NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
655978 |
6u1l   |
30375 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6u1l
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 2604
_Distance_constraint_stats_list.Viol_count 4440
_Distance_constraint_stats_list.Viol_total 5830.706
_Distance_constraint_stats_list.Viol_max 0.886
_Distance_constraint_stats_list.Viol_rms 0.0689
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0224
_Distance_constraint_stats_list.Viol_average_violations_only 0.1313
_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 2.410 0.626 2 1 "[ + . 1]"
1 2 ASP 3.955 0.626 2 1 "[ + . 1]"
1 3 ASP 3.215 0.563 8 1 "[ . + 1]"
1 4 ASP 3.204 0.356 6 0 "[ . 1]"
1 5 HIS 8.969 0.886 10 1 "[ . +]"
1 6 GLU 3.600 0.563 8 1 "[ . + 1]"
1 7 GLN 8.110 0.424 10 0 "[ . 1]"
1 8 LEU 11.537 0.427 2 0 "[ . 1]"
1 9 VAL 5.451 0.886 10 1 "[ . +]"
1 10 GLU 7.650 0.371 10 0 "[ . 1]"
1 11 GLU 3.697 0.296 4 0 "[ . 1]"
1 12 LEU 5.169 0.333 7 0 "[ . 1]"
1 13 GLU 4.283 0.426 5 0 "[ . 1]"
1 14 ALA 6.435 0.648 10 1 "[ . +]"
1 15 VAL 4.477 0.525 6 1 "[ .+ 1]"
1 16 GLU 8.308 0.648 10 1 "[ . +]"
1 17 ALA 4.104 0.300 7 0 "[ . 1]"
1 18 ILE 7.639 0.326 2 0 "[ . 1]"
1 19 TYR 13.354 0.525 6 1 "[ .+ 1]"
1 20 PRO 2.400 0.265 1 0 "[ . 1]"
1 21 ASP 2.905 0.474 7 0 "[ . 1]"
1 22 LEU 2.896 0.285 9 0 "[ . 1]"
1 23 LEU 4.125 0.258 2 0 "[ . 1]"
1 24 SER 6.552 0.310 3 0 "[ . 1]"
1 25 LYS 0.984 0.266 10 0 "[ . 1]"
1 26 LYS 8.122 0.382 2 0 "[ . 1]"
1 27 GLN 6.568 0.406 6 0 "[ . 1]"
1 28 GLU 1.108 0.267 5 0 "[ . 1]"
1 29 ASP 3.649 0.424 7 0 "[ . 1]"
1 30 GLY 3.658 0.513 3 1 "[ + . 1]"
1 31 SER 3.764 0.328 1 0 "[ . 1]"
1 32 ILE 11.863 0.513 3 1 "[ + . 1]"
1 33 ILE 6.641 0.382 2 0 "[ . 1]"
1 34 VAL 2.206 0.260 9 0 "[ . 1]"
1 35 VAL 7.559 0.344 6 0 "[ . 1]"
1 36 LYS 5.404 0.634 10 2 "[ . - +]"
1 37 VAL 8.544 0.400 9 0 "[ . 1]"
1 39 GLN 0.687 0.163 10 0 "[ . 1]"
1 40 HIS 2.377 0.275 3 0 "[ . 1]"
1 41 GLU 10.179 0.581 7 3 "[- .*+ 1]"
1 42 TYR 10.813 0.405 7 0 "[ . 1]"
1 43 MET 9.725 0.571 6 2 "[- .+ 1]"
1 44 THR 6.971 0.353 8 0 "[ . 1]"
1 45 LEU 8.612 0.634 10 1 "[ . +]"
1 46 GLN 1.399 0.254 10 0 "[ . 1]"
1 47 ILE 7.928 0.372 2 0 "[ . 1]"
1 48 SER 5.420 0.404 8 0 "[ . 1]"
1 49 PHE 6.984 0.346 5 0 "[ . 1]"
1 50 PRO 3.378 0.321 9 0 "[ . 1]"
1 51 THR 2.784 0.233 9 0 "[ . 1]"
1 52 HIS 4.116 0.589 2 1 "[ + . 1]"
1 53 TYR 7.843 0.321 9 0 "[ . 1]"
1 54 PRO 1.809 0.315 8 0 "[ . 1]"
1 55 SER 0.040 0.040 9 0 "[ . 1]"
1 56 GLU 2.889 0.473 6 0 "[ . 1]"
1 57 GLU 4.718 0.589 2 1 "[ + . 1]"
1 58 ALA 9.262 0.593 7 2 "[- . + 1]"
1 60 ASN 7.545 0.292 7 0 "[ . 1]"
1 61 VAL 6.384 0.511 2 1 "[ + . 1]"
1 62 ILE 4.558 0.292 7 0 "[ . 1]"
1 63 GLU 3.108 0.254 10 0 "[ . 1]"
1 64 VAL 15.816 0.443 9 0 "[ . 1]"
1 65 GLY 2.985 0.296 4 0 "[ . 1]"
1 66 VAL 7.557 0.296 4 0 "[ . 1]"
1 67 CYS 5.003 0.343 1 0 "[ . 1]"
1 68 THR 0.438 0.253 3 0 "[ . 1]"
1 69 SER 0.000 0.000 . 0 "[ . 1]"
1 70 LEU 0.390 0.198 4 0 "[ . 1]"
1 71 ALA 0.012 0.012 5 0 "[ . 1]"
1 72 LYS 2.727 0.823 3 1 "[ + . 1]"
1 73 ARG 3.763 0.823 3 1 "[ + . 1]"
1 74 ASP 2.300 0.227 10 0 "[ . 1]"
1 75 LEU 2.107 0.273 8 0 "[ . 1]"
1 76 TYR 2.083 0.273 8 0 "[ . 1]"
1 77 ASP 1.789 0.214 8 0 "[ . 1]"
1 78 THR 1.965 0.190 3 0 "[ . 1]"
1 79 LYS 6.275 0.400 10 0 "[ . 1]"
1 80 TYR 8.525 0.392 8 0 "[ . 1]"
1 81 LEU 2.459 0.206 4 0 "[ . 1]"
1 82 GLN 14.200 0.593 8 2 "[ - . + 1]"
1 83 HIS 4.043 0.356 3 0 "[ . 1]"
1 84 LEU 7.033 0.356 3 0 "[ . 1]"
1 85 PHE 3.791 0.337 3 0 "[ . 1]"
1 86 GLN 2.294 0.477 2 0 "[ . 1]"
1 87 GLU 3.090 0.427 1 0 "[ . 1]"
1 88 VAL 7.780 0.565 6 2 "[ -+ 1]"
1 89 MET 2.438 0.299 6 0 "[ . 1]"
1 90 ASP 3.488 0.504 10 1 "[ . +]"
1 91 SER 0.113 0.091 7 0 "[ . 1]"
1 92 VAL 5.259 0.593 7 4 "[* -*+ 1]"
1 93 PHE 5.399 0.504 10 1 "[ . +]"
1 94 HIS 3.571 0.341 10 0 "[ . 1]"
1 95 ARG 9.864 0.811 2 7 "[-+**. ***]"
1 96 GLY 6.344 0.811 2 3 "[ + -. *1]"
1 97 SER 1.988 0.472 5 0 "[ . 1]"
1 98 VAL 8.422 0.427 2 0 "[ . 1]"
1 99 CYS 2.562 0.277 7 0 "[ . 1]"
1 100 LEU 7.882 0.326 2 0 "[ . 1]"
1 101 PHE 7.540 0.255 1 0 "[ . 1]"
1 102 ASP 2.660 0.409 2 0 "[ . 1]"
1 103 PHE 2.829 0.337 3 0 "[ . 1]"
1 104 LEU 5.657 0.845 9 2 "[- . +1]"
1 105 THR 4.522 0.845 9 2 "[- . +1]"
1 106 GLU 2.480 0.243 6 0 "[ . 1]"
1 107 LEU 7.459 0.368 6 0 "[ . 1]"
1 108 ASP 0.862 0.209 2 0 "[ . 1]"
1 109 GLY 0.138 0.115 3 0 "[ . 1]"
1 110 VAL 1.602 0.198 6 0 "[ . 1]"
1 111 LEU 1.792 0.238 9 0 "[ . 1]"
1 112 TYR 0.011 0.011 3 0 "[ . 1]"
1 116 GLU 3.229 0.390 3 0 "[ . 1]"
1 117 GLU 4.155 0.511 9 1 "[ . +1]"
1 118 GLU 1.731 0.511 9 1 "[ . +1]"
1 119 THR 1.187 0.437 5 0 "[ . 1]"
1 120 GLU 2.345 0.437 5 0 "[ . 1]"
1 121 PRO 2.881 0.277 9 0 "[ . 1]"
1 122 VAL 1.694 0.267 8 0 "[ . 1]"
1 125 SER 1.078 0.306 9 0 "[ . 1]"
1 126 ASP 2.468 0.355 10 0 "[ . 1]"
1 127 ILE 14.036 0.614 7 3 "[- . + *1]"
1 128 PRO 7.305 0.470 10 0 "[ . 1]"
1 129 THR 2.586 0.302 9 0 "[ . 1]"
1 130 ASP 2.542 0.231 7 0 "[ . 1]"
1 131 PRO 3.739 0.382 2 0 "[ . 1]"
1 132 PHE 6.338 0.382 2 0 "[ . 1]"
1 133 GLU 5.367 0.542 4 1 "[ +. 1]"
1 134 GLY 5.870 0.542 4 1 "[ +. 1]"
1 135 TRP 3.970 0.290 10 0 "[ . 1]"
1 136 THR 6.604 0.238 4 0 "[ . 1]"
1 137 ALA 6.569 0.354 4 0 "[ . 1]"
1 138 SER 6.569 0.498 5 0 "[ . 1]"
1 139 ASP 0.100 0.093 5 0 "[ . 1]"
1 140 PRO 4.753 0.450 4 0 "[ . 1]"
1 141 ILE 16.977 0.624 10 5 "[** . -* +]"
1 142 THR 4.094 0.350 7 0 "[ . 1]"
1 143 ASP 2.855 0.188 10 0 "[ . 1]"
1 144 ARG 2.758 0.340 3 0 "[ . 1]"
1 145 GLY 1.512 0.188 10 0 "[ . 1]"
1 146 SER 2.203 0.409 4 0 "[ . 1]"
1 147 THR 2.240 0.480 2 0 "[ . 1]"
1 148 PHE 10.255 0.510 6 1 "[ .+ 1]"
1 149 MET 1.153 0.383 5 0 "[ . 1]"
1 150 ALA 3.151 0.216 2 0 "[ . 1]"
1 151 PHE 14.675 0.498 5 0 "[ . 1]"
1 152 ALA 7.407 0.432 6 0 "[ . 1]"
1 153 ALA 0.359 0.067 3 0 "[ . 1]"
1 154 HIS 5.154 0.303 10 0 "[ . 1]"
1 155 VAL 6.840 0.316 9 0 "[ . 1]"
1 156 THR 3.763 0.679 6 1 "[ .+ 1]"
1 157 SER 2.562 0.351 6 0 "[ . 1]"
1 158 GLU 6.979 0.582 6 2 "[ .+ -1]"
1 159 GLU 3.368 0.272 4 0 "[ . 1]"
1 160 GLN 9.617 0.582 6 2 "[ .+ -1]"
1 161 ALA 1.866 0.228 3 0 "[ . 1]"
1 162 PHE 5.335 0.377 3 0 "[ . 1]"
1 163 ALA 4.892 0.380 10 0 "[ . 1]"
1 164 MET 6.154 0.380 10 0 "[ . 1]"
1 165 LEU 5.248 0.273 6 0 "[ . 1]"
1 166 ASP 2.753 0.237 7 0 "[ . 1]"
1 167 LEU 2.357 0.477 1 0 "[ . 1]"
1 168 LEU 6.908 0.273 6 0 "[ . 1]"
1 169 LYS 0.237 0.079 5 0 "[ . 1]"
1 170 THR 0.452 0.160 2 0 "[ . 1]"
1 171 ASP 3.488 0.308 7 0 "[ . 1]"
1 172 SER 3.357 0.534 3 1 "[ + . 1]"
1 173 LYS 1.875 0.293 2 0 "[ . 1]"
1 174 MET 6.622 0.306 5 0 "[ . 1]"
1 175 ARG 9.026 0.556 9 2 "[ - . +1]"
1 176 LYS 8.375 0.749 8 2 "[ - . + 1]"
1 177 ALA 5.016 0.617 8 2 "[ - . + 1]"
1 178 ASN 0.419 0.171 7 0 "[ . 1]"
1 179 HIS 0.754 0.204 4 0 "[ . 1]"
1 180 VAL 1.976 0.258 9 0 "[ . 1]"
1 181 MET 2.959 0.210 1 0 "[ . 1]"
1 182 SER 0.741 0.183 6 0 "[ . 1]"
1 183 ALA 1.023 0.259 2 0 "[ . 1]"
1 184 TRP 0.392 0.259 2 0 "[ . 1]"
1 185 ARG 3.392 0.327 3 0 "[ . 1]"
1 186 ILE 12.747 0.679 6 1 "[ .+ 1]"
1 187 LYS 6.786 0.394 5 0 "[ . 1]"
1 188 GLN 11.953 0.469 2 0 "[ . 1]"
1 189 ASP 4.203 0.394 5 0 "[ . 1]"
1 190 GLY 0.881 0.218 5 0 "[ . 1]"
1 191 SER 0.594 0.091 2 0 "[ . 1]"
1 192 ALA 2.886 0.405 4 0 "[ . 1]"
1 193 ALA 0.818 0.155 9 0 "[ . 1]"
1 194 THR 5.585 0.227 3 0 "[ . 1]"
1 195 TYR 1.331 0.234 7 0 "[ . 1]"
1 196 GLN 0.816 0.265 5 0 "[ . 1]"
1 197 ASP 0.000 0.000 . 0 "[ . 1]"
1 198 SER 0.000 0.000 . 0 "[ . 1]"
1 199 ASP 0.442 0.278 2 0 "[ . 1]"
1 200 ASP 3.864 0.507 8 1 "[ . + 1]"
1 201 ASP 2.746 0.287 1 0 "[ . 1]"
1 202 GLY 0.669 0.372 9 0 "[ . 1]"
1 203 GLU 1.041 0.207 3 0 "[ . 1]"
1 204 THR 0.485 0.372 9 0 "[ . 1]"
1 205 ALA 0.466 0.104 5 0 "[ . 1]"
1 206 ALA 0.211 0.092 1 0 "[ . 1]"
1 207 GLY 1.632 0.507 8 1 "[ . + 1]"
1 208 SER 1.206 0.175 2 0 "[ . 1]"
1 209 ARG 1.019 0.158 10 0 "[ . 1]"
1 210 MET 1.649 0.229 10 0 "[ . 1]"
1 211 LEU 6.663 0.311 5 0 "[ . 1]"
1 212 HIS 1.396 0.176 5 0 "[ . 1]"
1 213 LEU 7.911 0.411 5 0 "[ . 1]"
1 214 ILE 4.393 0.334 5 0 "[ . 1]"
1 215 THR 0.651 0.136 5 0 "[ . 1]"
1 216 ILE 1.525 0.260 10 0 "[ . 1]"
1 217 MET 6.957 0.602 3 1 "[ + . 1]"
1 218 ASP 1.090 0.320 5 0 "[ . 1]"
1 219 VAL 3.699 0.276 7 0 "[ . 1]"
1 220 TRP 9.895 0.626 3 1 "[ + . 1]"
1 221 ASN 3.492 0.474 9 0 "[ . 1]"
1 222 VAL 5.154 0.491 10 0 "[ . 1]"
1 223 ILE 3.664 0.205 6 0 "[ . 1]"
1 224 VAL 4.032 0.242 5 0 "[ . 1]"
1 225 VAL 4.138 0.270 5 0 "[ . 1]"
1 226 VAL 3.186 0.264 2 0 "[ . 1]"
1 227 ALA 0.576 0.204 4 0 "[ . 1]"
1 228 ARG 1.622 0.210 1 0 "[ . 1]"
1 229 TRP 8.671 0.749 8 4 "[* -. *+ 1]"
1 234 HIS 8.773 0.749 8 1 "[ . + 1]"
1 235 ILE 18.253 0.749 8 5 "[* *.-*+ 1]"
1 238 ASP 0.062 0.062 2 0 "[ . 1]"
1 239 ARG 11.898 0.614 7 4 "[- . +**1]"
1 240 PHE 3.789 0.347 9 0 "[ . 1]"
1 241 LYS 5.050 0.417 2 0 "[ . 1]"
1 242 HIS 5.807 0.624 10 4 "[ * . -* +]"
1 243 ILE 3.469 0.539 1 1 "[+ . 1]"
1 244 ASN 2.242 0.279 1 0 "[ . 1]"
1 245 SER 4.407 0.279 1 0 "[ . 1]"
1 246 THR 3.304 0.286 6 0 "[ . 1]"
1 247 ALA 1.264 0.134 7 0 "[ . 1]"
1 248 ARG 1.130 0.195 2 0 "[ . 1]"
1 249 GLU 3.234 0.482 8 0 "[ . 1]"
1 250 ALA 3.741 0.354 4 0 "[ . 1]"
1 251 VAL 13.320 0.432 6 0 "[ . 1]"
1 252 VAL 7.722 0.482 8 0 "[ . 1]"
1 253 ARG 4.881 0.351 6 0 "[ . 1]"
1 254 ALA 2.192 0.204 8 0 "[ . 1]"
1 255 GLY 1.736 0.522 8 1 "[ . + 1]"
1 256 PHE 5.507 0.292 7 0 "[ . 1]"
1 257 ASP 11.703 0.602 3 3 "[ + . -* 1]"
1 258 SER 8.021 0.570 7 3 "[ * * + 1]"
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 2.649 2.087 3.456 0.626 2 1 "[ + . 1]" 1
2 1 1 MET QB 1 2 ASP H 3.750 . 3.750 3.226 2.048 4.012 0.262 1 0 "[ . 1]" 1
