL HB 4.140 . 4.140 3.606 3.590 3.615 . 0 0 "[ ]" 1
1048 1 88 VAL H 1 88 VAL MG2 3.720 . 3.720 2.136 2.002 2.396 . 0 0 "[ ]" 1
1049 1 88 VAL H 1 90 ASP QB 5.500 . 5.500 5.311 5.116 5.503 0.003 2 0 "[ ]" 1
1050 1 88 VAL H 1 107 LEU MD1 5.500 . 5.500 5.091 4.996 5.173 . 0 0 "[ ]" 1
1051 1 88 VAL HA 1 90 ASP H 5.500 . 5.500 4.807 4.570 4.948 . 0 0 "[ ]" 1
1052 1 88 VAL MG2 1 89 MET H 4.070 . 4.070 2.031 1.946 2.182 . 0 0 "[ ]" 1
1053 1 88 VAL MG2 1 90 ASP H 5.150 . 5.150 4.349 4.198 4.436 . 0 0 "[ ]" 1
1054 1 88 VAL MG2 1 91 SER H 5.500 . 5.500 4.750 4.654 4.802 . 0 0 "[ ]" 1
1055 1 88 VAL MG2 1 92 VAL H 5.500 . 5.500 5.574 5.526 5.657 0.157 3 0 "[ ]" 1
1056 1 88 VAL MG2 1 106 GLU QG 4.210 . 4.210 4.218 4.126 4.305 0.095 2 0 "[ ]" 1
1057 1 88 VAL MG2 1 107 LEU H 5.160 . 5.160 4.377 4.330 4.432 . 0 0 "[ ]" 1
1058 1 88 VAL MG2 1 107 LEU HA 3.830 . 3.830 3.954 3.870 4.079 0.249 2 0 "[ ]" 1
1059 1 88 VAL MG2 1 107 LEU MD1 3.010 . 3.010 2.092 2.013 2.151 . 0 0 "[ ]" 1
1060 1 89 MET H 1 89 MET ME 5.500 . 5.500 4.883 4.503 5.536 0.036 1 0 "[ ]" 1
1061 1 89 MET H 1 89 MET QG 4.260 . 4.260 4.011 3.966 4.037 . 0 0 "[ ]" 1
1062 1 89 MET H 1 90 ASP H 3.750 . 3.750 2.753 2.661 2.892 . 0 0 "[ ]" 1
1063 1 89 MET H 1 90 ASP QB 5.500 . 5.500 4.585 4.502 4.631 . 0 0 "[ ]" 1
1064 1 89 MET H 1 91 SER H 4.200 . 4.200 3.774 3.658 3.841 . 0 0 "[ ]" 1
1065 1 89 MET H 1 107 LEU MD1 5.500 . 5.500 4.523 4.228 4.829 . 0 0 "[ ]" 1
1066 1 89 MET HA 1 89 MET ME 5.390 . 5.390 4.236 3.929 4.521 . 0 0 "[ ]" 1
1067 1 89 MET HA 1 92 VAL QG . . 3.550 2.744 2.583 2.891 . 0 0 "[ ]" 1
1068 1 89 MET HB2 1 90 ASP H 5.280 . 5.280 3.695 3.580 3.758 . 0 0 "[ ]" 1
1069 1 89 MET ME 1 89 MET QG 3.460 . 3.460 2.186 2.107 2.250 . 0 0 "[ ]" 1
1070 1 89 MET ME 1 90 ASP H 5.500 . 5.500 4.824 3.470 5.617 0.117 1 0 "[ ]" 1
1071 1 89 MET ME 1 92 VAL QG 4.980 . 4.980 4.602 4.360 4.726 . 0 0 "[ ]" 1
1072 1 89 MET QG 1 90 ASP H 4.690 . 4.690 3.648 3.517 3.863 . 0 0 "[ ]" 1
1073 1 89 MET QG 1 92 VAL QG 4.990 . 4.990 3.231 3.059 3.374 . 0 0 "[ ]" 1
1074 1 90 ASP H 1 90 ASP QB 3.920 . 3.920 2.323 2.238 2.372 . 0 0 "[ ]" 1
1075 1 90 ASP H 1 91 SER H 3.460 . 3.460 2.586 2.536 2.639 . 0 0 "[ ]" 1
1076 1 90 ASP H 1 92 VAL H 5.180 . 5.180 4.407 4.192 4.553 . 0 0 "[ ]" 1
1077 1 90 ASP H 1 93 PHE H 5.500 . 5.500 5.152 4.843 5.694 0.194 2 0 "[ ]" 1
1078 1 90 ASP HA 1 93 PHE H 4.860 . 4.860 3.363 3.018 3.962 . 0 0 "[ ]" 1
1079 1 90 ASP HA 1 93 PHE HB3 5.130 . 5.130 3.780 3.691 3.843 . 0 0 "[ ]" 1
1080 1 90 ASP QB 1 91 SER H 4.200 . 4.200 2.904 2.851 2.944 . 0 0 "[ ]" 1
1081 1 91 SER H 1 91 SER HB3 4.150 . 4.150 3.166 2.283 3.612 . 0 0 "[ ]" 1
1082 1 91 SER H 1 92 VAL H 3.540 . 3.540 2.775 2.663 2.865 . 0 0 "[ ]" 1
1083 1 91 SER H 1 92 VAL QG 5.500 . 5.500 3.708 3.588 3.781 . 0 0 "[ ]" 1
1084 1 91 SER HA 1 94 HIS H 5.500 . 5.500 5.578 4.932 6.686 1.186 2 1 "[ + ]" 1
1085 1 91 SER HB2 1 92 VAL QG 5.310 . 5.310 3.408 2.681 3.818 . 0 0 "[ ]" 1
1086 1 92 VAL H 1 92 VAL QG . . 2.950 1.982 1.947 2.040 . 0 0 "[ ]" 1
1087 1 92 VAL H 1 103 PHE QB 5.390 . 5.390 4.807 4.574 5.067 . 0 0 "[ ]" 1
1088 1 92 VAL HA 1 94 HIS H 5.500 . 5.500 3.797 3.168 4.429 . 0 0 "[ ]" 1
1089 1 92 VAL HB 1 99 CYS HA 5.140 . 5.140 3.637 3.521 3.841 . 0 0 "[ ]" 1
1090 1 92 VAL HB 1 103 PHE H 5.500 . 5.500 4.224 3.827 4.823 . 0 0 "[ ]" 1
1091 1 92 VAL QG 1 93 PHE H 4.400 . 4.400 2.696 2.570 2.889 . 0 0 "[ ]" 1
1092 1 92 VAL QG 1 93 PHE HA 4.190 . 4.190 3.272 3.117 3.494 . 0 0 "[ ]" 1
1093 1 92 VAL QG 1 99 CYS H 5.330 . 5.330 4.848 4.771 4.940 . 0 0 "[ ]" 1
1094 1 92 VAL QG 1 99 CYS HA . . 4.230 3.730 3.448 3.888 . 0 0 "[ ]" 1
1095 1 92 VAL QG 1 99 CYS HB3 5.140 . 5.140 2.689 2.174 3.020 . 0 0 "[ ]" 1
1096 1 92 VAL QG 1 101 PHE QD 4.000 . 6.000 6.474 6.321 6.703 0.703 1 1 "[+ ]" 1
1097 1 92 VAL QG 1 102 ASP H 5.120 . 5.120 3.911 3.601 4.115 . 0 0 "[ ]" 1
1098 1 92 VAL QG 1 102 ASP HB3 4.640 . 4.640 3.609 2.619 4.385 . 0 0 "[ ]" 1
1099 1 92 VAL QG 1 103 PHE H 3.830 . 3.830 2.773 2.408 3.171 . 0 0 "[ ]" 1
1100 1 92 VAL QG 1 103 PHE HA 3.220 . 3.220 2.195 2.139 2.271 . 0 0 "[ ]" 1
1101 1 92 VAL QG 1 103 PHE QB 5.500 . 5.500 2.062 1.962 2.124 . 0 0 "[ ]" 1
1102 1 92 VAL QG 1 103 PHE QD 3.660 . 3.660 3.301 3.231 3.357 . 0 0 "[ ]" 1
1103 1 93 PHE H 1 93 PHE HB2 3.690 . 3.690 2.618 2.092 3.621 . 0 0 "[ ]" 1
1104 1 93 PHE H 1 93 PHE HB3 3.890 . 3.890 3.044 2.449 3.473 . 0 0 "[ ]" 1
1105 1 93 PHE H 1 94 HIS H 4.690 . 4.690 3.341 3.028 3.959 . 0 0 "[ ]" 1
1106 1 93 PHE H 1 94 HIS QB 5.500 . 5.500 5.358 4.948 5.686 0.186 2 0 "[ ]" 1
1107 1 93 PHE HA 1 94 HIS HD2 4.010 . 4.010 4.161 4.105 4.205 0.195 3 0 "[ ]" 1
1108 1 93 PHE HB2 1 94 HIS HD2 4.330 . 4.330 3.890 2.689 4.938 0.608 2 1 "[ + ]" 1
1109 1 94 HIS H 1 94 HIS QB 3.890 . 3.890 2.557 2.232 2.785 . 0 0 "[ ]" 1
1110 1 94 HIS H 1 94 HIS HD2 4.680 . 4.680 2.733 1.829 3.228 . 0 0 "[ ]" 1
1111 1 94 HIS H 1 95 ARG H 4.110 . 4.110 4.074 3.890 4.406 0.296 2 0 "[ ]" 1
1112 1 94 HIS HA 1 95 ARG H 3.270 . 3.270 2.457 2.341 2.619 . 0 0 "[ ]" 1
1113 1 94 HIS HA 1 95 ARG HA 4.490 . 4.490 4.450 4.424 4.464 . 0 0 "[ ]" 1
1114 1 94 HIS HA 1 95 ARG QD 4.920 . 4.920 4.011 2.684 4.764 . 0 0 "[ ]" 1
1115 1 94 HIS QB 1 95 ARG H 4.010 . 4.010 3.301 2.119 3.939 . 0 0 "[ ]" 1
1116 1 95 ARG H 1 95 ARG HB2 4.110 . 4.110 2.963 2.472 3.735 . 0 0 "[ ]" 1
1117 1 95 ARG H 1 95 ARG HB3 3.940 . 3.940 3.484 3.392 3.667 . 0 0 "[ ]" 1
1118 1 95 ARG H 1 95 ARG QD 3.610 . 3.610 3.002 2.416 3.698 0.088 3 0 "[ ]" 1
1119 1 95 ARG H 1 96 GLY H 4.430 . 4.430 4.307 4.203 4.371 . 0 0 "[ ]" 1
1120 1 95 ARG H 1 96 GLY HA2 5.500 . 5.500 5.011 4.596 5.730 0.230 2 0 "[ ]" 1
1121 1 95 ARG HA 1 96 GLY H 3.600 . 3.600 2.567 2.064 2.876 . 0 0 "[ ]" 1
1122 1 95 ARG HA 1 97 SER H 4.540 . 4.540 4.256 3.587 4.851 0.311 3 0 "[ ]" 1
1123 1 95 ARG HB2 1 95 ARG QD 2.680 . 2.680 2.503 2.248 2.736 0.056 1 0 "[ ]" 1
1124 1 95 ARG HB2 1 96 GLY H 4.270 . 4.270 3.363 2.040 4.326 0.056 2 0 "[ ]" 1
1125 1 95 ARG HB2 1 96 GLY HA3 4.720 . 4.720 5.047 4.386 5.714 0.994 3 1 "[ +]" 1
1126 1 95 ARG HB3 1 95 ARG QD 3.670 . 3.670 3.394 3.308 3.559 . 0 0 "[ ]" 1
1127 1 95 ARG HB3 1 97 SER H 4.560 . 4.560 4.066 2.853 5.276 0.716 2 1 "[ + ]" 1
1128 1 95 ARG QD 1 96 GLY H 4.100 . 4.100 3.794 2.992 4.252 0.152 2 0 "[ ]" 1
1129 1 96 GLY H 1 97 SER H 3.030 . 3.030 2.134 2.006 2.373 . 0 0 "[ ]" 1
1130 1 96 GLY H 1 97 SER HA 5.500 . 5.500 4.672 4.225 5.050 . 0 0 "[ ]" 1
1131 1 96 GLY H 1 97 SER HB3 4.910 . 4.910 4.681 3.896 5.114 0.204 3 0 "[ ]" 1
1132 1 97 SER H 1 97 SER HB3 3.470 . 3.470 2.896 2.495 3.329 . 0 0 "[ ]" 1
1133 1 97 SER HA 1 98 VAL H 3.170 . 3.170 2.872 2.807 2.968 . 0 0 "[ ]" 1
1134 1 97 SER HA 1 98 VAL HA 4.880 . 4.880 4.313 4.289 4.335 . 0 0 "[ ]" 1
1135 1 97 SER HA 1 98 VAL QG 3.890 . 3.890 3.643 3.513 3.727 . 0 0 "[ ]" 1
1136 1 97 SER HB2 1 98 VAL H 3.390 . 3.390 3.057 2.127 3.573 0.183 3 0 "[ ]" 1
1137 1 97 SER HB3 1 98 VAL H 3.740 . 3.740 3.198 2.371 3.658 . 0 0 "[ ]" 1
1138 1 98 VAL H 1 98 VAL QG . . 2.980 1.718 1.616 1.811 0.184 3 0 "[ ]" 1
1139 1 98 VAL H 1 99 CYS H 4.930 . 4.930 2.583 2.262 2.924 . 0 0 "[ ]" 1
1140 1 98 VAL H 1 100 LEU H 5.500 . 5.500 3.810 3.654 3.920 . 0 0 "[ ]" 1
1141 1 98 VAL H 1 100 LEU QD 3.350 . 3.350 3.771 3.593 3.936 0.586 3 1 "[ +]" 1
1142 1 98 VAL H 1 101 PHE H 4.770 . 4.770 5.389 5.225 5.523 0.753 1 2 "[+ -]" 1
1143 1 98 VAL H 1 101 PHE QB 5.500 . 5.500 5.985 5.974 5.995 0.495 3 0 "[ ]" 1
1144 1 98 VAL HA 1 99 CYS HA 4.880 . 4.880 5.090 5.007 5.135 0.255 3 0 "[ ]" 1
1145 1 98 VAL HA 1 100 LEU H 5.500 . 5.500 4.080 3.908 4.348 . 0 0 "[ ]" 1
1146 1 98 VAL HB 1 99 CYS H 4.550 . 4.550 4.161 4.045 4.302 . 0 0 "[ ]" 1
1147 1 98 VAL HB 1 100 LEU H 4.800 . 4.800 3.161 2.813 3.505 . 0 0 "[ ]" 1
1148 1 98 VAL HB 1 100 LEU QD 4.360 . 4.360 3.249 2.821 3.477 . 0 0 "[ ]" 1
1149 1 98 VAL QG 1 99 CYS H 3.790 . 3.790 2.717 2.539 2.971 . 0 0 "[ ]" 1
1150 1 98 VAL QG 1 99 CYS HB2 5.330 . 5.330 4.816 4.528 4.993 . 0 0 "[ ]" 1
1151 1 98 VAL QG 1 99 CYS HB3 5.090 . 5.090 5.321 5.193 5.414 0.324 1 0 "[ ]" 1
1152 1 98 VAL QG 1 100 LEU H 4.310 . 4.310 2.097 1.842 2.309 . 0 0 "[ ]" 1
1153 1 99 CYS H 1 100 LEU H 3.440 . 3.440 2.818 2.711 2.914 . 0 0 "[ ]" 1
1154 1 99 CYS H 1 100 LEU HA 5.500 . 5.500 5.324 5.269 5.353 . 0 0 "[ ]" 1
1155 1 99 CYS H 1 100 LEU HB3 5.290 . 5.290 4.843 4.667 4.934 . 0 0 "[ ]" 1
1156 1 99 CYS H 1 100 LEU QD 4.250 . 4.250 3.879 3.797 4.014 . 0 0 "[ ]" 1
1157 1 99 CYS H 1 102 ASP H 5.500 . 5.500 5.314 5.171 5.472 . 0 0 "[ ]" 1
1158 1 99 CYS HA 1 101 PHE H 5.380 . 5.380 4.123 3.829 4.290 . 0 0 "[ ]" 1
1159 1 99 CYS HA 1 102 ASP H 4.440 . 4.440 3.603 3.526 3.647 . 0 0 "[ ]" 1
1160 1 100 LEU H 1 100 LEU HB2 3.980 . 3.980 3.569 3.503 3.607 . 0 0 "[ ]" 1
1161 1 100 LEU H 1 100 LEU HB3 3.940 . 3.940 2.304 2.206 2.355 . 0 0 "[ ]" 1
1162 1 100 LEU H 1 100 LEU QD 4.150 . 4.150 2.009 1.936 2.145 . 0 0 "[ ]" 1
1163 1 100 LEU H 1 101 PHE H 3.830 . 3.830 2.520 2.320 2.711 . 0 0 "[ ]" 1
1164 1 100 LEU H 1 102 ASP H 4.390 . 4.390 4.131 3.882 4.335 . 0 0 "[ ]" 1
1165 1 100 LEU H 1 103 PHE H 5.320 . 5.320 4.644 4.470 4.807 . 0 0 "[ ]" 1
1166 1 100 LEU HA 1 100 LEU QD 3.470 . 3.470 3.349 3.321 3.393 . 0 0 "[ ]" 1
1167 1 100 LEU HA 1 103 PHE QB 4.190 . 4.190 2.177 2.112 2.237 . 0 0 "[ ]" 1
1168 1 100 LEU HA 1 103 PHE QD 4.320 . 4.320 3.295 2.837 3.753 . 0 0 "[ ]" 1
1169 1 100 LEU HB2 1 101 PHE H 4.330 . 4.330 3.975 3.837 4.135 . 0 0 "[ ]" 1
1170 1 100 LEU HB2 1 103 PHE QD 4.670 . 4.670 3.432 3.331 3.600 . 0 0 "[ ]" 1
1171 1 100 LEU HB3 1 101 PHE H 4.320 . 4.320 3.483 3.425 3.577 . 0 0 "[ ]" 1
1172 1 100 LEU HB3 1 103 PHE QD 4.830 . 4.830 4.945 4.898 5.018 0.188 3 0 "[ ]" 1
1173 1 100 LEU QD 1 101 PHE H 4.360 . 4.360 1.627 1.564 1.695 0.236 1 0 "[ ]" 1
1174 1 100 LEU QD 1 101 PHE HA 4.680 . 4.680 2.958 2.820 3.195 . 0 0 "[ ]" 1
1175 1 100 LEU QD 1 101 PHE QB 4.130 . 4.130 2.731 2.260 2.971 . 0 0 "[ ]" 1
1176 1 100 LEU QD 1 101 PHE QD 4.820 . 4.820 2.424 2.126 2.602 . 0 0 "[ ]" 1
1177 1 101 PHE H 1 101 PHE QB 3.390 . 3.390 2.146 1.983 2.233 . 0 0 "[ ]" 1
1178 1 101 PHE H 1 101 PHE QD 5.030 . 5.030 2.946 2.927 2.971 . 0 0 "[ ]" 1
1179 1 101 PHE H 1 102 ASP H 3.350 . 3.350 2.856 2.802 2.902 . 0 0 "[ ]" 1
1180 1 101 PHE H 1 103 PHE H 4.040 . 4.040 3.991 3.814 4.114 0.074 3 0 "[ ]" 1
1181 1 101 PHE HA 1 101 PHE QD 3.690 . 3.690 2.217 2.181 2.270 . 0 0 "[ ]" 1
1182 1 101 PHE HA 1 104 LEU QB 4.310 . 4.310 4.588 4.514 4.721 0.411 3 0 "[ ]" 1
1183 1 101 PHE HA 1 104 LEU MD1 3.970 . 3.970 3.504 3.304 3.635 . 0 0 "[ ]" 1
1184 1 101 PHE HA 1 104 LEU MD2 3.450 . 3.450 2.194 2.170 2.221 . 0 0 "[ ]" 1
1185 1 101 PHE QB 1 102 ASP H 3.710 . 3.710 2.641 2.516 2.742 . 0 0 "[ ]" 1
1186 1 101 PHE QB 1 104 LEU MD2 4.800 . 4.800 3.942 3.873 4.059 . 0 0 "[ ]" 1
1187 1 101 PHE QD 1 104 LEU MD2 4.940 . 4.940 2.626 2.451 2.714 . 0 0 "[ ]" 1
1188 1 102 ASP H 1 102 ASP HB2 3.440 . 3.440 3.228 2.523 3.582 0.142 1 0 "[ ]" 1
1189 1 102 ASP H 1 102 ASP HB3 3.110 . 3.110 2.953 2.576 3.536 0.426 3 0 "[ ]" 1
1190 1 102 ASP H 1 103 PHE H 3.310 . 3.310 2.463 2.355 2.550 . 0 0 "[ ]" 1
1191 1 102 ASP HB3 1 103 PHE H 4.900 . 4.900 4.098 3.864 4.237 . 0 0 "[ ]" 1
1192 1 103 PHE H 1 103 PHE QD 4.820 . 4.820 3.956 3.838 4.178 . 0 0 "[ ]" 1
1193 1 103 PHE H 1 104 LEU MD1 5.470 . 5.470 5.167 4.949 5.288 . 0 0 "[ ]" 1
1194 1 103 PHE H 1 104 LEU HG 4.610 . 4.610 3.854 3.604 3.998 . 0 0 "[ ]" 1
1195 1 103 PHE H 1 106 GLU H 5.500 . 5.500 4.935 4.824 5.037 . 0 0 "[ ]" 1
1196 1 103 PHE HA 1 103 PHE QE 4.000 . 6.000 4.797 4.592 4.959 . 0 0 "[ ]" 1
1197 1 103 PHE HA 1 104 LEU HG 5.500 . 5.500 5.130 5.057 5.204 . 0 0 "[ ]" 1
1198 1 103 PHE QB 1 104 LEU H 4.300 . 4.300 2.582 2.399 2.819 . 0 0 "[ ]" 1
1199 1 103 PHE QD 1 104 LEU HA 4.840 . 4.840 3.770 3.585 3.934 . 0 0 "[ ]" 1
1200 1 103 PHE QE 1 104 LEU MD2 4.000 . 6.000 4.624 4.257 5.298 . 0 0 "[ ]" 1
1201 1 103 PHE QE 1 107 LEU HB2 4.000 . 6.000 4.276 3.997 4.505 . 0 0 "[ ]" 1
1202 1 103 PHE QE 1 107 LEU MD1 4.000 . 6.000 2.141 2.109 2.178 . 0 0 "[ ]" 1
1203 1 103 PHE QE 1 107 LEU MD2 4.000 . 6.000 3.053 2.287 3.439 . 0 0 "[ ]" 1
1204 1 103 PHE QE 1 107 LEU HG 4.000 . 6.000 4.649 4.368 4.851 . 0 0 "[ ]" 1
1205 1 104 LEU H 1 104 LEU MD1 3.230 . 3.230 3.585 3.568 3.601 0.371 1 0 "[ ]" 1
1206 1 104 LEU H 1 104 LEU MD2 5.150 . 5.150 2.793 2.695 2.866 . 0 0 "[ ]" 1
1207 1 104 LEU H 1 104 LEU HG 4.550 . 4.550 1.950 1.928 1.974 . 0 0 "[ ]" 1
1208 1 104 LEU H 1 105 THR H 3.870 . 3.870 2.666 2.541 2.743 . 0 0 "[ ]" 1
1209 1 104 LEU H 1 105 THR HB 5.350 . 5.350 4.609 4.413 4.847 . 0 0 "[ ]" 1
1210 1 104 LEU H 1 105 THR MG 4.590 . 4.590 4.602 4.088 4.913 0.323 3 0 "[ ]" 1
1211 1 104 LEU H 1 106 GLU H 4.490 . 4.490 4.212 4.196 4.224 . 0 0 "[ ]" 1
1212 1 104 LEU HA 1 104 LEU MD1 3.440 . 3.440 3.662 3.644 3.692 0.252 3 0 "[ ]" 1
1213 1 104 LEU HA 1 104 LEU HG 3.970 . 3.970 3.564 3.562 3.566 . 0 0 "[ ]" 1
1214 1 104 LEU HA 1 106 GLU H 5.250 . 5.250 4.103 3.951 4.340 . 0 0 "[ ]" 1
1215 1 104 LEU HA 1 107 LEU H 4.770 . 4.770 3.144 3.049 3.298 . 0 0 "[ ]" 1
1216 1 104 LEU HA 1 107 LEU HB2 4.260 . 4.260 2.460 2.402 2.516 . 0 0 "[ ]" 1
1217 1 104 LEU HA 1 107 LEU HB3 4.210 . 4.210 3.861 3.602 4.023 . 0 0 "[ ]" 1
1218 1 104 LEU HA 1 107 LEU MD1 5.500 . 5.500 3.286 3.125 3.544 . 0 0 "[ ]" 1
1219 1 104 LEU HA 1 107 LEU MD2 4.310 . 4.310 3.609 3.523 3.759 . 0 0 "[ ]" 1
1220 1 104 LEU MD1 1 105 THR H 5.050 . 5.050 2.300 2.207 2.443 . 0 0 "[ ]" 1
1221 1 104 LEU MD1 1 105 THR HB 5.110 . 5.110 2.836 2.756 2.878 . 0 0 "[ ]" 1
1222 1 104 LEU MD1 1 106 GLU H 5.310 . 5.310 4.411 4.322 4.553 . 0 0 "[ ]" 1
1223 1 104 LEU MD1 1 107 LEU H 5.500 . 5.500 4.915 4.791 5.078 . 0 0 "[ ]" 1
1224 1 104 LEU MD1 1 108 ASP H 5.020 . 5.020 4.344 4.237 4.418 . 0 0 "[ ]" 1
1225 1 104 LEU HG 1 105 THR H 5.500 . 5.500 1.871 1.801 1.949 . 0 0 "[ ]" 1
1226 1 105 THR H 1 105 THR HB 3.440 . 3.440 2.189 2.109 2.334 . 0 0 "[ ]" 1
1227 1 105 THR H 1 105 THR MG 3.540 . 3.540 2.912 2.495 3.168 . 0 0 "[ ]" 1
1228 1 105 THR H 1 106 GLU H 3.630 . 3.630 2.854 2.833 2.864 . 0 0 "[ ]" 1
1229 1 105 THR H 1 107 LEU H 5.040 . 5.040 4.273 4.229 4.325 . 0 0 "[ ]" 1
1230 1 105 THR H 1 107 LEU MD1 5.500 . 5.500 5.647 5.626 5.683 0.183 1 0 "[ ]" 1
1231 1 105 THR HA 1 105 THR MG 3.260 . 3.260 3.121 3.089 3.182 . 0 0 "[ ]" 1
1232 1 105 THR HA 1 108 ASP H 4.230 . 4.230 3.539 3.463 3.578 . 0 0 "[ ]" 1
1233 1 105 THR HB 1 106 GLU H 3.710 . 3.710 3.581 3.475 3.789 0.079 1 0 "[ ]" 1
1234 1 105 THR MG 1 106 GLU H 3.890 . 3.890 2.035 1.911 2.141 . 0 0 "[ ]" 1
1235 1 106 GLU H 1 106 GLU HB2 3.630 . 3.630 2.482 2.398 2.528 . 0 0 "[ ]" 1
1236 1 106 GLU H 1 107 LEU H 3.730 . 3.730 2.633 2.605 2.659 . 0 0 "[ ]" 1
1237 1 106 GLU H 1 107 LEU MD1 5.500 . 5.500 4.514 4.466 4.546 . 0 0 "[ ]" 1
1238 1 106 GLU H 1 108 ASP H 4.650 . 4.650 4.154 4.081 4.217 . 0 0 "[ ]" 1
1239 1 106 GLU HA 1 110 VAL H 5.500 . 5.500 3.833 3.726 3.984 . 0 0 "[ ]" 1
1240 1 106 GLU HB2 1 107 LEU H 4.780 . 4.780 2.543 2.488 2.585 . 0 0 "[ ]" 1