3 1 1 MET QB 1 2 ASP HB2 5.500 . 5.500 4.648 3.760 5.599 0.099 8 0 "[ . 1]" 1
4 1 1 MET QG 1 3 ASP H 5.500 . 5.500 5.224 4.414 5.636 0.136 6 0 "[ . 1]" 1
5 1 2 ASP H 1 2 ASP HB3 3.390 . 3.390 2.994 2.654 3.642 0.252 4 0 "[ . 1]" 1
6 1 2 ASP H 1 3 ASP H 3.520 . 3.520 2.620 1.955 3.603 0.083 4 0 "[ . 1]" 1
7 1 2 ASP HA 1 2 ASP HB2 2.720 . 2.720 2.498 2.422 2.592 . 0 0 "[ . 1]" 1
8 1 2 ASP HA 1 2 ASP HB3 2.960 . 2.960 3.013 2.998 3.023 0.063 5 0 "[ . 1]" 1
9 1 2 ASP HB2 1 3 ASP H 3.380 . 3.380 3.485 3.351 3.569 0.189 4 0 "[ . 1]" 1
10 1 2 ASP HB3 1 3 ASP H 3.440 . 3.440 2.034 1.763 2.370 0.037 8 0 "[ . 1]" 1
11 1 3 ASP H 1 3 ASP QB 3.010 . 3.010 2.671 2.430 3.243 0.233 7 0 "[ . 1]" 1
12 1 3 ASP H 1 4 ASP H 4.220 . 4.220 2.938 2.373 4.480 0.260 8 0 "[ . 1]" 1
13 1 3 ASP H 1 6 GLU QB 5.500 . 5.500 4.938 1.981 5.521 0.021 10 0 "[ . 1]" 1
14 1 3 ASP H 1 7 GLN HE21 5.500 . 5.500 4.341 3.652 5.430 . 0 0 "[ . 1]" 1
15 1 3 ASP HA 1 3 ASP QB 2.690 . 2.690 2.265 2.177 2.405 . 0 0 "[ . 1]" 1
16 1 3 ASP HA 1 6 GLU QB 3.980 . 3.980 3.497 2.953 4.175 0.195 8 0 "[ . 1]" 1
17 1 3 ASP HA 1 6 GLU HG2 3.790 . 3.790 2.867 2.194 4.353 0.563 8 1 "[ . + 1]" 1
18 1 3 ASP HA 1 7 GLN HE21 5.500 . 5.500 5.082 3.942 5.522 0.022 4 0 "[ . 1]" 1
19 1 3 ASP QB 1 6 GLU H 5.500 . 5.500 3.479 2.565 3.747 . 0 0 "[ . 1]" 1
20 1 3 ASP QB 1 6 GLU HG2 3.390 . 3.390 2.911 1.694 3.464 0.106 8 0 "[ . 1]" 1
21 1 3 ASP QB 1 7 GLN HE22 4.540 . 4.540 3.784 3.156 4.592 0.052 8 0 "[ . 1]" 1
22 1 4 ASP H 1 4 ASP HB2 3.620 . 3.620 3.064 2.336 3.660 0.040 4 0 "[ . 1]" 1
23 1 4 ASP H 1 4 ASP HB3 3.230 . 3.230 3.114 2.469 3.586 0.356 6 0 "[ . 1]" 1
24 1 4 ASP H 1 6 GLU QB 5.250 . 5.250 5.021 4.741 5.253 0.003 1 0 "[ . 1]" 1
25 1 4 ASP HA 1 7 GLN HE22 4.880 . 4.880 1.987 1.800 2.217 . 0 0 "[ . 1]" 1
26 1 4 ASP HA 1 7 GLN HG2 4.690 . 4.690 2.763 2.352 3.251 . 0 0 "[ . 1]" 1
27 1 4 ASP HB2 1 5 HIS H 3.430 . 3.430 3.196 2.646 3.729 0.299 4 0 "[ . 1]" 1
28 1 4 ASP HB2 1 7 GLN HG2 5.150 . 5.150 4.903 4.400 5.271 0.121 3 0 "[ . 1]" 1
29 1 4 ASP HB3 1 5 HIS H 4.100 . 4.100 3.848 3.627 4.009 . 0 0 "[ . 1]" 1
30 1 5 HIS H 1 6 GLU H 3.220 . 3.220 2.457 2.344 2.575 . 0 0 "[ . 1]" 1
31 1 5 HIS H 1 7 GLN H 4.130 . 4.130 4.292 4.075 4.554 0.424 10 0 "[ . 1]" 1
32 1 5 HIS H 1 7 GLN HE21 5.200 . 5.200 5.334 5.216 5.452 0.252 7 0 "[ . 1]" 1
33 1 5 HIS H 1 8 LEU H 4.770 . 4.770 4.692 4.584 4.789 0.019 10 0 "[ . 1]" 1
34 1 5 HIS H 1 8 LEU MD2 5.500 . 5.500 5.294 4.946 5.579 0.079 2 0 "[ . 1]" 1
35 1 5 HIS HA 1 5 HIS HD2 5.180 . 5.180 3.526 2.509 4.785 . 0 0 "[ . 1]" 1
36 1 5 HIS HA 1 8 LEU H 3.780 . 3.780 3.505 3.258 3.670 . 0 0 "[ . 1]" 1
37 1 5 HIS HA 1 8 LEU QB 4.230 . 4.230 2.368 1.970 2.653 . 0 0 "[ . 1]" 1
38 1 5 HIS HA 1 8 LEU MD1 5.120 . 5.120 4.963 4.573 5.254 0.134 2 0 "[ . 1]" 1
39 1 5 HIS HA 1 8 LEU MD2 3.920 . 3.920 3.192 2.840 3.517 . 0 0 "[ . 1]" 1
40 1 5 HIS HA 1 9 VAL H 5.500 . 5.500 3.288 2.781 3.486 . 0 0 "[ . 1]" 1
41 1 5 HIS HA 1 9 VAL HB 4.010 . 4.010 4.233 4.037 4.896 0.886 10 1 "[ . +]" 1
42 1 5 HIS HA 1 10 GLU H 5.500 . 5.500 5.698 5.054 5.854 0.354 6 0 "[ . 1]" 1
43 1 5 HIS QB 1 6 GLU H 4.720 . 4.720 2.926 2.383 3.843 . 0 0 "[ . 1]" 1
44 1 5 HIS HD1 1 8 LEU MD2 4.000 . 6.000 4.044 2.479 6.016 0.016 4 0 "[ . 1]" 1
45 1 6 GLU H 1 6 GLU QB 3.300 . 3.300 2.470 2.393 2.550 . 0 0 "[ . 1]" 1
46 1 6 GLU H 1 6 GLU HG2 3.070 . 3.070 2.198 1.869 2.650 . 0 0 "[ . 1]" 1
47 1 6 GLU H 1 6 GLU HG3 3.640 . 3.640 3.660 3.410 3.912 0.272 4 0 "[ . 1]" 1
48 1 6 GLU H 1 7 GLN H 3.160 . 3.160 2.724 2.266 2.995 . 0 0 "[ . 1]" 1
49 1 6 GLU H 1 7 GLN HE21 5.500 . 5.500 5.456 4.980 5.690 0.190 1 0 "[ . 1]" 1
50 1 6 GLU H 1 7 GLN HG2 4.600 . 4.600 4.140 3.017 4.647 0.047 10 0 "[ . 1]" 1
51 1 6 GLU HA 1 6 GLU HG2 3.010 . 3.010 3.095 2.961 3.208 0.198 1 0 "[ . 1]" 1
52 1 6 GLU HA 1 9 VAL QG 4.570 . 4.570 2.169 1.895 2.753 . 0 0 "[ . 1]" 1
53 1 6 GLU QB 1 6 GLU HG2 2.550 . 2.550 2.309 2.262 2.354 . 0 0 "[ . 1]" 1
54 1 6 GLU QB 1 7 GLN H 3.490 . 3.490 2.356 1.866 2.698 . 0 0 "[ . 1]" 1
55 1 6 GLU QB 1 7 GLN HE22 4.790 . 4.790 3.964 3.490 5.017 0.227 10 0 "[ . 1]" 1
56 1 6 GLU HG2 1 7 GLN H 5.500 . 5.500 4.151 3.871 4.344 . 0 0 "[ . 1]" 1
57 1 7 GLN H 1 7 GLN HE21 5.300 . 5.300 4.224 3.874 4.609 . 0 0 "[ . 1]" 1
58 1 7 GLN H 1 7 GLN HG2 3.480 . 3.480 2.250 2.129 2.410 . 0 0 "[ . 1]" 1
59 1 7 GLN H 1 7 GLN HG3 3.690 . 3.690 3.702 3.611 3.791 0.101 5 0 "[ . 1]" 1
60 1 7 GLN H 1 10 GLU HB2 5.500 . 5.500 4.687 4.468 4.877 . 0 0 "[ . 1]" 1
61 1 7 GLN HB3 1 7 GLN HE22 4.530 . 4.530 2.923 2.711 4.132 . 0 0 "[ . 1]" 1
62 1 7 GLN HE21 1 8 LEU H 4.920 . 4.920 5.246 5.164 5.322 0.402 4 0 "[ . 1]" 1
63 1 7 GLN HE22 1 7 GLN HG2 3.970 . 3.970 2.248 2.171 2.772 . 0 0 "[ . 1]" 1
64 1 7 GLN HG3 1 8 LEU H 4.320 . 4.320 2.798 2.314 3.449 . 0 0 "[ . 1]" 1
65 1 8 LEU H 1 8 LEU MD1 4.170 . 4.170 4.026 3.954 4.093 . 0 0 "[ . 1]" 1
66 1 8 LEU H 1 8 LEU MD2 4.180 . 4.180 4.244 4.215 4.270 0.090 4 0 "[ . 1]" 1
67 1 8 LEU H 1 9 VAL H 3.120 . 3.120 2.840 2.714 2.936 . 0 0 "[ . 1]" 1
68 1 8 LEU H 1 9 VAL HA 5.500 . 5.500 5.402 5.333 5.461 . 0 0 "[ . 1]" 1
69 1 8 LEU H 1 10 GLU H 3.730 . 3.730 3.810 3.769 3.892 0.162 4 0 "[ . 1]" 1
70 1 8 LEU HA 1 8 LEU MD1 3.690 . 3.690 2.067 1.997 2.139 . 0 0 "[ . 1]" 1
71 1 8 LEU HA 1 11 GLU HG3 4.190 . 4.190 3.946 3.494 4.308 0.118 7 0 "[ . 1]" 1
72 1 8 LEU HA 1 12 LEU H 5.500 . 5.500 4.318 4.137 4.526 . 0 0 "[ . 1]" 1
73 1 8 LEU HA 1 12 LEU MD2 4.190 . 4.190 3.889 3.783 4.040 . 0 0 "[ . 1]" 1
74 1 8 LEU QB 1 9 VAL H 5.230 . 5.230 2.244 2.014 2.409 . 0 0 "[ . 1]" 1
75 1 8 LEU MD1 1 9 VAL H 4.380 . 4.380 4.407 4.297 4.483 0.103 9 0 "[ . 1]" 1
76 1 8 LEU MD1 1 9 VAL HA 4.880 . 4.880 4.834 4.524 4.936 0.056 2 0 "[ . 1]" 1
77 1 8 LEU MD1 1 10 GLU H 5.500 . 5.500 5.303 5.219 5.412 . 0 0 "[ . 1]" 1
78 1 8 LEU MD1 1 11 GLU H 4.650 . 4.650 4.613 4.396 4.732 0.082 10 0 "[ . 1]" 1
79 1 8 LEU MD1 1 11 GLU HB2 5.210 . 5.210 4.922 4.585 5.260 0.050 10 0 "[ . 1]" 1
80 1 8 LEU MD1 1 12 LEU H 4.510 . 4.510 4.474 4.349 4.551 0.041 1 0 "[ . 1]" 1
81 1 8 LEU MD1 1 12 LEU MD1 3.850 . 3.850 3.810 3.623 3.898 0.048 1 0 "[ . 1]" 1
82 1 8 LEU MD1 1 12 LEU MD2 3.190 . 3.190 2.687 2.538 2.798 . 0 0 "[ . 1]" 1
83 1 8 LEU MD1 1 49 PHE H 4.000 . 6.000 6.164 6.018 6.342 0.342 8 0 "[ . 1]" 1
84 1 8 LEU MD1 1 49 PHE HD2 4.000 . 6.000 4.945 4.615 5.476 . 0 0 "[ . 1]" 1
85 1 8 LEU MD1 1 53 TYR H 4.000 . 6.000 5.582 5.066 5.988 . 0 0 "[ . 1]" 1
86 1 8 LEU MD1 1 53 TYR HB3 4.320 . 4.320 2.936 2.120 3.351 . 0 0 "[ . 1]" 1
87 1 8 LEU MD1 1 53 TYR QE 5.260 . 5.260 4.813 3.989 5.414 0.154 6 0 "[ . 1]" 1
88 1 8 LEU MD1 1 98 VAL HA 4.000 . 6.000 6.230 6.038 6.427 0.427 2 0 "[ . 1]" 1
89 1 8 LEU MD1 1 98 VAL HB 4.970 . 4.970 4.798 4.450 4.989 0.019 10 0 "[ . 1]" 1
90 1 8 LEU MD1 1 98 VAL MG1 4.210 . 4.210 3.794 3.411 3.959 . 0 0 "[ . 1]" 1
91 1 8 LEU MD1 1 98 VAL MG2 4.000 . 6.000 5.025 4.670 5.460 . 0 0 "[ . 1]" 1
92 1 8 LEU MD2 1 9 VAL H 4.310 . 4.310 3.970 3.695 4.204 . 0 0 "[ . 1]" 1
93 1 8 LEU MD2 1 31 SER HA 3.990 . 3.990 3.691 2.739 4.131 0.141 1 0 "[ . 1]" 1
94 1 8 LEU MD2 1 31 SER HB2 5.100 . 5.100 4.879 3.442 5.294 0.194 10 0 "[ . 1]" 1
95 1 8 LEU MD2 1 53 TYR H 5.500 . 5.500 5.277 4.865 5.533 0.033 9 0 "[ . 1]" 1
96 1 8 LEU MD2 1 53 TYR HB2 4.910 . 4.910 3.704 2.994 4.791 . 0 0 "[ . 1]" 1
97 1 8 LEU MD2 1 53 TYR HB3 3.360 . 3.360 3.208 2.868 3.428 0.068 9 0 "[ . 1]" 1
98 1 8 LEU MD2 1 53 TYR QE 5.220 . 5.220 3.487 2.769 4.433 . 0 0 "[ . 1]" 1
99 1 8 LEU HG 1 9 VAL H 5.500 . 5.500 3.600 3.391 3.774 . 0 0 "[ . 1]" 1
100 1 8 LEU HG 1 49 PHE QB 5.300 . 5.300 4.819 4.182 5.257 . 0 0 "[ . 1]" 1
101 1 9 VAL H 1 9 VAL HB 3.550 . 3.550 2.468 2.278 3.660 0.110 10 0 "[ . 1]" 1
102 1 9 VAL H 1 9 VAL QG 3.570 . 3.570 2.440 1.965 2.586 . 0 0 "[ . 1]" 1
103 1 9 VAL H 1 10 GLU H 3.750 . 3.750 2.617 2.425 2.775 . 0 0 "[ . 1]" 1
104 1 9 VAL H 1 10 GLU HA 5.500 . 5.500 5.226 5.010 5.383 . 0 0 "[ . 1]" 1
105 1 9 VAL H 1 10 GLU HB2 5.350 . 5.350 4.638 4.304 4.892 . 0 0 "[ . 1]" 1
106 1 9 VAL HA 1 9 VAL QG 3.290 . 3.290 2.227 2.192 2.460 . 0 0 "[ . 1]" 1
107 1 9 VAL HA 1 12 LEU H 4.470 . 4.470 3.354 3.202 3.531 . 0 0 "[ . 1]" 1
108 1 9 VAL HA 1 12 LEU MD1 3.160 . 3.160 2.094 1.907 2.288 . 0 0 "[ . 1]" 1
109 1 9 VAL HA 1 12 LEU MD2 5.440 . 5.440 3.550 3.466 3.666 . 0 0 "[ . 1]" 1
110 1 9 VAL HA 1 13 GLU H 4.090 . 4.090 4.071 3.872 4.236 0.146 3 0 "[ . 1]" 1
111 1 9 VAL HA 1 13 GLU HG3 4.210 . 4.210 4.232 4.014 4.408 0.198 1 0 "[ . 1]" 1
112 1 9 VAL HB 1 10 GLU H 5.500 . 5.500 3.929 3.855 4.251 . 0 0 "[ . 1]" 1
113 1 9 VAL QG 1 10 GLU H 3.750 . 3.750 2.417 2.325 2.542 . 0 0 "[ . 1]" 1
114 1 9 VAL QG 1 10 GLU HA 3.560 . 3.560 3.031 2.936 3.081 . 0 0 "[ . 1]" 1
115 1 9 VAL QG 1 10 GLU HB2 3.680 . 3.680 3.676 3.192 3.823 0.143 9 0 "[ . 1]" 1
116 1 9 VAL QG 1 10 GLU HB3 4.690 . 4.690 4.500 4.297 4.643 . 0 0 "[ . 1]" 1
117 1 9 VAL QG 1 10 GLU QG 3.520 . 3.520 2.897 2.260 3.891 0.371 10 0 "[ . 1]" 1
118 1 9 VAL QG 1 13 GLU HG2 4.080 . 4.080 3.766 3.405 4.266 0.186 10 0 "[ . 1]" 1
119 1 9 VAL QG 1 13 GLU HG3 3.320 . 3.320 2.746 2.421 3.019 . 0 0 "[ . 1]" 1
120 1 10 GLU H 1 10 GLU HB2 3.060 . 3.060 2.271 2.165 2.467 . 0 0 "[ . 1]" 1
121 1 10 GLU H 1 10 GLU QG 3.510 . 3.510 3.001 2.578 3.774 0.264 8 0 "[ . 1]" 1
122 1 10 GLU H 1 11 GLU H 3.190 . 3.190 2.607 2.272 2.788 . 0 0 "[ . 1]" 1
123 1 10 GLU H 1 12 LEU H 4.130 . 4.130 3.827 3.682 3.953 . 0 0 "[ . 1]" 1
124 1 10 GLU H 1 12 LEU MD1 5.450 . 5.450 4.963 4.801 5.109 . 0 0 "[ . 1]" 1