1241 1 106 GLU HB2 1 107 LEU MD2 5.400 . 5.400 5.573 5.520 5.615 0.215 1 0 "[ ]" 1
1242 1 107 LEU H 1 107 LEU MD1 5.190 . 5.190 2.728 2.712 2.756 . 0 0 "[ ]" 1
1243 1 107 LEU H 1 107 LEU HG 5.500 . 5.500 4.153 4.124 4.181 . 0 0 "[ ]" 1
1244 1 107 LEU H 1 108 ASP H 3.880 . 3.880 2.701 2.673 2.729 . 0 0 "[ ]" 1
1245 1 107 LEU H 1 110 VAL MG1 4.130 . 4.130 4.030 3.933 4.116 . 0 0 "[ ]" 1
1246 1 107 LEU HA 1 107 LEU MD1 3.380 . 3.380 2.351 2.283 2.466 . 0 0 "[ ]" 1
1247 1 107 LEU HA 1 110 VAL H 4.780 . 4.780 3.666 3.606 3.715 . 0 0 "[ ]" 1
1248 1 107 LEU HA 1 110 VAL HB 4.030 . 4.030 4.034 3.835 4.233 0.203 2 0 "[ ]" 1
1249 1 107 LEU HA 1 110 VAL MG1 4.030 . 4.030 2.015 1.990 2.062 . 0 0 "[ ]" 1
1250 1 107 LEU HA 1 111 LEU MD1 5.500 . 5.500 5.009 4.673 5.216 . 0 0 "[ ]" 1
1251 1 107 LEU HB2 1 108 ASP H 4.830 . 4.830 3.071 3.058 3.083 . 0 0 "[ ]" 1
1252 1 107 LEU HB2 1 111 LEU H 5.500 . 5.500 5.696 5.648 5.791 0.291 1 0 "[ ]" 1
1253 1 107 LEU HB3 1 108 ASP HB3 5.500 . 5.500 5.634 5.388 5.758 0.258 3 0 "[ ]" 1
1254 1 107 LEU MD1 1 108 ASP H 5.500 . 5.500 4.470 4.447 4.505 . 0 0 "[ ]" 1
1255 1 107 LEU MD1 1 110 VAL HB 5.240 . 5.240 5.061 4.979 5.188 . 0 0 "[ ]" 1
1256 1 107 LEU MD1 1 110 VAL MG1 3.910 . 3.910 3.100 3.083 3.114 . 0 0 "[ ]" 1
1257 1 107 LEU MD1 1 111 LEU H 5.500 . 5.500 5.253 5.064 5.498 . 0 0 "[ ]" 1
1258 1 107 LEU MD2 1 111 LEU H 5.500 . 5.500 5.584 5.513 5.632 0.132 1 0 "[ ]" 1
1259 1 107 LEU MD2 1 111 LEU MD2 4.660 . 4.660 3.989 3.683 4.477 . 0 0 "[ ]" 1
1260 1 108 ASP H 1 108 ASP HB2 3.720 . 3.720 2.416 2.354 2.520 . 0 0 "[ ]" 1
1261 1 108 ASP H 1 108 ASP HB3 3.640 . 3.640 3.220 2.557 3.557 . 0 0 "[ ]" 1
1262 1 108 ASP H 1 109 GLY H 3.510 . 3.510 2.745 2.731 2.765 . 0 0 "[ ]" 1
1263 1 108 ASP H 1 110 VAL H 4.220 . 4.220 4.266 4.228 4.302 0.082 2 0 "[ ]" 1
1264 1 108 ASP HB2 1 109 GLY H 4.030 . 4.030 3.044 2.598 3.876 . 0 0 "[ ]" 1
1265 1 108 ASP HB3 1 109 GLY H 4.150 . 4.150 3.185 2.565 3.515 . 0 0 "[ ]" 1
1266 1 109 GLY H 1 110 VAL H 3.790 . 3.790 2.654 2.621 2.678 . 0 0 "[ ]" 1
1267 1 109 GLY H 1 110 VAL HA 5.500 . 5.500 5.271 5.241 5.286 . 0 0 "[ ]" 1
1268 1 109 GLY H 1 111 LEU H 4.540 . 4.540 4.063 3.939 4.228 . 0 0 "[ ]" 1
1269 1 110 VAL H 1 110 VAL MG1 4.290 . 4.290 2.357 2.059 2.555 . 0 0 "[ ]" 1
1270 1 110 VAL H 1 111 LEU H 3.760 . 3.760 2.609 2.560 2.672 . 0 0 "[ ]" 1
1271 1 110 VAL HA 1 110 VAL MG2 3.130 . 3.130 2.251 2.214 2.279 . 0 0 "[ ]" 1
1272 1 110 VAL MG1 1 111 LEU H 3.810 . 3.810 1.887 1.695 2.080 0.105 2 0 "[ ]" 1
1273 1 110 VAL MG2 1 111 LEU H 4.770 . 4.770 3.845 3.494 4.086 . 0 0 "[ ]" 1
1274 1 111 LEU H 1 111 LEU MD2 4.570 . 4.570 4.295 4.270 4.327 . 0 0 "[ ]" 1
1275 1 111 LEU H 1 112 TYR H 4.190 . 4.190 2.809 2.675 2.900 . 0 0 "[ ]" 1
1276 1 111 LEU HA 1 111 LEU MD1 3.820 . 3.820 2.174 2.120 2.277 . 0 0 "[ ]" 1
1277 1 111 LEU HA 1 111 LEU MD2 4.610 . 4.610 3.802 3.793 3.808 . 0 0 "[ ]" 1
1278 1 112 TYR H 1 112 TYR HB3 4.070 . 4.070 2.850 2.392 3.583 . 0 0 "[ ]" 1
1279 1 116 GLU H 1 116 GLU HB3 3.070 . 3.070 2.970 2.696 3.241 0.171 3 0 "[ ]" 1
1280 1 116 GLU HA 1 116 GLU QG 3.050 . 3.050 2.667 2.344 3.289 0.239 3 0 "[ ]" 1
1281 1 116 GLU HA 1 117 GLU H 2.960 . 2.960 2.466 2.161 3.028 0.068 3 0 "[ ]" 1
1282 1 116 GLU HA 1 117 GLU HB2 4.090 . 4.090 4.268 4.221 4.331 0.241 3 0 "[ ]" 1
1283 1 116 GLU HB3 1 116 GLU QG 2.780 . 2.780 2.354 2.348 2.360 . 0 0 "[ ]" 1
1284 1 116 GLU QG 1 117 GLU H 3.050 . 3.050 2.358 2.172 2.620 . 0 0 "[ ]" 1
1285 1 117 GLU H 1 117 GLU HB2 3.080 . 3.080 3.118 3.008 3.197 0.117 2 0 "[ ]" 1
1286 1 117 GLU H 1 118 GLU HB3 3.960 . 3.960 3.957 3.853 4.066 0.106 3 0 "[ ]" 1
1287 1 117 GLU HA 1 117 GLU HB2 2.900 . 2.900 2.541 2.506 2.594 . 0 0 "[ ]" 1
1288 1 117 GLU HA 1 117 GLU QG 3.010 . 3.010 2.287 2.256 2.306 . 0 0 "[ ]" 1
1289 1 117 GLU HB2 1 117 GLU QG 2.400 . 2.400 2.383 2.380 2.385 . 0 0 "[ ]" 1
1290 1 118 GLU HA 1 118 GLU HB2 2.830 . 2.830 2.471 2.439 2.526 . 0 0 "[ ]" 1
1291 1 118 GLU HA 1 119 THR H 2.990 . 2.990 3.142 2.797 3.333 0.343 1 0 "[ ]" 1
1292 1 118 GLU HA 1 119 THR MG 4.280 . 4.280 3.778 3.482 4.282 0.002 1 0 "[ ]" 1
1293 1 119 THR H 1 119 THR HB 3.700 . 3.700 3.749 3.634 3.813 0.113 1 0 "[ ]" 1
1294 1 119 THR H 1 119 THR MG 3.430 . 3.430 2.598 2.193 2.865 . 0 0 "[ ]" 1
1295 1 119 THR H 1 120 GLU H 4.850 . 4.850 4.497 4.457 4.576 . 0 0 "[ ]" 1
1296 1 119 THR HA 1 119 THR MG 3.060 . 3.060 2.342 2.298 2.370 . 0 0 "[ ]" 1
1297 1 119 THR HA 1 120 GLU H 2.740 . 2.740 2.420 2.349 2.459 . 0 0 "[ ]" 1
1298 1 119 THR HB 1 120 GLU H 3.110 . 3.110 2.424 2.329 2.554 . 0 0 "[ ]" 1
1299 1 119 THR MG 1 120 GLU H 3.890 . 3.890 3.769 3.750 3.786 . 0 0 "[ ]" 1
1300 1 120 GLU H 1 121 PRO HD2 4.380 . 4.380 4.523 4.423 4.716 0.336 2 0 "[ ]" 1
1301 1 120 GLU H 1 121 PRO HD3 5.440 . 5.440 3.984 3.373 5.114 . 0 0 "[ ]" 1
1302 1 121 PRO HA 1 122 VAL H 2.810 . 2.810 2.647 2.581 2.708 . 0 0 "[ ]" 1
1303 1 121 PRO HA 1 122 VAL QG 3.890 . 3.890 3.409 3.060 3.596 . 0 0 "[ ]" 1
1304 1 121 PRO HB2 1 122 VAL H 3.820 . 3.820 2.164 2.068 2.275 . 0 0 "[ ]" 1
1305 1 121 PRO HB2 1 122 VAL QG 3.770 . 3.770 3.153 2.643 3.995 0.225 2 0 "[ ]" 1
1306 1 121 PRO HB3 1 122 VAL H 3.740 . 3.740 3.291 3.215 3.341 . 0 0 "[ ]" 1
1307 1 121 PRO QG 1 122 VAL H 3.890 . 3.890 3.821 3.773 3.905 0.015 2 0 "[ ]" 1
1308 1 122 VAL H 1 122 VAL HB 3.330 . 3.330 3.274 2.719 3.562 0.232 3 0 "[ ]" 1
1309 1 122 VAL H 1 122 VAL QG 3.000 . 3.000 1.897 1.756 2.175 0.044 3 0 "[ ]" 1
1310 1 125 SER H 1 125 SER HB3 3.410 . 3.410 3.070 2.869 3.455 0.045 1 0 "[ ]" 1
1311 1 125 SER HA 1 126 ASP H 3.200 . 3.200 2.219 2.135 2.264 . 0 0 "[ ]" 1
1312 1 125 SER HA 1 126 ASP HB3 5.500 . 5.500 5.210 4.470 5.595 0.095 3 0 "[ ]" 1
1313 1 125 SER HA 1 127 ILE H 5.500 . 5.500 4.215 3.824 4.954 . 0 0 "[ ]" 1
1314 1 125 SER HB3 1 127 ILE H 5.500 . 5.500 4.668 4.389 5.030 . 0 0 "[ ]" 1
1315 1 126 ASP H 1 127 ILE HB 5.500 . 5.500 4.778 4.365 5.131 . 0 0 "[ ]" 1
1316 1 126 ASP H 1 127 ILE MD 5.500 . 5.500 2.729 2.587 2.895 . 0 0 "[ ]" 1
1317 1 126 ASP H 1 127 ILE MG 5.500 . 5.500 5.125 4.896 5.393 . 0 0 "[ ]" 1
1318 1 126 ASP HA 1 127 ILE H 3.470 . 3.470 2.851 2.484 3.085 . 0 0 "[ ]" 1
1319 1 126 ASP HB2 1 127 ILE H 5.500 . 5.500 4.276 3.965 4.684 . 0 0 "[ ]" 1
1320 1 126 ASP HB2 1 127 ILE MD 5.500 . 5.500 4.459 3.811 5.601 0.101 2 0 "[ ]" 1
1321 1 126 ASP HB3 1 127 ILE H 5.370 . 5.370 4.436 4.376 4.483 . 0 0 "[ ]" 1
1322 1 126 ASP HB3 1 127 ILE MD 4.870 . 4.870 4.742 4.649 4.816 . 0 0 "[ ]" 1
1323 1 127 ILE H 1 127 ILE HB 3.910 . 3.910 2.511 2.303 2.637 . 0 0 "[ ]" 1
1324 1 127 ILE H 1 127 ILE MD 5.170 . 5.170 2.604 2.470 2.839 . 0 0 "[ ]" 1
1325 1 127 ILE H 1 127 ILE QG 4.210 . 4.210 1.824 1.777 1.902 0.023 1 0 "[ ]" 1
1326 1 127 ILE H 1 128 PRO HD3 5.100 . 5.100 4.580 4.487 4.650 . 0 0 "[ ]" 1
1327 1 127 ILE H 1 235 ILE MD 4.000 . 6.000 6.198 6.171 6.236 0.236 2 0 "[ ]" 1
1328 1 127 ILE HA 1 127 ILE MD 3.960 . 3.960 2.069 2.058 2.077 . 0 0 "[ ]" 1
1329 1 127 ILE HB 1 128 PRO HD3 5.120 . 5.120 5.093 5.030 5.173 0.053 2 0 "[ ]" 1
1330 1 127 ILE MD 1 127 ILE MG 3.760 . 3.760 1.965 1.938 1.990 . 0 0 "[ ]" 1
1331 1 127 ILE MD 1 129 THR MG 4.750 . 4.750 4.999 4.963 5.031 0.281 1 0 "[ ]" 1
1332 1 127 ILE MD 1 140 PRO QG 4.980 . 4.980 3.366 2.231 4.233 . 0 0 "[ ]" 1
1333 1 127 ILE MD 1 141 ILE H 5.500 . 5.500 4.735 4.444 5.132 . 0 0 "[ ]" 1
1334 1 127 ILE MD 1 147 THR HB 4.550 . 4.550 4.109 4.004 4.300 . 0 0 "[ ]" 1
1335 1 127 ILE MD 1 147 THR MG 3.840 . 3.840 2.011 1.909 2.168 . 0 0 "[ ]" 1
1336 1 127 ILE QG 1 147 THR MG 3.500 . 3.500 3.717 3.631 3.832 0.332 2 0 "[ ]" 1
1337 1 127 ILE QG 1 235 ILE MD 4.190 . 4.190 4.167 3.919 4.369 0.179 1 0 "[ ]" 1
1338 1 127 ILE MG 1 128 PRO HA 4.430 . 4.430 4.548 4.466 4.599 0.169 3 0 "[ ]" 1
1339 1 127 ILE MG 1 128 PRO HD2 4.940 . 4.940 2.822 2.593 3.121 . 0 0 "[ ]" 1
1340 1 127 ILE MG 1 128 PRO HG2 5.390 . 5.390 4.303 4.150 4.379 . 0 0 "[ ]" 1
1341 1 127 ILE MG 1 128 PRO HG3 4.920 . 4.920 5.095 4.928 5.256 0.336 2 0 "[ ]" 1
1342 1 127 ILE MG 1 129 THR HA 5.500 . 5.500 4.804 4.734 4.853 . 0 0 "[ ]" 1
1343 1 127 ILE MG 1 129 THR MG 3.650 . 3.650 2.548 2.481 2.622 . 0 0 "[ ]" 1
1344 1 127 ILE MG 1 140 PRO HA 4.150 . 4.150 4.251 4.032 4.415 0.265 2 0 "[ ]" 1
1345 1 127 ILE MG 1 140 PRO QG 3.660 . 3.660 1.997 1.845 2.180 . 0 0 "[ ]" 1
1346 1 127 ILE MG 1 147 THR MG 3.840 . 3.840 3.666 3.336 3.956 0.116 2 0 "[ ]" 1
1347 1 127 ILE MG 1 235 ILE MD 5.500 . 5.500 4.847 4.715 5.063 . 0 0 "[ ]" 1
1348 1 127 ILE MG 1 239 ARG H 4.000 . 6.500 7.016 6.959 7.056 0.556 3 2 "[ -+]" 1
1349 1 127 ILE MG 1 240 PHE H 4.000 . 6.500 6.796 6.690 6.917 0.417 1 0 "[ ]" 1
1350 1 128 PRO HA 1 129 THR H 3.280 . 3.280 2.205 2.177 2.248 . 0 0 "[ ]" 1
1351 1 128 PRO HA 1 129 THR MG 4.650 . 4.650 3.638 3.552 3.803 . 0 0 "[ ]" 1
1352 1 128 PRO HA 1 130 ASP H 3.940 . 3.940 3.516 3.495 3.550 . 0 0 "[ ]" 1
1353 1 128 PRO HB2 1 151 PHE HE1 4.420 . 4.420 4.094 3.961 4.202 . 0 0 "[ ]" 1
1354 1 128 PRO HD2 1 151 PHE HE1 4.730 . 4.730 4.393 4.274 4.469 . 0 0 "[ ]" 1
1355 1 128 PRO HD3 1 151 PHE HE1 4.820 . 4.820 4.379 4.308 4.425 . 0 0 "[ ]" 1
1356 1 128 PRO HG2 1 129 THR H 5.500 . 5.500 4.868 4.731 4.984 . 0 0 "[ ]" 1
1357 1 128 PRO HG2 1 151 PHE HE1 4.420 . 4.420 3.022 3.000 3.045 . 0 0 "[ ]" 1
1358 1 128 PRO HG2 1 174 MET ME 5.230 . 5.230 5.437 5.394 5.515 0.285 2 0 "[ ]" 1
1359 1 128 PRO HG3 1 151 PHE HD1 4.230 . 4.230 4.606 4.549 4.695 0.465 2 0 "[ ]" 1
1360 1 128 PRO HG3 1 151 PHE HE1 4.230 . 4.230 2.303 2.268 2.364 . 0 0 "[ ]" 1
1361 1 128 PRO HG3 1 174 MET ME 5.310 . 5.310 4.488 4.347 4.633 . 0 0 "[ ]" 1
1362 1 129 THR H 1 129 THR HB 4.020 . 4.020 3.824 3.804 3.837 . 0 0 "[ ]" 1
1363 1 129 THR H 1 129 THR MG 3.320 . 3.320 2.922 2.850 3.030 . 0 0 "[ ]" 1
1364 1 129 THR H 1 130 ASP H 3.150 . 3.150 1.818 1.733 1.942 0.067 2 0 "[ ]" 1
1365 1 129 THR H 1 130 ASP HA 5.280 . 5.280 4.423 4.386 4.446 . 0 0 "[ ]" 1
1366 1 129 THR H 1 130 ASP HB2 5.500 . 5.500 5.171 5.161 5.179 . 0 0 "[ ]" 1
1367 1 129 THR HA 1 129 THR MG 2.990 . 2.990 2.306 2.272 2.324 . 0 0 "[ ]" 1
1368 1 129 THR HA 1 130 ASP H 3.430 . 3.430 3.267 3.181 3.313 . 0 0 "[ ]" 1
1369 1 129 THR HB 1 130 ASP H 4.150 . 4.150 4.308 4.284 4.339 0.189 3 0 "[ ]" 1
1370 1 129 THR MG 1 130 ASP HA 5.500 . 5.500 5.525 5.491 5.554 0.054 3 0 "[ ]" 1
1371 1 130 ASP H 1 130 ASP HB2 3.480 . 3.480 3.605 3.597 3.617 0.137 3 0 "[ ]" 1
1372 1 130 ASP H 1 130 ASP HB3 3.750 . 3.750 2.956 2.762 3.107 . 0 0 "[ ]" 1
1373 1 130 ASP H 1 131 PRO HD2 5.050 . 5.050 5.064 5.061 5.070 0.020 2 0 "[ ]" 1
1374 1 130 ASP HA 1 131 PRO HD2 3.190 . 3.190 2.422 2.417 2.427 . 0 0 "[ ]" 1
1375 1 130 ASP HA 1 131 PRO HD3 3.220 . 3.220 2.285 2.280 2.292 . 0 0 "[ ]" 1
1376 1 130 ASP HB2 1 131 PRO HD2 4.310 . 4.310 2.833 2.812 2.852 . 0 0 "[ ]" 1
1377 1 130 ASP HB2 1 131 PRO HD3 3.790 . 3.790 3.973 3.952 3.990 0.200 3 0 "[ ]" 1
1378 1 130 ASP HB3 1 131 PRO HD2 4.370 . 4.370 3.788 3.698 3.924 . 0 0 "[ ]" 1
1379 1 131 PRO HA 1 132 PHE H 3.230 . 3.230 2.285 2.266 2.315 . 0 0 "[ ]" 1
1380 1 131 PRO HA 1 132 PHE QB 4.960 . 4.960 4.247 4.078 4.338 . 0 0 "[ ]" 1
1381 1 131 PRO HA 1 132 PHE QD 4.590 . 4.590 4.228 4.187 4.270 . 0 0 "[ ]" 1
1382 1 131 PRO HB2 1 132 PHE H 3.980 . 3.980 2.657 2.556 2.715 . 0 0 "[ ]" 1
1383 1 131 PRO HB3 1 132 PHE H 3.630 . 3.630 3.559 3.507 3.605 . 0 0 "[ ]" 1
1384 1 131 PRO HD3 1 132 PHE H 5.430 . 5.430 5.542 5.515 5.556 0.126 3 0 "[ ]" 1
1385 1 131 PRO HG2 1 132 PHE H 4.510 . 4.510 4.299 4.220 4.378 . 0 0 "[ ]" 1
1386 1 132 PHE H 1 132 PHE QD 4.790 . 4.790 3.555 3.468 3.672 . 0 0 "[ ]" 1
1387 1 132 PHE H 1 133 GLU H 4.520 . 4.520 4.465 4.452 4.473 . 0 0 "[ ]" 1
1388 1 132 PHE H 1 135 TRP H 5.000 . 5.000 4.368 4.251 4.451 . 0 0 "[ ]" 1
1389 1 132 PHE H 1 135 TRP HB2 4.400 . 4.400 4.754 4.505 5.048 0.648 3 1 "[ +]" 1
1390 1 132 PHE H 1 136 THR HA 5.500 . 5.500 2.222 2.039 2.440 . 0 0 "[ ]" 1
1391 1 132 PHE H 1 137 ALA H 4.770 . 4.770 3.259 3.222 3.293 . 0 0 "[ ]" 1
1392 1 132 PHE H 1 137 ALA MB 5.500 . 5.500 4.724 4.642 4.824 . 0 0 "[ ]" 1
1393 1 132 PHE QB 1 135 TRP H 3.840 . 3.840 3.038 3.025 3.050 . 0 0 "[ ]" 1
1394 1 132 PHE QB 1 136 THR H 5.500 . 5.500 4.324 4.244 4.405 . 0 0 "[ ]" 1
1395 1 132 PHE QB 1 136 THR HA 4.470 . 4.470 3.858 3.744 3.984 . 0 0 "[ ]" 1
1396 1 132 PHE QB 1 168 LEU QD 5.500 . 5.500 4.870 4.699 4.977 . 0 0 "[ ]" 1
1397 1 132 PHE QD 1 133 GLU H 4.760 . 4.760 3.615 3.174 3.849 . 0 0 "[ ]" 1
1398 1 132 PHE QD 1 168 LEU QD 3.710 . 3.710 4.184 4.157 4.221 0.511 1 1 "[+ ]" 1
1399 1 133 GLU H 1 133 GLU QG 3.050 . 3.050 2.806 2.310 3.496 0.446 3 0 "[ ]" 1
1400 1 133 GLU H 1 135 TRP H 5.230 . 5.230 3.499 3.477 3.511 . 0 0 "[ ]" 1
1401 1 133 GLU H 1 135 TRP HB2 4.570 . 4.570 4.252 4.204 4.345 . 0 0 "[ ]" 1
1402 1 133 GLU HA 1 133 GLU HB2 2.890 . 2.890 2.308 2.280 2.344 . 0 0 "[ ]" 1
1403 1 133 GLU HA 1 133 GLU QG 3.120 . 3.120 3.251 3.214 3.286 0.166 3 0 "[ ]" 1
1404 1 133 GLU HA 1 134 GLY H 3.040 . 3.040 2.150 2.122 2.174 . 0 0 "[ ]" 1
1405 1 133 GLU HA 1 135 TRP H 3.680 . 3.680 3.191 3.173 3.218 . 0 0 "[ ]" 1
1406 1 133 GLU HB2 1 134 GLY H 4.090 . 4.090 3.600 3.438 3.880 . 0 0 "[ ]" 1
1407 1 133 GLU HB2 1 135 TRP H 5.100 . 5.100 4.778 4.680 4.913 . 0 0 "[ ]" 1
1408 1 133 GLU QG 1 134 GLY H 3.100 . 3.100 3.620 3.537 3.785 0.685 1 1 "[+ ]" 1
1409 1 133 GLU QG 1 134 GLY HA2 4.600 . 4.600 4.523 4.443 4.666 0.066 1 0 "[ ]" 1
1410 1 133 GLU QG 1 134 GLY HA3 3.320 . 3.320 3.479 3.369 3.581 0.261 1 0 "[ ]" 1
1411 1 133 GLU QG 1 135 TRP HB2 5.500 . 5.500 4.520 4.278 4.878 . 0 0 "[ ]" 1
1412 1 134 GLY H 1 135 TRP H 3.120 . 3.120 2.698 2.614 2.789 . 0 0 "[ ]" 1
1413 1 134 GLY H 1 135 TRP HD1 5.500 . 5.500 6.179 6.010 6.385 0.885 2 3 [*+-] 1
1414 1 134 GLY HA2 1 153 ALA MB 5.420 . 5.420 4.918 4.727 5.078 . 0 0 "[ ]" 1
1415 1 134 GLY HA2 1 164 MET ME 3.940 . 3.940 3.246 3.070 3.516 . 0 0 "[ ]" 1
1416 1 134 GLY HA3 1 153 ALA MB 4.860 . 4.860 5.170 4.994 5.344 0.484 1 0 "[ ]" 1
1417 1 134 GLY HA3 1 164 MET HB2 5.050 . 5.050 5.255 5.007 5.466 0.416 2 0 "[ ]" 1
1418 1 134 GLY HA3 1 164 MET ME 3.110 . 3.110 2.859 2.425 3.119 0.009 3 0 "[ ]" 1
1419 1 135 TRP H 1 135 TRP HD1 5.500 . 5.500 4.072 3.954 4.181 . 0 0 "[ ]" 1
1420 1 135 TRP H 1 136 THR H 4.390 . 4.390 4.569 4.504 4.628 0.238 1 0 "[ ]" 1
1421 1 135 TRP H 1 136 THR HA 5.010 . 5.010 5.161 5.133 5.188 0.178 1 0 "[ ]" 1
1422 1 135 TRP H 1 153 ALA MB 5.500 . 5.500 4.767 4.682 4.872 . 0 0 "[ ]" 1
1423 1 135 TRP HA 1 136 THR H 3.430 . 3.430 2.201 2.160 2.222 . 0 0 "[ ]" 1
1424 1 135 TRP HA 1 136 THR HB 4.470 . 4.470 4.433 4.405 4.483 0.013 1 0 "[ ]" 1
1425 1 135 TRP HA 1 153 ALA MB 3.890 . 3.890 2.273 2.215 2.318 . 0 0 "[ ]" 1
1426 1 135 TRP HA 1 154 HIS HD2 4.490 . 4.490 4.657 4.540 4.835 0.345 1 0 "[ ]" 1
1427 1 135 TRP HA 1 164 MET ME 5.020 . 5.020 3.346 2.923 3.627 . 0 0 "[ ]" 1
1428 1 135 TRP HE1 1 153 ALA MB 5.120 . 5.120 4.169 3.875 4.412 . 0 0 "[ ]" 1
1429 1 135 TRP HE1 1 164 MET ME 3.250 . 3.250 3.021 2.432 3.916 0.666 1 1 "[+ ]" 1