125 1 10 GLU H 1 12 LEU MD2 4.830 . 4.830 5.103 5.023 5.163 0.333 7 0 "[ . 1]" 1
126 1 10 GLU HA 1 10 GLU QG 2.930 . 2.930 2.381 2.191 2.662 . 0 0 "[ . 1]" 1
127 1 10 GLU HA 1 13 GLU H 5.500 . 5.500 3.433 2.970 3.866 . 0 0 "[ . 1]" 1
128 1 10 GLU HA 1 14 ALA H 5.500 . 5.500 4.135 3.641 4.365 . 0 0 "[ . 1]" 1
129 1 10 GLU HB2 1 11 GLU H 5.080 . 5.080 2.897 2.527 3.525 . 0 0 "[ . 1]" 1
130 1 10 GLU QG 1 11 GLU H 5.110 . 5.110 4.234 3.965 4.378 . 0 0 "[ . 1]" 1
131 1 11 GLU H 1 11 GLU HB2 4.150 . 4.150 3.608 3.109 3.826 . 0 0 "[ . 1]" 1
132 1 11 GLU H 1 11 GLU HG3 3.470 . 3.470 3.564 3.496 3.724 0.254 7 0 "[ . 1]" 1
133 1 11 GLU H 1 12 LEU H 3.370 . 3.370 2.553 2.445 2.646 . 0 0 "[ . 1]" 1
134 1 11 GLU H 1 12 LEU HA 5.500 . 5.500 5.182 5.071 5.291 . 0 0 "[ . 1]" 1
135 1 11 GLU H 1 12 LEU MD2 4.000 . 4.000 4.143 4.055 4.296 0.296 4 0 "[ . 1]" 1
136 1 11 GLU HA 1 13 GLU H 4.630 . 4.630 4.645 4.281 4.850 0.220 9 0 "[ . 1]" 1
137 1 11 GLU HA 1 14 ALA H 5.500 . 5.500 3.273 3.067 3.478 . 0 0 "[ . 1]" 1
138 1 11 GLU HA 1 14 ALA MB 3.720 . 3.720 2.238 2.122 2.398 . 0 0 "[ . 1]" 1
139 1 11 GLU HA 1 98 VAL MG2 3.970 . 3.970 3.838 3.326 4.096 0.126 3 0 "[ . 1]" 1
140 1 11 GLU HB2 1 12 LEU H 4.860 . 4.860 3.999 3.930 4.140 . 0 0 "[ . 1]" 1
141 1 11 GLU HB2 1 12 LEU MD2 5.010 . 5.010 4.181 4.044 4.599 . 0 0 "[ . 1]" 1
142 1 11 GLU HB2 1 98 VAL MG2 5.380 . 5.380 2.478 2.041 3.054 . 0 0 "[ . 1]" 1
143 1 11 GLU HB2 1 100 LEU MD1 4.380 . 4.380 3.022 2.366 4.412 0.032 7 0 "[ . 1]" 1
144 1 11 GLU HB2 1 100 LEU MD2 4.820 . 4.820 2.355 1.997 3.431 . 0 0 "[ . 1]" 1
145 1 11 GLU HG2 1 98 VAL MG2 4.510 . 4.510 4.040 3.750 4.250 . 0 0 "[ . 1]" 1
146 1 11 GLU HG2 1 100 LEU MD2 5.060 . 5.060 4.352 4.101 4.508 . 0 0 "[ . 1]" 1
147 1 11 GLU HG3 1 98 VAL HB 5.310 . 5.310 4.816 4.563 5.172 . 0 0 "[ . 1]" 1
148 1 11 GLU HG3 1 98 VAL MG2 4.970 . 4.970 4.200 3.989 4.652 . 0 0 "[ . 1]" 1
149 1 12 LEU H 1 12 LEU MD1 4.020 . 4.020 3.719 3.624 3.861 . 0 0 "[ . 1]" 1
150 1 12 LEU H 1 12 LEU MD2 4.130 . 4.130 2.374 2.309 2.545 . 0 0 "[ . 1]" 1
151 1 12 LEU H 1 13 GLU H 3.190 . 3.190 2.893 2.828 2.942 . 0 0 "[ . 1]" 1
152 1 12 LEU H 1 13 GLU HG3 4.750 . 4.750 4.615 4.377 4.751 0.001 6 0 "[ . 1]" 1
153 1 12 LEU HA 1 12 LEU MD2 3.610 . 3.610 2.247 2.171 2.287 . 0 0 "[ . 1]" 1
154 1 12 LEU HA 1 14 ALA MB 5.500 . 5.500 4.941 4.719 5.130 . 0 0 "[ . 1]" 1
155 1 12 LEU HB2 1 12 LEU MD1 3.620 . 3.620 2.437 2.370 2.519 . 0 0 "[ . 1]" 1
156 1 12 LEU HB3 1 12 LEU MD1 3.640 . 3.640 2.287 2.247 2.316 . 0 0 "[ . 1]" 1
157 1 12 LEU HB3 1 13 GLU H 4.630 . 4.630 3.537 3.434 3.759 . 0 0 "[ . 1]" 1
158 1 12 LEU HB3 1 14 ALA H 5.500 . 5.500 5.392 5.168 5.705 0.205 4 0 "[ . 1]" 1
159 1 12 LEU MD1 1 13 GLU H 4.720 . 4.720 4.257 4.144 4.472 . 0 0 "[ . 1]" 1
160 1 12 LEU MD1 1 13 GLU HG3 5.500 . 5.500 4.520 4.228 4.721 . 0 0 "[ . 1]" 1
161 1 12 LEU MD1 1 29 ASP HB2 5.170 . 5.170 4.379 2.804 5.323 0.153 9 0 "[ . 1]" 1
162 1 12 LEU MD1 1 30 GLY HA2 4.650 . 4.650 2.835 2.315 3.561 . 0 0 "[ . 1]" 1
163 1 12 LEU MD1 1 30 GLY HA3 4.970 . 4.970 2.145 1.870 2.682 . 0 0 "[ . 1]" 1
164 1 12 LEU MD1 1 31 SER H 5.000 . 5.000 4.044 3.209 4.571 . 0 0 "[ . 1]" 1
165 1 12 LEU MD2 1 31 SER H 5.500 . 5.500 5.070 4.088 5.622 0.122 4 0 "[ . 1]" 1
166 1 13 GLU H 1 13 GLU HB2 3.050 . 3.050 2.552 2.440 2.623 . 0 0 "[ . 1]" 1
167 1 13 GLU H 1 13 GLU HG2 3.240 . 3.240 3.170 3.004 3.339 0.099 6 0 "[ . 1]" 1
168 1 13 GLU H 1 13 GLU HG3 3.110 . 3.110 2.165 1.903 2.423 . 0 0 "[ . 1]" 1
169 1 13 GLU H 1 15 VAL MG1 5.500 . 5.500 4.452 4.185 4.622 . 0 0 "[ . 1]" 1
170 1 13 GLU H 1 16 GLU HB3 5.500 . 5.500 5.086 4.813 5.492 . 0 0 "[ . 1]" 1
171 1 13 GLU H 1 16 GLU HG3 5.500 . 5.500 5.676 5.274 5.926 0.426 5 0 "[ . 1]" 1
172 1 13 GLU HA 1 13 GLU HG2 2.840 . 2.840 2.515 2.418 2.579 . 0 0 "[ . 1]" 1
173 1 13 GLU HA 1 16 GLU HB3 2.850 . 2.850 2.480 2.148 2.864 0.014 10 0 "[ . 1]" 1
174 1 13 GLU HB2 1 13 GLU HG3 2.590 . 2.590 2.387 2.347 2.417 . 0 0 "[ . 1]" 1
175 1 13 GLU HB2 1 14 ALA H 3.610 . 3.610 2.926 2.304 3.187 . 0 0 "[ . 1]" 1
176 1 13 GLU HG3 1 14 ALA H 4.960 . 4.960 4.338 4.031 4.521 . 0 0 "[ . 1]" 1
177 1 14 ALA H 1 14 ALA MB 2.750 . 2.750 2.303 2.243 2.382 . 0 0 "[ . 1]" 1
178 1 14 ALA H 1 15 VAL H 3.350 . 3.350 2.556 2.263 2.841 . 0 0 "[ . 1]" 1
179 1 14 ALA H 1 15 VAL MG1 4.760 . 4.760 3.977 3.613 4.472 . 0 0 "[ . 1]" 1
180 1 14 ALA H 1 16 GLU H 4.080 . 4.080 3.610 3.299 3.941 . 0 0 "[ . 1]" 1
181 1 14 ALA H 1 16 GLU HB3 4.470 . 4.470 4.757 4.638 5.118 0.648 10 1 "[ . +]" 1
182 1 14 ALA H 1 100 LEU MD1 4.790 . 4.790 4.889 4.789 4.983 0.193 2 0 "[ . 1]" 1
183 1 14 ALA HA 1 17 ALA H 3.750 . 3.750 3.312 3.119 3.535 . 0 0 "[ . 1]" 1
184 1 14 ALA MB 1 15 VAL H 3.290 . 3.290 2.377 2.088 2.592 . 0 0 "[ . 1]" 1
185 1 14 ALA MB 1 16 GLU H 5.500 . 5.500 4.209 4.086 4.286 . 0 0 "[ . 1]" 1
186 1 14 ALA MB 1 17 ALA MB 3.540 . 3.540 3.703 3.631 3.840 0.300 7 0 "[ . 1]" 1
187 1 14 ALA MB 1 18 ILE MD 4.190 . 4.190 2.881 2.614 3.064 . 0 0 "[ . 1]" 1
188 1 14 ALA MB 1 18 ILE MG 5.500 . 5.500 5.417 5.204 5.594 0.094 9 0 "[ . 1]" 1
189 1 14 ALA MB 1 100 LEU MD1 3.550 . 3.550 3.170 2.802 3.416 . 0 0 "[ . 1]" 1
190 1 14 ALA MB 1 101 PHE QE 3.550 . 3.550 3.450 3.198 3.722 0.172 7 0 "[ . 1]" 1
191 1 15 VAL H 1 15 VAL HB 3.630 . 3.630 2.487 2.353 2.709 . 0 0 "[ . 1]" 1
192 1 15 VAL H 1 16 GLU H 3.510 . 3.510 2.507 2.183 3.009 . 0 0 "[ . 1]" 1
193 1 15 VAL H 1 16 GLU HB2 5.500 . 5.500 4.182 3.787 4.741 . 0 0 "[ . 1]" 1
194 1 15 VAL H 1 17 ALA H 4.440 . 4.440 4.076 3.636 4.480 0.040 7 0 "[ . 1]" 1
195 1 15 VAL H 1 18 ILE H 5.030 . 5.030 4.790 4.656 4.934 . 0 0 "[ . 1]" 1
196 1 15 VAL H 1 18 ILE HB 5.500 . 5.500 5.532 5.390 5.624 0.124 7 0 "[ . 1]" 1
197 1 15 VAL H 1 18 ILE MD 4.730 . 4.730 4.047 3.762 4.271 . 0 0 "[ . 1]" 1
198 1 15 VAL H 1 19 TYR QE 5.500 . 5.500 5.279 4.779 5.572 0.072 5 0 "[ . 1]" 1
199 1 15 VAL H 1 100 LEU MD1 3.730 . 3.730 3.238 2.994 3.506 . 0 0 "[ . 1]" 1
200 1 15 VAL HA 1 18 ILE H 3.730 . 3.730 3.426 3.233 3.855 0.125 4 0 "[ . 1]" 1
201 1 15 VAL HA 1 18 ILE MD 4.210 . 4.210 2.335 1.958 2.728 . 0 0 "[ . 1]" 1
202 1 15 VAL HA 1 18 ILE MG 4.560 . 4.560 4.340 4.225 4.492 . 0 0 "[ . 1]" 1
203 1 15 VAL HA 1 19 TYR QD 3.460 . 3.460 2.688 2.118 3.071 . 0 0 "[ . 1]" 1
204 1 15 VAL HA 1 19 TYR QE 4.860 . 4.860 2.687 2.184 2.981 . 0 0 "[ . 1]" 1
205 1 15 VAL HA 1 100 LEU MD1 3.430 . 3.430 2.975 2.375 3.248 . 0 0 "[ . 1]" 1
206 1 15 VAL HB 1 16 GLU H 4.050 . 4.050 3.891 3.635 4.110 0.060 9 0 "[ . 1]" 1
207 1 15 VAL MG1 1 16 GLU H 3.620 . 3.620 2.304 2.041 2.527 . 0 0 "[ . 1]" 1
208 1 15 VAL MG1 1 16 GLU HB2 5.500 . 5.500 3.095 2.980 3.230 . 0 0 "[ . 1]" 1
209 1 15 VAL MG1 1 19 TYR H 5.130 . 5.130 4.593 4.298 4.942 . 0 0 "[ . 1]" 1
210 1 15 VAL MG1 1 19 TYR QD 3.320 . 3.320 3.684 3.586 3.845 0.525 6 1 "[ .+ 1]" 1
211 1 15 VAL MG1 1 19 TYR QE 5.260 . 5.260 4.564 4.323 4.812 . 0 0 "[ . 1]" 1
212 1 16 GLU H 1 16 GLU HB3 3.300 . 3.300 2.699 2.376 3.084 . 0 0 "[ . 1]" 1
213 1 16 GLU H 1 16 GLU HG2 3.740 . 3.740 3.947 3.336 4.212 0.472 5 0 "[ . 1]" 1
214 1 16 GLU H 1 17 ALA H 3.610 . 3.610 2.591 2.298 2.861 . 0 0 "[ . 1]" 1
215 1 16 GLU H 1 17 ALA MB 5.500 . 5.500 4.162 3.978 4.403 . 0 0 "[ . 1]" 1
216 1 16 GLU H 1 18 ILE H 4.400 . 4.400 4.140 3.890 4.465 0.065 4 0 "[ . 1]" 1
217 1 16 GLU H 1 18 ILE HB 5.500 . 5.500 5.532 5.452 5.603 0.103 2 0 "[ . 1]" 1
218 1 16 GLU H 1 18 ILE MD 5.020 . 5.020 5.034 4.967 5.106 0.086 4 0 "[ . 1]" 1
219 1 16 GLU H 1 19 TYR H 4.880 . 4.880 4.572 4.443 4.738 . 0 0 "[ . 1]" 1
220 1 16 GLU HA 1 16 GLU HG2 2.890 . 2.890 2.444 2.258 2.767 . 0 0 "[ . 1]" 1
221 1 16 GLU HB2 1 17 ALA H 5.500 . 5.500 3.456 3.178 3.888 . 0 0 "[ . 1]" 1
222 1 16 GLU HB3 1 18 ILE H 5.500 . 5.500 5.032 4.626 5.486 . 0 0 "[ . 1]" 1
223 1 16 GLU HG2 1 20 PRO HA 4.310 . 4.310 3.759 3.267 4.468 0.158 4 0 "[ . 1]" 1
224 1 17 ALA H 1 17 ALA MB 2.720 . 2.720 2.246 2.198 2.340 . 0 0 "[ . 1]" 1
225 1 17 ALA H 1 18 ILE H 3.640 . 3.640 2.602 2.190 2.983 . 0 0 "[ . 1]" 1
226 1 17 ALA H 1 18 ILE HB 5.500 . 5.500 4.963 4.256 5.510 0.010 7 0 "[ . 1]" 1
227 1 17 ALA H 1 18 ILE MD 5.270 . 5.270 4.799 4.406 5.254 . 0 0 "[ . 1]" 1
228 1 17 ALA H 1 19 TYR H 4.250 . 4.250 3.954 3.088 4.422 0.172 1 0 "[ . 1]" 1
229 1 17 ALA MB 1 18 ILE H 3.910 . 3.910 2.334 1.847 2.677 . 0 0 "[ . 1]" 1
230 1 17 ALA MB 1 18 ILE MD 3.820 . 3.820 3.926 3.855 4.000 0.180 3 0 "[ . 1]" 1
231 1 17 ALA MB 1 18 ILE HG13 3.580 . 3.580 2.712 2.651 2.771 . 0 0 "[ . 1]" 1
232 1 17 ALA MB 1 18 ILE MG 4.600 . 4.600 4.658 4.626 4.697 0.097 5 0 "[ . 1]" 1
233 1 18 ILE H 1 18 ILE HB 3.190 . 3.190 2.720 2.655 2.877 . 0 0 "[ . 1]" 1
234 1 18 ILE H 1 18 ILE MD 4.710 . 4.710 3.326 3.223 3.417 . 0 0 "[ . 1]" 1
235 1 18 ILE H 1 18 ILE HG12 3.610 . 3.610 3.258 3.184 3.422 . 0 0 "[ . 1]" 1
236 1 18 ILE H 1 18 ILE HG13 3.630 . 3.630 1.832 1.749 2.024 0.051 4 0 "[ . 1]" 1
237 1 18 ILE H 1 19 TYR H 3.340 . 3.340 2.580 2.284 2.857 . 0 0 "[ . 1]" 1
238 1 18 ILE HA 1 18 ILE HG12 3.560 . 3.560 2.795 2.736 2.861 . 0 0 "[ . 1]" 1
239 1 18 ILE HA 1 18 ILE HG13 3.600 . 3.600 3.058 2.981 3.110 . 0 0 "[ . 1]" 1
240 1 18 ILE HA 1 18 ILE MG 2.960 . 2.960 2.281 2.258 2.309 . 0 0 "[ . 1]" 1
241 1 18 ILE HA 1 19 TYR QD 5.140 . 5.140 4.900 4.849 4.965 . 0 0 "[ . 1]" 1
242 1 18 ILE HB 1 18 ILE MD 3.140 . 3.140 2.305 2.274 2.359 . 0 0 "[ . 1]" 1
243 1 18 ILE HB 1 19 TYR H 3.610 . 3.610 2.555 2.372 2.753 . 0 0 "[ . 1]" 1
244 1 18 ILE HB 1 19 TYR QD 3.890 . 3.890 2.753 2.631 2.853 . 0 0 "[ . 1]" 1