1430 1 135 TRP HE1 1 168 LEU H 5.500 . 5.500 3.838 3.246 4.838 . 0 0 "[ ]" 1
1431 1 135 TRP HE1 1 168 LEU QD . . 4.230 3.498 3.342 3.804 . 0 0 "[ ]" 1
1432 1 135 TRP HZ2 1 164 MET HB2 5.220 . 5.220 5.042 4.454 5.503 0.283 1 0 "[ ]" 1
1433 1 135 TRP HZ2 1 168 LEU H 5.500 . 5.500 4.548 3.824 5.386 . 0 0 "[ ]" 1
1434 1 135 TRP HZ2 1 168 LEU HB2 5.090 . 5.090 2.927 2.425 3.736 . 0 0 "[ ]" 1
1435 1 136 THR H 1 136 THR HB 3.620 . 3.620 2.676 2.631 2.706 . 0 0 "[ ]" 1
1436 1 136 THR H 1 136 THR MG 3.740 . 3.740 3.839 3.803 3.859 0.119 1 0 "[ ]" 1
1437 1 136 THR H 1 137 ALA H 4.360 . 4.360 4.037 3.969 4.161 . 0 0 "[ ]" 1
1438 1 136 THR H 1 137 ALA HA 5.060 . 5.060 4.763 4.576 4.874 . 0 0 "[ ]" 1
1439 1 136 THR H 1 137 ALA MB 5.500 . 5.500 4.498 4.252 4.916 . 0 0 "[ ]" 1
1440 1 136 THR H 1 152 ALA MB 5.100 . 5.100 4.641 4.600 4.691 . 0 0 "[ ]" 1
1441 1 136 THR H 1 153 ALA MB 3.950 . 3.950 2.403 2.125 2.905 . 0 0 "[ ]" 1
1442 1 136 THR H 1 154 HIS H 5.500 . 5.500 4.851 4.735 4.947 . 0 0 "[ ]" 1
1443 1 136 THR H 1 154 HIS HD2 4.960 . 4.960 5.083 4.980 5.169 0.209 1 0 "[ ]" 1
1444 1 136 THR H 1 254 ALA MB 4.080 . 4.080 4.496 4.457 4.541 0.461 2 0 "[ ]" 1
1445 1 136 THR HA 1 136 THR MG 2.930 . 2.930 2.368 2.337 2.407 . 0 0 "[ ]" 1
1446 1 136 THR HA 1 137 ALA H 3.220 . 3.220 2.193 2.172 2.227 . 0 0 "[ ]" 1
1447 1 136 THR HA 1 137 ALA HA 4.930 . 4.930 4.428 4.417 4.439 . 0 0 "[ ]" 1
1448 1 136 THR HA 1 137 ALA MB 3.970 . 3.970 4.101 4.096 4.104 0.134 3 0 "[ ]" 1
1449 1 136 THR HB 1 152 ALA MB 4.270 . 4.270 3.759 3.539 3.872 . 0 0 "[ ]" 1
1450 1 136 THR HB 1 254 ALA MB 3.400 . 3.400 2.736 2.648 2.823 . 0 0 "[ ]" 1
1451 1 136 THR MG 1 137 ALA H 3.310 . 3.310 3.076 2.940 3.153 . 0 0 "[ ]" 1
1452 1 136 THR MG 1 137 ALA MB 5.500 . 5.500 4.299 4.205 4.348 . 0 0 "[ ]" 1
1453 1 136 THR MG 1 253 ARG QB 3.100 . 3.100 3.102 3.023 3.218 0.118 1 0 "[ ]" 1
1454 1 136 THR MG 1 254 ALA H 3.690 . 3.690 3.599 3.533 3.679 . 0 0 "[ ]" 1
1455 1 136 THR MG 1 254 ALA HA 3.770 . 3.770 3.253 2.880 3.639 . 0 0 "[ ]" 1
1456 1 136 THR MG 1 254 ALA MB 3.580 . 3.580 2.851 2.780 2.908 . 0 0 "[ ]" 1
1457 1 137 ALA H 1 137 ALA MB 3.090 . 3.090 2.416 2.349 2.452 . 0 0 "[ ]" 1
1458 1 137 ALA H 1 250 ALA MB 5.250 . 5.250 5.064 4.613 5.298 0.048 1 0 "[ ]" 1
1459 1 137 ALA HA 1 138 SER HA 5.230 . 5.230 4.382 4.226 4.509 . 0 0 "[ ]" 1
1460 1 137 ALA HA 1 151 PHE HA 3.830 . 3.830 2.400 2.232 2.555 . 0 0 "[ ]" 1
1461 1 137 ALA HA 1 151 PHE HB3 4.940 . 4.940 4.089 4.043 4.134 . 0 0 "[ ]" 1
1462 1 137 ALA HA 1 151 PHE HD1 4.860 . 4.860 5.022 4.688 5.262 0.402 1 0 "[ ]" 1
1463 1 137 ALA HA 1 152 ALA H 3.850 . 3.850 2.317 2.157 2.595 . 0 0 "[ ]" 1
1464 1 137 ALA HA 1 250 ALA MB 3.580 . 3.580 4.081 3.858 4.484 0.904 2 1 "[ + ]" 1
1465 1 137 ALA MB 1 150 ALA H 4.840 . 4.840 5.052 5.048 5.059 0.219 3 0 "[ ]" 1
1466 1 137 ALA MB 1 151 PHE HD1 3.620 . 3.620 3.433 3.245 3.779 0.159 2 0 "[ ]" 1
1467 1 137 ALA MB 1 151 PHE HE1 3.770 . 3.770 3.655 3.336 3.828 0.058 3 0 "[ ]" 1
1468 1 137 ALA MB 1 152 ALA H 4.140 . 4.140 3.304 2.790 4.203 0.063 2 0 "[ ]" 1
1469 1 138 SER H 1 139 ASP H 5.190 . 5.190 2.599 1.832 3.989 . 0 0 "[ ]" 1
1470 1 138 SER H 1 150 ALA H 4.890 . 4.890 4.830 4.423 5.048 0.158 1 0 "[ ]" 1
1471 1 138 SER H 1 150 ALA MB 5.500 . 5.500 4.494 3.706 4.946 . 0 0 "[ ]" 1
1472 1 138 SER H 1 151 PHE HA 5.040 . 5.040 2.953 2.318 3.333 . 0 0 "[ ]" 1
1473 1 138 SER H 1 151 PHE HB3 5.040 . 5.040 5.350 4.987 5.575 0.535 3 1 "[ +]" 1
1474 1 138 SER H 1 151 PHE HD1 5.340 . 5.340 4.814 4.237 5.198 . 0 0 "[ ]" 1
1475 1 138 SER H 1 152 ALA H 5.180 . 5.180 3.678 3.400 3.837 . 0 0 "[ ]" 1
1476 1 138 SER H 1 250 ALA MB 4.010 . 4.010 3.348 2.890 4.013 0.003 2 0 "[ ]" 1
1477 1 138 SER HA 1 250 ALA MB 4.550 . 4.550 3.127 1.943 3.757 . 0 0 "[ ]" 1
1478 1 138 SER HB2 1 139 ASP HA 4.900 . 4.900 4.861 4.230 5.190 0.290 1 0 "[ ]" 1
1479 1 138 SER HB3 1 139 ASP H 4.980 . 4.980 3.641 2.108 4.407 . 0 0 "[ ]" 1
1480 1 138 SER HB3 1 250 ALA H 4.540 . 4.540 4.748 4.668 4.797 0.257 2 0 "[ ]" 1
1481 1 139 ASP H 1 140 PRO QG 5.110 . 5.110 4.734 4.397 5.353 0.243 2 0 "[ ]" 1
1482 1 139 ASP H 1 150 ALA H 5.500 . 5.500 3.867 3.468 4.496 . 0 0 "[ ]" 1
1483 1 139 ASP H 1 150 ALA HA 5.500 . 5.500 5.617 5.422 5.929 0.429 2 0 "[ ]" 1
1484 1 140 PRO HA 1 141 ILE HA 4.940 . 4.940 4.465 4.412 4.495 . 0 0 "[ ]" 1
1485 1 140 PRO HA 1 141 ILE HB 4.820 . 4.820 4.544 4.446 4.684 . 0 0 "[ ]" 1
1486 1 140 PRO HA 1 141 ILE QG 4.800 . 4.800 3.598 3.546 3.674 . 0 0 "[ ]" 1
1487 1 140 PRO HA 1 147 THR MG 4.610 . 4.610 4.582 4.393 4.801 0.191 1 0 "[ ]" 1
1488 1 140 PRO HA 1 148 PHE H 5.110 . 5.110 5.135 5.015 5.242 0.132 3 0 "[ ]" 1
1489 1 140 PRO HA 1 149 MET H 4.860 . 4.860 4.517 4.440 4.605 . 0 0 "[ ]" 1
1490 1 140 PRO HA 1 149 MET HA 4.310 . 4.310 1.973 1.867 2.047 . 0 0 "[ ]" 1
1491 1 140 PRO HA 1 149 MET HB2 4.820 . 4.820 4.385 3.171 5.000 0.180 1 0 "[ ]" 1
1492 1 140 PRO HA 1 149 MET ME 4.220 . 4.220 4.350 4.284 4.448 0.228 1 0 "[ ]" 1
1493 1 140 PRO HA 1 150 ALA H 5.110 . 5.110 2.987 2.601 3.219 . 0 0 "[ ]" 1
1494 1 140 PRO HB3 1 141 ILE H 4.140 . 4.140 3.182 2.825 3.380 . 0 0 "[ ]" 1
1495 1 140 PRO QG 1 141 ILE H 4.350 . 4.350 4.319 4.284 4.357 0.007 3 0 "[ ]" 1
1496 1 140 PRO QG 1 141 ILE MD 5.500 . 5.500 5.406 5.290 5.623 0.123 2 0 "[ ]" 1
1497 1 140 PRO QG 1 147 THR MG 4.880 . 4.880 4.472 3.552 4.996 0.116 3 0 "[ ]" 1
1498 1 140 PRO QG 1 243 ILE MG 4.490 . 4.490 4.333 4.058 4.716 0.226 2 0 "[ ]" 1
1499 1 141 ILE H 1 141 ILE HB 3.760 . 3.760 2.822 2.683 2.899 . 0 0 "[ ]" 1
1500 1 141 ILE H 1 141 ILE MD 5.500 . 5.500 3.925 3.456 4.188 . 0 0 "[ ]" 1
1501 1 141 ILE H 1 141 ILE QG 4.500 . 4.500 3.094 2.781 3.296 . 0 0 "[ ]" 1
1502 1 141 ILE H 1 141 ILE MG 4.270 . 4.270 3.880 3.838 3.915 . 0 0 "[ ]" 1
1503 1 141 ILE H 1 142 THR H 5.280 . 5.280 4.261 4.186 4.370 . 0 0 "[ ]" 1
1504 1 141 ILE H 1 147 THR MG 3.680 . 3.680 3.562 3.347 3.686 0.006 1 0 "[ ]" 1
1505 1 141 ILE H 1 148 PHE H 4.470 . 4.470 3.190 3.086 3.293 . 0 0 "[ ]" 1
1506 1 141 ILE H 1 149 MET HA 5.200 . 5.200 3.374 3.253 3.435 . 0 0 "[ ]" 1
1507 1 141 ILE H 1 235 ILE MD 4.000 . 6.000 5.468 5.443 5.509 . 0 0 "[ ]" 1
1508 1 141 ILE H 1 243 ILE MD 4.840 . 4.840 4.787 4.015 5.175 0.335 3 0 "[ ]" 1
1509 1 141 ILE H 1 243 ILE MG 5.500 . 5.500 4.634 4.108 5.585 0.085 2 0 "[ ]" 1
1510 1 141 ILE HA 1 141 ILE MD 3.540 . 3.540 2.130 2.074 2.176 . 0 0 "[ ]" 1
1511 1 141 ILE HA 1 141 ILE QG 4.010 . 4.010 2.898 2.817 3.032 . 0 0 "[ ]" 1
1512 1 141 ILE HA 1 141 ILE MG 3.430 . 3.430 2.302 2.237 2.344 . 0 0 "[ ]" 1
1513 1 141 ILE HA 1 142 THR H 3.130 . 3.130 2.140 2.117 2.165 . 0 0 "[ ]" 1
1514 1 141 ILE HA 1 142 THR HB 4.460 . 4.460 4.225 4.199 4.272 . 0 0 "[ ]" 1
1515 1 141 ILE HB 1 142 THR H 4.010 . 4.010 4.007 3.900 4.094 0.084 3 0 "[ ]" 1
1516 1 141 ILE HB 1 148 PHE H 5.100 . 5.100 3.443 3.125 3.648 . 0 0 "[ ]" 1
1517 1 141 ILE HB 1 148 PHE HD1 4.510 . 4.510 4.059 3.811 4.443 . 0 0 "[ ]" 1
1518 1 141 ILE MD 1 141 ILE MG 3.050 . 3.050 1.888 1.850 1.910 . 0 0 "[ ]" 1
1519 1 141 ILE MD 1 142 THR H 3.810 . 3.810 3.317 3.230 3.462 . 0 0 "[ ]" 1
1520 1 141 ILE MD 1 148 PHE H 5.500 . 5.500 5.661 5.562 5.846 0.346 1 0 "[ ]" 1
1521 1 141 ILE MD 1 240 PHE HB2 5.250 . 5.250 4.875 4.606 5.314 0.064 2 0 "[ ]" 1
1522 1 141 ILE MD 1 244 ASN H 5.500 . 5.500 3.595 3.372 3.747 . 0 0 "[ ]" 1
1523 1 141 ILE MD 1 244 ASN HA 3.680 . 3.680 2.486 2.287 2.606 . 0 0 "[ ]" 1
1524 1 141 ILE MD 1 244 ASN HB3 4.670 . 4.670 4.239 3.943 4.566 . 0 0 "[ ]" 1
1525 1 141 ILE MD 1 244 ASN HD21 5.500 . 5.500 2.865 1.767 3.604 0.033 1 0 "[ ]" 1
1526 1 141 ILE MD 1 244 ASN HD22 5.500 . 5.500 2.843 1.974 4.008 . 0 0 "[ ]" 1
1527 1 141 ILE MD 1 246 THR H 4.000 . 6.000 5.926 5.755 6.032 0.032 1 0 "[ ]" 1
1528 1 141 ILE QG 1 142 THR H 4.600 . 4.600 4.499 4.475 4.543 . 0 0 "[ ]" 1
1529 1 141 ILE MG 1 142 THR H 3.470 . 3.470 2.256 2.241 2.269 . 0 0 "[ ]" 1
1530 1 141 ILE MG 1 142 THR HB 4.340 . 4.340 3.848 3.707 3.926 . 0 0 "[ ]" 1
1531 1 141 ILE MG 1 142 THR MG 4.700 . 4.700 4.315 4.298 4.327 . 0 0 "[ ]" 1
1532 1 141 ILE MG 1 148 PHE H 4.280 . 4.280 3.931 3.493 4.234 . 0 0 "[ ]" 1
1533 1 141 ILE MG 1 148 PHE HB3 4.100 . 4.100 4.352 4.269 4.486 0.386 2 0 "[ ]" 1
1534 1 141 ILE MG 1 148 PHE HD1 3.990 . 3.990 3.903 3.637 4.089 0.099 2 0 "[ ]" 1
1535 1 141 ILE MG 1 234 HIS HD2 4.000 . 6.000 6.334 6.277 6.386 0.386 1 0 "[ ]" 1
1536 1 141 ILE MG 1 235 ILE MD 4.000 . 6.000 5.205 5.127 5.297 . 0 0 "[ ]" 1
1537 1 141 ILE MG 1 240 PHE HB2 5.230 . 5.230 3.728 3.459 4.142 . 0 0 "[ ]" 1
1538 1 141 ILE MG 1 240 PHE HB3 5.500 . 5.500 4.825 4.732 4.975 . 0 0 "[ ]" 1
1539 1 141 ILE MG 1 242 HIS H 4.000 . 6.500 7.049 6.964 7.132 0.632 3 2 "[- +]" 1
1540 1 142 THR H 1 142 THR HB 3.230 . 3.230 2.207 2.192 2.220 . 0 0 "[ ]" 1
1541 1 142 THR H 1 142 THR MG 3.810 . 3.810 3.609 3.583 3.643 . 0 0 "[ ]" 1
1542 1 142 THR HA 1 142 THR MG 3.330 . 3.330 2.581 2.566 2.599 . 0 0 "[ ]" 1
1543 1 142 THR HA 1 148 PHE H 4.700 . 4.700 3.653 3.535 3.821 . 0 0 "[ ]" 1
1544 1 142 THR HA 1 235 ILE MD 4.000 . 6.000 2.335 2.254 2.438 . 0 0 "[ ]" 1
1545 1 142 THR HB 1 143 ASP H 4.230 . 4.230 4.272 4.178 4.365 0.135 1 0 "[ ]" 1
1546 1 142 THR HB 1 235 ILE MD 3.890 . 3.890 4.008 3.957 4.056 0.166 3 0 "[ ]" 1
1547 1 142 THR HB 1 235 ILE MG 4.000 . 6.000 4.980 4.516 5.570 . 0 0 "[ ]" 1
1548 1 142 THR MG 1 143 ASP H 3.650 . 3.650 2.495 2.388 2.626 . 0 0 "[ ]" 1
1549 1 142 THR MG 1 143 ASP HA 4.390 . 4.390 3.337 3.296 3.410 . 0 0 "[ ]" 1
1550 1 142 THR MG 1 143 ASP HB2 5.490 . 5.490 4.692 4.629 4.773 . 0 0 "[ ]" 1
1551 1 142 THR MG 1 143 ASP HB3 5.500 . 5.500 4.933 4.749 5.111 . 0 0 "[ ]" 1
1552 1 142 THR MG 1 144 ARG H 5.480 . 5.480 4.825 4.745 4.918 . 0 0 "[ ]" 1
1553 1 142 THR MG 1 145 GLY H 5.500 . 5.500 4.599 4.545 4.641 . 0 0 "[ ]" 1
1554 1 142 THR MG 1 146 SER H 5.500 . 5.500 5.422 5.376 5.504 0.004 1 0 "[ ]" 1
1555 1 142 THR MG 1 148 PHE H 5.500 . 5.500 5.566 5.509 5.670 0.170 3 0 "[ ]" 1
1556 1 142 THR MG 1 234 HIS HA 3.320 . 3.320 3.237 2.571 3.616 0.296 3 0 "[ ]" 1
1557 1 142 THR MG 1 234 HIS HB3 4.240 . 4.240 3.664 3.111 3.960 . 0 0 "[ ]" 1
1558 1 142 THR MG 1 235 ILE HG12 4.240 . 4.240 4.345 4.319 4.363 0.123 1 0 "[ ]" 1
1559 1 142 THR MG 1 239 ARG H 4.970 . 4.970 4.176 3.779 4.901 . 0 0 "[ ]" 1
1560 1 142 THR MG 1 240 PHE H 4.610 . 4.610 3.272 2.823 3.850 . 0 0 "[ ]" 1
1561 1 142 THR MG 1 240 PHE HB2 4.500 . 4.500 3.004 2.788 3.217 . 0 0 "[ ]" 1
1562 1 143 ASP H 1 144 ARG H 4.690 . 4.690 4.389 4.364 4.411 . 0 0 "[ ]" 1
1563 1 143 ASP H 1 144 ARG HA 4.840 . 4.840 5.022 4.991 5.064 0.224 1 0 "[ ]" 1
1564 1 143 ASP H 1 145 GLY H 4.620 . 4.620 4.736 4.705 4.767 0.147 2 0 "[ ]" 1
1565 1 143 ASP H 1 146 SER H 4.050 . 4.050 4.165 4.154 4.172 0.122 1 0 "[ ]" 1
1566 1 143 ASP H 1 234 HIS HD2 5.500 . 5.500 4.670 4.270 5.222 . 0 0 "[ ]" 1
1567 1 143 ASP HA 1 144 ARG H 3.540 . 3.540 2.468 2.435 2.513 . 0 0 "[ ]" 1
1568 1 143 ASP HA 1 144 ARG HA 4.170 . 4.170 4.261 4.249 4.270 0.100 3 0 "[ ]" 1
1569 1 143 ASP HB2 1 144 ARG H 5.360 . 5.360 3.806 3.748 3.854 . 0 0 "[ ]" 1
1570 1 143 ASP HB2 1 146 SER H 5.500 . 5.500 4.485 3.523 5.002 . 0 0 "[ ]" 1
1571 1 143 ASP HB3 1 146 SER H 3.610 . 3.610 3.420 3.227 3.698 0.088 3 0 "[ ]" 1
1572 1 144 ARG H 1 145 GLY H 4.690 . 4.690 4.310 4.285 4.329 . 0 0 "[ ]" 1
1573 1 144 ARG H 1 146 SER H 4.560 . 4.560 3.930 3.921 3.940 . 0 0 "[ ]" 1
1574 1 144 ARG H 1 234 HIS HA 5.500 . 5.500 5.305 4.992 5.689 0.189 2 0 "[ ]" 1
1575 1 144 ARG HA 1 145 GLY HA3 5.040 . 5.040 4.337 4.316 4.349 . 0 0 "[ ]" 1
1576 1 145 GLY H 1 146 SER H 3.910 . 3.910 3.109 3.099 3.117 . 0 0 "[ ]" 1
1577 1 145 GLY H 1 234 HIS HA 5.500 . 5.500 2.456 1.950 3.217 . 0 0 "[ ]" 1
1578 1 145 GLY HA2 1 146 SER HA 5.010 . 5.010 4.664 4.632 4.688 . 0 0 "[ ]" 1
1579 1 145 GLY HA3 1 234 HIS HA 5.500 . 5.500 5.086 4.673 5.683 0.183 2 0 "[ ]" 1
1580 1 146 SER H 1 147 THR H 5.060 . 5.060 4.466 4.352 4.525 . 0 0 "[ ]" 1
1581 1 146 SER H 1 234 HIS HA 5.250 . 5.250 5.011 4.693 5.308 0.058 2 0 "[ ]" 1
1582 1 146 SER H 1 235 ILE MD 5.200 . 5.200 4.670 4.331 5.231 0.031 2 0 "[ ]" 1
1583 1 146 SER HA 1 235 ILE MD 4.000 . 6.000 4.478 4.241 4.871 . 0 0 "[ ]" 1
1584 1 146 SER QB 1 148 PHE H 4.860 . 4.860 4.660 4.515 4.868 0.008 1 0 "[ ]" 1
1585 1 146 SER QB 1 148 PHE HA 5.090 . 5.090 5.102 5.014 5.195 0.105 3 0 "[ ]" 1
1586 1 146 SER QB 1 235 ILE MD 4.000 . 6.000 4.847 4.569 5.137 . 0 0 "[ ]" 1
1587 1 147 THR H 1 148 PHE HA 5.030 . 5.030 4.754 4.499 5.152 0.122 1 0 "[ ]" 1
1588 1 147 THR H 1 229 TRP H 4.590 . 4.590 2.535 2.332 2.913 . 0 0 "[ ]" 1
1589 1 147 THR HA 1 148 PHE HD1 4.720 . 4.720 4.284 3.780 4.724 0.004 2 0 "[ ]" 1
1590 1 147 THR HB 1 228 ARG HA 5.070 . 5.070 4.716 4.582 4.975 . 0 0 "[ ]" 1
1591 1 147 THR HB 1 229 TRP H 5.340 . 5.340 3.281 3.128 3.447 . 0 0 "[ ]" 1
1592 1 147 THR MG 1 148 PHE H 3.450 . 3.450 2.906 2.776 3.072 . 0 0 "[ ]" 1
1593 1 147 THR MG 1 148 PHE HA 4.850 . 4.850 4.176 4.041 4.304 . 0 0 "[ ]" 1
1594 1 147 THR MG 1 149 MET H 4.630 . 4.630 4.681 4.632 4.710 0.080 2 0 "[ ]" 1
1595 1 147 THR MG 1 149 MET HB3 5.120 . 5.120 4.538 3.684 5.044 . 0 0 "[ ]" 1
1596 1 147 THR MG 1 229 TRP H 5.500 . 5.500 4.546 4.501 4.592 . 0 0 "[ ]" 1
1597 1 148 PHE H 1 148 PHE HD1 4.620 . 4.620 3.212 2.845 3.463 . 0 0 "[ ]" 1
1598 1 148 PHE H 1 149 MET ME 4.720 . 4.720 4.724 4.613 4.802 0.082 2 0 "[ ]" 1
1599 1 148 PHE HA 1 148 PHE HD1 4.500 . 4.500 3.943 3.670 4.096 . 0 0 "[ ]" 1
1600 1 148 PHE HA 1 149 MET QG 4.970 . 4.970 3.421 3.236 3.577 . 0 0 "[ ]" 1
1601 1 148 PHE HA 1 226 VAL MG2 5.500 . 5.500 5.609 5.589 5.622 0.122 3 0 "[ ]" 1
1602 1 148 PHE HA 1 228 ARG H 5.500 . 5.500 4.979 4.912 5.064 . 0 0 "[ ]" 1
1603 1 148 PHE HA 1 228 ARG HA 4.480 . 4.480 2.557 2.482 2.602 . 0 0 "[ ]" 1
1604 1 148 PHE HA 1 229 TRP H 5.500 . 5.500 3.978 3.846 4.150 . 0 0 "[ ]" 1
1605 1 148 PHE HA 1 235 ILE MD 4.000 . 6.000 6.286 6.113 6.441 0.441 3 0 "[ ]" 1
1606 1 149 MET H 1 149 MET QG 4.320 . 4.320 2.360 1.985 2.642 . 0 0 "[ ]" 1
1607 1 149 MET H 1 227 ALA H 4.350 . 4.350 2.637 2.516 2.795 . 0 0 "[ ]" 1
1608 1 149 MET HB2 1 150 ALA H 4.980 . 4.980 3.449 2.867 3.977 . 0 0 "[ ]" 1
1609 1 149 MET HB2 1 150 ALA MB 5.500 . 5.500 4.979 4.756 5.222 . 0 0 "[ ]" 1
1610 1 149 MET QG 1 150 ALA H 4.170 . 4.170 4.227 3.917 4.470 0.300 1 0 "[ ]" 1
1611 1 150 ALA HA 1 151 PHE HD1 4.570 . 4.570 3.268 3.060 3.641 . 0 0 "[ ]" 1
1612 1 150 ALA HA 1 151 PHE HE1 5.300 . 5.300 5.193 4.914 5.695 0.395 2 0 "[ ]" 1
1613 1 150 ALA HA 1 227 ALA H 4.100 . 4.100 3.655 3.551 3.780 . 0 0 "[ ]" 1
1614 1 150 ALA MB 1 151 PHE H 3.870 . 3.870 2.946 2.628 3.117 . 0 0 "[ ]" 1
1615 1 150 ALA MB 1 151 PHE HD1 4.780 . 4.780 4.279 4.216 4.401 . 0 0 "[ ]" 1
1616 1 150 ALA MB 1 151 PHE HE1 5.500 . 5.500 5.656 5.591 5.748 0.248 2 0 "[ ]" 1
1617 1 150 ALA MB 1 226 VAL HA 4.620 . 4.620 3.346 3.147 3.670 . 0 0 "[ ]" 1
1618 1 150 ALA MB 1 226 VAL HB 4.470 . 4.470 4.795 4.629 5.026 0.556 2 1 "[ + ]" 1
1619 1 151 PHE H 1 152 ALA H 5.230 . 5.230 4.295 4.027 4.447 . 0 0 "[ ]" 1
1620 1 151 PHE H 1 224 VAL HA 4.630 . 4.630 4.389 4.217 4.540 . 0 0 "[ ]" 1
1621 1 151 PHE H 1 224 VAL MG2 3.990 . 3.990 3.192 2.956 3.438 . 0 0 "[ ]" 1
1622 1 151 PHE H 1 225 VAL H 4.230 . 4.230 2.622 2.565 2.736 . 0 0 "[ ]" 1
1623 1 151 PHE H 1 225 VAL MG1 4.260 . 4.260 3.799 3.536 4.261 0.001 2 0 "[ ]" 1
1624 1 151 PHE H 1 225 VAL MG2 5.500 . 5.500 4.657 4.530 4.845 . 0 0 "[ ]" 1
1625 1 151 PHE H 1 226 VAL MG2 4.370 . 4.370 3.991 3.524 4.233 . 0 0 "[ ]" 1
1626 1 151 PHE HA 1 151 PHE HD1 4.670 . 4.670 3.156 3.039 3.376 . 0 0 "[ ]" 1
1627 1 151 PHE HB2 1 151 PHE HE1 5.010 . 5.010 4.856 4.690 4.959 . 0 0 "[ ]" 1
1628 1 151 PHE HB2 1 152 ALA H 5.350 . 5.350 4.352 4.273 4.461 . 0 0 "[ ]" 1
1629 1 151 PHE HB2 1 168 LEU QD . . 3.930 2.696 2.391 2.867 . 0 0 "[ ]" 1
1630 1 151 PHE HB3 1 223 ILE MD 5.500 . 5.500 5.676 5.521 5.876 0.376 3 0 "[ ]" 1
1631 1 151 PHE HB3 1 224 VAL MG2 5.250 . 5.250 5.373 5.215 5.485 0.235 1 0 "[ ]" 1
1632 1 151 PHE HB3 1 225 VAL HB 4.990 . 4.990 3.433 2.742 3.838 . 0 0 "[ ]" 1
1633 1 151 PHE HD1 1 168 LEU QD 5.500 . 5.500 4.320 3.968 4.695 . 0 0 "[ ]" 1
1634 1 151 PHE HD1 1 225 VAL HB 4.490 . 4.490 4.580 4.546 4.604 0.114 1 0 "[ ]" 1
1635 1 151 PHE HD1 1 225 VAL MG1 3.820 . 3.820 4.129 4.057 4.172 0.352 1 0 "[ ]" 1
1636 1 152 ALA H 1 152 ALA MB 3.270 . 3.270 2.369 2.306 2.410 . 0 0 "[ ]" 1
1637 1 152 ALA H 1 250 ALA MB 5.500 . 5.500 4.835 4.708 4.902 . 0 0 "[ ]" 1
1638 1 152 ALA H 1 251 VAL HA 5.390 . 5.390 5.096 5.000 5.279 . 0 0 "[ ]" 1
1639 1 152 ALA HA 1 153 ALA HA 5.150 . 5.150 4.529 4.470 4.562 . 0 0 "[ ]" 1
1640 1 152 ALA HA 1 153 ALA MB 4.290 . 4.290 3.902 3.857 3.938 . 0 0 "[ ]" 1
1641 1 152 ALA HA 1 223 ILE H 5.050 . 5.050 4.651 4.636 4.680 . 0 0 "[ ]" 1
1642 1 152 ALA HA 1 223 ILE MD 4.760 . 4.760 4.790 4.775 4.800 0.040 3 0 "[ ]" 1
1643 1 152 ALA HA 1 224 VAL HA 4.000 . 4.000 2.354 2.324 2.389 . 0 0 "[ ]" 1
1644 1 152 ALA HA 1 224 VAL HB 4.630 . 4.630 3.674 3.599 3.796 . 0 0 "[ ]" 1
1645 1 152 ALA HA 1 224 VAL MG1 4.460 . 4.460 4.829 4.778 4.883 0.423 2 0 "[ ]" 1
1646 1 152 ALA HA 1 224 VAL MG2 4.120 . 4.120 3.654 3.603 3.723 . 0 0 "[ ]" 1
1647 1 152 ALA HA 1 225 VAL H 5.100 . 5.100 3.783 3.735 3.820 . 0 0 "[ ]" 1
1648 1 152 ALA MB 1 153 ALA H 3.500 . 3.500 2.591 2.464 2.794 . 0 0 "[ ]" 1
1649 1 152 ALA MB 1 153 ALA HA 3.830 . 3.830 3.789 3.723 3.902 0.072 2 0 "[ ]" 1
1650 1 152 ALA MB 1 222 VAL MG2 3.400 . 3.400 3.099 3.006 3.251 . 0 0 "[ ]" 1
1651 1 152 ALA MB 1 224 VAL HA 3.580 . 3.580 3.499 3.451 3.587 0.007 1 0 "[ ]" 1
1652 1 152 ALA MB 1 224 VAL MG2 3.390 . 3.390 3.448 3.426 3.476 0.086 2 0 "[ ]" 1
1653 1 152 ALA MB 1 225 VAL H 5.220 . 5.220 4.512 4.429 4.575 . 0 0 "[ ]" 1
1654 1 152 ALA MB 1 251 VAL H 4.170 . 4.170 4.418 4.242 4.644 0.474 3 0 "[ ]" 1
1655 1 152 ALA MB 1 251 VAL HA 3.580 . 3.580 2.542 2.404 2.761 . 0 0 "[ ]" 1
1656 1 152 ALA MB 1 251 VAL MG2 3.170 . 3.170 2.647 2.405 3.008 . 0 0 "[ ]" 1
1657 1 152 ALA MB 1 254 ALA MB 3.260 . 3.260 2.013 1.990 2.027 . 0 0 "[ ]" 1
1658 1 152 ALA MB 1 256 PHE H 5.500 . 5.500 5.142 4.947 5.242 . 0 0 "[ ]" 1
1659 1 152 ALA MB 1 256 PHE QD 5.290 . 5.290 3.150 3.122 3.199 . 0 0 "[ ]" 1
1660 1 152 ALA MB 1 256 PHE QE 4.120 . 4.120 2.534 2.194 2.748 . 0 0 "[ ]" 1
1661 1 153 ALA H 1 222 VAL HA 4.860 . 4.860 4.580 4.429 4.687 . 0 0 "[ ]" 1
1662 1 153 ALA H 1 222 VAL MG2 3.930 . 3.930 2.856 2.642 2.989 . 0 0 "[ ]" 1
1663 1 153 ALA H 1 223 ILE H 4.480 . 4.480 2.953 2.948 2.957 . 0 0 "[ ]" 1
1664 1 153 ALA H 1 223 ILE MD 4.330 . 4.330 4.134 3.813 4.390 0.060 3 0 "[ ]" 1
1665 1 153 ALA H 1 223 ILE MG 5.500 . 5.500 4.986 4.833 5.105 . 0 0 "[ ]" 1
1666 1 153 ALA H 1 224 VAL HA 4.930 . 4.930 3.968 3.763 4.076 . 0 0 "[ ]" 1
1667 1 153 ALA H 1 224 VAL HB 5.310 . 5.310 4.894 4.819 4.937 . 0 0 "[ ]" 1
1668 1 153 ALA HA 1 154 HIS H 3.360 . 3.360 2.140 2.115 2.163 . 0 0 "[ ]" 1
1669 1 153 ALA HA 1 222 VAL MG2 5.070 . 5.070 4.013 3.782 4.193 . 0 0 "[ ]" 1
1670 1 153 ALA MB 1 154 HIS H 4.080 . 4.080 2.957 2.812 3.099 . 0 0 "[ ]" 1
1671 1 153 ALA MB 1 154 HIS HD2 3.990 . 3.990 3.350 3.150 3.745 . 0 0 "[ ]" 1
1672 1 153 ALA MB 1 155 VAL MG1 3.970 . 3.970 2.545 2.211 2.827 . 0 0 "[ ]" 1
1673 1 153 ALA MB 1 155 VAL MG2 5.480 . 5.480 4.179 3.894 4.472 . 0 0 "[ ]" 1
1674 1 153 ALA MB 1 164 MET ME 2.750 . 2.750 2.784 2.682 2.876 0.126 2 0 "[ ]" 1
1675 1 153 ALA MB 1 223 ILE MD 3.540 . 3.540 2.317 2.000 2.743 . 0 0 "[ ]" 1
1676 1 154 HIS H 1 154 HIS HB2 3.830 . 3.830 3.610 3.603 3.620 . 0 0 "[ ]" 1
1677 1 154 HIS H 1 154 HIS HB3 4.180 . 4.180 2.580 2.553 2.610 . 0 0 "[ ]" 1
1678 1 154 HIS H 1 154 HIS HD2 4.500 . 4.500 1.742 1.702 1.777 0.098 1 0 "[ ]" 1
1679 1 154 HIS H 1 155 VAL H 4.760 . 4.760 4.447 4.336 4.509 . 0 0 "[ ]" 1
1680 1 154 HIS H 1 164 MET ME 5.500 . 5.500 4.718 4.255 5.216 . 0 0 "[ ]" 1
1681 1 154 HIS HA 1 155 VAL H 3.540 . 3.540 2.150 2.146 2.154 . 0 0 "[ ]" 1
1682 1 154 HIS HA 1 155 VAL MG2 4.240 . 4.240 3.713 3.558 3.822 . 0 0 "[ ]" 1
1683 1 154 HIS HA 1 222 VAL HA 5.120 . 5.120 2.442 2.284 2.672 . 0 0 "[ ]" 1
1684 1 154 HIS HA 1 222 VAL MG1 5.140 . 5.140 4.680 4.530 4.816 . 0 0 "[ ]" 1
1685 1 154 HIS HB2 1 155 VAL H 4.480 . 4.480 3.474 3.316 3.727 . 0 0 "[ ]" 1
1686 1 154 HIS HB2 1 155 VAL MG1 4.520 . 4.520 4.704 4.659 4.765 0.245 2 0 "[ ]" 1
1687 1 154 HIS HB3 1 155 VAL H 5.000 . 5.000 4.339 4.248 4.469 . 0 0 "[ ]" 1
1688 1 154 HIS HD2 1 155 VAL MG1 4.020 . 4.020 3.952 3.902 4.004 . 0 0 "[ ]" 1
1689 1 155 VAL H 1 155 VAL MG1 3.810 . 3.810 2.693 2.535 2.792 . 0 0 "[ ]" 1
1690 1 155 VAL H 1 155 VAL MG2 3.130 . 3.130 2.131 2.078 2.232 . 0 0 "[ ]" 1
1691 1 155 VAL H 1 156 THR H 5.500 . 5.500 4.342 4.326 4.366 . 0 0 "[ ]" 1
1692 1 155 VAL H 1 161 ALA MB 5.500 . 5.500 5.147 4.880 5.352 . 0 0 "[ ]" 1
1693 1 155 VAL H 1 221 ASN QB 5.330 . 5.330 4.118 3.761 4.526 . 0 0 "[ ]" 1
1694 1 155 VAL H 1 222 VAL HA 4.980 . 4.980 2.570 2.503 2.693 . 0 0 "[ ]" 1
1695 1 155 VAL H 1 222 VAL HB 5.400 . 5.400 4.528 4.378 4.818 . 0 0 "[ ]" 1
1696 1 155 VAL H 1 223 ILE H 5.250 . 5.250 3.951 3.842 4.080 . 0 0 "[ ]" 1
1697 1 155 VAL HA 1 155 VAL MG1 3.480 . 3.480 2.386 2.319 2.430 . 0 0 "[ ]" 1
1698 1 155 VAL HA 1 156 THR H 3.560 . 3.560 2.170 2.140 2.199 . 0 0 "[ ]" 1
1699 1 155 VAL HA 1 161 ALA H 5.500 . 5.500 5.255 4.822 5.681 0.181 2 0 "[ ]" 1
1700 1 155 VAL HB 1 156 THR H 3.950 . 3.950 3.080 2.921 3.282 . 0 0 "[ ]" 1
1701 1 155 VAL HB 1 160 GLN H 5.500 . 5.500 5.198 4.862 5.559 0.059 2 0 "[ ]" 1
1702 1 155 VAL HB 1 161 ALA H 5.500 . 5.500 3.151 2.866 3.482 . 0 0 "[ ]" 1
1703 1 155 VAL HB 1 223 ILE MG 5.500 . 5.500 4.280 4.147 4.448 . 0 0 "[ ]" 1
1704 1 155 VAL MG1 1 156 THR H 3.950 . 3.950 4.012 3.931 4.131 0.181 2 0 "[ ]" 1
1705 1 155 VAL MG1 1 160 GLN QG 3.680 . 3.680 2.833 2.730 2.968 . 0 0 "[ ]" 1
1706 1 155 VAL MG1 1 161 ALA HA 3.450 . 3.450 2.763 2.534 3.183 . 0 0 "[ ]" 1
1707 1 155 VAL MG1 1 164 MET HB3 4.910 . 4.910 3.616 2.833 4.507 . 0 0 "[ ]" 1
1708 1 155 VAL MG1 1 164 MET ME 4.110 . 4.110 2.573 2.223 3.266 . 0 0 "[ ]" 1
1709 1 155 VAL MG1 1 222 VAL HA 5.310 . 5.310 3.825 3.738 3.971 . 0 0 "[ ]" 1
1710 1 155 VAL MG1 1 223 ILE MD 3.240 . 3.240 2.361 2.300 2.429 . 0 0 "[ ]" 1
1711 1 155 VAL MG2 1 158 GLU HA 5.060 . 5.060 4.913 4.544 5.234 0.174 2 0 "[ ]" 1
1712 1 155 VAL MG2 1 160 GLN H 5.500 . 5.500 5.465 5.038 5.747 0.247 2 0 "[ ]" 1
1713 1 155 VAL MG2 1 160 GLN QG 4.110 . 4.110 3.592 3.313 3.873 . 0 0 "[ ]" 1
1714 1 155 VAL MG2 1 161 ALA H 4.520 . 4.520 3.448 3.254 3.619 . 0 0 "[ ]" 1
1715 1 155 VAL MG2 1 161 ALA HA 4.060 . 4.060 2.966 2.805 3.256 . 0 0 "[ ]" 1
1716 1 155 VAL MG2 1 186 ILE MD 2.870 . 2.870 2.820 2.512 3.048 0.178 3 0 "[ ]" 1
1717 1 155 VAL MG2 1 221 ASN QB 4.290 . 4.290 4.513 4.256 4.690 0.400 2 0 "[ ]" 1
1718 1 155 VAL MG2 1 222 VAL H 3.880 . 3.880 4.062 3.536 4.333 0.453 2 0 "[ ]" 1
1719 1 155 VAL MG2 1 222 VAL HA 3.860 . 3.860 2.938 2.778 3.204 . 0 0 "[ ]" 1
1720 1 155 VAL MG2 1 223 ILE HB 5.500 . 5.500 4.177 3.965 4.318 . 0 0 "[ ]" 1
1721 1 155 VAL MG2 1 223 ILE MG 4.270 . 4.270 1.983 1.878 2.082 . 0 0 "[ ]" 1
1722 1 156 THR H 1 156 THR MG 3.470 . 3.470 2.527 1.901 3.712 0.242 1 0 "[ ]" 1
1723 1 156 THR HA 1 156 THR MG 3.360 . 3.360 2.637 2.253 3.166 . 0 0 "[ ]" 1
1724 1 156 THR HA 1 186 ILE MG 4.150 . 4.150 4.028 3.559 4.424 0.274 3 0 "[ ]" 1
1725 1 156 THR HB 1 157 SER H 5.500 . 5.500 2.785 1.874 4.420 . 0 0 "[ ]" 1
1726 1 156 THR HB 1 186 ILE MG 5.150 . 5.150 5.135 4.952 5.373 0.223 1 0 "[ ]" 1
1727 1 156 THR MG 1 157 SER H 4.110 . 4.110 3.182 1.791 4.238 0.128 2 0 "[ ]" 1
1728 1 157 SER H 1 157 SER HB2 4.170 . 4.170 3.012 2.441 3.962 . 0 0 "[ ]" 1
1729 1 157 SER H 1 158 GLU H 4.980 . 4.980 4.364 3.959 4.567 . 0 0 "[ ]" 1
1730 1 157 SER H 1 159 GLU H 5.160 . 5.160 5.429 5.399 5.462 0.302 2 0 "[ ]" 1
1731 1 157 SER H 1 160 GLN H 4.590 . 4.590 4.592 4.303 5.096 0.506 2 1 "[ + ]" 1
1732 1 157 SER H 1 186 ILE MD 4.680 . 4.680 3.862 2.680 4.593 . 0 0 "[ ]" 1
1733 1 157 SER H 1 186 ILE MG 4.560 . 4.560 3.697 3.017 4.044 . 0 0 "[ ]" 1
1734 1 157 SER HA 1 159 GLU H 4.660 . 4.660 4.540 4.023 4.822 0.162 1 0 "[ ]" 1
1735 1 157 SER HA 1 186 ILE MD 5.050 . 5.050 2.887 2.470 3.648 . 0 0 "[ ]" 1
1736 1 157 SER HB2 1 158 GLU H 4.130 . 4.130 3.306 3.077 3.509 . 0 0 "[ ]" 1
1737 1 157 SER HB2 1 159 GLU QG 4.800 . 4.800 4.364 4.070 4.539 . 0 0 "[ ]" 1
1738 1 157 SER HB2 1 186 ILE MD 5.410 . 5.410 4.906 4.717 5.024 . 0 0 "[ ]" 1
1739 1 157 SER HB3 1 158 GLU H 4.210 . 4.210 2.757 2.306 3.602 . 0 0 "[ ]" 1
1740 1 157 SER HB3 1 159 GLU H 4.220 . 4.220 3.805 3.406 4.267 0.047 2 0 "[ ]" 1
1741 1 157 SER HB3 1 186 ILE MG 4.850 . 4.850 4.214 3.271 5.480 0.630 2 1 "[ + ]" 1
1742 1 158 GLU H 1 158 GLU QB 3.630 . 3.630 2.404 2.220 2.532 . 0 0 "[ ]" 1
1743 1 158 GLU H 1 158 GLU HG2 4.470 . 4.470 2.843 2.015 3.743 . 0 0 "[ ]" 1
1744 1 158 GLU H 1 158 GLU HG3 4.140 . 4.140 3.479 3.281 3.682 . 0 0 "[ ]" 1
1745 1 158 GLU H 1 159 GLU H 3.280 . 3.280 2.900 2.392 3.181 . 0 0 "[ ]" 1
1746 1 158 GLU H 1 161 ALA MB 5.500 . 5.500 4.640 4.434 4.865 . 0 0 "[ ]" 1
1747 1 158 GLU H 1 186 ILE MD 4.090 . 4.090 3.205 3.026 3.365 . 0 0 "[ ]" 1
1748 1 158 GLU H 1 186 ILE MG 3.970 . 3.970 3.667 3.241 3.898 . 0 0 "[ ]" 1
1749 1 158 GLU HA 1 158 GLU HG2 3.880 . 3.880 2.978 2.410 3.652 . 0 0 "[ ]" 1
1750 1 158 GLU HA 1 158 GLU HG3 3.760 . 3.760 3.232 2.409 3.707 . 0 0 "[ ]" 1
1751 1 158 GLU HA 1 160 GLN QG 5.430 . 5.430 6.023 5.940 6.106 0.676 2 3 [*+-] 1
1752 1 158 GLU HA 1 161 ALA H 4.080 . 4.080 3.442 2.979 4.015 . 0 0 "[ ]" 1
1753 1 158 GLU HA 1 161 ALA MB 3.810 . 3.810 2.654 2.422 2.839 . 0 0 "[ ]" 1
1754 1 158 GLU HA 1 162 PHE H 4.620 . 4.620 3.086 2.481 4.021 . 0 0 "[ ]" 1
1755 1 158 GLU HA 1 162 PHE QD 4.720 . 4.720 4.523 3.949 4.971 0.251 3 0 "[ ]" 1
1756 1 158 GLU HA 1 186 ILE MD 3.360 . 3.360 2.856 2.027 3.273 . 0 0 "[ ]" 1
1757 1 158 GLU QB 1 159 GLU H 3.670 . 3.670 2.397 2.257 2.504 . 0 0 "[ ]" 1
1758 1 158 GLU QB 1 159 GLU HA 4.370 . 4.370 3.763 3.702 3.816 . 0 0 "[ ]" 1
1759 1 158 GLU QB 1 162 PHE H 4.860 . 4.860 4.001 3.448 4.807 . 0 0 "[ ]" 1
1760 1 158 GLU QB 1 162 PHE QD 4.790 . 4.790 3.146 2.463 3.987 . 0 0 "[ ]" 1
1761 1 158 GLU QB 1 186 ILE MD 4.900 . 4.900 4.113 3.495 4.443 . 0 0 "[ ]" 1
1762 1 158 GLU HG2 1 159 GLU H 4.830 . 4.830 4.641 4.305 4.913 0.083 2 0 "[ ]" 1
1763 1 158 GLU HG2 1 186 ILE MD 4.780 . 4.780 3.526 3.254 3.971 . 0 0 "[ ]" 1
1764 1 158 GLU HG2 1 195 TYR HB3 5.450 . 5.450 4.301 3.818 5.112 . 0 0 "[ ]" 1
1765 1 158 GLU HG3 1 159 GLU H 4.660 . 4.660 4.760 4.683 4.842 0.182 3 0 "[ ]" 1
1766 1 158 GLU HG3 1 162 PHE QD 5.100 . 5.100 4.953 4.426 5.233 0.133 2 0 "[ ]" 1
1767 1 158 GLU HG3 1 186 ILE MD 4.660 . 4.660 3.983 2.488 4.845 0.185 3 0 "[ ]" 1
1768 1 158 GLU HG3 1 195 TYR HB3 5.010 . 5.010 4.413 4.252 4.534 . 0 0 "[ ]" 1
1769 1 159 GLU H 1 159 GLU HB2 3.090 . 3.090 2.471 2.400 2.522 . 0 0 "[ ]" 1
1770 1 159 GLU H 1 159 GLU QG 3.210 . 3.210 2.170 2.048 2.269 . 0 0 "[ ]" 1
1771 1 159 GLU H 1 160 GLN H 3.320 . 3.320 2.858 2.799 2.895 . 0 0 "[ ]" 1
1772 1 159 GLU H 1 160 GLN HB2 5.500 . 5.500 5.392 5.285 5.452 . 0 0 "[ ]" 1
1773 1 159 GLU H 1 161 ALA H 5.020 . 5.020 4.704 4.608 4.890 . 0 0 "[ ]" 1
1774 1 159 GLU H 1 162 PHE QD 5.500 . 5.500 4.705 4.277 5.272 . 0 0 "[ ]" 1
1775 1 159 GLU H 1 186 ILE MD 5.500 . 5.500 5.176 4.562 5.514 0.014 3 0 "[ ]" 1
1776 1 159 GLU HA 1 159 GLU QG 3.090 . 3.090 2.388 2.267 2.623 . 0 0 "[ ]" 1
1777 1 159 GLU HA 1 162 PHE H 4.220 . 4.220 4.071 3.774 4.363 0.143 3 0 "[ ]" 1
1778 1 159 GLU HA 1 162 PHE HB2 3.780 . 3.780 3.190 2.747 3.849 0.069 3 0 "[ ]" 1
1779 1 159 GLU HA 1 162 PHE HB3 4.000 . 4.000 3.274 2.717 4.035 0.035 2 0 "[ ]" 1
1780 1 159 GLU HA 1 162 PHE QD 4.210 . 4.210 3.435 3.265 3.739 . 0 0 "[ ]" 1
1781 1 159 GLU HB2 1 160 GLN H 3.440 . 3.440 2.772 2.484 2.944 . 0 0 "[ ]" 1
1782 1 159 GLU HB3 1 160 GLN H 3.680 . 3.680 3.611 3.385 3.736 0.056 1 0 "[ ]" 1
1783 1 159 GLU QG 1 162 PHE QD 4.160 . 4.160 4.412 4.397 4.422 0.262 3 0 "[ ]" 1
1784 1 160 GLN H 1 162 PHE H 5.040 . 5.040 3.785 3.554 4.218 . 0 0 "[ ]" 1
1785 1 160 GLN H 1 163 ALA H 4.770 . 4.770 4.658 4.500 4.773 0.003 2 0 "[ ]" 1
1786 1 160 GLN HA 1 160 GLN QG 3.760 . 3.760 2.728 2.584 2.919 . 0 0 "[ ]" 1
1787 1 160 GLN HA 1 163 ALA H 5.500 . 5.500 3.852 3.501 4.028 . 0 0 "[ ]" 1
1788 1 160 GLN HA 1 164 MET H 5.500 . 5.500 3.890 3.198 4.255 . 0 0 "[ ]" 1
1789 1 160 GLN HB2 1 161 ALA H 4.160 . 4.160 3.615 3.569 3.697 . 0 0 "[ ]" 1
1790 1 160 GLN QG 1 164 MET H 4.620 . 4.620 4.187 3.355 4.793 0.173 3 0 "[ ]" 1
1791 1 161 ALA H 1 161 ALA MB 3.520 . 3.520 2.199 2.168 2.256 . 0 0 "[ ]" 1
1792 1 161 ALA H 1 162 PHE H 3.550 . 3.550 2.753 2.630 2.986 . 0 0 "[ ]" 1
1793 1 161 ALA H 1 163 ALA H 4.460 . 4.460 4.514 4.491 4.551 0.091 2 0 "[ ]" 1
1794 1 161 ALA H 1 164 MET H 5.090 . 5.090 5.112 4.823 5.351 0.261 3 0 "[ ]" 1
1795 1 161 ALA H 1 223 ILE MG 5.500 . 5.500 5.070 4.952 5.253 . 0 0 "[ ]" 1
1796 1 161 ALA HA 1 223 ILE MG 4.890 . 4.890 3.717 3.205 4.385 . 0 0 "[ ]" 1
1797 1 161 ALA MB 1 162 PHE H 3.860 . 3.860 2.437 2.357 2.517 . 0 0 "[ ]" 1
1798 1 162 PHE H 1 162 PHE HB2 4.000 . 4.000 2.260 2.126 2.521 . 0 0 "[ ]" 1
1799 1 162 PHE H 1 162 PHE HB3 4.140 . 4.140 3.054 2.624 3.452 . 0 0 "[ ]" 1
1800 1 162 PHE H 1 162 PHE QD 4.440 . 4.440 3.852 3.399 4.160 . 0 0 "[ ]" 1
1801 1 162 PHE H 1 163 ALA H 3.630 . 3.630 2.947 2.771 3.044 . 0 0 "[ ]" 1
1802 1 162 PHE H 1 163 ALA HA 5.500 . 5.500 5.489 5.387 5.554 0.054 1 0 "[ ]" 1
1803 1 162 PHE H 1 163 ALA MB 5.500 . 5.500 4.571 4.408 4.704 . 0 0 "[ ]" 1
1804 1 162 PHE H 1 164 MET H 4.370 . 4.370 4.794 4.560 5.011 0.641 3 1 "[ +]" 1
1805 1 162 PHE H 1 223 ILE MG 5.500 . 5.500 5.616 5.532 5.716 0.216 3 0 "[ ]" 1
1806 1 162 PHE HA 1 162 PHE QD 3.840 . 3.840 2.304 2.258 2.344 . 0 0 "[ ]" 1
1807 1 162 PHE HA 1 165 LEU QB 4.800 . 4.800 3.078 2.779 3.336 . 0 0 "[ ]" 1
1808 1 162 PHE HA 1 165 LEU MD2 4.070 . 4.070 3.425 3.172 3.797 . 0 0 "[ ]" 1
1809 1 162 PHE HB2 1 163 ALA H 4.380 . 4.380 3.270 2.722 3.776 . 0 0 "[ ]" 1