245 1 18 ILE HB 1 19 TYR QE 4.850 . 4.850 2.810 2.699 2.883 . 0 0 "[ . 1]" 1
246 1 18 ILE HB 1 100 LEU MD1 5.500 . 5.500 4.770 4.116 5.086 . 0 0 "[ . 1]" 1
247 1 18 ILE MD 1 18 ILE MG 2.970 . 2.970 2.061 2.013 2.110 . 0 0 "[ . 1]" 1
248 1 18 ILE MD 1 19 TYR H 4.310 . 4.310 4.201 4.056 4.346 0.036 9 0 "[ . 1]" 1
249 1 18 ILE MD 1 19 TYR QD 3.600 . 3.600 3.732 3.640 3.791 0.191 7 0 "[ . 1]" 1
250 1 18 ILE MD 1 19 TYR QE 4.270 . 4.270 2.576 2.510 2.641 . 0 0 "[ . 1]" 1
251 1 18 ILE MD 1 100 LEU MD1 3.030 . 3.030 3.120 2.521 3.356 0.326 2 0 "[ . 1]" 1
252 1 18 ILE MD 1 101 PHE QD 4.340 . 4.340 3.240 2.974 3.734 . 0 0 "[ . 1]" 1
253 1 18 ILE MD 1 101 PHE QE 3.740 . 3.740 1.958 1.799 2.180 0.001 5 0 "[ . 1]" 1
254 1 18 ILE HG12 1 18 ILE MG 3.670 . 3.670 2.267 2.247 2.290 . 0 0 "[ . 1]" 1
255 1 18 ILE HG13 1 18 ILE MG 3.660 . 3.660 3.171 3.168 3.176 . 0 0 "[ . 1]" 1
256 1 18 ILE HG13 1 19 TYR H 4.380 . 4.380 3.878 3.792 4.006 . 0 0 "[ . 1]" 1
257 1 18 ILE HG13 1 19 TYR QE 4.480 . 4.480 4.538 4.489 4.581 0.101 8 0 "[ . 1]" 1
258 1 18 ILE MG 1 19 TYR H 3.780 . 3.780 3.686 3.574 3.846 0.066 9 0 "[ . 1]" 1
259 1 18 ILE MG 1 19 TYR HB2 5.500 . 5.500 4.886 4.754 5.022 . 0 0 "[ . 1]" 1
260 1 18 ILE MG 1 19 TYR QD 3.660 . 3.660 3.169 2.907 3.369 . 0 0 "[ . 1]" 1
261 1 18 ILE MG 1 19 TYR QE 3.770 . 3.770 2.817 2.774 2.894 . 0 0 "[ . 1]" 1
262 1 18 ILE MG 1 20 PRO QD 5.480 . 5.480 4.805 4.236 5.344 . 0 0 "[ . 1]" 1
263 1 18 ILE MG 1 101 PHE QD 4.540 . 4.540 4.602 4.409 4.703 0.163 6 0 "[ . 1]" 1
264 1 18 ILE MG 1 101 PHE QE 4.450 . 4.450 4.243 3.297 4.483 0.033 1 0 "[ . 1]" 1
265 1 19 TYR H 1 19 TYR QD 5.220 . 5.220 2.569 2.319 2.845 . 0 0 "[ . 1]" 1
266 1 19 TYR H 1 19 TYR QE 5.410 . 5.410 4.283 4.079 4.556 . 0 0 "[ . 1]" 1
267 1 19 TYR H 1 20 PRO QD 4.480 . 4.480 3.341 2.999 3.921 . 0 0 "[ . 1]" 1
268 1 19 TYR HB2 1 21 ASP H 5.500 . 5.500 5.662 5.028 5.974 0.474 7 0 "[ . 1]" 1
269 1 19 TYR HB2 1 22 LEU QB 2.930 . 2.930 2.300 1.727 3.137 0.207 5 0 "[ . 1]" 1
270 1 19 TYR HB2 1 22 LEU MD2 3.930 . 3.930 2.650 2.073 3.518 . 0 0 "[ . 1]" 1
271 1 19 TYR HB3 1 22 LEU MD2 3.950 . 3.950 2.438 2.037 2.936 . 0 0 "[ . 1]" 1
272 1 19 TYR HB3 1 22 LEU HG 4.870 . 4.870 4.412 3.627 5.018 0.148 2 0 "[ . 1]" 1
273 1 19 TYR QD 1 20 PRO QD 4.380 . 4.380 4.505 4.276 4.645 0.265 1 0 "[ . 1]" 1
274 1 19 TYR QD 1 22 LEU MD2 4.720 . 4.720 2.611 2.023 2.880 . 0 0 "[ . 1]" 1
275 1 19 TYR QD 1 104 LEU MD2 5.460 . 5.460 4.777 4.087 5.158 . 0 0 "[ . 1]" 1
276 1 19 TYR QE 1 22 LEU MD2 4.210 . 4.210 3.805 3.559 4.047 . 0 0 "[ . 1]" 1
277 1 19 TYR QE 1 23 LEU QD 4.730 . 4.730 4.802 4.539 4.920 0.190 1 0 "[ . 1]" 1
278 1 19 TYR QE 1 101 PHE QD 4.240 . 4.240 4.415 4.322 4.495 0.255 1 0 "[ . 1]" 1
279 1 19 TYR QE 1 101 PHE QE 4.400 . 4.400 4.199 3.826 4.442 0.042 9 0 "[ . 1]" 1
280 1 19 TYR QE 1 104 LEU MD2 4.740 . 4.740 3.292 3.011 3.543 . 0 0 "[ . 1]" 1
281 1 20 PRO HA 1 22 LEU H 4.380 . 4.380 4.217 4.008 4.504 0.124 4 0 "[ . 1]" 1
282 1 20 PRO HA 1 23 LEU H 4.890 . 4.890 4.189 3.810 4.918 0.028 8 0 "[ . 1]" 1
283 1 20 PRO HB2 1 21 ASP H 3.540 . 3.540 2.115 1.622 3.196 0.178 9 0 "[ . 1]" 1
284 1 20 PRO HB3 1 21 ASP H 4.100 . 4.100 3.559 3.254 4.308 0.208 4 0 "[ . 1]" 1
285 1 20 PRO QD 1 21 ASP H 4.880 . 4.880 3.024 2.225 3.619 . 0 0 "[ . 1]" 1
286 1 20 PRO HG2 1 21 ASP H 3.900 . 3.900 2.696 1.887 3.844 . 0 0 "[ . 1]" 1
287 1 21 ASP H 1 21 ASP QB 3.810 . 3.810 2.407 2.254 2.789 . 0 0 "[ . 1]" 1
288 1 21 ASP H 1 22 LEU H 3.050 . 3.050 2.708 1.764 3.104 0.054 6 0 "[ . 1]" 1
289 1 21 ASP H 1 23 LEU H 4.760 . 4.760 4.452 3.586 4.752 . 0 0 "[ . 1]" 1
290 1 22 LEU H 1 22 LEU MD2 4.350 . 4.350 4.167 3.921 4.243 . 0 0 "[ . 1]" 1
291 1 22 LEU H 1 23 LEU H 3.450 . 3.450 2.465 2.296 2.569 . 0 0 "[ . 1]" 1
292 1 22 LEU H 1 23 LEU HB2 5.000 . 5.000 4.895 4.551 5.115 0.115 10 0 "[ . 1]" 1
293 1 22 LEU H 1 23 LEU HB3 4.990 . 4.990 4.848 4.463 5.036 0.046 2 0 "[ . 1]" 1
294 1 22 LEU HA 1 22 LEU MD1 3.340 . 3.340 2.383 2.103 3.334 . 0 0 "[ . 1]" 1
295 1 22 LEU HA 1 36 LYS H 5.500 . 5.500 4.165 3.171 4.910 . 0 0 "[ . 1]" 1
296 1 22 LEU MD1 1 23 LEU H 5.500 . 5.500 4.671 4.624 4.789 . 0 0 "[ . 1]" 1
297 1 22 LEU MD1 1 36 LYS H 5.000 . 5.000 3.634 3.372 4.143 . 0 0 "[ . 1]" 1
298 1 22 LEU MD1 1 36 LYS QB 3.840 . 3.840 2.615 1.985 4.125 0.285 9 0 "[ . 1]" 1
299 1 22 LEU MD2 1 23 LEU H 3.920 . 3.920 3.874 2.847 4.108 0.188 7 0 "[ . 1]" 1
300 1 22 LEU MD2 1 23 LEU HB2 5.140 . 5.140 3.681 2.188 4.192 . 0 0 "[ . 1]" 1
301 1 22 LEU MD2 1 35 VAL MG2 3.130 . 3.130 2.777 2.024 3.181 0.051 10 0 "[ . 1]" 1
302 1 22 LEU HG 1 23 LEU HA 4.070 . 4.070 3.951 3.726 4.129 0.059 9 0 "[ . 1]" 1
303 1 22 LEU HG 1 35 VAL HA 4.410 . 4.410 4.252 3.723 4.458 0.048 3 0 "[ . 1]" 1
304 1 23 LEU H 1 23 LEU HB2 3.750 . 3.750 2.658 2.403 2.854 . 0 0 "[ . 1]" 1
305 1 23 LEU H 1 23 LEU HB3 3.830 . 3.830 2.567 2.402 2.764 . 0 0 "[ . 1]" 1
306 1 23 LEU H 1 24 SER H 4.820 . 4.820 4.318 3.264 4.583 . 0 0 "[ . 1]" 1
307 1 23 LEU H 1 24 SER HA 5.500 . 5.500 5.037 4.587 5.333 . 0 0 "[ . 1]" 1
308 1 23 LEU H 1 35 VAL HA 5.500 . 5.500 4.921 4.655 5.218 . 0 0 "[ . 1]" 1
309 1 23 LEU HA 1 24 SER H 3.510 . 3.510 2.261 2.154 2.508 . 0 0 "[ . 1]" 1
310 1 23 LEU HA 1 24 SER QB 4.160 . 4.160 4.280 4.142 4.418 0.258 2 0 "[ . 1]" 1
311 1 23 LEU HA 1 35 VAL HA 3.800 . 3.800 2.246 1.949 2.444 . 0 0 "[ . 1]" 1
312 1 23 LEU HA 1 35 VAL HB 3.840 . 3.840 3.544 3.025 3.902 0.062 3 0 "[ . 1]" 1
313 1 23 LEU HA 1 35 VAL MG2 3.760 . 3.760 2.731 2.408 3.057 . 0 0 "[ . 1]" 1
314 1 23 LEU HB2 1 24 SER H 4.570 . 4.570 4.217 3.913 4.619 0.049 9 0 "[ . 1]" 1
315 1 23 LEU HB2 1 35 VAL HA 4.730 . 4.730 4.189 3.655 4.746 0.016 9 0 "[ . 1]" 1
316 1 23 LEU HB3 1 24 SER H 4.450 . 4.450 4.020 3.780 4.418 . 0 0 "[ . 1]" 1
317 1 23 LEU QD 1 24 SER HA 4.180 . 4.180 3.489 2.880 4.276 0.096 2 0 "[ . 1]" 1
318 1 23 LEU QD 1 24 SER QB 4.860 . 4.860 4.234 3.783 4.512 . 0 0 "[ . 1]" 1
319 1 23 LEU QD 1 33 ILE MD 2.400 . 2.400 1.981 1.749 2.521 0.121 7 0 "[ . 1]" 1
320 1 23 LEU QD 1 34 VAL H 4.160 . 4.160 3.716 3.352 4.057 . 0 0 "[ . 1]" 1
321 1 23 LEU QD 1 35 VAL H 4.730 . 4.730 4.155 3.724 4.635 . 0 0 "[ . 1]" 1
322 1 23 LEU QD 1 35 VAL HB 2.860 . 2.860 2.130 1.900 2.732 . 0 0 "[ . 1]" 1
323 1 24 SER H 1 24 SER QB 3.200 . 3.200 2.575 2.269 2.740 . 0 0 "[ . 1]" 1
324 1 24 SER H 1 33 ILE MD 4.380 . 4.380 4.495 4.317 4.675 0.295 7 0 "[ . 1]" 1
325 1 24 SER H 1 34 VAL H 4.060 . 4.060 3.438 3.140 4.155 0.095 2 0 "[ . 1]" 1
326 1 24 SER H 1 34 VAL MG1 4.620 . 4.620 4.184 3.849 4.505 . 0 0 "[ . 1]" 1
327 1 24 SER H 1 35 VAL HA 4.250 . 4.250 2.883 2.751 3.137 . 0 0 "[ . 1]" 1
328 1 24 SER H 1 36 LYS H 5.500 . 5.500 4.548 3.980 4.960 . 0 0 "[ . 1]" 1
329 1 24 SER HA 1 25 LYS H 3.360 . 3.360 2.308 2.221 2.420 . 0 0 "[ . 1]" 1
330 1 24 SER HA 1 34 VAL H 5.500 . 5.500 4.803 4.616 4.907 . 0 0 "[ . 1]" 1
331 1 24 SER HA 1 35 VAL HA 5.420 . 5.420 5.673 5.555 5.730 0.310 3 0 "[ . 1]" 1
332 1 24 SER QB 1 25 LYS H 3.290 . 3.290 3.307 2.920 3.556 0.266 10 0 "[ . 1]" 1
333 1 24 SER QB 1 34 VAL H 5.120 . 5.120 3.481 3.136 3.752 . 0 0 "[ . 1]" 1
334 1 24 SER QB 1 34 VAL HB 3.300 . 3.300 2.699 2.416 2.954 . 0 0 "[ . 1]" 1
335 1 24 SER QB 1 34 VAL MG1 3.180 . 3.180 3.232 3.114 3.338 0.158 10 0 "[ . 1]" 1
336 1 25 LYS HA 1 26 LYS QG 4.830 . 4.830 3.963 3.673 4.123 . 0 0 "[ . 1]" 1
337 1 25 LYS HA 1 33 ILE HA 4.170 . 4.170 2.251 2.050 2.530 . 0 0 "[ . 1]" 1
338 1 25 LYS HA 1 33 ILE HB 5.260 . 5.260 2.650 1.878 3.067 . 0 0 "[ . 1]" 1
339 1 25 LYS HA 1 33 ILE MG 3.820 . 3.820 2.146 1.985 2.336 . 0 0 "[ . 1]" 1
340 1 25 LYS HG2 1 33 ILE HA 5.190 . 5.190 4.386 3.933 4.690 . 0 0 "[ . 1]" 1
341 1 25 LYS HG2 1 33 ILE HB 4.230 . 4.230 3.533 3.007 4.237 0.007 9 0 "[ . 1]" 1
342 1 25 LYS HG2 1 33 ILE MD 4.650 . 4.650 4.426 3.769 4.800 0.150 2 0 "[ . 1]" 1
343 1 25 LYS HG2 1 33 ILE MG 3.440 . 3.440 2.203 1.900 2.408 . 0 0 "[ . 1]" 1
344 1 25 LYS HG3 1 33 ILE MG 3.720 . 3.720 3.445 2.922 3.698 . 0 0 "[ . 1]" 1
345 1 26 LYS H 1 26 LYS HB2 3.910 . 3.910 2.284 2.176 2.411 . 0 0 "[ . 1]" 1
346 1 26 LYS H 1 26 LYS HB3 3.740 . 3.740 3.522 3.462 3.632 . 0 0 "[ . 1]" 1
347 1 26 LYS H 1 26 LYS QD 4.510 . 4.510 3.917 3.557 4.395 . 0 0 "[ . 1]" 1
348 1 26 LYS H 1 26 LYS QE 5.500 . 5.500 3.984 3.095 4.763 . 0 0 "[ . 1]" 1
349 1 26 LYS H 1 26 LYS QG 3.890 . 3.890 2.525 2.343 2.765 . 0 0 "[ . 1]" 1
350 1 26 LYS H 1 27 GLN HB2 5.500 . 5.500 4.533 4.130 4.865 . 0 0 "[ . 1]" 1
351 1 26 LYS H 1 27 GLN QE 4.540 . 4.540 4.474 3.753 4.772 0.232 1 0 "[ . 1]" 1
352 1 26 LYS H 1 32 ILE H 5.080 . 5.080 4.746 4.428 5.235 0.155 5 0 "[ . 1]" 1
353 1 26 LYS H 1 32 ILE HB 4.210 . 4.210 4.343 4.200 4.458 0.248 4 0 "[ . 1]" 1
354 1 26 LYS H 1 33 ILE H 5.450 . 5.450 4.208 4.111 4.300 . 0 0 "[ . 1]" 1
355 1 26 LYS H 1 33 ILE HA 4.270 . 4.270 1.796 1.701 2.149 0.099 5 0 "[ . 1]" 1
356 1 26 LYS H 1 33 ILE MD 5.450 . 5.450 5.353 5.014 5.625 0.175 9 0 "[ . 1]" 1
357 1 26 LYS H 1 33 ILE MG 4.050 . 4.050 3.102 2.993 3.265 . 0 0 "[ . 1]" 1
358 1 26 LYS HA 1 26 LYS QD 3.320 . 3.320 2.178 1.816 2.614 . 0 0 "[ . 1]" 1
359 1 26 LYS HA 1 26 LYS QE 4.250 . 4.250 2.949 1.880 3.941 . 0 0 "[ . 1]" 1
360 1 26 LYS HA 1 27 GLN QE 3.960 . 3.960 3.950 3.760 4.099 0.139 8 0 "[ . 1]" 1
361 1 26 LYS HA 1 33 ILE HA 4.810 . 4.810 4.447 4.284 4.585 . 0 0 "[ . 1]" 1
362 1 26 LYS HB2 1 26 LYS QE 4.720 . 4.720 4.055 3.782 4.275 . 0 0 "[ . 1]" 1
363 1 26 LYS HB2 1 27 GLN HA 4.370 . 4.370 4.494 4.387 4.563 0.193 2 0 "[ . 1]" 1
364 1 26 LYS HB2 1 27 GLN QE 4.800 . 4.800 3.027 2.468 3.419 . 0 0 "[ . 1]" 1
365 1 26 LYS HB2 1 32 ILE MG 3.790 . 3.790 2.470 2.114 2.779 . 0 0 "[ . 1]" 1
366 1 26 LYS HB2 1 33 ILE HA 5.030 . 5.030 3.101 2.671 3.280 . 0 0 "[ . 1]" 1
367 1 26 LYS HB3 1 26 LYS QE 3.990 . 3.990 3.784 3.485 4.029 0.039 10 0 "[ . 1]" 1
368 1 26 LYS HB3 1 27 GLN QE 4.640 . 4.640 2.501 2.277 2.734 . 0 0 "[ . 1]" 1
369 1 26 LYS HB3 1 32 ILE MG 3.800 . 3.800 3.460 3.133 3.834 0.034 2 0 "[ . 1]" 1
370 1 26 LYS HB3 1 33 ILE H 5.500 . 5.500 5.722 5.518 5.882 0.382 2 0 "[ . 1]" 1
371 1 26 LYS QD 1 27 GLN QE 4.750 . 4.750 4.216 3.850 4.485 . 0 0 "[ . 1]" 1
372 1 26 LYS QE 1 26 LYS QG 3.340 . 3.340 2.163 2.141 2.204 . 0 0 "[ . 1]" 1
373 1 26 LYS QE 1 34 VAL H 4.390 . 4.390 4.054 3.552 4.458 0.068 1 0 "[ . 1]" 1
374 1 26 LYS QE 1 34 VAL MG1 3.250 . 3.250 3.285 2.841 3.510 0.260 9 0 "[ . 1]" 1
375 1 26 LYS QG 1 34 VAL H 4.570 . 4.570 3.244 2.853 3.432 . 0 0 "[ . 1]" 1
376 1 27 GLN HA 1 27 GLN QE 3.170 . 3.170 2.406 2.258 2.639 . 0 0 "[ . 1]" 1
377 1 27 GLN HA 1 27 GLN HG2 3.730 . 3.730 3.178 2.927 3.591 . 0 0 "[ . 1]" 1
378 1 27 GLN HA 1 32 ILE H 5.500 . 5.500 4.933 4.611 5.340 . 0 0 "[ . 1]" 1
379 1 27 GLN HB2 1 32 ILE H 3.920 . 3.920 2.139 1.789 2.413 0.011 6 0 "[ . 1]" 1
380 1 27 GLN HB3 1 27 GLN QE 3.640 . 3.640 3.599 3.452 3.761 0.121 5 0 "[ . 1]" 1
381 1 27 GLN HB3 1 28 GLU H 3.860 . 3.860 2.370 1.750 3.126 0.050 4 0 "[ . 1]" 1
382 1 27 GLN HB3 1 29 ASP H 3.620 . 3.620 2.986 2.332 3.500 . 0 0 "[ . 1]" 1
383 1 27 GLN HB3 1 30 GLY H 4.790 . 4.790 4.115 2.524 4.890 0.100 1 0 "[ . 1]" 1
384 1 27 GLN HB3 1 31 SER H 4.910 . 4.910 4.231 2.860 4.931 0.021 6 0 "[ . 1]" 1
385 1 27 GLN HB3 1 32 ILE H 4.270 . 4.270 3.393 2.859 3.946 . 0 0 "[ . 1]" 1
386 1 27 GLN HB3 1 32 ILE HB 4.090 . 4.090 4.121 3.519 4.496 0.406 6 0 "[ . 1]" 1
387 1 27 GLN QE 1 32 ILE H 5.500 . 5.500 4.682 3.913 5.231 . 0 0 "[ . 1]" 1
388 1 27 GLN QE 1 32 ILE MD 4.140 . 4.140 3.614 2.565 4.102 . 0 0 "[ . 1]" 1
389 1 27 GLN QE 1 32 ILE MG 4.180 . 4.180 3.678 2.559 4.224 0.044 1 0 "[ . 1]" 1
390 1 27 GLN HG2 1 32 ILE MD 3.520 . 3.520 3.079 2.459 3.546 0.026 4 0 "[ . 1]" 1
391 1 27 GLN HG3 1 28 GLU H 4.410 . 4.410 4.010 2.677 4.677 0.267 5 0 "[ . 1]" 1
392 1 27 GLN HG3 1 32 ILE MD 3.580 . 3.580 3.370 2.888 3.804 0.224 8 0 "[ . 1]" 1
393 1 28 GLU H 1 28 GLU HB3 3.560 . 3.560 2.715 2.525 2.882 . 0 0 "[ . 1]" 1
394 1 28 GLU H 1 28 GLU QG 3.810 . 3.810 2.155 1.788 3.095 0.012 3 0 "[ . 1]" 1
395 1 28 GLU H 1 29 ASP H 4.030 . 4.030 2.699 2.242 3.331 . 0 0 "[ . 1]" 1
396 1 28 GLU H 1 29 ASP HA 5.500 . 5.500 5.168 4.750 5.511 0.011 7 0 "[ . 1]" 1
397 1 28 GLU HA 1 28 GLU HB2 2.620 . 2.620 2.484 2.422 2.540 . 0 0 "[ . 1]" 1
398 1 28 GLU HA 1 28 GLU HB3 2.400 . 2.400 2.388 2.329 2.465 0.065 4 0 "[ . 1]" 1
399 1 28 GLU HB3 1 28 GLU QG 2.400 . 2.400 2.361 2.308 2.426 0.026 5 0 "[ . 1]" 1
400 1 28 GLU QG 1 29 ASP H 3.300 . 3.300 2.192 1.813 2.842 . 0 0 "[ . 1]" 1
401 1 29 ASP H 1 29 ASP HB2 3.950 . 3.950 3.281 2.432 3.970 0.020 1 0 "[ . 1]" 1
402 1 29 ASP H 1 29 ASP HB3 3.800 . 3.800 3.365 2.704 3.700 . 0 0 "[ . 1]" 1
403 1 29 ASP H 1 30 GLY H 3.260 . 3.260 2.980 2.419 3.468 0.208 1 0 "[ . 1]" 1
404 1 29 ASP H 1 31 SER H 5.040 . 5.040 3.961 2.883 4.581 . 0 0 "[ . 1]" 1
405 1 29 ASP H 1 32 ILE H 5.060 . 5.060 5.059 4.539 5.356 0.296 6 0 "[ . 1]" 1
406 1 29 ASP HA 1 31 SER H 4.890 . 4.890 4.624 3.939 5.119 0.229 1 0 "[ . 1]" 1
407 1 29 ASP HB2 1 30 GLY H 3.830 . 3.830 3.552 2.057 4.254 0.424 7 0 "[ . 1]" 1
408 1 30 GLY H 1 31 SER HB3 5.500 . 5.500 4.797 4.018 5.658 0.158 7 0 "[ . 1]" 1
409 1 30 GLY H 1 32 ILE H 4.210 . 4.210 4.047 3.201 4.723 0.513 3 1 "[ + . 1]" 1
410 1 31 SER H 1 32 ILE H 3.520 . 3.520 3.178 2.303 3.814 0.294 6 0 "[ . 1]" 1
411 1 31 SER HA 1 49 PHE H 4.690 . 4.690 3.892 3.378 4.689 . 0 0 "[ . 1]" 1
412 1 31 SER HA 1 49 PHE QB 4.090 . 4.090 2.210 1.990 2.511 . 0 0 "[ . 1]" 1
413 1 31 SER HA 1 49 PHE HD2 5.500 . 5.500 3.973 3.636 4.261 . 0 0 "[ . 1]" 1
414 1 31 SER HB2 1 32 ILE H 4.630 . 4.630 3.796 3.081 4.331 . 0 0 "[ . 1]" 1
415 1 31 SER HB2 1 49 PHE H 5.070 . 5.070 4.654 3.137 5.398 0.328 1 0 "[ . 1]" 1
416 1 31 SER HB3 1 32 ILE H 5.260 . 5.260 3.404 2.168 4.497 . 0 0 "[ . 1]" 1
417 1 32 ILE H 1 32 ILE HB 4.160 . 4.160 2.902 2.600 3.138 . 0 0 "[ . 1]" 1
418 1 32 ILE H 1 32 ILE MG 4.190 . 4.190 3.938 3.816 4.037 . 0 0 "[ . 1]" 1
419 1 32 ILE H 1 33 ILE H 4.770 . 4.770 4.294 4.103 4.571 . 0 0 "[ . 1]" 1
420 1 32 ILE H 1 49 PHE H 4.910 . 4.910 4.801 4.643 4.954 0.044 8 0 "[ . 1]" 1
421 1 32 ILE HA 1 32 ILE MD 4.010 . 4.010 3.746 3.693 3.809 . 0 0 "[ . 1]" 1
422 1 32 ILE HA 1 32 ILE MG 3.570 . 3.570 2.338 2.211 2.415 . 0 0 "[ . 1]" 1
423 1 32 ILE HA 1 48 SER HB2 4.940 . 4.940 4.295 4.068 4.673 . 0 0 "[ . 1]" 1
424 1 32 ILE HA 1 49 PHE HD2 4.550 . 4.550 2.927 2.553 3.376 . 0 0 "[ . 1]" 1
425 1 32 ILE MD 1 48 SER HA 4.100 . 4.100 3.576 3.244 3.764 . 0 0 "[ . 1]" 1
426 1 32 ILE MD 1 48 SER HB2 3.700 . 3.700 3.059 2.762 3.840 0.140 7 0 "[ . 1]" 1
427 1 32 ILE MD 1 48 SER HB3 3.830 . 3.830 4.098 4.023 4.234 0.404 8 0 "[ . 1]" 1
428 1 32 ILE HG12 1 32 ILE MG 3.070 . 3.070 2.528 2.484 2.589 . 0 0 "[ . 1]" 1
429 1 32 ILE HG12 1 48 SER HB2 4.960 . 4.960 3.307 2.851 3.996 . 0 0 "[ . 1]" 1
430 1 32 ILE MG 1 33 ILE H 4.090 . 4.090 2.366 2.192 2.593 . 0 0 "[ . 1]" 1
431 1 32 ILE MG 1 47 ILE MG 4.930 . 4.930 4.804 4.720 4.883 . 0 0 "[ . 1]" 1
432 1 32 ILE MG 1 48 SER H 5.200 . 5.200 4.074 3.794 4.236 . 0 0 "[ . 1]" 1
433 1 32 ILE MG 1 48 SER HA 4.110 . 4.110 2.394 2.168 2.592 . 0 0 "[ . 1]" 1
434 1 32 ILE MG 1 48 SER HB2 3.200 . 3.200 2.938 2.759 3.276 0.076 7 0 "[ . 1]" 1
435 1 32 ILE MG 1 48 SER HB3 4.260 . 4.260 4.209 3.983 4.332 0.072 9 0 "[ . 1]" 1
436 1 32 ILE MG 1 49 PHE H 5.050 . 5.050 4.217 4.042 4.443 . 0 0 "[ . 1]" 1
437 1 32 ILE MG 1 49 PHE HD2 4.460 . 4.460 4.575 4.359 4.806 0.346 5 0 "[ . 1]" 1
438 1 33 ILE H 1 33 ILE MG 4.050 . 4.050 3.002 2.753 3.118 . 0 0 "[ . 1]" 1
439 1 33 ILE H 1 47 ILE H 3.360 . 3.360 3.269 3.076 3.395 0.035 9 0 "[ . 1]" 1
440 1 33 ILE H 1 47 ILE HA 5.500 . 5.500 4.891 4.826 4.954 . 0 0 "[ . 1]" 1
441 1 33 ILE H 1 47 ILE HG13 5.500 . 5.500 5.371 5.226 5.555 0.055 2 0 "[ . 1]" 1
442 1 33 ILE H 1 49 PHE HD2 5.060 . 5.060 3.847 3.642 4.089 . 0 0 "[ . 1]" 1
443 1 33 ILE HA 1 33 ILE MD 4.350 . 4.350 3.985 3.686 4.180 . 0 0 "[ . 1]" 1
444 1 33 ILE HA 1 33 ILE MG 3.630 . 3.630 2.437 2.369 2.710 . 0 0 "[ . 1]" 1
445 1 33 ILE HB 1 33 ILE MD 3.630 . 3.630 2.412 2.240 3.226 . 0 0 "[ . 1]" 1
446 1 33 ILE HB 1 34 VAL H 4.130 . 4.130 2.250 2.091 2.456 . 0 0 "[ . 1]" 1
447 1 33 ILE HB 1 35 VAL H 5.500 . 5.500 4.828 4.616 5.359 . 0 0 "[ . 1]" 1
448 1 33 ILE MD 1 33 ILE MG 2.940 . 2.940 2.318 1.965 3.084 0.144 2 0 "[ . 1]" 1
449 1 33 ILE MD 1 34 VAL H 3.920 . 3.920 3.570 2.764 3.950 0.030 4 0 "[ . 1]" 1
450 1 33 ILE MD 1 35 VAL H 4.830 . 4.830 3.584 2.472 4.332 . 0 0 "[ . 1]" 1
451 1 33 ILE MD 1 47 ILE MD 3.100 . 3.100 2.747 2.065 3.472 0.372 2 0 "[ . 1]" 1
452 1 33 ILE MD 1 47 ILE MG 4.250 . 4.250 3.456 3.229 3.843 . 0 0 "[ . 1]" 1
453 1 33 ILE MD 1 49 PHE HD2 4.720 . 4.720 4.335 3.714 4.778 0.058 2 0 "[ . 1]" 1
454 1 33 ILE MG 1 34 VAL H 3.720 . 3.720 3.660 3.539 3.857 0.137 7 0 "[ . 1]" 1
455 1 33 ILE MG 1 47 ILE MG 5.070 . 5.070 4.997 4.655 5.114 0.044 1 0 "[ . 1]" 1
456 1 33 ILE MG 1 49 PHE HD2 3.520 . 3.520 3.556 3.172 3.654 0.134 8 0 "[ . 1]" 1
457 1 34 VAL H 1 34 VAL HB 3.970 . 3.970 2.679 2.557 2.743 . 0 0 "[ . 1]" 1
458 1 34 VAL H 1 34 VAL MG1 4.210 . 4.210 3.794 3.749 3.824 . 0 0 "[ . 1]" 1
459 1 34 VAL H 1 35 VAL H 5.090 . 5.090 3.972 3.907 4.056 . 0 0 "[ . 1]" 1
460 1 34 VAL HA 1 34 VAL MG1 3.080 . 3.080 2.515 2.459 2.567 . 0 0 "[ . 1]" 1
461 1 34 VAL HA 1 35 VAL H 3.530 . 3.530 2.142 2.105 2.179 . 0 0 "[ . 1]" 1
462 1 34 VAL HA 1 46 GLN H 5.500 . 5.500 4.694 4.611 4.786 . 0 0 "[ . 1]" 1
463 1 34 VAL HA 1 46 GLN HA 4.120 . 4.120 2.493 2.313 2.678 . 0 0 "[ . 1]" 1
464 1 34 VAL HA 1 47 ILE H 4.610 . 4.610 3.063 2.903 3.257 . 0 0 "[ . 1]" 1
465 1 34 VAL HB 1 35 VAL H 5.060 . 5.060 4.429 4.390 4.487 . 0 0 "[ . 1]" 1
466 1 34 VAL MG1 1 35 VAL H 3.480 . 3.480 3.110 3.028 3.186 . 0 0 "[ . 1]" 1
467 1 34 VAL MG1 1 44 THR HB 3.130 . 3.130 2.243 1.912 2.568 . 0 0 "[ . 1]" 1
468 1 34 VAL MG1 1 46 GLN HA 3.820 . 3.820 3.337 3.182 3.488 . 0 0 "[ . 1]" 1
469 1 34 VAL MG1 1 46 GLN QB 3.740 . 3.740 3.734 3.372 3.834 0.094 3 0 "[ . 1]" 1
470 1 35 VAL H 1 35 VAL HB 4.070 . 4.070 2.936 2.821 3.032 . 0 0 "[ . 1]" 1
471 1 35 VAL H 1 35 VAL MG1 2.970 . 2.970 2.013 1.981 2.063 . 0 0 "[ . 1]" 1
472 1 35 VAL H 1 35 VAL MG2 3.740 . 3.740 3.839 3.805 3.863 0.123 5 0 "[ . 1]" 1
473 1 35 VAL H 1 36 LYS H 4.970 . 4.970 4.486 4.366 4.581 . 0 0 "[ . 1]" 1
474 1 35 VAL H 1 44 THR HB 5.430 . 5.430 4.703 4.514 4.849 . 0 0 "[ . 1]" 1
475 1 35 VAL H 1 45 LEU H 3.220 . 3.220 3.306 3.180 3.369 0.149 1 0 "[ . 1]" 1
476 1 35 VAL H 1 45 LEU HA 5.090 . 5.090 4.942 4.831 5.059 . 0 0 "[ . 1]" 1
477 1 35 VAL H 1 45 LEU HB2 4.970 . 4.970 3.246 3.101 3.463 . 0 0 "[ . 1]" 1
478 1 35 VAL H 1 45 LEU MD2 4.020 . 4.020 4.022 3.860 4.101 0.081 1 0 "[ . 1]" 1
479 1 35 VAL H 1 46 GLN HA 4.620 . 4.620 3.978 3.732 4.181 . 0 0 "[ . 1]" 1
480 1 35 VAL H 1 47 ILE H 4.820 . 4.820 4.237 4.085 4.412 . 0 0 "[ . 1]" 1
481 1 35 VAL H 1 47 ILE MD 4.470 . 4.470 3.680 3.513 3.828 . 0 0 "[ . 1]" 1
482 1 35 VAL H 1 47 ILE MG 5.500 . 5.500 5.698 5.457 5.844 0.344 6 0 "[ . 1]" 1