1810 1 162 PHE HB2 1 163 ALA MB 5.320 . 5.320 4.753 4.188 5.205 . 0 0 "[ ]" 1
1811 1 162 PHE HB3 1 163 ALA H 4.360 . 4.360 2.527 2.331 2.908 . 0 0 "[ ]" 1
1812 1 162 PHE HB3 1 163 ALA MB 4.530 . 4.530 3.846 3.750 4.012 . 0 0 "[ ]" 1
1813 1 162 PHE QD 1 163 ALA H 5.500 . 5.500 3.976 3.366 4.480 . 0 0 "[ ]" 1
1814 1 162 PHE QD 1 165 LEU H 5.500 . 5.500 5.665 5.510 5.897 0.397 2 0 "[ ]" 1
1815 1 162 PHE QD 1 165 LEU MD2 5.380 . 5.380 3.908 3.724 4.128 . 0 0 "[ ]" 1
1816 1 163 ALA H 1 163 ALA MB 2.820 . 2.820 2.206 2.171 2.225 . 0 0 "[ ]" 1
1817 1 163 ALA H 1 164 MET H 3.510 . 3.510 2.939 2.849 3.028 . 0 0 "[ ]" 1
1818 1 163 ALA H 1 165 LEU H 5.040 . 5.040 4.121 3.864 4.297 . 0 0 "[ ]" 1
1819 1 163 ALA H 1 165 LEU MD2 5.500 . 5.500 5.816 5.804 5.830 0.330 1 0 "[ ]" 1
1820 1 163 ALA HA 1 165 LEU H 5.500 . 5.500 4.417 4.016 4.711 . 0 0 "[ ]" 1
1821 1 163 ALA HA 1 166 ASP H 3.670 . 3.670 3.373 3.137 3.503 . 0 0 "[ ]" 1
1822 1 163 ALA HA 1 166 ASP QB . . 2.900 2.230 2.185 2.266 . 0 0 "[ ]" 1
1823 1 163 ALA MB 1 164 MET H 3.220 . 3.220 1.946 1.856 1.993 . 0 0 "[ ]" 1
1824 1 163 ALA MB 1 164 MET HB3 3.800 . 3.800 3.933 3.754 4.164 0.364 1 0 "[ ]" 1
1825 1 163 ALA MB 1 166 ASP QB 4.110 . 4.110 3.706 3.676 3.750 . 0 0 "[ ]" 1
1826 1 164 MET H 1 164 MET HB3 3.880 . 3.880 2.388 2.188 2.532 . 0 0 "[ ]" 1
1827 1 164 MET H 1 165 LEU H 4.000 . 4.000 3.045 2.951 3.127 . 0 0 "[ ]" 1
1828 1 164 MET H 1 166 ASP H 4.340 . 4.340 4.306 4.278 4.322 . 0 0 "[ ]" 1
1829 1 164 MET HA 1 167 LEU H 4.100 . 4.100 3.818 3.730 3.986 . 0 0 "[ ]" 1
1830 1 164 MET HB2 1 165 LEU H 4.530 . 4.530 3.990 3.834 4.148 . 0 0 "[ ]" 1
1831 1 164 MET HB3 1 164 MET ME 2.990 . 2.990 2.894 2.289 3.391 0.401 2 0 "[ ]" 1
1832 1 165 LEU H 1 165 LEU MD2 4.630 . 4.630 3.954 3.798 4.046 . 0 0 "[ ]" 1
1833 1 165 LEU H 1 166 ASP H 4.240 . 4.240 2.521 2.350 2.661 . 0 0 "[ ]" 1
1834 1 165 LEU H 1 167 LEU H 5.500 . 5.500 4.099 4.010 4.222 . 0 0 "[ ]" 1
1835 1 165 LEU HA 1 165 LEU MD2 3.420 . 3.420 3.483 3.412 3.551 0.131 1 0 "[ ]" 1
1836 1 165 LEU HA 1 168 LEU H 5.500 . 5.500 3.567 3.428 3.661 . 0 0 "[ ]" 1
1837 1 165 LEU HA 1 168 LEU HB2 5.180 . 5.180 3.301 3.046 3.647 . 0 0 "[ ]" 1
1838 1 165 LEU HA 1 168 LEU QD 4.300 . 4.300 3.527 3.359 3.713 . 0 0 "[ ]" 1
1839 1 165 LEU HA 1 168 LEU HG 5.130 . 5.130 5.423 5.256 5.610 0.480 2 0 "[ ]" 1
1840 1 165 LEU HA 1 169 LYS QG 4.620 . 4.620 4.323 4.052 4.620 0.000 2 0 "[ ]" 1
1841 1 165 LEU QB 1 166 ASP H 4.860 . 4.860 2.650 2.627 2.682 . 0 0 "[ ]" 1
1842 1 165 LEU MD2 1 166 ASP H 4.020 . 4.020 2.965 2.577 3.302 . 0 0 "[ ]" 1
1843 1 165 LEU MD2 1 166 ASP HA 4.210 . 4.210 2.576 2.398 2.787 . 0 0 "[ ]" 1
1844 1 165 LEU MD2 1 167 LEU H 4.740 . 4.740 4.594 4.285 4.782 0.042 3 0 "[ ]" 1
1845 1 165 LEU MD2 1 168 LEU H 5.390 . 5.390 5.315 5.133 5.495 0.105 1 0 "[ ]" 1
1846 1 165 LEU MD2 1 169 LYS H 4.320 . 4.320 3.871 3.511 4.115 . 0 0 "[ ]" 1
1847 1 165 LEU MD2 1 169 LYS QG 3.410 . 3.410 2.692 2.214 3.056 . 0 0 "[ ]" 1
1848 1 165 LEU MD2 1 170 THR H 5.500 . 5.500 5.067 4.778 5.260 . 0 0 "[ ]" 1
1849 1 166 ASP H 1 166 ASP QB 2.940 . 2.940 2.121 2.074 2.171 . 0 0 "[ ]" 1
1850 1 166 ASP H 1 167 LEU H 3.570 . 3.570 2.710 2.670 2.761 . 0 0 "[ ]" 1
1851 1 166 ASP H 1 169 LYS QG 5.500 . 5.500 5.427 5.319 5.567 0.067 3 0 "[ ]" 1
1852 1 166 ASP QB 1 167 LEU H 3.450 . 3.450 2.611 2.538 2.648 . 0 0 "[ ]" 1
1853 1 166 ASP QB 1 167 LEU QB 3.760 . 3.760 3.850 3.824 3.893 0.133 1 0 "[ ]" 1
1854 1 167 LEU H 1 167 LEU QB 3.350 . 3.350 2.258 2.069 2.599 . 0 0 "[ ]" 1
1855 1 167 LEU H 1 167 LEU HG 3.440 . 3.440 3.352 1.910 4.076 0.636 2 2 "[-+ ]" 1
1856 1 167 LEU H 1 168 LEU H 4.130 . 4.130 2.677 2.641 2.721 . 0 0 "[ ]" 1
1857 1 167 LEU H 1 168 LEU HA 5.500 . 5.500 5.182 5.125 5.219 . 0 0 "[ ]" 1
1858 1 167 LEU H 1 168 LEU HB2 5.120 . 5.120 4.815 4.781 4.853 . 0 0 "[ ]" 1
1859 1 167 LEU HA 1 170 THR H 3.930 . 3.930 3.549 3.292 3.804 . 0 0 "[ ]" 1
1860 1 167 LEU HA 1 170 THR MG 4.440 . 4.440 3.759 3.446 4.029 . 0 0 "[ ]" 1
1861 1 167 LEU QB 1 168 LEU H 3.970 . 3.970 2.431 2.088 3.113 . 0 0 "[ ]" 1
1862 1 167 LEU QB 1 168 LEU HA 4.710 . 4.710 4.207 4.173 4.264 . 0 0 "[ ]" 1
1863 1 167 LEU QD 1 168 LEU HA 4.220 . 4.220 3.053 2.347 3.414 . 0 0 "[ ]" 1
1864 1 167 LEU QD 1 168 LEU QD 3.790 . 3.790 3.698 3.189 4.151 0.361 2 0 "[ ]" 1
1865 1 167 LEU HG 1 168 LEU H 4.360 . 4.360 2.083 1.593 2.400 0.207 3 0 "[ ]" 1
1866 1 168 LEU H 1 168 LEU QD . . 4.520 3.701 3.568 3.787 . 0 0 "[ ]" 1
1867 1 168 LEU H 1 168 LEU HG 4.660 . 4.660 4.393 4.350 4.421 . 0 0 "[ ]" 1
1868 1 168 LEU H 1 170 THR H 5.160 . 5.160 4.828 4.699 4.977 . 0 0 "[ ]" 1
1869 1 168 LEU HA 1 168 LEU QD . . 3.280 2.716 2.422 2.876 . 0 0 "[ ]" 1
1870 1 168 LEU HA 1 168 LEU HG 4.170 . 4.170 2.347 2.271 2.413 . 0 0 "[ ]" 1
1871 1 168 LEU HB2 1 169 LYS H 4.310 . 4.310 3.932 3.865 3.983 . 0 0 "[ ]" 1
1872 1 168 LEU QD 1 169 LYS H 4.710 . 4.710 3.676 3.522 3.903 . 0 0 "[ ]" 1
1873 1 168 LEU QD 1 169 LYS HA 5.500 . 5.500 3.517 3.252 3.956 . 0 0 "[ ]" 1
1874 1 168 LEU QD 1 170 THR H 5.500 . 5.500 5.498 5.399 5.615 0.115 1 0 "[ ]" 1
1875 1 168 LEU QD 1 174 MET H 5.500 . 5.500 5.118 4.915 5.292 . 0 0 "[ ]" 1
1876 1 168 LEU QD 1 174 MET ME 3.350 . 3.350 2.760 2.612 3.004 . 0 0 "[ ]" 1
1877 1 168 LEU QD 1 180 VAL MG1 5.500 . 5.500 5.240 4.986 5.457 . 0 0 "[ ]" 1
1878 1 168 LEU QD 1 180 VAL MG2 4.310 . 4.310 3.992 3.668 4.406 0.096 3 0 "[ ]" 1
1879 1 168 LEU QD 1 225 VAL H 4.810 . 4.810 4.377 4.090 4.545 . 0 0 "[ ]" 1
1880 1 168 LEU QD 1 225 VAL HB 4.790 . 4.790 2.441 2.199 2.630 . 0 0 "[ ]" 1
1881 1 168 LEU QD 1 225 VAL MG1 3.390 . 3.390 2.129 2.083 2.170 . 0 0 "[ ]" 1
1882 1 168 LEU QD 1 225 VAL MG2 3.280 . 3.280 2.051 1.918 2.228 . 0 0 "[ ]" 1
1883 1 168 LEU HG 1 174 MET ME 4.420 . 4.420 3.504 3.230 3.738 . 0 0 "[ ]" 1
1884 1 168 LEU HG 1 174 MET HG2 4.770 . 4.770 3.173 3.105 3.290 . 0 0 "[ ]" 1
1885 1 169 LYS H 1 170 THR H 3.870 . 3.870 2.727 2.579 2.937 . 0 0 "[ ]" 1
1886 1 169 LYS H 1 171 ASP H 4.260 . 4.260 4.054 3.906 4.233 . 0 0 "[ ]" 1
1887 1 169 LYS HA 1 171 ASP H 4.840 . 4.840 3.837 3.402 4.689 . 0 0 "[ ]" 1
1888 1 169 LYS QB 1 170 THR H 5.500 . 5.500 2.201 2.177 2.247 . 0 0 "[ ]" 1
1889 1 170 THR H 1 170 THR HB 3.760 . 3.760 3.625 3.591 3.656 . 0 0 "[ ]" 1
1890 1 170 THR H 1 170 THR MG 3.290 . 3.290 2.066 1.872 2.354 . 0 0 "[ ]" 1
1891 1 170 THR H 1 171 ASP H 3.730 . 3.730 3.050 2.990 3.083 . 0 0 "[ ]" 1
1892 1 170 THR HA 1 170 THR HB 2.900 . 2.900 2.472 2.392 2.527 . 0 0 "[ ]" 1
1893 1 170 THR HA 1 170 THR MG 3.240 . 3.240 2.377 2.290 2.487 . 0 0 "[ ]" 1
1894 1 170 THR HA 1 175 ARG QD 4.240 . 4.240 3.535 2.632 4.071 . 0 0 "[ ]" 1
1895 1 170 THR HB 1 175 ARG QD 4.990 . 4.990 4.509 4.113 5.067 0.077 3 0 "[ ]" 1
1896 1 170 THR MG 1 171 ASP H 5.010 . 5.010 4.166 3.985 4.323 . 0 0 "[ ]" 1
1897 1 171 ASP H 1 173 LYS H 5.500 . 5.500 5.403 5.121 5.572 0.072 3 0 "[ ]" 1
1898 1 171 ASP H 1 174 MET H 5.410 . 5.410 4.544 4.270 4.887 . 0 0 "[ ]" 1
1899 1 171 ASP H 1 174 MET HB2 4.710 . 4.710 3.472 3.200 3.973 . 0 0 "[ ]" 1
1900 1 171 ASP H 1 175 ARG QG 5.500 . 5.500 3.916 3.310 4.984 . 0 0 "[ ]" 1
1901 1 171 ASP HB2 1 172 SER H 5.500 . 5.500 4.386 4.290 4.505 . 0 0 "[ ]" 1
1902 1 171 ASP HB2 1 174 MET H 5.010 . 5.010 3.557 2.769 4.056 . 0 0 "[ ]" 1
1903 1 171 ASP HB2 1 174 MET HB2 5.020 . 5.020 3.257 2.357 3.752 . 0 0 "[ ]" 1
1904 1 171 ASP HB3 1 173 LYS H 5.480 . 5.480 3.054 2.583 3.531 . 0 0 "[ ]" 1
1905 1 171 ASP HB3 1 173 LYS HG2 3.910 . 3.910 3.402 2.339 4.018 0.108 2 0 "[ ]" 1
1906 1 171 ASP HB3 1 173 LYS HG3 3.930 . 3.930 3.381 2.376 4.202 0.272 1 0 "[ ]" 1
1907 1 171 ASP HB3 1 174 MET HB2 4.870 . 4.870 2.881 2.355 3.376 . 0 0 "[ ]" 1
1908 1 172 SER QB 1 173 LYS H 3.640 . 3.640 3.423 3.352 3.463 . 0 0 "[ ]" 1
1909 1 172 SER QB 1 175 ARG QB 3.750 . 3.750 3.823 3.756 3.871 0.121 3 0 "[ ]" 1
1910 1 172 SER QB 1 175 ARG QD 4.040 . 4.040 3.976 3.940 3.997 . 0 0 "[ ]" 1
1911 1 173 LYS H 1 173 LYS HG2 4.970 . 4.970 2.158 1.781 2.388 0.019 1 0 "[ ]" 1
1912 1 173 LYS H 1 173 LYS HG3 5.190 . 5.190 2.921 1.793 3.707 0.007 2 0 "[ ]" 1
1913 1 173 LYS H 1 174 MET H 4.120 . 4.120 2.847 2.724 2.975 . 0 0 "[ ]" 1
1914 1 173 LYS H 1 175 ARG H 4.860 . 4.860 3.993 3.905 4.069 . 0 0 "[ ]" 1
1915 1 173 LYS H 1 176 LYS H 5.160 . 5.160 4.558 4.508 4.599 . 0 0 "[ ]" 1
1916 1 173 LYS H 1 176 LYS HG2 5.000 . 5.000 5.074 5.034 5.140 0.140 1 0 "[ ]" 1
1917 1 173 LYS HA 1 173 LYS HG2 3.970 . 3.970 3.142 2.690 3.692 . 0 0 "[ ]" 1
1918 1 173 LYS HA 1 173 LYS HG3 4.210 . 4.210 3.689 3.526 3.837 . 0 0 "[ ]" 1
1919 1 173 LYS HA 1 176 LYS H 4.560 . 4.560 3.563 3.527 3.609 . 0 0 "[ ]" 1
1920 1 173 LYS HG2 1 174 MET H 5.220 . 5.220 3.366 1.802 4.367 . 0 0 "[ ]" 1
1921 1 173 LYS HG3 1 174 MET H 5.410 . 5.410 3.331 2.230 4.295 . 0 0 "[ ]" 1
1922 1 174 MET H 1 174 MET HB2 4.040 . 4.040 2.235 2.130 2.342 . 0 0 "[ ]" 1
1923 1 174 MET H 1 174 MET ME 3.690 . 3.690 3.743 3.666 3.815 0.125 2 0 "[ ]" 1
1924 1 174 MET H 1 176 LYS H 5.030 . 5.030 4.117 4.038 4.251 . 0 0 "[ ]" 1
1925 1 174 MET H 1 180 VAL MG1 5.500 . 5.500 5.358 4.966 5.598 0.098 1 0 "[ ]" 1
1926 1 174 MET HA 1 174 MET ME 3.720 . 3.720 2.793 2.534 3.107 . 0 0 "[ ]" 1
1927 1 174 MET HA 1 177 ALA H 4.050 . 4.050 3.971 3.824 4.048 . 0 0 "[ ]" 1
1928 1 174 MET HA 1 177 ALA MB 4.480 . 4.480 3.244 3.029 3.357 . 0 0 "[ ]" 1
1929 1 174 MET HA 1 180 VAL MG1 4.260 . 4.260 3.711 2.972 4.113 . 0 0 "[ ]" 1
1930 1 174 MET ME 1 177 ALA MB 4.480 . 4.480 4.320 4.200 4.446 . 0 0 "[ ]" 1
1931 1 175 ARG H 1 175 ARG QB 3.660 . 3.660 2.342 2.304 2.390 . 0 0 "[ ]" 1
1932 1 175 ARG H 1 175 ARG QD 4.130 . 4.130 3.718 3.631 3.783 . 0 0 "[ ]" 1
1933 1 175 ARG H 1 175 ARG QG 3.670 . 3.670 2.280 2.169 2.354 . 0 0 "[ ]" 1
1934 1 175 ARG H 1 176 LYS H 4.050 . 4.050 2.584 2.550 2.606 . 0 0 "[ ]" 1
1935 1 175 ARG H 1 176 LYS HG2 4.680 . 4.680 4.627 4.600 4.677 . 0 0 "[ ]" 1
1936 1 175 ARG H 1 177 ALA H 4.830 . 4.830 4.024 3.979 4.061 . 0 0 "[ ]" 1
1937 1 175 ARG HA 1 175 ARG QD 3.400 . 3.400 3.944 3.871 4.060 0.660 1 2 "[+ -]" 1
1938 1 175 ARG HA 1 175 ARG QG 3.540 . 3.540 2.256 2.241 2.273 . 0 0 "[ ]" 1
1939 1 175 ARG HA 1 177 ALA H 4.980 . 4.980 3.355 3.267 3.461 . 0 0 "[ ]" 1
1940 1 175 ARG QD 1 176 LYS H 4.610 . 4.610 4.770 4.719 4.832 0.222 1 0 "[ ]" 1
1941 1 176 LYS H 1 176 LYS HB2 4.200 . 4.200 2.414 2.342 2.466 . 0 0 "[ ]" 1
1942 1 176 LYS H 1 176 LYS HG2 4.110 . 4.110 2.464 2.447 2.486 . 0 0 "[ ]" 1
1943 1 176 LYS H 1 176 LYS HG3 4.020 . 4.020 3.098 2.960 3.351 . 0 0 "[ ]" 1
1944 1 176 LYS H 1 177 ALA H 3.730 . 3.730 2.721 2.661 2.755 . 0 0 "[ ]" 1
1945 1 176 LYS H 1 177 ALA MB 4.230 . 4.230 4.322 4.256 4.357 0.127 2 0 "[ ]" 1
1946 1 176 LYS H 1 229 TRP HE1 5.040 . 5.040 4.916 4.842 5.033 . 0 0 "[ ]" 1
1947 1 176 LYS HA 1 176 LYS HG2 3.350 . 3.350 2.447 2.399 2.531 . 0 0 "[ ]" 1
1948 1 176 LYS HA 1 176 LYS HG3 3.850 . 3.850 3.641 3.634 3.648 . 0 0 "[ ]" 1
1949 1 176 LYS HA 1 229 TRP HE1 4.770 . 4.770 4.831 4.756 4.901 0.131 2 0 "[ ]" 1
1950 1 176 LYS HB2 1 177 ALA MB 4.420 . 4.420 4.213 4.165 4.247 . 0 0 "[ ]" 1
1951 1 176 LYS HB3 1 229 TRP HE1 5.130 . 5.130 3.116 3.054 3.183 . 0 0 "[ ]" 1
1952 1 176 LYS HG2 1 177 ALA H 4.650 . 4.650 4.637 4.607 4.660 0.010 3 0 "[ ]" 1
1953 1 176 LYS HG2 1 229 TRP HE1 5.390 . 5.390 5.608 5.576 5.671 0.281 2 0 "[ ]" 1
1954 1 176 LYS HG3 1 177 ALA H 4.830 . 4.830 5.210 5.141 5.337 0.507 1 1 "[+ ]" 1
1955 1 176 LYS HG3 1 229 TRP HE1 5.500 . 5.500 5.054 5.015 5.093 . 0 0 "[ ]" 1
1956 1 177 ALA H 1 177 ALA MB 3.060 . 3.060 2.300 2.279 2.335 . 0 0 "[ ]" 1
1957 1 177 ALA H 1 178 ASN H 4.810 . 4.810 4.568 4.557 4.578 . 0 0 "[ ]" 1
1958 1 177 ALA H 1 180 VAL MG1 5.500 . 5.500 4.287 3.841 4.623 . 0 0 "[ ]" 1
1959 1 177 ALA H 1 229 TRP HE1 4.370 . 4.370 4.042 3.864 4.200 . 0 0 "[ ]" 1
1960 1 177 ALA HA 1 229 TRP HE1 4.940 . 4.940 3.218 3.160 3.302 . 0 0 "[ ]" 1
1961 1 177 ALA HA 1 229 TRP HH2 4.960 . 4.960 5.246 5.239 5.253 0.293 2 0 "[ ]" 1
1962 1 177 ALA MB 1 178 ASN H 3.770 . 3.770 2.586 2.503 2.711 . 0 0 "[ ]" 1
1963 1 177 ALA MB 1 179 HIS H 4.680 . 4.680 2.759 2.652 2.844 . 0 0 "[ ]" 1
1964 1 177 ALA MB 1 180 VAL MG1 3.080 . 3.080 2.934 2.404 3.210 0.130 1 0 "[ ]" 1
1965 1 177 ALA MB 1 227 ALA HA 4.590 . 4.590 3.781 3.675 3.992 . 0 0 "[ ]" 1
1966 1 177 ALA MB 1 227 ALA MB 3.910 . 3.910 2.381 2.272 2.533 . 0 0 "[ ]" 1
1967 1 177 ALA MB 1 228 ARG H 5.500 . 5.500 2.776 2.604 2.981 . 0 0 "[ ]" 1
1968 1 177 ALA MB 1 229 TRP HE1 4.350 . 4.350 3.119 2.820 3.276 . 0 0 "[ ]" 1
1969 1 178 ASN H 1 179 HIS H 3.510 . 3.510 2.674 2.627 2.730 . 0 0 "[ ]" 1
1970 1 178 ASN H 1 179 HIS HA 5.500 . 5.500 5.212 5.170 5.250 . 0 0 "[ ]" 1
1971 1 178 ASN H 1 229 TRP HE1 5.500 . 5.500 5.408 5.342 5.494 . 0 0 "[ ]" 1
1972 1 178 ASN HB3 1 179 HIS H 5.040 . 5.040 3.541 3.487 3.583 . 0 0 "[ ]" 1
1973 1 178 ASN HB3 1 179 HIS HD2 5.350 . 5.350 4.374 2.483 5.364 0.014 2 0 "[ ]" 1
1974 1 179 HIS H 1 180 VAL H 5.160 . 5.160 4.346 4.288 4.387 . 0 0 "[ ]" 1
1975 1 179 HIS H 1 180 VAL MG1 4.230 . 4.230 4.072 3.552 4.349 0.119 2 0 "[ ]" 1
1976 1 179 HIS H 1 227 ALA HA 4.780 . 4.780 4.745 4.719 4.783 0.003 3 0 "[ ]" 1
1977 1 179 HIS H 1 228 ARG H 5.240 . 5.240 3.150 3.035 3.252 . 0 0 "[ ]" 1
1978 1 179 HIS HB3 1 203 GLU H 5.500 . 5.500 4.388 4.284 4.495 . 0 0 "[ ]" 1
1979 1 180 VAL H 1 180 VAL MG1 3.850 . 3.850 2.416 2.216 2.760 . 0 0 "[ ]" 1
1980 1 180 VAL H 1 181 MET H 5.500 . 5.500 4.246 4.159 4.345 . 0 0 "[ ]" 1
1981 1 180 VAL H 1 181 MET ME 5.440 . 5.440 3.488 3.133 4.133 . 0 0 "[ ]" 1
1982 1 180 VAL H 1 201 ASP QB 5.110 . 5.110 5.177 5.094 5.320 0.210 1 0 "[ ]" 1
1983 1 180 VAL H 1 203 GLU H 5.500 . 5.500 5.563 5.413 5.680 0.180 3 0 "[ ]" 1
1984 1 180 VAL HA 1 180 VAL MG1 3.680 . 3.680 2.920 2.460 3.151 . 0 0 "[ ]" 1
1985 1 180 VAL HA 1 181 MET ME 4.020 . 4.020 2.468 2.186 2.992 . 0 0 "[ ]" 1
1986 1 180 VAL HA 1 227 ALA HA 4.350 . 4.350 2.289 2.264 2.324 . 0 0 "[ ]" 1
1987 1 180 VAL MG1 1 227 ALA HA 4.170 . 4.170 3.903 2.943 4.415 0.245 1 0 "[ ]" 1
1988 1 180 VAL MG2 1 181 MET H 4.730 . 4.730 2.777 2.095 3.834 . 0 0 "[ ]" 1
1989 1 180 VAL MG2 1 181 MET ME 5.500 . 5.500 4.032 3.648 4.393 . 0 0 "[ ]" 1
1990 1 181 MET H 1 181 MET ME 3.460 . 3.460 2.453 1.918 3.254 . 0 0 "[ ]" 1
1991 1 181 MET H 1 182 SER H 5.500 . 5.500 4.446 4.397 4.494 . 0 0 "[ ]" 1
1992 1 181 MET H 1 226 VAL HB 4.340 . 4.340 3.846 3.775 3.948 . 0 0 "[ ]" 1
1993 1 181 MET H 1 227 ALA H 5.500 . 5.500 4.973 4.940 5.019 . 0 0 "[ ]" 1
1994 1 181 MET H 1 227 ALA HA 5.020 . 5.020 3.561 3.488 3.602 . 0 0 "[ ]" 1
1995 1 181 MET H 1 228 ARG H 5.500 . 5.500 5.465 5.342 5.534 0.034 2 0 "[ ]" 1
1996 1 181 MET HA 1 225 VAL MG1 5.160 . 5.160 4.615 4.533 4.699 . 0 0 "[ ]" 1
1997 1 181 MET HB2 1 182 SER H 5.180 . 5.180 2.819 2.707 2.929 . 0 0 "[ ]" 1
1998 1 181 MET HB3 1 181 MET ME 2.560 . 2.560 2.294 2.262 2.330 . 0 0 "[ ]" 1
1999 1 181 MET HB3 1 182 SER H 4.720 . 4.720 3.898 3.792 4.048 . 0 0 "[ ]" 1
2000 1 181 MET HB3 1 226 VAL H 5.040 . 5.040 5.202 5.159 5.230 0.190 2 0 "[ ]" 1