483 1 35 VAL HA 1 35 VAL MG2 3.360 . 3.360 2.389 2.366 2.419 . 0 0 "[ . 1]" 1
484 1 35 VAL HA 1 36 LYS H 3.510 . 3.510 2.293 2.116 2.424 . 0 0 "[ . 1]" 1
485 1 35 VAL HB 1 36 LYS H 4.220 . 4.220 4.014 3.922 4.146 . 0 0 "[ . 1]" 1
486 1 35 VAL MG1 1 36 LYS H 3.790 . 3.790 3.694 3.517 3.953 0.163 9 0 "[ . 1]" 1
487 1 35 VAL MG1 1 37 VAL HA 5.270 . 5.270 4.951 4.591 5.333 0.063 2 0 "[ . 1]" 1
488 1 35 VAL MG1 1 45 LEU H 3.500 . 3.500 3.148 2.878 3.367 . 0 0 "[ . 1]" 1
489 1 35 VAL MG1 1 45 LEU HB2 3.070 . 3.070 2.175 1.821 2.446 . 0 0 "[ . 1]" 1
490 1 35 VAL MG1 1 47 ILE H 4.820 . 4.820 4.634 4.444 4.828 0.008 1 0 "[ . 1]" 1
491 1 35 VAL MG1 1 47 ILE MD 2.420 . 2.420 2.177 2.004 2.466 0.046 2 0 "[ . 1]" 1
492 1 35 VAL MG2 1 36 LYS QB 4.800 . 4.800 3.838 3.611 4.064 . 0 0 "[ . 1]" 1
493 1 35 VAL MG2 1 37 VAL H 5.280 . 5.280 4.658 4.128 4.951 . 0 0 "[ . 1]" 1
494 1 35 VAL MG2 1 37 VAL HA 4.430 . 4.430 4.275 3.908 4.514 0.084 6 0 "[ . 1]" 1
495 1 36 LYS H 1 36 LYS QG 4.490 . 4.490 4.010 3.946 4.062 . 0 0 "[ . 1]" 1
496 1 36 LYS H 1 37 VAL H 4.950 . 4.950 4.478 4.393 4.605 . 0 0 "[ . 1]" 1
497 1 36 LYS H 1 45 LEU H 5.500 . 5.500 4.633 4.503 4.750 . 0 0 "[ . 1]" 1
498 1 36 LYS HA 1 45 LEU MD2 4.940 . 4.940 2.778 2.529 3.137 . 0 0 "[ . 1]" 1
499 1 36 LYS QB 1 45 LEU H 4.110 . 4.110 4.432 4.319 4.744 0.634 10 1 "[ . +]" 1
500 1 36 LYS QG 1 40 HIS H 5.240 . 5.240 4.781 3.716 5.396 0.156 9 0 "[ . 1]" 1
501 1 36 LYS QG 1 41 GLU HA 4.680 . 4.680 3.477 2.201 5.261 0.581 7 1 "[ . + 1]" 1
502 1 36 LYS QG 1 44 THR H 5.500 . 5.500 4.465 3.950 5.074 . 0 0 "[ . 1]" 1
503 1 36 LYS QG 1 44 THR HA 5.340 . 5.340 3.212 2.924 3.746 . 0 0 "[ . 1]" 1
504 1 37 VAL H 1 37 VAL MG1 4.750 . 4.750 3.754 3.671 3.830 . 0 0 "[ . 1]" 1
505 1 37 VAL H 1 37 VAL MG2 3.470 . 3.470 2.135 1.871 3.096 . 0 0 "[ . 1]" 1
506 1 37 VAL H 1 41 GLU H 5.400 . 5.400 4.767 4.306 5.582 0.182 10 0 "[ . 1]" 1
507 1 37 VAL H 1 41 GLU QG 4.460 . 4.460 4.580 3.961 4.860 0.400 9 0 "[ . 1]" 1
508 1 37 VAL H 1 42 TYR H 5.050 . 5.050 4.045 3.754 4.450 . 0 0 "[ . 1]" 1
509 1 37 VAL H 1 43 MET H 4.270 . 4.270 4.192 3.916 4.472 0.202 9 0 "[ . 1]" 1
510 1 37 VAL H 1 44 THR H 5.500 . 5.500 5.141 4.814 5.523 0.023 10 0 "[ . 1]" 1
511 1 37 VAL H 1 44 THR HA 4.650 . 4.650 3.259 3.035 3.483 . 0 0 "[ . 1]" 1
512 1 37 VAL H 1 44 THR HB 5.110 . 5.110 5.401 5.301 5.463 0.353 8 0 "[ . 1]" 1
513 1 37 VAL H 1 45 LEU H 5.070 . 5.070 4.571 4.275 5.142 0.072 10 0 "[ . 1]" 1
514 1 37 VAL HA 1 37 VAL MG1 3.630 . 3.630 2.443 2.355 2.521 . 0 0 "[ . 1]" 1
515 1 37 VAL HA 1 37 VAL MG2 3.640 . 3.640 2.368 2.301 2.472 . 0 0 "[ . 1]" 1
516 1 37 VAL HB 1 41 GLU H 5.500 . 5.500 3.241 2.433 5.066 . 0 0 "[ . 1]" 1
517 1 37 VAL MG1 1 39 GLN H 4.730 . 4.730 2.177 1.739 4.465 0.061 5 0 "[ . 1]" 1
518 1 37 VAL MG1 1 39 GLN HA 5.500 . 5.500 4.327 4.009 5.212 . 0 0 "[ . 1]" 1
519 1 37 VAL MG1 1 40 HIS H 4.670 . 4.670 2.985 2.485 3.412 . 0 0 "[ . 1]" 1
520 1 37 VAL MG1 1 40 HIS QB 5.470 . 5.470 4.087 1.891 5.549 0.079 7 0 "[ . 1]" 1
521 1 37 VAL MG1 1 41 GLU H 4.870 . 4.870 3.300 3.080 4.380 . 0 0 "[ . 1]" 1
522 1 37 VAL MG1 1 41 GLU HA 4.260 . 4.260 4.436 4.289 4.584 0.324 6 0 "[ . 1]" 1
523 1 37 VAL MG1 1 41 GLU QG 5.260 . 5.260 3.434 1.775 4.563 0.025 6 0 "[ . 1]" 1
524 1 37 VAL MG1 1 107 LEU MD2 3.950 . 3.950 3.955 3.490 4.237 0.287 2 0 "[ . 1]" 1
525 1 37 VAL MG2 1 42 TYR H 5.500 . 5.500 4.129 3.405 4.676 . 0 0 "[ . 1]" 1
526 1 37 VAL MG2 1 43 MET H 5.140 . 5.140 3.559 2.801 4.163 . 0 0 "[ . 1]" 1
527 1 37 VAL MG2 1 44 THR HA 5.500 . 5.500 3.768 2.965 3.995 . 0 0 "[ . 1]" 1
528 1 37 VAL MG2 1 45 LEU H 4.720 . 4.720 4.544 3.917 4.811 0.091 6 0 "[ . 1]" 1
529 1 37 VAL MG2 1 45 LEU MD2 3.040 . 3.040 2.140 1.779 2.549 0.021 10 0 "[ . 1]" 1
530 1 37 VAL MG2 1 107 LEU MD2 3.610 . 3.610 3.149 2.899 3.393 . 0 0 "[ . 1]" 1
531 1 39 GLN H 1 40 HIS H 4.170 . 4.170 2.649 2.509 3.016 . 0 0 "[ . 1]" 1
532 1 39 GLN H 1 41 GLU H 3.780 . 3.780 3.764 3.437 3.943 0.163 10 0 "[ . 1]" 1
533 1 39 GLN H 1 41 GLU QG 4.470 . 4.470 3.855 2.971 4.572 0.102 2 0 "[ . 1]" 1
534 1 40 HIS H 1 41 GLU H 3.690 . 3.690 2.047 1.579 2.699 0.221 4 0 "[ . 1]" 1
535 1 40 HIS H 1 41 GLU QG 3.630 . 3.630 3.273 2.812 3.768 0.138 7 0 "[ . 1]" 1
536 1 40 HIS H 1 42 TYR H 5.500 . 5.500 5.018 4.615 5.742 0.242 1 0 "[ . 1]" 1
537 1 40 HIS HA 1 42 TYR H 5.500 . 5.500 5.272 3.614 5.775 0.275 3 0 "[ . 1]" 1
538 1 41 GLU H 1 41 GLU HB2 3.890 . 3.890 2.960 2.354 3.546 . 0 0 "[ . 1]" 1
539 1 41 GLU H 1 41 GLU HB3 4.160 . 4.160 3.787 3.534 4.089 . 0 0 "[ . 1]" 1
540 1 41 GLU H 1 41 GLU QG 3.200 . 3.200 2.409 2.032 2.772 . 0 0 "[ . 1]" 1
541 1 41 GLU H 1 42 TYR H 3.490 . 3.490 3.344 2.875 3.805 0.315 5 0 "[ . 1]" 1
542 1 41 GLU H 1 42 TYR QD 5.500 . 5.500 4.973 4.119 5.842 0.342 5 0 "[ . 1]" 1
543 1 41 GLU HA 1 41 GLU QG 3.150 . 3.150 2.542 2.245 3.020 . 0 0 "[ . 1]" 1
544 1 41 GLU HA 1 43 MET H 3.970 . 3.970 4.072 3.744 4.541 0.571 6 2 "[- .+ 1]" 1
545 1 41 GLU HB2 1 42 TYR H 4.440 . 4.440 3.521 1.793 4.486 0.046 2 0 "[ . 1]" 1
546 1 41 GLU HB3 1 42 TYR H 5.500 . 5.500 3.518 2.004 4.162 . 0 0 "[ . 1]" 1
547 1 41 GLU QG 1 42 TYR H 4.130 . 4.130 4.096 3.578 4.311 0.181 8 0 "[ . 1]" 1
548 1 42 TYR H 1 42 TYR HB3 4.040 . 4.040 3.846 3.740 4.166 0.126 7 0 "[ . 1]" 1
549 1 42 TYR H 1 43 MET H 3.260 . 3.260 1.777 1.549 2.255 0.251 1 0 "[ . 1]" 1
550 1 42 TYR H 1 43 MET HA 4.270 . 4.270 4.318 4.170 4.675 0.405 7 0 "[ . 1]" 1
551 1 42 TYR H 1 44 THR H 4.950 . 4.950 5.213 5.117 5.286 0.336 7 0 "[ . 1]" 1
552 1 42 TYR HA 1 42 TYR QD 4.100 . 4.100 2.779 2.198 3.754 . 0 0 "[ . 1]" 1
553 1 42 TYR HA 1 67 CYS HB2 3.670 . 3.670 3.826 3.554 4.013 0.343 1 0 "[ . 1]" 1
554 1 42 TYR HB2 1 66 VAL MG2 3.710 . 3.710 3.108 2.421 3.798 0.088 6 0 "[ . 1]" 1
555 1 42 TYR QD 1 43 MET H 5.430 . 5.430 4.198 2.906 4.738 . 0 0 "[ . 1]" 1
556 1 42 TYR QD 1 66 VAL HA 4.830 . 4.830 4.613 3.027 5.022 0.192 7 0 "[ . 1]" 1
557 1 42 TYR QD 1 67 CYS H 5.500 . 5.500 3.194 2.229 3.659 . 0 0 "[ . 1]" 1
558 1 42 TYR QD 1 67 CYS HB2 4.650 . 4.650 2.440 1.799 3.518 0.001 8 0 "[ . 1]" 1
559 1 42 TYR QD 1 67 CYS HB3 4.720 . 4.720 3.854 3.286 4.805 0.085 1 0 "[ . 1]" 1
560 1 43 MET H 1 43 MET HG2 5.080 . 5.080 4.460 4.358 4.569 . 0 0 "[ . 1]" 1
561 1 43 MET H 1 43 MET HG3 4.590 . 4.590 4.504 4.458 4.583 . 0 0 "[ . 1]" 1
562 1 43 MET H 1 44 THR H 5.190 . 5.190 4.232 4.081 4.320 . 0 0 "[ . 1]" 1
563 1 43 MET H 1 44 THR MG 4.500 . 4.500 4.378 4.279 4.564 0.064 5 0 "[ . 1]" 1
564 1 43 MET HA 1 43 MET ME 3.990 . 3.990 3.668 3.423 3.993 0.003 6 0 "[ . 1]" 1
565 1 43 MET HA 1 43 MET HG2 3.470 . 3.470 3.262 3.170 3.349 . 0 0 "[ . 1]" 1
566 1 43 MET HA 1 43 MET HG3 3.920 . 3.920 2.392 2.283 2.480 . 0 0 "[ . 1]" 1
567 1 43 MET HA 1 44 THR H 3.630 . 3.630 2.014 1.985 2.034 . 0 0 "[ . 1]" 1
568 1 43 MET HA 1 64 VAL HB 4.920 . 4.920 5.133 4.982 5.225 0.305 6 0 "[ . 1]" 1
569 1 43 MET HA 1 66 VAL HA 3.880 . 3.880 2.238 2.011 2.410 . 0 0 "[ . 1]" 1
570 1 43 MET HA 1 66 VAL HB 4.960 . 4.960 2.600 2.405 3.016 . 0 0 "[ . 1]" 1
571 1 43 MET HA 1 66 VAL MG2 4.160 . 4.160 2.719 2.540 2.874 . 0 0 "[ . 1]" 1
572 1 43 MET HB2 1 43 MET ME 3.300 . 3.300 2.615 2.023 3.518 0.218 6 0 "[ . 1]" 1
573 1 43 MET ME 1 43 MET HG2 3.480 . 3.480 3.177 2.815 3.379 . 0 0 "[ . 1]" 1
574 1 43 MET ME 1 43 MET HG3 3.710 . 3.710 2.289 2.161 2.409 . 0 0 "[ . 1]" 1
575 1 43 MET ME 1 44 THR H 4.560 . 4.560 4.694 4.630 4.734 0.174 3 0 "[ . 1]" 1
576 1 43 MET ME 1 66 VAL H 4.040 . 4.040 4.109 3.911 4.169 0.129 7 0 "[ . 1]" 1
577 1 43 MET ME 1 66 VAL HA 4.730 . 4.730 4.032 3.941 4.267 . 0 0 "[ . 1]" 1
578 1 43 MET ME 1 66 VAL MG1 2.970 . 2.970 2.208 2.022 2.358 . 0 0 "[ . 1]" 1
579 1 43 MET ME 1 66 VAL MG2 3.570 . 3.570 2.730 2.260 3.292 . 0 0 "[ . 1]" 1
580 1 43 MET ME 1 76 TYR HB2 4.640 . 4.640 4.191 3.831 4.648 0.008 5 0 "[ . 1]" 1
581 1 43 MET ME 1 76 TYR QD 3.310 . 3.310 2.524 2.239 2.923 . 0 0 "[ . 1]" 1
582 1 43 MET ME 1 76 TYR QE 4.720 . 4.720 2.763 1.980 4.175 . 0 0 "[ . 1]" 1
583 1 43 MET ME 1 111 LEU MD1 5.500 . 5.500 4.723 3.874 5.406 . 0 0 "[ . 1]" 1
584 1 43 MET HG2 1 44 THR H 4.790 . 4.790 3.627 3.319 3.892 . 0 0 "[ . 1]" 1
585 1 43 MET HG2 1 64 VAL HA 4.810 . 4.810 4.839 4.527 4.992 0.182 1 0 "[ . 1]" 1
586 1 43 MET HG2 1 64 VAL MG2 3.980 . 3.980 4.040 3.925 4.128 0.148 2 0 "[ . 1]" 1
587 1 43 MET HG3 1 65 GLY H 4.880 . 4.880 3.088 2.803 3.465 . 0 0 "[ . 1]" 1
588 1 44 THR H 1 44 THR HB 4.190 . 4.190 3.694 3.646 3.760 . 0 0 "[ . 1]" 1
589 1 44 THR H 1 45 LEU H 5.200 . 5.200 4.465 4.447 4.498 . 0 0 "[ . 1]" 1
590 1 44 THR H 1 45 LEU MD1 4.360 . 4.360 3.971 3.683 4.344 . 0 0 "[ . 1]" 1
591 1 44 THR H 1 45 LEU MD2 4.990 . 4.990 4.487 4.331 4.866 . 0 0 "[ . 1]" 1
592 1 44 THR H 1 65 GLY H 3.290 . 3.290 3.077 2.859 3.216 . 0 0 "[ . 1]" 1
593 1 44 THR H 1 65 GLY HA2 5.500 . 5.500 4.824 4.744 4.910 . 0 0 "[ . 1]" 1
594 1 44 THR H 1 66 VAL HB 5.090 . 5.090 4.143 3.970 4.342 . 0 0 "[ . 1]" 1
595 1 44 THR HA 1 44 THR MG 2.990 . 2.990 2.386 2.319 2.463 . 0 0 "[ . 1]" 1
596 1 44 THR HB 1 45 LEU H 3.390 . 3.390 2.891 2.633 3.046 . 0 0 "[ . 1]" 1
597 1 44 THR HB 1 65 GLY H 5.500 . 5.500 5.035 4.871 5.214 . 0 0 "[ . 1]" 1
598 1 45 LEU H 1 45 LEU MD1 3.480 . 3.480 3.133 2.990 3.377 . 0 0 "[ . 1]" 1
599 1 45 LEU H 1 45 LEU MD2 3.540 . 3.540 2.011 1.873 2.241 . 0 0 "[ . 1]" 1
600 1 45 LEU H 1 46 GLN H 5.070 . 5.070 4.370 4.306 4.445 . 0 0 "[ . 1]" 1
601 1 45 LEU HA 1 45 LEU MD1 3.720 . 3.720 2.200 2.101 2.286 . 0 0 "[ . 1]" 1
602 1 45 LEU HA 1 46 GLN H 3.520 . 3.520 2.142 2.116 2.157 . 0 0 "[ . 1]" 1