2001 1 181 MET ME 1 181 MET QG 3.200 . 3.200 2.327 2.296 2.351 . 0 0 "[ ]" 1
2002 1 181 MET ME 1 203 GLU H 4.190 . 4.190 3.646 3.270 4.206 0.016 2 0 "[ ]" 1
2003 1 181 MET ME 1 206 ALA MB 4.000 . 6.000 2.796 1.960 3.334 . 0 0 "[ ]" 1
2004 1 181 MET ME 1 226 VAL HB 5.500 . 5.500 3.683 3.633 3.760 . 0 0 "[ ]" 1
2005 1 181 MET ME 1 226 VAL MG1 3.540 . 3.540 2.755 2.614 2.860 . 0 0 "[ ]" 1
2006 1 181 MET ME 1 227 ALA HA 3.630 . 3.630 3.067 2.742 3.567 . 0 0 "[ ]" 1
2007 1 181 MET ME 1 228 ARG H 3.810 . 3.810 3.839 3.645 4.095 0.285 2 0 "[ ]" 1
2008 1 181 MET QG 1 225 VAL MG1 5.420 . 5.420 4.069 3.874 4.351 . 0 0 "[ ]" 1
2009 1 181 MET QG 1 226 VAL HA 4.650 . 4.650 4.392 4.112 4.850 0.200 2 0 "[ ]" 1
2010 1 182 SER H 1 206 ALA MB 4.000 . 6.000 6.281 6.154 6.503 0.503 1 1 "[+ ]" 1
2011 1 182 SER H 1 210 MET ME 5.500 . 5.500 3.511 3.425 3.649 . 0 0 "[ ]" 1
2012 1 182 SER H 1 225 VAL MG2 5.430 . 5.430 4.514 4.472 4.580 . 0 0 "[ ]" 1
2013 1 182 SER HA 1 210 MET ME 3.370 . 3.370 2.465 2.242 2.789 . 0 0 "[ ]" 1
2014 1 182 SER HA 1 224 VAL H 5.200 . 5.200 4.923 4.820 4.995 . 0 0 "[ ]" 1
2015 1 182 SER HA 1 225 VAL HA 4.110 . 4.110 2.237 2.225 2.251 . 0 0 "[ ]" 1
2016 1 182 SER HA 1 225 VAL MG1 4.670 . 4.670 3.436 3.347 3.567 . 0 0 "[ ]" 1
2017 1 182 SER HA 1 225 VAL MG2 4.130 . 4.130 2.366 2.294 2.410 . 0 0 "[ ]" 1
2018 1 182 SER HA 1 226 VAL H 4.710 . 4.710 3.461 3.418 3.504 . 0 0 "[ ]" 1
2019 1 182 SER HB2 1 183 ALA H 5.290 . 5.290 3.334 2.929 4.124 . 0 0 "[ ]" 1
2020 1 182 SER HB2 1 225 VAL HA 4.920 . 4.920 3.897 3.771 4.000 . 0 0 "[ ]" 1
2021 1 182 SER HB2 1 225 VAL MG2 3.200 . 3.200 2.248 2.246 2.249 . 0 0 "[ ]" 1
2022 1 182 SER HB3 1 225 VAL HA 5.240 . 5.240 3.995 3.455 4.967 . 0 0 "[ ]" 1
2023 1 182 SER HB3 1 225 VAL MG2 4.220 . 4.220 2.557 2.095 3.463 . 0 0 "[ ]" 1
2024 1 183 ALA H 1 184 TRP H 5.470 . 5.470 4.333 4.216 4.423 . 0 0 "[ ]" 1
2025 1 183 ALA H 1 210 MET ME 5.500 . 5.500 2.828 2.697 2.951 . 0 0 "[ ]" 1
2026 1 183 ALA H 1 223 ILE MG 5.040 . 5.040 5.202 5.122 5.259 0.219 3 0 "[ ]" 1
2027 1 183 ALA H 1 224 VAL H 5.030 . 5.030 3.302 3.266 3.364 . 0 0 "[ ]" 1
2028 1 183 ALA H 1 224 VAL MG1 4.600 . 4.600 2.945 2.850 3.046 . 0 0 "[ ]" 1
2029 1 183 ALA H 1 225 VAL HA 4.850 . 4.850 3.519 3.410 3.606 . 0 0 "[ ]" 1
2030 1 183 ALA H 1 225 VAL MG2 4.180 . 4.180 3.252 3.088 3.368 . 0 0 "[ ]" 1
2031 1 183 ALA HA 1 184 TRP HB3 5.280 . 5.280 4.369 4.185 4.522 . 0 0 "[ ]" 1
2032 1 183 ALA MB 1 184 TRP H 3.810 . 3.810 2.883 2.653 3.204 . 0 0 "[ ]" 1
2033 1 183 ALA MB 1 211 LEU H 4.560 . 4.560 3.666 3.513 3.817 . 0 0 "[ ]" 1
2034 1 183 ALA MB 1 211 LEU HA 3.700 . 3.700 3.171 3.108 3.213 . 0 0 "[ ]" 1
2035 1 183 ALA MB 1 211 LEU MD1 3.650 . 3.650 3.697 3.678 3.716 0.066 3 0 "[ ]" 1
2036 1 183 ALA MB 1 211 LEU MD2 3.850 . 3.850 2.032 1.969 2.153 . 0 0 "[ ]" 1
2037 1 184 TRP H 1 211 LEU MD1 5.310 . 5.310 5.295 5.185 5.367 0.057 3 0 "[ ]" 1
2038 1 184 TRP H 1 211 LEU MD2 4.050 . 4.050 3.735 3.622 3.918 . 0 0 "[ ]" 1
2039 1 184 TRP HA 1 214 ILE MD 4.100 . 4.100 3.538 2.755 3.991 . 0 0 "[ ]" 1
2040 1 184 TRP HA 1 224 VAL H 4.530 . 4.530 4.024 3.952 4.078 . 0 0 "[ ]" 1
2041 1 184 TRP HB2 1 185 ARG H 5.310 . 5.310 2.584 2.248 2.865 . 0 0 "[ ]" 1
2042 1 184 TRP HB3 1 185 ARG H 5.090 . 5.090 3.877 3.715 4.027 . 0 0 "[ ]" 1
2043 1 185 ARG H 1 186 ILE H 5.500 . 5.500 4.145 4.060 4.233 . 0 0 "[ ]" 1
2044 1 185 ARG H 1 186 ILE MD 4.130 . 4.130 4.157 3.494 4.528 0.398 2 0 "[ ]" 1
2045 1 185 ARG H 1 214 ILE MD 4.090 . 4.090 4.303 4.186 4.444 0.354 2 0 "[ ]" 1
2046 1 185 ARG HA 1 186 ILE HB 5.200 . 5.200 4.500 4.387 4.673 . 0 0 "[ ]" 1
2047 1 185 ARG HB2 1 186 ILE H 5.270 . 5.270 3.897 3.325 4.265 . 0 0 "[ ]" 1
2048 1 185 ARG HB2 1 220 TRP HD1 5.000 . 5.000 4.861 4.087 5.401 0.401 1 0 "[ ]" 1
2049 1 185 ARG HG3 1 186 ILE MG 5.500 . 5.500 5.553 5.230 5.891 0.391 2 0 "[ ]" 1
2050 1 185 ARG HG3 1 187 LYS H 5.500 . 5.500 5.271 4.781 5.622 0.122 2 0 "[ ]" 1
2051 1 185 ARG HG3 1 221 ASN H 5.500 . 5.500 4.785 2.907 5.763 0.263 3 0 "[ ]" 1
2052 1 186 ILE H 1 186 ILE MD 4.060 . 4.060 3.571 3.230 3.804 . 0 0 "[ ]" 1
2053 1 186 ILE H 1 186 ILE MG 4.240 . 4.240 3.805 3.788 3.828 . 0 0 "[ ]" 1
2054 1 186 ILE H 1 187 LYS H 5.050 . 5.050 4.412 4.388 4.425 . 0 0 "[ ]" 1
2055 1 186 ILE H 1 194 THR HB 4.560 . 4.560 4.498 4.337 4.581 0.021 3 0 "[ ]" 1
2056 1 186 ILE H 1 195 TYR H 3.860 . 3.860 3.234 2.764 3.971 0.111 1 0 "[ ]" 1
2057 1 186 ILE H 1 195 TYR HB2 5.360 . 5.360 4.265 3.561 5.051 . 0 0 "[ ]" 1
2058 1 186 ILE H 1 196 GLN H 5.500 . 5.500 5.474 5.049 5.725 0.225 1 0 "[ ]" 1
2059 1 186 ILE H 1 220 TRP HD1 5.160 . 5.160 4.363 4.135 4.733 . 0 0 "[ ]" 1
2060 1 186 ILE H 1 221 ASN H 5.500 . 5.500 5.204 4.940 5.732 0.232 3 0 "[ ]" 1
2061 1 186 ILE HA 1 220 TRP HD1 4.850 . 4.850 2.986 2.357 3.668 . 0 0 "[ ]" 1
2062 1 186 ILE HA 1 221 ASN H 4.850 . 4.850 3.040 2.612 3.663 . 0 0 "[ ]" 1
2063 1 186 ILE HB 1 186 ILE MD 3.710 . 3.710 2.603 2.244 3.217 . 0 0 "[ ]" 1
2064 1 186 ILE HB 1 194 THR HB 4.650 . 4.650 4.340 3.836 4.758 0.108 2 0 "[ ]" 1
2065 1 186 ILE HB 1 194 THR MG 5.000 . 5.000 5.021 4.774 5.184 0.184 2 0 "[ ]" 1
2066 1 186 ILE HB 1 195 TYR H 5.140 . 5.140 2.541 2.018 2.952 . 0 0 "[ ]" 1
2067 1 186 ILE HB 1 195 TYR HB2 4.540 . 4.540 3.152 2.799 3.736 . 0 0 "[ ]" 1
2068 1 186 ILE HB 1 195 TYR HB3 4.270 . 4.270 3.517 2.526 4.392 0.122 2 0 "[ ]" 1
2069 1 186 ILE MD 1 186 ILE MG 3.020 . 3.020 1.999 1.860 2.259 . 0 0 "[ ]" 1
2070 1 186 ILE MG 1 187 LYS H 3.840 . 3.840 2.488 2.214 2.836 . 0 0 "[ ]" 1
2071 1 186 ILE MG 1 187 LYS HA 3.910 . 3.910 3.697 3.517 3.805 . 0 0 "[ ]" 1
2072 1 186 ILE MG 1 188 GLN H 4.250 . 4.250 4.374 4.354 4.387 0.137 3 0 "[ ]" 1
2073 1 186 ILE MG 1 188 GLN HA 4.260 . 4.260 4.289 4.215 4.390 0.130 3 0 "[ ]" 1
2074 1 186 ILE MG 1 188 GLN HB2 5.500 . 5.500 4.977 4.007 5.577 0.077 1 0 "[ ]" 1
2075 1 186 ILE MG 1 194 THR H 5.500 . 5.500 5.667 5.616 5.740 0.240 2 0 "[ ]" 1
2076 1 186 ILE MG 1 194 THR HB 5.500 . 5.500 4.044 2.817 4.723 . 0 0 "[ ]" 1
2077 1 186 ILE MG 1 195 TYR HB2 4.420 . 4.420 4.222 3.974 4.484 0.064 1 0 "[ ]" 1
2078 1 186 ILE MG 1 221 ASN H 5.500 . 5.500 4.485 4.096 4.971 . 0 0 "[ ]" 1
2079 1 187 LYS H 1 187 LYS HB2 4.160 . 4.160 2.825 2.530 3.176 . 0 0 "[ ]" 1
2080 1 187 LYS H 1 188 GLN H 4.710 . 4.710 4.389 4.369 4.401 . 0 0 "[ ]" 1
2081 1 187 LYS H 1 189 ASP H 5.500 . 5.500 6.007 5.865 6.158 0.658 2 1 "[ + ]" 1
2082 1 187 LYS H 1 220 TRP HD1 5.500 . 5.500 2.658 1.771 3.471 0.029 2 0 "[ ]" 1
2083 1 187 LYS H 1 221 ASN H 4.660 . 4.660 3.875 3.620 4.054 . 0 0 "[ ]" 1
2084 1 187 LYS H 1 221 ASN HA 4.690 . 4.690 4.377 4.157 4.779 0.089 1 0 "[ ]" 1
2085 1 187 LYS H 1 221 ASN QB 5.300 . 5.300 5.041 4.581 5.327 0.027 1 0 "[ ]" 1
2086 1 187 LYS H 1 221 ASN HD21 5.360 . 5.360 3.473 2.634 4.536 . 0 0 "[ ]" 1
2087 1 187 LYS H 1 221 ASN HD22 5.070 . 5.070 2.970 2.771 3.265 . 0 0 "[ ]" 1
2088 1 187 LYS HA 1 187 LYS HD2 4.770 . 4.770 2.982 2.316 4.166 . 0 0 "[ ]" 1
2089 1 187 LYS HA 1 187 LYS HD3 4.780 . 4.780 3.484 2.251 4.605 . 0 0 "[ ]" 1
2090 1 187 LYS HA 1 188 GLN H 3.150 . 3.150 2.150 2.128 2.191 . 0 0 "[ ]" 1
2091 1 187 LYS HA 1 194 THR HB 3.950 . 3.950 2.620 2.335 2.889 . 0 0 "[ ]" 1
2092 1 187 LYS HA 1 194 THR MG 3.840 . 3.840 2.218 2.184 2.261 . 0 0 "[ ]" 1
2093 1 187 LYS HB2 1 187 LYS HD2 3.810 . 3.810 2.895 2.421 3.621 . 0 0 "[ ]" 1
2094 1 187 LYS HB2 1 187 LYS HD3 3.780 . 3.780 3.045 2.413 3.814 0.034 2 0 "[ ]" 1
2095 1 187 LYS HB2 1 188 GLN H 4.070 . 4.070 4.095 3.954 4.288 0.218 3 0 "[ ]" 1
2096 1 187 LYS HB2 1 220 TRP HD1 3.890 . 3.890 2.632 2.328 2.795 . 0 0 "[ ]" 1
2097 1 187 LYS HB2 1 221 ASN HD22 5.500 . 5.500 4.866 4.303 5.718 0.218 1 0 "[ ]" 1
2098 1 187 LYS HB3 1 188 GLN H 4.140 . 4.140 3.651 3.069 3.956 . 0 0 "[ ]" 1
2099 1 187 LYS HB3 1 220 TRP HD1 3.990 . 3.990 3.689 2.813 4.223 0.233 2 0 "[ ]" 1
2100 1 187 LYS HD2 1 188 GLN H 4.700 . 4.700 4.048 3.663 4.776 0.076 1 0 "[ ]" 1
2101 1 187 LYS HD2 1 220 TRP HD1 4.600 . 4.600 4.704 4.374 4.979 0.379 2 0 "[ ]" 1
2102 1 187 LYS HD3 1 188 GLN H 4.760 . 4.760 4.682 4.190 4.946 0.186 3 0 "[ ]" 1
2103 1 187 LYS HD3 1 220 TRP QB 5.120 . 5.120 4.341 4.121 4.556 . 0 0 "[ ]" 1
2104 1 187 LYS HD3 1 220 TRP HD1 4.270 . 4.270 4.312 4.111 4.538 0.268 1 0 "[ ]" 1
2105 1 187 LYS HD3 1 220 TRP HE1 5.380 . 5.380 4.553 3.490 5.685 0.305 2 0 "[ ]" 1
2106 1 188 GLN H 1 188 GLN HB2 3.290 . 3.290 2.564 2.328 2.826 . 0 0 "[ ]" 1
2107 1 188 GLN H 1 188 GLN HB3 3.360 . 3.360 3.250 2.531 3.644 0.284 1 0 "[ ]" 1
2108 1 188 GLN H 1 188 GLN QG 3.540 . 3.540 2.997 2.297 4.012 0.472 2 0 "[ ]" 1
2109 1 188 GLN H 1 189 ASP H 4.460 . 4.460 4.247 4.150 4.331 . 0 0 "[ ]" 1
2110 1 188 GLN H 1 191 SER H 5.500 . 5.500 5.291 4.705 5.660 0.160 3 0 "[ ]" 1
2111 1 188 GLN H 1 193 ALA H 4.950 . 4.950 4.927 4.865 5.039 0.089 3 0 "[ ]" 1
2112 1 188 GLN H 1 194 THR H 4.960 . 4.960 4.740 4.619 4.977 0.017 3 0 "[ ]" 1
2113 1 188 GLN H 1 194 THR HB 5.130 . 5.130 3.570 3.153 3.988 . 0 0 "[ ]" 1
2114 1 188 GLN HA 1 188 GLN QG 3.080 . 3.080 2.789 2.683 2.939 . 0 0 "[ ]" 1
2115 1 188 GLN HA 1 189 ASP H 2.830 . 2.830 2.111 2.089 2.124 . 0 0 "[ ]" 1
2116 1 188 GLN HB2 1 191 SER H 5.500 . 5.500 4.166 3.395 5.229 . 0 0 "[ ]" 1
2117 1 188 GLN HB2 1 193 ALA MB 4.220 . 4.220 3.572 2.520 4.228 0.008 3 0 "[ ]" 1
2118 1 188 GLN HB3 1 189 ASP H 3.690 . 3.690 3.786 3.446 4.245 0.555 2 1 "[ + ]" 1
2119 1 188 GLN HB3 1 191 SER HB2 3.890 . 3.890 2.843 2.307 3.912 0.022 2 0 "[ ]" 1
2120 1 188 GLN HB3 1 193 ALA H 4.180 . 4.180 3.281 2.475 3.934 . 0 0 "[ ]" 1
2121 1 188 GLN QG 1 189 ASP H 4.310 . 4.310 4.148 3.200 4.674 0.364 1 0 "[ ]" 1
2122 1 188 GLN QG 1 191 SER HB2 4.180 . 4.180 2.811 2.059 3.621 . 0 0 "[ ]" 1
2123 1 188 GLN QG 1 191 SER HB3 3.980 . 3.980 3.356 2.604 4.057 0.077 1 0 "[ ]" 1
2124 1 188 GLN QG 1 192 ALA MB 4.420 . 4.420 4.736 4.665 4.783 0.363 1 0 "[ ]" 1
2125 1 188 GLN QG 1 193 ALA H 3.990 . 3.990 2.368 2.077 2.913 . 0 0 "[ ]" 1
2126 1 188 GLN QG 1 193 ALA MB 4.170 . 4.170 2.316 2.154 2.553 . 0 0 "[ ]" 1
2127 1 189 ASP H 1 189 ASP HA 2.850 . 2.850 2.853 2.831 2.888 0.038 2 0 "[ ]" 1
2128 1 189 ASP H 1 189 ASP QB 2.700 . 2.700 2.323 2.231 2.393 . 0 0 "[ ]" 1
2129 1 189 ASP H 1 191 SER H 5.500 . 5.500 4.240 4.145 4.403 . 0 0 "[ ]" 1
2130 1 189 ASP HA 1 189 ASP QB 2.540 . 2.540 2.426 2.406 2.459 . 0 0 "[ ]" 1
2131 1 189 ASP QB 1 190 GLY HA2 4.410 . 4.410 4.361 4.019 4.666 0.256 1 0 "[ ]" 1
2132 1 189 ASP QB 1 190 GLY HA3 4.230 . 4.230 4.007 3.940 4.080 . 0 0 "[ ]" 1
2133 1 190 GLY H 1 191 SER H 4.040 . 4.040 2.567 2.293 2.900 . 0 0 "[ ]" 1
2134 1 190 GLY H 1 191 SER HA 5.040 . 5.040 5.042 4.978 5.084 0.044 2 0 "[ ]" 1
2135 1 190 GLY H 1 191 SER HB2 5.500 . 5.500 5.047 4.484 5.466 . 0 0 "[ ]" 1
2136 1 190 GLY HA2 1 191 SER H 3.540 . 3.540 3.399 3.171 3.568 0.028 3 0 "[ ]" 1
2137 1 191 SER H 1 191 SER HB2 3.590 . 3.590 2.647 2.400 2.921 . 0 0 "[ ]" 1
2138 1 191 SER HA 1 191 SER HB2 2.980 . 2.980 3.008 2.986 3.022 0.042 3 0 "[ ]" 1
2139 1 191 SER HA 1 191 SER HB3 3.000 . 3.000 2.551 2.480 2.657 . 0 0 "[ ]" 1
2140 1 191 SER HA 1 192 ALA H 3.580 . 3.580 2.586 2.446 2.661 . 0 0 "[ ]" 1
2141 1 191 SER HA 1 192 ALA HA 4.480 . 4.480 4.463 4.451 4.476 . 0 0 "[ ]" 1
2142 1 191 SER HA 1 192 ALA MB 4.190 . 4.190 3.922 3.888 3.957 . 0 0 "[ ]" 1
2143 1 191 SER HB2 1 192 ALA H 4.870 . 4.870 3.389 3.225 3.530 . 0 0 "[ ]" 1
2144 1 191 SER HB2 1 192 ALA MB 5.000 . 5.000 5.107 5.014 5.154 0.154 1 0 "[ ]" 1
2145 1 191 SER HB2 1 193 ALA MB 4.270 . 4.270 3.720 3.573 3.888 . 0 0 "[ ]" 1
2146 1 191 SER HB3 1 192 ALA H 4.570 . 4.570 2.067 1.923 2.337 . 0 0 "[ ]" 1
2147 1 191 SER HB3 1 192 ALA MB 4.850 . 4.850 4.129 3.953 4.387 . 0 0 "[ ]" 1
2148 1 191 SER HB3 1 193 ALA MB 4.270 . 4.270 3.158 3.119 3.182 . 0 0 "[ ]" 1
2149 1 192 ALA H 1 192 ALA MB 3.610 . 3.610 2.395 2.316 2.454 . 0 0 "[ ]" 1
2150 1 192 ALA H 1 193 ALA H 3.710 . 3.710 2.225 2.136 2.374 . 0 0 "[ ]" 1
2151 1 192 ALA H 1 193 ALA MB 5.500 . 5.500 3.683 3.607 3.772 . 0 0 "[ ]" 1
2152 1 192 ALA MB 1 193 ALA H 3.440 . 3.440 3.428 3.388 3.485 0.045 2 0 "[ ]" 1
2153 1 192 ALA MB 1 194 THR H 5.500 . 5.500 3.905 3.708 4.228 . 0 0 "[ ]" 1
2154 1 193 ALA H 1 193 ALA MB 2.590 . 2.590 2.229 2.214 2.240 . 0 0 "[ ]" 1
2155 1 193 ALA HA 1 194 THR H 2.580 . 2.580 2.499 2.313 2.628 0.048 1 0 "[ ]" 1
2156 1 193 ALA MB 1 194 THR H 3.490 . 3.490 3.683 3.645 3.708 0.218 2 0 "[ ]" 1
2157 1 193 ALA MB 1 194 THR MG 4.220 . 4.220 4.106 3.925 4.211 . 0 0 "[ ]" 1
2158 1 194 THR H 1 194 THR HB 3.680 . 3.680 3.624 3.460 3.708 0.028 2 0 "[ ]" 1
2159 1 194 THR H 1 194 THR MG 3.420 . 3.420 2.219 1.763 2.460 0.037 1 0 "[ ]" 1
2160 1 194 THR H 1 195 TYR H 4.610 . 4.610 4.498 4.495 4.500 . 0 0 "[ ]" 1
2161 1 194 THR HB 1 195 TYR H 3.610 . 3.610 2.915 2.799 2.995 . 0 0 "[ ]" 1
2162 1 194 THR MG 1 195 TYR H 3.880 . 3.880 3.949 3.888 3.990 0.110 2 0 "[ ]" 1
2163 1 194 THR MG 1 196 GLN QG 5.500 . 5.500 4.933 4.420 5.261 . 0 0 "[ ]" 1
2164 1 195 TYR H 1 196 GLN H 5.010 . 5.010 4.275 4.210 4.381 . 0 0 "[ ]" 1
2165 1 195 TYR HA 1 196 GLN H 3.490 . 3.490 2.350 2.129 2.753 . 0 0 "[ ]" 1
2166 1 197 ASP HA 1 198 SER H 3.180 . 3.180 2.337 2.184 2.575 . 0 0 "[ ]" 1
2167 1 198 SER H 1 199 ASP H 4.820 . 4.820 4.519 4.377 4.601 . 0 0 "[ ]" 1
2168 1 198 SER HB2 1 199 ASP H 4.750 . 4.750 3.603 3.182 4.019 . 0 0 "[ ]" 1
2169 1 199 ASP H 1 200 ASP H 4.680 . 4.680 4.310 4.221 4.358 . 0 0 "[ ]" 1
2170 1 199 ASP H 1 211 LEU MD2 5.500 . 5.500 4.255 3.628 5.345 . 0 0 "[ ]" 1
2171 1 199 ASP HA 1 200 ASP H 3.380 . 3.380 2.208 2.139 2.304 . 0 0 "[ ]" 1
2172 1 199 ASP HA 1 201 ASP H 4.570 . 4.570 4.448 4.160 4.839 0.269 1 0 "[ ]" 1
2173 1 199 ASP HB2 1 200 ASP H 5.110 . 5.110 3.768 3.354 4.089 . 0 0 "[ ]" 1
2174 1 200 ASP H 1 200 ASP HB3 3.860 . 3.860 3.459 2.850 3.947 0.087 1 0 "[ ]" 1
2175 1 200 ASP H 1 201 ASP H 3.910 . 3.910 3.073 2.511 3.918 0.008 1 0 "[ ]" 1
2176 1 200 ASP H 1 204 THR HA 5.450 . 5.450 4.608 4.085 4.999 . 0 0 "[ ]" 1
2177 1 200 ASP HA 1 201 ASP H 3.330 . 3.330 3.204 2.603 3.510 0.180 3 0 "[ ]" 1
2178 1 200 ASP HA 1 207 GLY H 3.930 . 3.930 4.014 3.932 4.074 0.144 1 0 "[ ]" 1
2179 1 200 ASP HB3 1 201 ASP H 4.160 . 4.160 3.578 2.664 4.362 0.202 2 0 "[ ]" 1
2180 1 200 ASP HB3 1 204 THR HA 5.170 . 5.170 3.391 2.379 4.075 . 0 0 "[ ]" 1
2181 1 200 ASP HB3 1 204 THR MG 5.500 . 5.500 4.888 4.216 5.256 . 0 0 "[ ]" 1
2182 1 202 GLY H 1 203 GLU H 3.290 . 3.290 3.167 2.887 3.329 0.039 2 0 "[ ]" 1
2183 1 202 GLY H 1 204 THR HA 5.500 . 5.500 4.740 4.479 4.881 . 0 0 "[ ]" 1
2184 1 202 GLY HA2 1 203 GLU HA 4.790 . 4.790 4.594 4.593 4.596 . 0 0 "[ ]" 1
2185 1 203 GLU H 1 204 THR H 4.710 . 4.710 4.106 3.970 4.242 . 0 0 "[ ]" 1
2186 1 203 GLU H 1 204 THR HA 5.500 . 5.500 4.979 4.856 5.077 . 0 0 "[ ]" 1
2187 1 203 GLU H 1 205 ALA H 5.500 . 5.500 5.499 5.331 5.603 0.103 3 0 "[ ]" 1
2188 1 203 GLU HA 1 205 ALA MB 5.500 . 5.500 4.586 4.477 4.790 . 0 0 "[ ]" 1
2189 1 203 GLU QB 1 205 ALA H 5.500 . 5.500 3.219 3.129 3.367 . 0 0 "[ ]" 1