603 1 45 LEU HA 1 64 VAL HA 4.410 . 4.410 2.344 2.225 2.502 . 0 0 "[ . 1]" 1
604 1 45 LEU HA 1 64 VAL MG2 4.320 . 4.320 4.550 4.467 4.636 0.316 3 0 "[ . 1]" 1
605 1 45 LEU HB2 1 46 GLN H 4.490 . 4.490 4.122 4.004 4.244 . 0 0 "[ . 1]" 1
606 1 45 LEU HB2 1 64 VAL MG1 4.730 . 4.730 4.172 3.974 4.380 . 0 0 "[ . 1]" 1
607 1 45 LEU HB3 1 45 LEU MD1 3.130 . 3.130 2.587 2.554 2.676 . 0 0 "[ . 1]" 1
608 1 45 LEU HB3 1 46 GLN H 4.310 . 4.310 3.346 3.173 3.459 . 0 0 "[ . 1]" 1
609 1 45 LEU HB3 1 47 ILE HG12 4.220 . 4.220 3.455 3.093 4.051 . 0 0 "[ . 1]" 1
610 1 45 LEU HB3 1 64 VAL HA 4.890 . 4.890 4.363 4.147 4.681 . 0 0 "[ . 1]" 1
611 1 45 LEU HB3 1 107 LEU MD2 5.470 . 5.470 5.125 4.521 5.476 0.006 9 0 "[ . 1]" 1
612 1 45 LEU MD1 1 46 GLN H 4.130 . 4.130 3.929 3.812 4.029 . 0 0 "[ . 1]" 1
613 1 45 LEU MD1 1 64 VAL HA 3.640 . 3.640 3.154 3.013 3.302 . 0 0 "[ . 1]" 1
614 1 45 LEU MD1 1 64 VAL MG2 3.220 . 3.220 3.324 3.214 3.451 0.231 1 0 "[ . 1]" 1
615 1 45 LEU MD1 1 65 GLY H 3.680 . 3.680 3.398 3.124 3.648 . 0 0 "[ . 1]" 1
616 1 45 LEU MD1 1 107 LEU MD2 3.920 . 3.920 3.572 2.935 3.949 0.029 9 0 "[ . 1]" 1
617 1 45 LEU MD2 1 46 GLN H 5.040 . 5.040 5.026 4.981 5.094 0.054 10 0 "[ . 1]" 1
618 1 45 LEU MD2 1 85 PHE QD 4.000 . 6.000 4.629 4.039 5.660 . 0 0 "[ . 1]" 1
619 1 45 LEU MD2 1 107 LEU MD2 3.360 . 3.360 3.225 2.648 3.501 0.141 5 0 "[ . 1]" 1
620 1 46 GLN H 1 46 GLN QB 3.850 . 3.850 2.247 2.215 2.276 . 0 0 "[ . 1]" 1
621 1 46 GLN H 1 63 GLU H 3.510 . 3.510 3.436 3.313 3.548 0.038 1 0 "[ . 1]" 1
622 1 46 GLN H 1 63 GLU HB2 5.500 . 5.500 4.770 3.784 5.503 0.003 9 0 "[ . 1]" 1
623 1 46 GLN H 1 63 GLU HB3 5.500 . 5.500 4.651 3.913 5.599 0.099 10 0 "[ . 1]" 1
624 1 46 GLN H 1 64 VAL HA 4.200 . 4.200 2.651 2.467 2.809 . 0 0 "[ . 1]" 1
625 1 46 GLN H 1 64 VAL MG1 3.790 . 3.790 3.187 3.017 3.371 . 0 0 "[ . 1]" 1
626 1 46 GLN HA 1 46 GLN HG3 4.270 . 4.270 2.891 2.625 3.301 . 0 0 "[ . 1]" 1
627 1 46 GLN HA 1 47 ILE HG12 5.160 . 5.160 4.670 3.495 4.922 . 0 0 "[ . 1]" 1
628 1 46 GLN QB 1 63 GLU H 3.760 . 3.760 2.666 2.365 2.961 . 0 0 "[ . 1]" 1
629 1 46 GLN HG2 1 63 GLU H 4.780 . 4.780 3.681 2.991 3.996 . 0 0 "[ . 1]" 1
630 1 46 GLN HG3 1 47 ILE H 4.140 . 4.140 3.151 2.750 3.685 . 0 0 "[ . 1]" 1
631 1 46 GLN HG3 1 48 SER H 5.370 . 5.370 5.020 4.519 5.375 0.005 6 0 "[ . 1]" 1
632 1 46 GLN HG3 1 63 GLU H 4.380 . 4.380 3.977 3.055 4.634 0.254 10 0 "[ . 1]" 1
633 1 47 ILE H 1 47 ILE MD 5.120 . 5.120 3.945 3.330 4.112 . 0 0 "[ . 1]" 1
634 1 47 ILE H 1 62 ILE H 5.090 . 5.090 4.485 4.350 4.604 . 0 0 "[ . 1]" 1
635 1 47 ILE HA 1 47 ILE MD 3.880 . 3.880 3.754 2.528 3.909 0.029 9 0 "[ . 1]" 1
636 1 47 ILE HA 1 47 ILE HG12 4.250 . 4.250 2.735 2.593 3.375 . 0 0 "[ . 1]" 1
637 1 47 ILE HA 1 60 ASN H 5.500 . 5.500 4.452 4.308 4.633 . 0 0 "[ . 1]" 1
638 1 47 ILE HA 1 60 ASN HA 5.150 . 5.150 5.358 5.280 5.417 0.267 8 0 "[ . 1]" 1
639 1 47 ILE HA 1 60 ASN HB3 5.190 . 5.190 5.019 4.592 5.210 0.020 2 0 "[ . 1]" 1
640 1 47 ILE HA 1 62 ILE H 5.070 . 5.070 2.434 2.243 2.621 . 0 0 "[ . 1]" 1
641 1 47 ILE HB 1 49 PHE HD2 5.090 . 5.090 4.444 3.854 4.741 . 0 0 "[ . 1]" 1
642 1 47 ILE MD 1 47 ILE MG 3.170 . 3.170 1.929 1.891 2.018 . 0 0 "[ . 1]" 1
643 1 47 ILE MD 1 48 SER H 5.180 . 5.180 4.924 4.223 5.245 0.065 9 0 "[ . 1]" 1
644 1 47 ILE MD 1 61 VAL HA 4.250 . 4.250 3.970 2.610 4.261 0.011 9 0 "[ . 1]" 1
645 1 47 ILE MD 1 85 PHE QD 4.410 . 4.410 4.395 4.096 4.618 0.208 2 0 "[ . 1]" 1
646 1 47 ILE MD 1 89 MET ME 4.750 . 4.750 3.737 2.203 4.742 . 0 0 "[ . 1]" 1
647 1 47 ILE MD 1 103 PHE QE 4.000 . 6.000 3.376 2.619 3.738 . 0 0 "[ . 1]" 1
648 1 47 ILE HG13 1 47 ILE MG 3.710 . 3.710 3.110 2.407 3.198 . 0 0 "[ . 1]" 1
649 1 47 ILE MG 1 48 SER H 3.880 . 3.880 2.410 2.168 2.881 . 0 0 "[ . 1]" 1
650 1 47 ILE MG 1 48 SER HA 5.420 . 5.420 3.844 3.693 4.033 . 0 0 "[ . 1]" 1
651 1 47 ILE MG 1 49 PHE QB 5.080 . 5.080 5.059 4.674 5.140 0.060 8 0 "[ . 1]" 1
652 1 47 ILE MG 1 49 PHE HD2 3.650 . 3.650 3.615 3.163 3.729 0.079 7 0 "[ . 1]" 1
653 1 47 ILE MG 1 60 ASN H 4.240 . 4.240 2.608 2.405 2.798 . 0 0 "[ . 1]" 1
654 1 47 ILE MG 1 61 VAL HA 4.090 . 4.090 2.511 2.386 2.594 . 0 0 "[ . 1]" 1
655 1 47 ILE MG 1 61 VAL MG1 4.030 . 4.030 3.786 2.487 4.233 0.203 7 0 "[ . 1]" 1
656 1 47 ILE MG 1 61 VAL MG2 4.280 . 4.280 3.923 3.483 4.503 0.223 1 0 "[ . 1]" 1
657 1 47 ILE MG 1 62 ILE H 5.500 . 5.500 4.003 3.885 4.098 . 0 0 "[ . 1]" 1
658 1 47 ILE MG 1 63 GLU H 5.500 . 5.500 5.530 5.450 5.572 0.072 9 0 "[ . 1]" 1
659 1 47 ILE MG 1 89 MET ME 3.430 . 3.430 2.996 2.402 3.556 0.126 8 0 "[ . 1]" 1
660 1 48 SER H 1 48 SER HB3 3.500 . 3.500 2.706 2.496 3.095 . 0 0 "[ . 1]" 1
661 1 48 SER H 1 49 PHE HD2 5.500 . 5.500 4.597 4.431 4.933 . 0 0 "[ . 1]" 1
662 1 48 SER H 1 60 ASN H 3.460 . 3.460 2.928 2.672 3.365 . 0 0 "[ . 1]" 1
663 1 48 SER H 1 60 ASN HA 5.270 . 5.270 4.446 4.330 4.716 . 0 0 "[ . 1]" 1
664 1 48 SER H 1 60 ASN HB2 5.040 . 5.040 3.482 3.210 4.025 . 0 0 "[ . 1]" 1
665 1 48 SER H 1 60 ASN HB3 5.020 . 5.020 3.613 2.948 3.871 . 0 0 "[ . 1]" 1
666 1 48 SER H 1 61 VAL HA 4.630 . 4.630 3.337 3.080 3.467 . 0 0 "[ . 1]" 1
667 1 48 SER H 1 62 ILE H 3.940 . 3.940 3.534 3.097 3.810 . 0 0 "[ . 1]" 1
668 1 48 SER H 1 62 ILE MD 4.050 . 4.050 3.391 3.013 3.668 . 0 0 "[ . 1]" 1
669 1 48 SER H 1 62 ILE HG13 4.780 . 4.780 3.988 3.456 4.286 . 0 0 "[ . 1]" 1
670 1 48 SER HA 1 49 PHE QB 5.090 . 5.090 4.230 4.081 4.359 . 0 0 "[ . 1]" 1
671 1 48 SER HA 1 49 PHE HD2 4.870 . 4.870 3.043 2.825 3.617 . 0 0 "[ . 1]" 1
672 1 48 SER HB2 1 49 PHE H 4.930 . 4.930 3.918 3.616 4.661 . 0 0 "[ . 1]" 1
673 1 48 SER HB2 1 60 ASN HB2 3.970 . 3.970 4.055 3.806 4.171 0.201 7 0 "[ . 1]" 1
674 1 48 SER HB2 1 60 ASN HB3 4.110 . 4.110 4.097 2.801 4.313 0.203 8 0 "[ . 1]" 1
675 1 48 SER HB2 1 62 ILE MD 3.160 . 3.160 2.668 2.049 3.140 . 0 0 "[ . 1]" 1
676 1 48 SER HB2 1 62 ILE HG13 3.660 . 3.660 2.314 2.101 2.581 . 0 0 "[ . 1]" 1
677 1 48 SER HB3 1 60 ASN H 4.280 . 4.280 3.759 3.554 3.999 . 0 0 "[ . 1]" 1
678 1 48 SER HB3 1 60 ASN HB2 3.670 . 3.670 2.454 2.184 3.092 . 0 0 "[ . 1]" 1
679 1 48 SER HB3 1 60 ASN HB3 3.560 . 3.560 2.931 2.449 3.091 . 0 0 "[ . 1]" 1
680 1 48 SER HB3 1 62 ILE MD 3.370 . 3.370 2.354 2.092 2.616 . 0 0 "[ . 1]" 1
681 1 49 PHE H 1 49 PHE HD2 5.500 . 5.500 2.834 1.720 3.600 0.080 5 0 "[ . 1]" 1
682 1 49 PHE HD2 1 60 ASN H 4.590 . 4.590 4.711 4.615 4.857 0.267 4 0 "[ . 1]" 1
683 1 50 PRO HA 1 51 THR H 3.120 . 3.120 2.328 2.286 2.368 . 0 0 "[ . 1]" 1
684 1 50 PRO HA 1 52 HIS H 4.290 . 4.290 3.876 3.603 4.032 . 0 0 "[ . 1]" 1
685 1 50 PRO HA 1 53 TYR H 4.920 . 4.920 5.109 4.984 5.241 0.321 9 0 "[ . 1]" 1
686 1 50 PRO HB2 1 51 THR H 3.860 . 3.860 2.633 2.477 2.753 . 0 0 "[ . 1]" 1
687 1 50 PRO HB2 1 51 THR HB 4.350 . 4.350 4.142 4.009 4.293 . 0 0 "[ . 1]" 1
688 1 50 PRO HB2 1 52 HIS H 3.960 . 3.960 2.169 2.044 2.396 . 0 0 "[ . 1]" 1
689 1 50 PRO HB2 1 52 HIS HB2 4.560 . 4.560 3.187 2.876 3.442 . 0 0 "[ . 1]" 1
690 1 50 PRO HB3 1 51 THR H 3.750 . 3.750 3.595 3.480 3.694 . 0 0 "[ . 1]" 1
691 1 50 PRO HB3 1 52 HIS H 4.060 . 4.060 3.864 3.783 3.994 . 0 0 "[ . 1]" 1
692 1 50 PRO HG2 1 51 THR H 4.720 . 4.720 4.242 4.125 4.335 . 0 0 "[ . 1]" 1
693 1 50 PRO HG2 1 53 TYR H 4.350 . 4.350 3.262 3.199 3.426 . 0 0 "[ . 1]" 1
694 1 50 PRO HG3 1 52 HIS H 4.750 . 4.750 3.927 3.640 4.107 . 0 0 "[ . 1]" 1
695 1 50 PRO HG3 1 53 TYR H 4.880 . 4.880 5.029 4.971 5.181 0.301 9 0 "[ . 1]" 1
696 1 51 THR H 1 51 THR HB 3.160 . 3.160 2.689 2.570 2.845 . 0 0 "[ . 1]" 1
697 1 51 THR H 1 52 HIS H 3.400 . 3.400 2.758 2.620 2.907 . 0 0 "[ . 1]" 1
698 1 51 THR H 1 52 HIS HA 5.500 . 5.500 5.327 5.238 5.433 . 0 0 "[ . 1]" 1
699 1 51 THR H 1 53 TYR H 4.410 . 4.410 4.530 4.437 4.613 0.203 10 0 "[ . 1]" 1
700 1 51 THR H 1 53 TYR QE 5.500 . 5.500 5.123 4.537 5.602 0.102 5 0 "[ . 1]" 1
701 1 51 THR HA 1 51 THR MG 3.350 . 3.350 2.317 2.250 2.387 . 0 0 "[ . 1]" 1
702 1 51 THR HA 1 52 HIS HA 4.750 . 4.750 4.612 4.510 4.701 . 0 0 "[ . 1]" 1
703 1 51 THR HA 1 53 TYR H 4.480 . 4.480 3.528 3.238 3.666 . 0 0 "[ . 1]" 1
704 1 51 THR HB 1 52 HIS H 3.260 . 3.260 3.092 2.807 3.437 0.177 9 0 "[ . 1]" 1
705 1 51 THR HB 1 52 HIS HA 4.510 . 4.510 4.468 4.387 4.529 0.019 2 0 "[ . 1]" 1
706 1 51 THR HB 1 52 HIS HD2 4.310 . 4.310 3.634 2.568 4.346 0.036 7 0 "[ . 1]" 1
707 1 51 THR MG 1 52 HIS H 3.850 . 3.850 3.961 3.859 4.083 0.233 9 0 "[ . 1]" 1
708 1 51 THR MG 1 52 HIS HA 5.320 . 5.320 4.043 3.811 4.314 . 0 0 "[ . 1]" 1
709 1 51 THR MG 1 52 HIS HD2 4.620 . 4.620 3.685 2.618 4.730 0.110 2 0 "[ . 1]" 1
710 1 52 HIS H 1 53 TYR H 3.190 . 3.190 2.828 2.297 3.072 . 0 0 "[ . 1]" 1
711 1 52 HIS H 1 53 TYR QE 5.170 . 5.170 5.244 4.753 5.437 0.267 1 0 "[ . 1]" 1
712 1 52 HIS H 1 57 GLU HB2 5.500 . 5.500 5.230 4.938 5.525 0.025 2 0 "[ . 1]" 1
713 1 52 HIS H 1 57 GLU HG3 5.500 . 5.500 5.638 5.547 6.089 0.589 2 1 "[ + . 1]" 1
714 1 52 HIS HA 1 52 HIS HD2 4.530 . 4.530 2.922 2.281 4.580 0.050 2 0 "[ . 1]" 1
715 1 52 HIS HA 1 56 GLU H 5.500 . 5.500 4.419 4.093 4.788 . 0 0 "[ . 1]" 1
716 1 52 HIS HB2 1 57 GLU H 5.170 . 5.170 4.601 4.125 5.167 . 0 0 "[ . 1]" 1
717 1 52 HIS HB2 1 57 GLU HB2 4.670 . 4.670 3.256 2.796 3.958 . 0 0 "[ . 1]" 1
718 1 53 TYR H 1 53 TYR HB2 4.130 . 4.130 3.297 2.882 3.626 . 0 0 "[ . 1]" 1
719 1 53 TYR H 1 53 TYR HB3 3.860 . 3.860 3.248 2.706 3.708 . 0 0 "[ . 1]" 1
720 1 53 TYR H 1 56 GLU H 4.730 . 4.730 4.765 4.397 5.016 0.286 8 0 "[ . 1]" 1
721 1 53 TYR H 1 57 GLU H 4.740 . 4.740 4.549 4.105 4.732 . 0 0 "[ . 1]" 1