2190 1 204 THR H 1 204 THR HB 4.130 . 4.130 2.588 2.396 2.843 . 0 0 "[ ]" 1
2191 1 204 THR H 1 204 THR MG 3.720 . 3.720 2.010 1.785 2.255 0.015 2 0 "[ ]" 1
2192 1 204 THR H 1 205 ALA H 4.870 . 4.870 2.856 2.820 2.906 . 0 0 "[ ]" 1
2193 1 204 THR HA 1 204 THR MG 3.700 . 3.700 3.176 3.144 3.192 . 0 0 "[ ]" 1
2194 1 204 THR HA 1 205 ALA H 3.570 . 3.570 3.526 3.518 3.538 . 0 0 "[ ]" 1
2195 1 204 THR HA 1 206 ALA H 4.910 . 4.910 4.487 4.398 4.627 . 0 0 "[ ]" 1
2196 1 204 THR HB 1 205 ALA H 4.410 . 4.410 3.954 3.845 4.125 . 0 0 "[ ]" 1
2197 1 204 THR MG 1 205 ALA H 2.760 . 2.760 1.949 1.916 1.998 . 0 0 "[ ]" 1
2198 1 204 THR MG 1 205 ALA MB 3.870 . 3.870 2.975 2.855 3.182 . 0 0 "[ ]" 1
2199 1 205 ALA H 1 206 ALA H 3.340 . 3.340 2.676 2.633 2.716 . 0 0 "[ ]" 1
2200 1 205 ALA H 1 206 ALA HA 5.500 . 5.500 5.290 5.253 5.321 . 0 0 "[ ]" 1
2201 1 205 ALA H 1 206 ALA MB 4.800 . 4.800 4.348 4.309 4.381 . 0 0 "[ ]" 1
2202 1 205 ALA H 1 207 GLY H 4.140 . 4.140 4.302 4.252 4.376 0.236 2 0 "[ ]" 1
2203 1 205 ALA HA 1 207 GLY H 5.110 . 5.110 4.790 4.772 4.819 . 0 0 "[ ]" 1
2204 1 205 ALA MB 1 206 ALA H 4.270 . 4.270 2.439 2.341 2.503 . 0 0 "[ ]" 1
2205 1 206 ALA H 1 206 ALA MB 3.390 . 3.390 2.228 2.215 2.236 . 0 0 "[ ]" 1
2206 1 206 ALA H 1 207 GLY H 3.620 . 3.620 2.765 2.699 2.818 . 0 0 "[ ]" 1
2207 1 206 ALA H 1 208 SER H 4.960 . 4.960 4.291 4.219 4.361 . 0 0 "[ ]" 1
2208 1 206 ALA MB 1 207 GLY H 3.980 . 3.980 2.260 2.178 2.308 . 0 0 "[ ]" 1
2209 1 206 ALA MB 1 208 SER H 5.430 . 5.430 4.480 4.417 4.531 . 0 0 "[ ]" 1
2210 1 207 GLY H 1 208 SER H 4.090 . 4.090 2.975 2.972 2.980 . 0 0 "[ ]" 1
2211 1 207 GLY H 1 209 ARG H 4.650 . 4.650 4.411 4.353 4.455 . 0 0 "[ ]" 1
2212 1 207 GLY QA 1 208 SER H 3.550 . 3.550 2.665 2.657 2.678 . 0 0 "[ ]" 1
2213 1 207 GLY QA 1 210 MET H 5.250 . 5.250 3.672 3.542 3.805 . 0 0 "[ ]" 1
2214 1 208 SER H 1 209 ARG H 3.740 . 3.740 2.761 2.730 2.803 . 0 0 "[ ]" 1
2215 1 208 SER H 1 210 MET H 4.870 . 4.870 4.492 4.421 4.574 . 0 0 "[ ]" 1
2216 1 208 SER H 1 211 LEU H 4.730 . 4.730 4.798 4.762 4.828 0.098 3 0 "[ ]" 1
2217 1 208 SER HA 1 211 LEU H 4.680 . 4.680 3.537 3.517 3.552 . 0 0 "[ ]" 1
2218 1 208 SER HA 1 212 HIS H 4.800 . 4.800 3.899 3.877 3.924 . 0 0 "[ ]" 1
2219 1 208 SER HB2 1 209 ARG H 4.470 . 4.470 3.253 2.534 3.640 . 0 0 "[ ]" 1
2220 1 208 SER HB3 1 209 ARG H 3.610 . 3.610 2.784 2.364 3.574 . 0 0 "[ ]" 1
2221 1 208 SER HB3 1 211 LEU H 5.500 . 5.500 5.531 5.507 5.564 0.064 1 0 "[ ]" 1
2222 1 209 ARG H 1 210 MET H 3.460 . 3.460 3.014 2.964 3.106 . 0 0 "[ ]" 1
2223 1 209 ARG H 1 211 LEU H 4.100 . 4.100 4.333 4.317 4.351 0.251 1 0 "[ ]" 1
2224 1 209 ARG H 1 212 HIS H 4.970 . 4.970 4.749 4.655 4.798 . 0 0 "[ ]" 1
2225 1 210 MET H 1 210 MET QG 4.270 . 4.270 2.837 2.268 3.948 . 0 0 "[ ]" 1
2226 1 210 MET H 1 211 LEU H 3.720 . 3.720 2.520 2.457 2.591 . 0 0 "[ ]" 1
2227 1 210 MET H 1 211 LEU HB2 5.500 . 5.500 4.265 4.231 4.329 . 0 0 "[ ]" 1
2228 1 210 MET H 1 211 LEU MD2 4.730 . 4.730 5.020 4.849 5.166 0.436 1 0 "[ ]" 1
2229 1 210 MET H 1 212 HIS H 4.640 . 4.640 3.931 3.816 4.138 . 0 0 "[ ]" 1
2230 1 210 MET H 1 213 LEU H 5.160 . 5.160 4.649 4.623 4.666 . 0 0 "[ ]" 1
2231 1 210 MET HA 1 210 MET ME 4.520 . 4.520 4.253 4.197 4.363 . 0 0 "[ ]" 1
2232 1 210 MET HA 1 213 LEU H 4.310 . 4.310 3.211 3.126 3.359 . 0 0 "[ ]" 1
2233 1 210 MET HA 1 213 LEU MD1 4.580 . 4.580 2.867 2.766 2.942 . 0 0 "[ ]" 1
2234 1 210 MET QB 1 210 MET ME 3.620 . 3.620 2.034 1.934 2.127 . 0 0 "[ ]" 1
2235 1 210 MET ME 1 225 VAL HA 3.390 . 3.390 2.838 2.261 3.262 . 0 0 "[ ]" 1
2236 1 210 MET ME 1 226 VAL H 3.420 . 3.420 2.697 2.485 2.986 . 0 0 "[ ]" 1
2237 1 210 MET ME 1 226 VAL HB 3.190 . 3.190 3.037 2.881 3.176 . 0 0 "[ ]" 1
2238 1 210 MET ME 1 226 VAL MG2 3.130 . 3.130 3.215 3.177 3.278 0.148 2 0 "[ ]" 1
2239 1 211 LEU H 1 211 LEU MD1 4.750 . 4.750 4.171 4.152 4.183 . 0 0 "[ ]" 1
2240 1 211 LEU H 1 211 LEU MD2 4.150 . 4.150 3.023 2.878 3.176 . 0 0 "[ ]" 1
2241 1 211 LEU H 1 212 HIS H 3.650 . 3.650 2.745 2.715 2.782 . 0 0 "[ ]" 1
2242 1 211 LEU H 1 213 LEU H 4.440 . 4.440 4.184 4.158 4.200 . 0 0 "[ ]" 1
2243 1 211 LEU H 1 213 LEU HB2 4.410 . 4.410 4.871 4.826 4.934 0.524 1 1 "[+ ]" 1
2244 1 211 LEU HA 1 211 LEU MD2 3.680 . 3.680 2.231 2.203 2.278 . 0 0 "[ ]" 1
2245 1 211 LEU HA 1 213 LEU H 4.160 . 4.160 4.528 4.454 4.598 0.438 3 0 "[ ]" 1
2246 1 211 LEU HA 1 214 ILE H 4.480 . 4.480 3.669 3.534 3.806 . 0 0 "[ ]" 1
2247 1 211 LEU HA 1 214 ILE MD 3.900 . 3.900 2.536 2.423 2.732 . 0 0 "[ ]" 1
2248 1 211 LEU HA 1 214 ILE MG 4.100 . 4.100 3.847 3.584 4.008 . 0 0 "[ ]" 1
2249 1 211 LEU HB2 1 212 HIS H 5.290 . 5.290 3.406 3.239 3.538 . 0 0 "[ ]" 1
2250 1 211 LEU HB3 1 212 HIS H 5.210 . 5.210 2.913 2.848 2.970 . 0 0 "[ ]" 1
2251 1 211 LEU HB3 1 214 ILE H 5.500 . 5.500 5.707 5.680 5.730 0.230 1 0 "[ ]" 1
2252 1 211 LEU MD1 1 212 HIS H 4.830 . 4.830 4.023 3.945 4.062 . 0 0 "[ ]" 1
2253 1 211 LEU MD1 1 213 LEU H 5.110 . 5.110 5.298 5.216 5.403 0.293 3 0 "[ ]" 1
2254 1 211 LEU MD1 1 214 ILE QG 3.850 . 3.850 2.681 2.488 2.951 . 0 0 "[ ]" 1
2255 1 211 LEU MD1 1 215 THR HB 5.500 . 5.500 4.053 3.724 4.529 . 0 0 "[ ]" 1
2256 1 212 HIS H 1 213 LEU H 3.590 . 3.590 2.374 2.353 2.387 . 0 0 "[ ]" 1
2257 1 212 HIS H 1 213 LEU MD1 5.500 . 5.500 5.564 5.506 5.625 0.125 3 0 "[ ]" 1
2258 1 212 HIS H 1 214 ILE H 4.580 . 4.580 4.133 4.085 4.170 . 0 0 "[ ]" 1
2259 1 212 HIS HA 1 214 ILE H 5.500 . 5.500 4.435 4.347 4.547 . 0 0 "[ ]" 1
2260 1 212 HIS HA 1 215 THR MG 4.620 . 4.620 3.662 3.649 3.683 . 0 0 "[ ]" 1
2261 1 212 HIS HA 1 216 ILE H 5.500 . 5.500 3.531 3.464 3.597 . 0 0 "[ ]" 1
2262 1 212 HIS HB2 1 216 ILE MD 4.800 . 4.800 4.374 4.155 4.590 . 0 0 "[ ]" 1
2263 1 213 LEU H 1 213 LEU HB3 4.020 . 4.020 3.137 3.119 3.167 . 0 0 "[ ]" 1
2264 1 213 LEU H 1 213 LEU MD1 3.630 . 3.630 3.924 3.878 3.972 0.342 3 0 "[ ]" 1
2265 1 213 LEU H 1 214 ILE QG 4.800 . 4.800 4.124 3.994 4.192 . 0 0 "[ ]" 1
2266 1 213 LEU HA 1 213 LEU MD1 3.470 . 3.470 3.665 3.657 3.675 0.205 2 0 "[ ]" 1
2267 1 213 LEU HA 1 213 LEU MD2 4.390 . 4.390 2.448 2.340 2.542 . 0 0 "[ ]" 1
2268 1 213 LEU HA 1 216 ILE H 4.950 . 4.950 4.180 4.101 4.234 . 0 0 "[ ]" 1
2269 1 213 LEU HA 1 216 ILE MD 3.170 . 3.170 2.294 2.280 2.311 . 0 0 "[ ]" 1
2270 1 213 LEU HA 1 216 ILE QG 3.580 . 3.580 2.745 2.652 2.838 . 0 0 "[ ]" 1
2271 1 213 LEU HB2 1 214 ILE H 4.890 . 4.890 3.303 3.220 3.363 . 0 0 "[ ]" 1
2272 1 213 LEU HB2 1 216 ILE MD 4.370 . 4.370 4.475 4.432 4.512 0.142 2 0 "[ ]" 1
2273 1 213 LEU MD2 1 214 ILE HA 3.780 . 3.780 3.689 3.608 3.765 . 0 0 "[ ]" 1
2274 1 213 LEU MD2 1 214 ILE MG 3.450 . 3.450 3.492 3.468 3.517 0.067 2 0 "[ ]" 1
2275 1 213 LEU MD2 1 216 ILE MD 3.620 . 3.620 3.142 3.030 3.269 . 0 0 "[ ]" 1
2276 1 214 ILE H 1 214 ILE MG 3.530 . 3.530 2.261 2.173 2.317 . 0 0 "[ ]" 1
2277 1 214 ILE H 1 215 THR HB 5.500 . 5.500 4.742 4.683 4.829 . 0 0 "[ ]" 1
2278 1 214 ILE H 1 216 ILE H 5.050 . 5.050 4.464 4.385 4.549 . 0 0 "[ ]" 1
2279 1 214 ILE HA 1 214 ILE MD 4.290 . 4.290 4.121 4.112 4.126 . 0 0 "[ ]" 1
2280 1 214 ILE HA 1 214 ILE MG 3.420 . 3.420 2.262 2.237 2.312 . 0 0 "[ ]" 1
2281 1 214 ILE HA 1 217 MET H 4.030 . 4.030 3.518 3.405 3.635 . 0 0 "[ ]" 1
2282 1 214 ILE HA 1 219 VAL MG1 3.570 . 3.570 2.657 2.501 2.904 . 0 0 "[ ]" 1
2283 1 214 ILE HA 1 256 PHE QE 4.370 . 4.370 3.424 3.209 3.598 . 0 0 "[ ]" 1
2284 1 214 ILE HB 1 219 VAL MG1 3.620 . 3.620 2.975 2.860 3.130 . 0 0 "[ ]" 1
2285 1 214 ILE MD 1 215 THR HA 4.750 . 4.750 4.767 4.716 4.820 0.070 3 0 "[ ]" 1
2286 1 214 ILE MD 1 224 VAL H 5.020 . 5.020 4.888 4.637 5.138 0.118 1 0 "[ ]" 1
2287 1 214 ILE MD 1 224 VAL MG1 3.170 . 3.170 3.272 3.065 3.391 0.221 3 0 "[ ]" 1
2288 1 214 ILE QG 1 224 VAL MG1 5.500 . 5.500 4.432 4.081 4.661 . 0 0 "[ ]" 1
2289 1 214 ILE QG 1 256 PHE QE 5.330 . 5.330 5.273 5.175 5.340 0.010 3 0 "[ ]" 1
2290 1 214 ILE MG 1 256 PHE QE 4.410 . 4.410 2.283 2.241 2.326 . 0 0 "[ ]" 1
2291 1 215 THR H 1 215 THR HB 4.020 . 4.020 2.625 2.569 2.691 . 0 0 "[ ]" 1
2292 1 215 THR H 1 216 ILE H 3.300 . 3.300 3.061 3.049 3.076 . 0 0 "[ ]" 1
2293 1 215 THR H 1 216 ILE HA 5.500 . 5.500 5.558 5.547 5.572 0.072 2 0 "[ ]" 1
2294 1 215 THR H 1 216 ILE MG 4.950 . 4.950 4.432 4.351 4.492 . 0 0 "[ ]" 1
2295 1 215 THR HA 1 215 THR MG 3.090 . 3.090 2.323 2.269 2.360 . 0 0 "[ ]" 1
2296 1 215 THR HB 1 216 ILE H 5.040 . 5.040 2.288 2.146 2.395 . 0 0 "[ ]" 1
2297 1 215 THR HB 1 216 ILE MG 4.410 . 4.410 3.043 2.928 3.141 . 0 0 "[ ]" 1
2298 1 215 THR HB 1 217 MET H 4.900 . 4.900 4.862 4.750 4.984 0.084 2 0 "[ ]" 1
2299 1 215 THR MG 1 216 ILE H 4.080 . 4.080 3.161 3.123 3.197 . 0 0 "[ ]" 1
2300 1 215 THR MG 1 216 ILE HB 5.500 . 5.500 5.120 5.034 5.227 . 0 0 "[ ]" 1
2301 1 215 THR MG 1 216 ILE MG 4.020 . 4.020 3.222 3.121 3.340 . 0 0 "[ ]" 1
2302 1 215 THR MG 1 217 MET H 4.940 . 4.940 5.031 4.986 5.056 0.116 3 0 "[ ]" 1
2303 1 216 ILE H 1 216 ILE HB 3.930 . 3.930 3.598 3.576 3.612 . 0 0 "[ ]" 1
2304 1 216 ILE H 1 216 ILE MD 3.880 . 3.880 3.321 3.270 3.381 . 0 0 "[ ]" 1
2305 1 216 ILE H 1 216 ILE QG 3.710 . 3.710 2.071 2.019 2.135 . 0 0 "[ ]" 1
2306 1 216 ILE H 1 216 ILE MG 3.330 . 3.330 2.045 1.969 2.095 . 0 0 "[ ]" 1
2307 1 216 ILE H 1 217 MET H 3.440 . 3.440 2.761 2.736 2.781 . 0 0 "[ ]" 1
2308 1 216 ILE HA 1 216 ILE MG 2.960 . 2.960 2.322 2.313 2.331 . 0 0 "[ ]" 1
2309 1 216 ILE HA 1 218 ASP H 4.320 . 4.320 4.276 4.213 4.367 0.047 2 0 "[ ]" 1
2310 1 216 ILE HB 1 216 ILE MD 3.300 . 3.300 2.492 2.441 2.542 . 0 0 "[ ]" 1
2311 1 216 ILE HB 1 217 MET H 4.420 . 4.420 3.671 3.627 3.741 . 0 0 "[ ]" 1
2312 1 216 ILE MD 1 217 MET H 4.130 . 4.130 3.554 3.472 3.655 . 0 0 "[ ]" 1
2313 1 216 ILE QG 1 216 ILE MG 3.040 . 3.040 2.399 2.361 2.440 . 0 0 "[ ]" 1
2314 1 216 ILE QG 1 217 MET H 4.120 . 4.120 1.839 1.750 1.951 0.050 3 0 "[ ]" 1
2315 1 216 ILE MG 1 217 MET H 4.070 . 4.070 3.776 3.692 3.837 . 0 0 "[ ]" 1
2316 1 217 MET H 1 218 ASP H 3.200 . 3.200 2.618 2.592 2.641 . 0 0 "[ ]" 1
2317 1 217 MET H 1 219 VAL H 4.890 . 4.890 4.580 4.283 5.093 0.203 1 0 "[ ]" 1
2318 1 217 MET H 1 219 VAL MG1 4.030 . 4.030 4.129 4.007 4.197 0.167 1 0 "[ ]" 1
2319 1 217 MET HA 1 217 MET ME 3.380 . 3.380 3.577 3.522 3.660 0.280 2 0 "[ ]" 1
2320 1 217 MET HB2 1 218 ASP H 3.990 . 3.990 2.790 2.725 2.835 . 0 0 "[ ]" 1
2321 1 217 MET HB3 1 217 MET ME 2.880 . 2.880 2.223 2.131 2.279 . 0 0 "[ ]" 1
2322 1 217 MET ME 1 219 VAL MG1 3.200 . 3.200 2.928 2.868 2.996 . 0 0 "[ ]" 1
2323 1 217 MET ME 1 251 VAL MG2 4.660 . 4.660 3.948 3.589 4.268 . 0 0 "[ ]" 1
2324 1 217 MET ME 1 252 VAL HA 4.530 . 4.530 4.678 4.602 4.817 0.287 2 0 "[ ]" 1
2325 1 217 MET ME 1 252 VAL MG2 5.070 . 5.070 3.851 3.615 3.992 . 0 0 "[ ]" 1
2326 1 217 MET ME 1 257 ASP HA 3.940 . 3.940 3.748 3.511 3.962 0.022 1 0 "[ ]" 1
2327 1 217 MET ME 1 257 ASP QB 3.210 . 3.210 3.273 3.225 3.342 0.132 1 0 "[ ]" 1
2328 1 218 ASP H 1 218 ASP HB2 3.920 . 3.920 3.585 3.163 3.915 . 0 0 "[ ]" 1
2329 1 218 ASP H 1 218 ASP HB3 4.050 . 4.050 3.733 3.247 4.042 . 0 0 "[ ]" 1
2330 1 218 ASP H 1 219 VAL H 3.800 . 3.800 2.586 2.362 2.918 . 0 0 "[ ]" 1
2331 1 218 ASP H 1 219 VAL MG1 4.240 . 4.240 3.241 3.123 3.370 . 0 0 "[ ]" 1
2332 1 218 ASP HA 1 219 VAL H 3.640 . 3.640 2.881 2.496 3.083 . 0 0 "[ ]" 1
2333 1 218 ASP HA 1 219 VAL MG1 4.080 . 4.080 4.147 3.840 4.384 0.304 3 0 "[ ]" 1
2334 1 218 ASP HB2 1 219 VAL H 4.530 . 4.530 4.431 4.286 4.580 0.050 2 0 "[ ]" 1
2335 1 218 ASP HB2 1 219 VAL MG1 5.210 . 5.210 5.331 4.983 5.677 0.467 2 0 "[ ]" 1
2336 1 219 VAL H 1 219 VAL HB 3.560 . 3.560 3.008 2.816 3.363 . 0 0 "[ ]" 1
2337 1 219 VAL H 1 219 VAL MG1 2.970 . 2.970 1.724 1.604 1.908 0.196 2 0 "[ ]" 1
2338 1 219 VAL H 1 220 TRP H 4.710 . 4.710 4.417 4.396 4.444 . 0 0 "[ ]" 1
2339 1 219 VAL HA 1 219 VAL MG1 3.410 . 3.410 3.177 3.162 3.197 . 0 0 "[ ]" 1
2340 1 219 VAL HA 1 219 VAL MG2 3.070 . 3.070 2.570 2.519 2.620 . 0 0 "[ ]" 1
2341 1 219 VAL HB 1 220 TRP H 3.780 . 3.780 3.973 3.781 4.078 0.298 3 0 "[ ]" 1
2342 1 219 VAL HB 1 222 VAL MG1 5.260 . 5.260 4.213 4.174 4.286 . 0 0 "[ ]" 1
2343 1 219 VAL HB 1 256 PHE HA 4.800 . 4.800 4.325 4.285 4.376 . 0 0 "[ ]" 1
2344 1 219 VAL HB 1 256 PHE HB3 4.640 . 4.640 4.568 4.305 4.700 0.060 2 0 "[ ]" 1
2345 1 219 VAL HB 1 257 ASP H 5.140 . 5.140 5.487 5.456 5.537 0.397 2 0 "[ ]" 1
2346 1 219 VAL HB 1 258 SER H 5.040 . 5.040 4.975 4.735 5.113 0.073 2 0 "[ ]" 1
2347 1 219 VAL MG1 1 256 PHE QE 3.360 . 3.360 2.735 2.558 3.035 . 0 0 "[ ]" 1
2348 1 219 VAL MG2 1 220 TRP H 3.460 . 3.460 2.559 2.174 2.828 . 0 0 "[ ]" 1
2349 1 219 VAL MG2 1 256 PHE HA 4.080 . 4.080 2.147 2.069 2.219 . 0 0 "[ ]" 1
2350 1 219 VAL MG2 1 256 PHE HB3 3.550 . 3.550 3.539 3.471 3.648 0.098 3 0 "[ ]" 1
2351 1 219 VAL MG2 1 256 PHE QD 3.480 . 3.480 3.177 3.032 3.415 . 0 0 "[ ]" 1
2352 1 219 VAL MG2 1 257 ASP H 5.120 . 5.120 4.386 4.317 4.463 . 0 0 "[ ]" 1
2353 1 219 VAL MG2 1 258 SER H 5.500 . 5.500 3.638 3.402 3.764 . 0 0 "[ ]" 1
2354 1 220 TRP H 1 220 TRP HD1 5.500 . 5.500 5.323 5.162 5.438 . 0 0 "[ ]" 1
2355 1 220 TRP H 1 221 ASN H 5.500 . 5.500 4.453 4.413 4.519 . 0 0 "[ ]" 1
2356 1 220 TRP H 1 222 VAL MG1 4.970 . 4.970 4.396 4.250 4.611 . 0 0 "[ ]" 1
2357 1 220 TRP HA 1 220 TRP HD1 3.710 . 3.710 3.519 3.056 4.177 0.467 2 0 "[ ]" 1
2358 1 220 TRP HA 1 222 VAL H 4.410 . 4.410 3.431 3.010 4.231 . 0 0 "[ ]" 1
2359 1 220 TRP HA 1 222 VAL MG1 4.120 . 4.120 3.659 3.423 4.108 . 0 0 "[ ]" 1
2360 1 220 TRP QB 1 221 ASN H 5.500 . 5.500 2.410 2.053 2.622 . 0 0 "[ ]" 1
2361 1 220 TRP QB 1 221 ASN HA 4.670 . 4.670 4.114 3.714 4.492 . 0 0 "[ ]" 1
2362 1 220 TRP HD1 1 221 ASN H 5.170 . 5.170 3.158 2.702 3.809 . 0 0 "[ ]" 1
2363 1 221 ASN H 1 221 ASN HD21 5.500 . 5.500 4.212 3.603 5.374 . 0 0 "[ ]" 1
2364 1 221 ASN H 1 221 ASN HD22 5.500 . 5.500 3.061 2.562 3.977 . 0 0 "[ ]" 1
2365 1 221 ASN H 1 222 VAL H 4.250 . 4.250 2.778 2.684 2.833 . 0 0 "[ ]" 1
2366 1 221 ASN H 1 222 VAL MG1 4.170 . 4.170 4.315 4.268 4.387 0.217 3 0 "[ ]" 1
2367 1 221 ASN QB 1 222 VAL H 4.780 . 4.780 3.425 3.155 3.894 . 0 0 "[ ]" 1
2368 1 221 ASN QB 1 222 VAL HB 5.230 . 5.230 3.821 3.691 3.992 . 0 0 "[ ]" 1
2369 1 222 VAL H 1 222 VAL MG1 3.200 . 3.200 2.433 2.137 3.003 . 0 0 "[ ]" 1
2370 1 222 VAL H 1 222 VAL MG2 4.070 . 4.070 3.949 3.845 4.119 0.049 1 0 "[ ]" 1
2371 1 222 VAL HA 1 222 VAL MG2 3.380 . 3.380 2.198 2.157 2.230 . 0 0 "[ ]" 1
2372 1 222 VAL HA 1 223 ILE MD 5.160 . 5.160 5.143 5.030 5.221 0.061 1 0 "[ ]" 1
2373 1 222 VAL HA 1 256 PHE QE 4.980 . 4.980 5.130 5.077 5.196 0.216 2 0 "[ ]" 1
2374 1 222 VAL HB 1 223 ILE H 4.370 . 4.370 4.188 4.135 4.255 . 0 0 "[ ]" 1
2375 1 222 VAL MG1 1 223 ILE H 4.460 . 4.460 3.434 3.322 3.520 . 0 0 "[ ]" 1
2376 1 222 VAL MG1 1 256 PHE H 4.440 . 4.440 4.615 4.544 4.665 0.225 3 0 "[ ]" 1
2377 1 222 VAL MG1 1 256 PHE QE 3.920 . 3.920 2.691 2.546 2.881 . 0 0 "[ ]" 1
2378 1 222 VAL MG1 1 257 ASP H 5.470 . 5.470 5.552 5.519 5.600 0.130 1 0 "[ ]" 1
2379 1 222 VAL MG2 1 223 ILE H 3.310 . 3.310 2.373 2.338 2.439 . 0 0 "[ ]" 1
2380 1 222 VAL MG2 1 256 PHE H 4.880 . 4.880 3.585 3.148 3.854 . 0 0 "[ ]" 1
2381 1 222 VAL MG2 1 256 PHE QE 3.180 . 3.180 2.227 2.183 2.276 . 0 0 "[ ]" 1
2382 1 222 VAL MG2 1 257 ASP H 5.500 . 5.500 5.480 5.048 5.706 0.206 3 0 "[ ]" 1
2383 1 223 ILE H 1 223 ILE MD 3.790 . 3.790 3.792 3.696 3.867 0.077 1 0 "[ ]" 1
2384 1 223 ILE H 1 223 ILE MG 4.060 . 4.060 2.863 2.723 3.013 . 0 0 "[ ]" 1
2385 1 223 ILE H 1 224 VAL H 5.460 . 5.460 4.473 4.454 4.484 . 0 0 "[ ]" 1
2386 1 223 ILE H 1 256 PHE QE 5.410 . 5.410 4.242 4.065 4.352 . 0 0 "[ ]" 1
2387 1 223 ILE HA 1 224 VAL MG1 3.860 . 3.860 3.342 3.293 3.401 . 0 0 "[ ]" 1
2388 1 223 ILE HA 1 256 PHE QE 5.230 . 5.230 4.849 4.748 4.944 . 0 0 "[ ]" 1
2389 1 223 ILE MD 1 224 VAL H 5.070 . 5.070 4.345 4.104 4.482 . 0 0 "[ ]" 1
2390 1 223 ILE HG12 1 224 VAL H 5.100 . 5.100 5.039 4.933 5.127 0.027 1 0 "[ ]" 1
2391 1 223 ILE HG13 1 223 ILE MG 3.540 . 3.540 3.171 3.167 3.177 . 0 0 "[ ]" 1
2392 1 223 ILE MG 1 224 VAL H 3.980 . 3.980 3.636 3.609 3.689 . 0 0 "[ ]" 1
2393 1 224 VAL H 1 224 VAL MG1 3.300 . 3.300 2.198 2.171 2.224 . 0 0 "[ ]" 1
2394 1 224 VAL HA 1 224 VAL MG1 3.510 . 3.510 3.173 3.168 3.177 . 0 0 "[ ]" 1
2395 1 224 VAL HA 1 224 VAL MG2 3.520 . 3.520 2.377 2.354 2.403 . 0 0 "[ ]" 1
2396 1 224 VAL HB 1 225 VAL H 4.330 . 4.330 3.852 3.840 3.866 . 0 0 "[ ]" 1
2397 1 224 VAL MG1 1 225 VAL H 4.320 . 4.320 3.801 3.799 3.803 . 0 0 "[ ]" 1
2398 1 224 VAL MG1 1 256 PHE QE 4.900 . 4.900 3.618 3.422 3.760 . 0 0 "[ ]" 1
2399 1 224 VAL MG2 1 225 VAL H 3.470 . 3.470 2.019 1.979 2.050 . 0 0 "[ ]" 1
2400 1 224 VAL MG2 1 225 VAL HA 3.930 . 3.930 3.392 3.369 3.416 . 0 0 "[ ]" 1
2401 1 225 VAL H 1 225 VAL MG1 3.830 . 3.830 3.800 3.775 3.841 0.011 2 0 "[ ]" 1
2402 1 225 VAL H 1 225 VAL MG2 3.910 . 3.910 3.197 3.164 3.240 . 0 0 "[ ]" 1
2403 1 225 VAL HA 1 225 VAL MG2 3.690 . 3.690 2.208 2.196 2.227 . 0 0 "[ ]" 1
2404 1 225 VAL MG1 1 226 VAL H 3.550 . 3.550 2.512 2.334 2.826 . 0 0 "[ ]" 1
2405 1 225 VAL MG1 1 226 VAL HA 4.910 . 4.910 3.615 3.511 3.785 . 0 0 "[ ]" 1
2406 1 225 VAL MG2 1 226 VAL H 4.910 . 4.910 3.895 3.853 3.934 . 0 0 "[ ]" 1
2407 1 226 VAL H 1 227 ALA H 5.500 . 5.500 4.450 4.411 4.485 . 0 0 "[ ]" 1
2408 1 226 VAL HA 1 227 ALA MB 4.540 . 4.540 3.897 3.791 3.954 . 0 0 "[ ]" 1
2409 1 226 VAL MG1 1 227 ALA H 4.320 . 4.320 2.326 2.010 2.502 . 0 0 "[ ]" 1
2410 1 226 VAL MG2 1 227 ALA H 5.500 . 5.500 3.679 3.518 3.780 . 0 0 "[ ]" 1
2411 1 226 VAL MG2 1 227 ALA HA 5.500 . 5.500 5.458 5.395 5.501 0.001 1 0 "[ ]" 1
2412 1 227 ALA H 1 228 ARG H 5.480 . 5.480 4.431 4.398 4.462 . 0 0 "[ ]" 1
2413 1 227 ALA MB 1 228 ARG H 4.220 . 4.220 2.738 2.693 2.762 . 0 0 "[ ]" 1
2414 1 228 ARG H 1 229 TRP H 5.500 . 5.500 4.568 4.561 4.576 . 0 0 "[ ]" 1
2415 1 229 TRP HA 1 235 ILE MD 4.000 . 6.000 6.636 6.578 6.737 0.737 1 3 [+*-] 1
2416 1 234 HIS HA 1 235 ILE MD 3.660 . 3.660 4.106 4.071 4.142 0.482 1 0 "[ ]" 1
2417 1 234 HIS HB3 1 235 ILE MD 5.500 . 5.500 5.614 5.507 5.670 0.170 1 0 "[ ]" 1
2418 1 234 HIS HD2 1 235 ILE MD 5.500 . 5.500 4.866 4.496 5.531 0.031 2 0 "[ ]" 1
2419 1 234 HIS HD2 1 239 ARG H 4.000 . 6.000 6.056 6.028 6.111 0.111 2 0 "[ ]" 1
2420 1 235 ILE HA 1 235 ILE MD 4.270 . 4.270 3.946 3.917 3.977 . 0 0 "[ ]" 1
2421 1 235 ILE MD 1 239 ARG H 4.000 . 6.000 6.379 6.353 6.408 0.408 2 0 "[ ]" 1
2422 1 235 ILE MD 1 240 PHE H 4.000 . 6.000 5.697 5.565 5.799 . 0 0 "[ ]" 1
2423 1 235 ILE MG 1 239 ARG H 4.000 . 6.000 5.243 4.853 5.551 . 0 0 "[ ]" 1
2424 1 235 ILE MG 1 240 PHE H 4.000 . 6.000 5.774 5.342 5.995 . 0 0 "[ ]" 1
2425 1 238 ASP H 1 239 ARG H 4.000 . 4.000 2.632 2.576 2.696 . 0 0 "[ ]" 1
2426 1 238 ASP H 1 240 PHE H 5.500 . 5.500 4.643 4.454 4.742 . 0 0 "[ ]" 1
2427 1 238 ASP HA 1 241 LYS H 4.930 . 4.930 3.959 3.925 3.988 . 0 0 "[ ]" 1
2428 1 239 ARG H 1 240 PHE H 4.290 . 4.290 2.795 2.615 2.911 . 0 0 "[ ]" 1
2429 1 239 ARG H 1 241 LYS H 4.650 . 4.650 4.583 4.563 4.605 . 0 0 "[ ]" 1
2430 1 239 ARG H 1 242 HIS H 5.500 . 5.500 4.824 4.758 4.909 . 0 0 "[ ]" 1
2431 1 239 ARG HB3 1 241 LYS H 5.500 . 5.500 5.643 5.607 5.697 0.197 2 0 "[ ]" 1
2432 1 240 PHE H 1 241 LYS H 4.040 . 4.040 3.179 3.153 3.208 . 0 0 "[ ]" 1
2433 1 240 PHE H 1 241 LYS HB2 5.230 . 5.230 5.331 5.249 5.471 0.241 1 0 "[ ]" 1
2434 1 240 PHE H 1 242 HIS H 5.040 . 5.040 4.468 4.282 4.607 . 0 0 "[ ]" 1
2435 1 240 PHE H 1 243 ILE MG 5.500 . 5.500 3.800 3.374 4.452 . 0 0 "[ ]" 1
2436 1 240 PHE HA 1 243 ILE H 5.040 . 5.040 4.251 3.914 4.430 . 0 0 "[ ]" 1
2437 1 240 PHE HA 1 243 ILE HB 4.900 . 4.900 4.421 4.072 5.024 0.124 2 0 "[ ]" 1
2438 1 240 PHE HA 1 243 ILE MG 4.220 . 4.220 2.796 2.077 4.068 . 0 0 "[ ]" 1
2439 1 240 PHE HA 1 244 ASN H 4.650 . 4.650 3.961 3.848 4.162 . 0 0 "[ ]" 1
2440 1 241 LYS H 1 242 HIS H 3.670 . 3.670 2.693 2.602 2.754 . 0 0 "[ ]" 1
2441 1 241 LYS H 1 243 ILE H 4.770 . 4.770 4.339 4.289 4.379 . 0 0 "[ ]" 1
2442 1 241 LYS H 1 243 ILE MG 5.500 . 5.500 4.601 4.145 5.429 . 0 0 "[ ]" 1
2443 1 241 LYS H 1 244 ASN H 5.100 . 5.100 4.631 4.587 4.662 . 0 0 "[ ]" 1
2444 1 241 LYS HA 1 244 ASN HB2 4.500 . 4.500 2.952 2.651 3.150 . 0 0 "[ ]" 1
2445 1 241 LYS HA 1 244 ASN HB3 4.680 . 4.680 4.063 3.501 4.532 . 0 0 "[ ]" 1
2446 1 241 LYS HB2 1 242 HIS H 4.450 . 4.450 2.893 2.393 3.651 . 0 0 "[ ]" 1
2447 1 241 LYS HB3 1 241 LYS QE 4.300 . 4.300 3.401 2.223 3.995 . 0 0 "[ ]" 1
2448 1 241 LYS HB3 1 242 HIS H 4.570 . 4.570 3.069 2.354 3.568 . 0 0 "[ ]" 1
2449 1 241 LYS QG 1 244 ASN H 5.500 . 5.500 5.373 5.160 5.516 0.016 3 0 "[ ]" 1
2450 1 241 LYS QG 1 244 ASN HB2 5.500 . 5.500 4.592 4.284 4.965 . 0 0 "[ ]" 1
2451 1 242 HIS H 1 243 ILE H 4.640 . 4.640 2.679 2.636 2.738 . 0 0 "[ ]" 1
2452 1 242 HIS H 1 243 ILE MG 5.500 . 5.500 4.206 4.128 4.282 . 0 0 "[ ]" 1
2453 1 242 HIS H 1 244 ASN H 4.480 . 4.480 3.887 3.835 3.970 . 0 0 "[ ]" 1
2454 1 242 HIS H 1 245 SER H 5.330 . 5.330 4.954 4.860 5.069 . 0 0 "[ ]" 1
2455 1 242 HIS HA 1 245 SER H 3.430 . 3.430 3.537 3.435 3.679 0.249 2 0 "[ ]" 1
2456 1 243 ILE H 1 243 ILE MG 4.370 . 4.370 2.562 2.240 2.767 . 0 0 "[ ]" 1
2457 1 243 ILE H 1 244 ASN H 4.100 . 4.100 2.742 2.610 2.886 . 0 0 "[ ]" 1
2458 1 243 ILE HA 1 245 SER H 4.170 . 4.170 4.318 4.294 4.338 0.168 2 0 "[ ]" 1
2459 1 243 ILE HB 1 247 ALA MB 5.500 . 5.500 4.921 3.771 5.555 0.055 3 0 "[ ]" 1
2460 1 243 ILE MD 1 243 ILE MG 3.550 . 3.550 2.729 1.816 3.205 . 0 0 "[ ]" 1
2461 1 243 ILE MD 1 247 ALA MB 4.820 . 4.820 4.791 4.429 5.137 0.317 2 0 "[ ]" 1
2462 1 243 ILE MG 1 244 ASN H 4.400 . 4.400 2.662 1.931 3.989 . 0 0 "[ ]" 1
2463 1 244 ASN H 1 244 ASN HB2 3.370 . 3.370 2.319 2.274 2.362 . 0 0 "[ ]" 1
2464 1 244 ASN H 1 244 ASN HB3 3.780 . 3.780 3.273 2.694 3.570 . 0 0 "[ ]" 1
2465 1 244 ASN H 1 244 ASN HD22 5.200 . 5.200 3.283 2.262 4.218 . 0 0 "[ ]" 1
2466 1 244 ASN H 1 245 SER H 3.580 . 3.580 2.714 2.696 2.745 . 0 0 "[ ]" 1
2467 1 244 ASN HA 1 247 ALA MB 3.760 . 3.760 2.626 2.466 2.795 . 0 0 "[ ]" 1
2468 1 244 ASN HB2 1 245 SER H 3.850 . 3.850 2.894 2.510 3.596 . 0 0 "[ ]" 1
2469 1 244 ASN HB2 1 245 SER HA 5.210 . 5.210 4.840 4.487 5.464 0.254 3 0 "[ ]" 1
2470 1 244 ASN HB3 1 245 SER H 4.040 . 4.040 2.957 2.340 3.282 . 0 0 "[ ]" 1
2471 1 244 ASN HD22 1 245 SER H 5.500 . 5.500 4.619 4.424 4.791 . 0 0 "[ ]" 1
2472 1 245 SER H 1 246 THR H 3.730 . 3.730 2.720 2.708 2.731 . 0 0 "[ ]" 1
2473 1 245 SER H 1 247 ALA H 4.640 . 4.640 4.007 3.919 4.169 . 0 0 "[ ]" 1
2474 1 245 SER HA 1 247 ALA MB 5.110 . 5.110 4.767 4.631 4.885 . 0 0 "[ ]" 1
2475 1 245 SER HB2 1 246 THR H 3.580 . 3.580 3.620 3.535 3.746 0.166 1 0 "[ ]" 1
2476 1 246 THR H 1 246 THR MG 3.540 . 3.540 3.730 3.727 3.732 0.192 1 0 "[ ]" 1
2477 1 246 THR H 1 247 ALA H 4.150 . 4.150 2.642 2.602 2.710 . 0 0 "[ ]" 1
2478 1 246 THR HA 1 246 THR MG 3.670 . 3.670 2.347 2.337 2.354 . 0 0 "[ ]" 1
2479 1 246 THR MG 1 247 ALA HA 3.300 . 3.300 3.427 3.397 3.455 0.155 3 0 "[ ]" 1
2480 1 246 THR MG 1 250 ALA H 5.500 . 5.500 3.759 3.618 3.845 . 0 0 "[ ]" 1
2481 1 247 ALA H 1 247 ALA MB 3.190 . 3.190 2.216 2.193 2.247 . 0 0 "[ ]" 1
2482 1 247 ALA H 1 250 ALA H 5.500 . 5.500 4.702 4.589 4.760 . 0 0 "[ ]" 1
2483 1 247 ALA MB 1 248 ARG H 3.530 . 3.530 2.191 2.109 2.266 . 0 0 "[ ]" 1
2484 1 247 ALA MB 1 250 ALA H 4.830 . 4.830 4.497 4.340 4.664 . 0 0 "[ ]" 1
2485 1 247 ALA MB 1 251 VAL MG1 5.410 . 5.410 3.881 3.857 3.903 . 0 0 "[ ]" 1
2486 1 248 ARG H 1 249 GLU H 3.500 . 3.500 2.846 2.829 2.873 . 0 0 "[ ]" 1
2487 1 248 ARG H 1 250 ALA H 4.550 . 4.550 4.482 4.395 4.546 . 0 0 "[ ]" 1
2488 1 248 ARG H 1 251 VAL MG1 4.290 . 4.290 4.026 3.982 4.085 . 0 0 "[ ]" 1
2489 1 248 ARG HA 1 250 ALA H 4.700 . 4.700 4.697 4.644 4.754 0.054 2 0 "[ ]" 1
2490 1 248 ARG HA 1 251 VAL H 4.400 . 4.400 3.905 3.870 3.944 . 0 0 "[ ]" 1
2491 1 248 ARG HA 1 251 VAL HB 4.050 . 4.050 4.276 4.270 4.281 0.231 1 0 "[ ]" 1
2492 1 248 ARG HA 1 251 VAL MG1 3.570 . 3.570 2.098 2.077 2.137 . 0 0 "[ ]" 1
2493 1 248 ARG HA 1 252 VAL H 4.830 . 4.830 3.716 3.682 3.739 . 0 0 "[ ]" 1
2494 1 249 GLU H 1 249 GLU HB2 3.870 . 3.870 2.438 2.401 2.477 . 0 0 "[ ]" 1
2495 1 249 GLU H 1 249 GLU HG3 5.180 . 5.180 3.158 2.306 3.598 . 0 0 "[ ]" 1
2496 1 249 GLU H 1 250 ALA H 3.530 . 3.530 2.739 2.693 2.771 . 0 0 "[ ]" 1
2497 1 249 GLU H 1 251 VAL H 4.760 . 4.760 4.507 4.490 4.528 . 0 0 "[ ]" 1
2498 1 249 GLU H 1 252 VAL H 5.500 . 5.500 4.821 4.802 4.831 . 0 0 "[ ]" 1
2499 1 249 GLU H 1 252 VAL MG2 5.320 . 5.320 4.644 4.632 4.669 . 0 0 "[ ]" 1
2500 1 249 GLU HA 1 249 GLU HG2 3.960 . 3.960 2.746 2.457 2.915 . 0 0 "[ ]" 1
2501 1 249 GLU HA 1 252 VAL HB 4.180 . 4.180 2.564 2.524 2.616 . 0 0 "[ ]" 1
2502 1 249 GLU HA 1 252 VAL MG1 3.580 . 3.580 3.683 3.656 3.720 0.140 2 0 "[ ]" 1
2503 1 249 GLU HA 1 252 VAL MG2 3.910 . 3.910 3.459 3.426 3.477 . 0 0 "[ ]" 1
2504 1 249 GLU HB3 1 250 ALA H 4.110 . 4.110 3.478 3.441 3.506 . 0 0 "[ ]" 1
2505 1 249 GLU HG2 1 250 ALA H 4.920 . 4.920 4.545 4.289 4.995 0.075 1 0 "[ ]" 1
2506 1 250 ALA H 1 251 VAL H 3.440 . 3.440 2.972 2.955 2.989 . 0 0 "[ ]" 1
2507 1 250 ALA H 1 251 VAL MG1 4.390 . 4.390 3.876 3.822 3.945 . 0 0 "[ ]" 1
2508 1 250 ALA MB 1 253 ARG H 5.500 . 5.500 4.616 4.577 4.680 . 0 0 "[ ]" 1
2509 1 251 VAL H 1 251 VAL HB 4.140 . 4.140 2.469 2.443 2.485 . 0 0 "[ ]" 1
2510 1 251 VAL H 1 251 VAL MG1 3.300 . 3.300 2.013 1.955 2.069 . 0 0 "[ ]" 1
2511 1 251 VAL H 1 251 VAL MG2 3.760 . 3.760 3.722 3.719 3.726 . 0 0 "[ ]" 1
2512 1 251 VAL H 1 252 VAL H 3.570 . 3.570 2.795 2.761 2.833 . 0 0 "[ ]" 1
2513 1 251 VAL H 1 253 ARG H 4.080 . 4.080 4.153 4.145 4.158 0.078 1 0 "[ ]" 1
2514 1 251 VAL H 1 254 ALA H 4.830 . 4.830 4.674 4.632 4.710 . 0 0 "[ ]" 1
2515 1 251 VAL HA 1 251 VAL MG1 3.260 . 3.260 3.201 3.198 3.203 . 0 0 "[ ]" 1
2516 1 251 VAL HA 1 251 VAL MG2 3.240 . 3.240 2.311 2.263 2.351 . 0 0 "[ ]" 1
2517 1 251 VAL HA 1 254 ALA H 4.790 . 4.790 3.215 3.140 3.276 . 0 0 "[ ]" 1
2518 1 251 VAL HA 1 254 ALA MB 3.580 . 3.580 2.438 2.414 2.483 . 0 0 "[ ]" 1
2519 1 251 VAL HA 1 255 GLY H 5.500 . 5.500 5.373 4.791 5.706 0.206 3 0 "[ ]" 1
2520 1 251 VAL HA 1 256 PHE QD 4.240 . 4.240 3.739 3.597 3.875 . 0 0 "[ ]" 1
2521 1 251 VAL HA 1 256 PHE QE 5.110 . 5.110 4.515 4.247 4.712 . 0 0 "[ ]" 1
2522 1 251 VAL HB 1 252 VAL H 3.620 . 3.620 3.711 3.692 3.725 0.105 3 0 "[ ]" 1
2523 1 251 VAL HB 1 252 VAL MG2 5.000 . 5.000 4.947 4.937 4.952 . 0 0 "[ ]" 1
2524 1 251 VAL MG1 1 252 VAL H 3.500 . 3.500 1.721 1.693 1.737 0.107 1 0 "[ ]" 1
2525 1 251 VAL MG1 1 252 VAL HB 4.840 . 4.840 3.477 3.465 3.495 . 0 0 "[ ]" 1
2526 1 251 VAL MG1 1 252 VAL MG2 3.680 . 3.680 2.232 2.221 2.243 . 0 0 "[ ]" 1
2527 1 251 VAL MG1 1 253 ARG H 3.970 . 3.970 4.032 4.022 4.039 0.069 3 0 "[ ]" 1
2528 1 251 VAL MG1 1 254 ALA MB 5.500 . 5.500 4.566 4.529 4.585 . 0 0 "[ ]" 1
2529 1 251 VAL MG1 1 256 PHE HB2 4.860 . 4.860 3.564 3.406 3.695 . 0 0 "[ ]" 1
2530 1 251 VAL MG2 1 252 VAL H 4.300 . 4.300 3.283 3.272 3.300 . 0 0 "[ ]" 1
2531 1 251 VAL MG2 1 253 ARG H 4.990 . 4.990 4.963 4.926 4.997 0.007 2 0 "[ ]" 1
2532 1 251 VAL MG2 1 254 ALA H 5.230 . 5.230 4.356 4.234 4.431 . 0 0 "[ ]" 1
2533 1 251 VAL MG2 1 254 ALA MB 4.190 . 4.190 3.236 3.088 3.310 . 0 0 "[ ]" 1
2534 1 251 VAL MG2 1 256 PHE H 4.430 . 4.430 3.890 3.661 4.069 . 0 0 "[ ]" 1
2535 1 251 VAL MG2 1 256 PHE HA 4.280 . 4.280 4.266 4.225 4.297 0.017 2 0 "[ ]" 1
2536 1 251 VAL MG2 1 256 PHE HB2 3.910 . 3.910 2.357 2.296 2.455 . 0 0 "[ ]" 1
2537 1 251 VAL MG2 1 256 PHE QD 4.390 . 4.390 2.437 2.268 2.564 . 0 0 "[ ]" 1
2538 1 251 VAL MG2 1 256 PHE QE 4.060 . 4.060 2.777 2.681 2.884 . 0 0 "[ ]" 1
2539 1 251 VAL MG2 1 257 ASP H 5.220 . 5.220 4.819 4.643 4.980 . 0 0 "[ ]" 1
2540 1 252 VAL H 1 252 VAL HB 3.450 . 3.450 2.402 2.385 2.424 . 0 0 "[ ]" 1
2541 1 252 VAL H 1 252 VAL MG2 2.990 . 2.990 2.319 2.267 2.355 . 0 0 "[ ]" 1
2542 1 252 VAL H 1 254 ALA H 4.790 . 4.790 4.142 4.121 4.180 . 0 0 "[ ]" 1
2543 1 252 VAL H 1 256 PHE HB2 5.500 . 5.500 4.130 4.017 4.191 . 0 0 "[ ]" 1
2544 1 252 VAL HA 1 252 VAL MG1 3.200 . 3.200 2.519 2.510 2.528 . 0 0 "[ ]" 1
2545 1 252 VAL HA 1 252 VAL MG2 3.030 . 3.030 2.287 2.280 2.293 . 0 0 "[ ]" 1
2546 1 252 VAL MG1 1 253 ARG H 3.470 . 3.470 3.096 3.048 3.136 . 0 0 "[ ]" 1
2547 1 252 VAL MG2 1 253 ARG H 5.150 . 5.150 3.995 3.971 4.017 . 0 0 "[ ]" 1
2548 1 253 ARG H 1 254 ALA H 3.370 . 3.370 2.682 2.633 2.708 . 0 0 "[ ]" 1
2549 1 253 ARG H 1 254 ALA MB 5.500 . 5.500 4.346 4.337 4.359 . 0 0 "[ ]" 1
2550 1 254 ALA H 1 254 ALA MB 3.140 . 3.140 2.155 2.107 2.218 . 0 0 "[ ]" 1
2551 1 254 ALA H 1 255 GLY H 3.250 . 3.250 2.853 2.711 2.959 . 0 0 "[ ]" 1
2552 1 254 ALA MB 1 255 GLY H 3.750 . 3.750 3.302 2.817 3.552 . 0 0 "[ ]" 1
2553 1 254 ALA MB 1 256 PHE HB2 4.610 . 4.610 3.898 3.817 3.979 . 0 0 "[ ]" 1
2554 1 254 ALA MB 1 256 PHE QD 3.480 . 3.480 2.418 2.259 2.546 . 0 0 "[ ]" 1
2555 1 254 ALA MB 1 256 PHE QE 3.430 . 3.430 3.442 3.038 3.715 0.285 1 0 "[ ]" 1
2556 1 255 GLY HA3 1 257 ASP H 4.800 . 4.800 4.988 4.967 5.030 0.230 3 0 "[ ]" 1
2557 1 256 PHE H 1 256 PHE HB2 3.930 . 3.930 2.061 2.038 2.078 . 0 0 "[ ]" 1
2558 1 256 PHE H 1 256 PHE HB3 3.960 . 3.960 3.334 3.306 3.373 . 0 0 "[ ]" 1
2559 1 256 PHE H 1 256 PHE QD 4.250 . 4.250 2.910 2.785 3.090 . 0 0 "[ ]" 1
2560 1 256 PHE H 1 257 ASP H 3.770 . 3.770 2.772 2.709 2.833 . 0 0 "[ ]" 1
2561 1 256 PHE HA 1 256 PHE QD 3.500 . 3.500 2.840 2.796 2.873 . 0 0 "[ ]" 1
2562 1 256 PHE HB2 1 257 ASP H 4.760 . 4.760 2.891 2.821 2.975 . 0 0 "[ ]" 1
2563 1 257 ASP H 1 257 ASP HA 2.890 . 2.890 2.918 2.897 2.936 0.046 2 0 "[ ]" 1
2564 1 257 ASP H 1 257 ASP QB 3.210 . 3.210 2.450 2.312 2.677 . 0 0 "[ ]" 1
2565 1 257 ASP H 1 258 SER H 3.120 . 3.120 2.988 2.944 3.072 . 0 0 "[ ]" 1
2566 1 257 ASP HA 1 258 SER H 2.830 . 2.830 2.885 2.839 2.937 0.107 3 0 "[ ]" 1
2567 1 257 ASP QB 1 258 SER HB2 5.190 . 5.190 4.291 3.965 4.837 . 0 0 "[ ]" 1
2568 1 258 SER H 1 258 SER HB2 3.290 . 3.290 3.283 3.260 3.328 0.038 1 0 "[ ]" 1
2569 1 258 SER H 1 258 SER HB3 3.260 . 3.260 2.995 2.920 3.119 . 0 0 "[ ]" 1
2570 1 258 SER HA 1 258 SER HB2 2.580 . 2.580 2.527 2.486 2.575 . 0 0 "[ ]" 1
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