722 1 53 TYR HA 1 57 GLU H 4.340 . 4.340 4.413 4.319 4.476 0.136 9 0 "[ . 1]" 1
723 1 53 TYR HB2 1 54 PRO QB 5.200 . 5.200 4.169 3.698 4.766 . 0 0 "[ . 1]" 1
724 1 54 PRO HA 1 57 GLU H 4.030 . 4.030 3.928 3.571 4.170 0.140 3 0 "[ . 1]" 1
725 1 54 PRO HA 1 58 ALA HA 4.640 . 4.640 2.100 1.734 2.625 0.066 3 0 "[ . 1]" 1
726 1 54 PRO HA 1 98 VAL MG1 4.870 . 4.870 4.350 3.986 4.887 0.017 9 0 "[ . 1]" 1
727 1 54 PRO HD2 1 55 SER H 5.140 . 5.140 3.611 2.855 4.107 . 0 0 "[ . 1]" 1
728 1 54 PRO HD2 1 98 VAL MG1 4.490 . 4.490 4.417 4.146 4.612 0.122 5 0 "[ . 1]" 1
729 1 54 PRO HD3 1 98 VAL MG1 4.890 . 4.890 4.988 4.776 5.205 0.315 8 0 "[ . 1]" 1
730 1 55 SER H 1 55 SER QB 3.800 . 3.800 2.528 2.227 2.659 . 0 0 "[ . 1]" 1
731 1 55 SER H 1 56 GLU H 3.660 . 3.660 2.874 2.551 3.057 . 0 0 "[ . 1]" 1
732 1 55 SER H 1 57 GLU H 4.790 . 4.790 4.404 4.110 4.830 0.040 9 0 "[ . 1]" 1
733 1 55 SER QB 1 56 GLU H 5.090 . 5.090 2.829 1.875 3.922 . 0 0 "[ . 1]" 1
734 1 56 GLU H 1 56 GLU HB3 3.810 . 3.810 3.436 2.647 3.798 . 0 0 "[ . 1]" 1
735 1 56 GLU H 1 57 GLU H 3.000 . 3.000 2.539 1.802 3.040 0.040 3 0 "[ . 1]" 1
736 1 56 GLU H 1 57 GLU HA 5.500 . 5.500 4.840 3.971 5.333 . 0 0 "[ . 1]" 1
737 1 56 GLU H 1 58 ALA H 4.640 . 4.640 4.673 3.459 5.113 0.473 6 0 "[ . 1]" 1
738 1 57 GLU H 1 57 GLU HB2 4.160 . 4.160 2.898 2.720 3.344 . 0 0 "[ . 1]" 1
739 1 57 GLU H 1 57 GLU HG2 4.920 . 4.920 4.098 3.868 4.866 . 0 0 "[ . 1]" 1
740 1 57 GLU H 1 57 GLU HG3 3.850 . 3.850 3.309 3.058 4.221 0.371 2 0 "[ . 1]" 1
741 1 57 GLU H 1 58 ALA H 3.970 . 3.970 2.587 2.037 3.198 . 0 0 "[ . 1]" 1
742 1 57 GLU H 1 58 ALA HA 4.350 . 4.350 4.296 4.155 4.414 0.064 8 0 "[ . 1]" 1
743 1 57 GLU H 1 58 ALA MB 4.750 . 4.750 4.649 4.495 4.900 0.150 7 0 "[ . 1]" 1
744 1 57 GLU HA 1 57 GLU HG2 3.690 . 3.690 2.662 2.435 3.803 0.113 2 0 "[ . 1]" 1
745 1 57 GLU HA 1 58 ALA MB 3.790 . 3.790 3.924 3.834 3.999 0.209 7 0 "[ . 1]" 1
746 1 57 GLU HB2 1 58 ALA H 3.890 . 3.890 2.496 1.786 3.911 0.021 9 0 "[ . 1]" 1
747 1 58 ALA H 1 58 ALA MB 3.170 . 3.170 2.967 2.768 3.070 . 0 0 "[ . 1]" 1
748 1 58 ALA HA 1 99 CYS HB2 4.710 . 4.710 4.421 4.121 4.821 0.111 5 0 "[ . 1]" 1
749 1 58 ALA MB 1 89 MET QG 4.350 . 4.350 3.554 2.146 4.602 0.252 1 0 "[ . 1]" 1
750 1 58 ALA MB 1 92 VAL H 4.490 . 4.490 4.640 4.212 5.083 0.593 7 2 "[- . + 1]" 1
751 1 58 ALA MB 1 93 PHE H 4.530 . 4.530 3.791 3.394 4.328 . 0 0 "[ . 1]" 1
752 1 58 ALA MB 1 93 PHE HB2 3.610 . 3.610 3.384 2.681 3.807 0.197 7 0 "[ . 1]" 1
753 1 58 ALA MB 1 94 HIS H 5.350 . 5.350 5.273 4.811 5.646 0.296 4 0 "[ . 1]" 1
754 1 58 ALA MB 1 99 CYS HB2 3.700 . 3.700 3.799 3.530 3.977 0.277 7 0 "[ . 1]" 1
755 1 60 ASN H 1 60 ASN HB2 4.010 . 4.010 2.575 2.471 2.859 . 0 0 "[ . 1]" 1
756 1 60 ASN H 1 61 VAL H 4.720 . 4.720 4.056 3.750 4.241 . 0 0 "[ . 1]" 1
757 1 60 ASN H 1 62 ILE MD 4.760 . 4.760 4.517 4.402 4.628 . 0 0 "[ . 1]" 1
758 1 60 ASN HA 1 61 VAL HA 4.680 . 4.680 4.381 4.290 4.462 . 0 0 "[ . 1]" 1
759 1 60 ASN HA 1 61 VAL MG1 3.980 . 3.980 3.681 3.602 3.826 . 0 0 "[ . 1]" 1
760 1 60 ASN HA 1 62 ILE MD 3.990 . 3.990 3.996 3.895 4.066 0.076 3 0 "[ . 1]" 1
761 1 60 ASN HA 1 89 MET ME 5.230 . 5.230 3.024 1.913 5.168 . 0 0 "[ . 1]" 1
762 1 60 ASN HB2 1 62 ILE MD 3.630 . 3.630 2.994 2.825 3.419 . 0 0 "[ . 1]" 1
763 1 60 ASN HB3 1 61 VAL H 5.040 . 5.040 3.829 3.628 4.118 . 0 0 "[ . 1]" 1
764 1 60 ASN HB3 1 62 ILE MD 3.650 . 3.650 2.010 1.901 2.106 . 0 0 "[ . 1]" 1
765 1 60 ASN HB3 1 62 ILE MG 4.660 . 4.660 4.840 4.787 4.952 0.292 7 0 "[ . 1]" 1
766 1 61 VAL H 1 61 VAL HB 4.120 . 4.120 2.930 2.591 3.684 . 0 0 "[ . 1]" 1
767 1 61 VAL H 1 61 VAL MG1 3.490 . 3.490 2.001 1.871 2.174 . 0 0 "[ . 1]" 1
768 1 61 VAL H 1 62 ILE H 5.500 . 5.500 4.375 4.259 4.448 . 0 0 "[ . 1]" 1
769 1 61 VAL H 1 62 ILE MD 5.310 . 5.310 4.137 3.937 4.355 . 0 0 "[ . 1]" 1
770 1 61 VAL H 1 86 GLN HA 5.500 . 5.500 4.619 3.968 5.017 . 0 0 "[ . 1]" 1
771 1 61 VAL H 1 86 GLN HG3 5.500 . 5.500 5.108 4.402 5.617 0.117 9 0 "[ . 1]" 1
772 1 61 VAL H 1 89 MET QG 4.860 . 4.860 4.552 3.534 5.134 0.274 3 0 "[ . 1]" 1
773 1 61 VAL HA 1 89 MET ME 3.950 . 3.950 3.812 3.427 4.137 0.187 1 0 "[ . 1]" 1
774 1 61 VAL HB 1 62 ILE MD 5.500 . 5.500 5.540 5.371 5.625 0.125 9 0 "[ . 1]" 1
775 1 61 VAL HB 1 86 GLN H 5.500 . 5.500 5.280 4.771 5.977 0.477 2 0 "[ . 1]" 1
776 1 61 VAL MG1 1 62 ILE H 4.180 . 4.180 4.157 4.096 4.202 0.022 4 0 "[ . 1]" 1
777 1 61 VAL MG1 1 85 PHE HA 4.940 . 4.940 4.427 3.940 4.689 . 0 0 "[ . 1]" 1
778 1 61 VAL MG1 1 85 PHE HB2 4.500 . 4.500 3.921 2.724 4.432 . 0 0 "[ . 1]" 1
779 1 61 VAL MG1 1 85 PHE HB3 3.820 . 3.820 2.741 2.128 3.989 0.169 2 0 "[ . 1]" 1
780 1 61 VAL MG1 1 85 PHE QD 4.040 . 4.040 2.203 1.933 2.938 . 0 0 "[ . 1]" 1
781 1 61 VAL MG1 1 86 GLN H 4.550 . 4.550 3.113 2.414 4.188 . 0 0 "[ . 1]" 1
782 1 61 VAL MG1 1 86 GLN HA 3.360 . 3.360 2.690 2.220 3.336 . 0 0 "[ . 1]" 1
783 1 61 VAL MG1 1 86 GLN HB3 5.500 . 5.500 4.269 3.626 5.535 0.035 1 0 "[ . 1]" 1
784 1 61 VAL MG1 1 89 MET HB2 5.210 . 5.210 4.054 3.114 4.899 . 0 0 "[ . 1]" 1
785 1 61 VAL MG1 1 89 MET ME 2.750 . 2.750 2.238 1.872 2.792 0.042 7 0 "[ . 1]" 1
786 1 61 VAL MG2 1 62 ILE H 3.740 . 3.740 3.179 2.731 3.987 0.247 1 0 "[ . 1]" 1
787 1 61 VAL MG2 1 63 GLU H 4.190 . 4.190 2.928 2.425 4.267 0.077 6 0 "[ . 1]" 1
788 1 61 VAL MG2 1 82 GLN HA 3.820 . 3.820 3.369 2.916 3.916 0.096 2 0 "[ . 1]" 1
789 1 61 VAL MG2 1 82 GLN HG2 3.590 . 3.590 3.512 2.809 4.101 0.511 2 1 "[ + . 1]" 1
790 1 61 VAL MG2 1 85 PHE HB2 3.860 . 3.860 3.532 2.423 3.985 0.125 1 0 "[ . 1]" 1
791 1 61 VAL MG2 1 85 PHE HB3 3.630 . 3.630 2.743 2.425 3.456 . 0 0 "[ . 1]" 1
792 1 61 VAL MG2 1 85 PHE QD 4.730 . 4.730 2.731 2.082 3.195 . 0 0 "[ . 1]" 1
793 1 61 VAL MG2 1 89 MET ME 5.500 . 5.500 3.903 3.362 4.520 . 0 0 "[ . 1]" 1
794 1 62 ILE H 1 62 ILE HB 3.730 . 3.730 2.643 2.586 2.701 . 0 0 "[ . 1]" 1
795 1 62 ILE H 1 62 ILE MD 3.650 . 3.650 3.089 2.973 3.199 . 0 0 "[ . 1]" 1
796 1 62 ILE H 1 62 ILE HG12 3.890 . 3.890 2.185 2.082 2.262 . 0 0 "[ . 1]" 1
797 1 62 ILE H 1 62 ILE HG13 4.040 . 4.040 3.696 3.623 3.764 . 0 0 "[ . 1]" 1
798 1 62 ILE H 1 62 ILE MG 3.770 . 3.770 3.793 3.777 3.831 0.061 2 0 "[ . 1]" 1
799 1 62 ILE H 1 63 GLU H 3.200 . 3.200 2.330 2.245 2.448 . 0 0 "[ . 1]" 1
800 1 62 ILE HA 1 62 ILE MD 3.210 . 3.210 2.135 2.041 2.206 . 0 0 "[ . 1]" 1
801 1 62 ILE HA 1 62 ILE HG12 4.240 . 4.240 3.228 3.194 3.276 . 0 0 "[ . 1]" 1
802 1 62 ILE HA 1 62 ILE MG 3.190 . 3.190 2.303 2.269 2.329 . 0 0 "[ . 1]" 1
803 1 62 ILE HA 1 63 GLU H 3.460 . 3.460 3.498 3.476 3.524 0.064 9 0 "[ . 1]" 1
804 1 62 ILE HB 1 62 ILE MD 3.470 . 3.470 3.234 3.221 3.241 . 0 0 "[ . 1]" 1
805 1 62 ILE HB 1 63 GLU H 3.630 . 3.630 3.035 2.768 3.154 . 0 0 "[ . 1]" 1
806 1 62 ILE MD 1 63 GLU H 4.500 . 4.500 4.566 4.537 4.638 0.138 2 0 "[ . 1]" 1
807 1 62 ILE HG12 1 62 ILE MG 3.600 . 3.600 3.184 3.175 3.187 . 0 0 "[ . 1]" 1
808 1 62 ILE HG12 1 63 GLU H 4.190 . 4.190 4.165 4.040 4.258 0.068 4 0 "[ . 1]" 1
809 1 63 GLU H 1 63 GLU HB2 4.200 . 4.200 3.506 3.058 4.144 . 0 0 "[ . 1]" 1
810 1 63 GLU H 1 63 GLU HB3 4.080 . 4.080 3.626 3.025 4.085 0.005 2 0 "[ . 1]" 1
811 1 63 GLU H 1 64 VAL H 4.810 . 4.810 4.330 4.290 4.413 . 0 0 "[ . 1]" 1
812 1 63 GLU H 1 64 VAL HA 4.900 . 4.900 4.705 4.668 4.796 . 0 0 "[ . 1]" 1
813 1 63 GLU HA 1 64 VAL H 2.970 . 2.970 2.368 2.262 2.444 . 0 0 "[ . 1]" 1
814 1 63 GLU HB2 1 64 VAL H 3.830 . 3.830 3.393 2.262 4.025 0.195 9 0 "[ . 1]" 1
815 1 63 GLU HB3 1 64 VAL H 3.740 . 3.740 3.199 2.403 3.832 0.092 9 0 "[ . 1]" 1
816 1 64 VAL H 1 64 VAL HB 3.820 . 3.820 3.929 3.879 3.971 0.151 4 0 "[ . 1]" 1
817 1 64 VAL H 1 64 VAL MG2 3.690 . 3.690 2.487 2.343 2.571 . 0 0 "[ . 1]" 1
818 1 64 VAL H 1 65 GLY H 4.470 . 4.470 4.369 4.325 4.405 . 0 0 "[ . 1]" 1
819 1 64 VAL H 1 65 GLY HA3 5.500 . 5.500 5.309 5.230 5.444 . 0 0 "[ . 1]" 1
820 1 64 VAL H 1 82 GLN H 5.020 . 5.020 5.358 5.245 5.463 0.443 9 0 "[ . 1]" 1
821 1 64 VAL H 1 82 GLN HB2 5.220 . 5.220 4.881 3.878 5.311 0.091 2 0 "[ . 1]" 1
822 1 64 VAL H 1 82 GLN HG3 5.500 . 5.500 3.274 2.926 3.776 . 0 0 "[ . 1]" 1
823 1 64 VAL HA 1 64 VAL MG1 3.580 . 3.580 2.454 2.413 2.489 . 0 0 "[ . 1]" 1
824 1 64 VAL HA 1 64 VAL MG2 3.670 . 3.670 3.203 3.193 3.215 . 0 0 "[ . 1]" 1
825 1 64 VAL HA 1 65 GLY H 3.600 . 3.600 2.311 2.239 2.371 . 0 0 "[ . 1]" 1
826 1 64 VAL HB 1 65 GLY H 5.060 . 5.060 2.634 2.487 3.003 . 0 0 "[ . 1]" 1
827 1 64 VAL HB 1 82 GLN H 5.500 . 5.500 5.457 5.319 5.575 0.075 2 0 "[ . 1]" 1
828 1 64 VAL MG1 1 81 LEU HA 5.410 . 5.410 4.897 4.416 5.421 0.011 8 0 "[ . 1]" 1
829 1 64 VAL MG2 1 65 GLY H 4.800 . 4.800 3.349 3.186 3.580 . 0 0 "[ . 1]" 1
830 1 64 VAL MG2 1 79 LYS H 5.500 . 5.500 4.376 4.191 4.543 . 0 0 "[ . 1]" 1
831 1 64 VAL MG2 1 80 TYR H 4.450 . 4.450 4.697 4.610 4.842 0.392 8 0 "[ . 1]" 1
832 1 64 VAL MG2 1 81 LEU H 5.250 . 5.250 3.628 3.416 3.790 . 0 0 "[ . 1]" 1
833 1 64 VAL MG2 1 81 LEU HB3 4.870 . 4.870 2.059 1.815 2.910 . 0 0 "[ . 1]" 1
834 1 64 VAL MG2 1 82 GLN H 3.360 . 3.360 2.833 2.699 2.927 . 0 0 "[ . 1]" 1
835 1 64 VAL MG2 1 82 GLN HA 3.720 . 3.720 3.531 2.930 3.754 0.034 2 0 "[ . 1]" 1
836 1 64 VAL MG2 1 82 GLN HG2 3.920 . 3.920 2.933 2.011 3.970 0.050 8 0 "[ . 1]" 1
837 1 64 VAL MG2 1 82 GLN HG3 3.970 . 3.970 2.917 1.906 3.868 . 0 0 "[ . 1]" 1
838 1 64 VAL MG2 1 83 HIS H 5.000 . 5.000 5.091 4.775 5.220 0.220 10 0 "[ . 1]" 1
839 1 65 GLY H 1 66 VAL H 4.430 . 4.430 4.395 4.355 4.472 0.042 9 0 "[ . 1]" 1
840 1 65 GLY H 1 78 THR HA 5.500 . 5.500 5.498 5.328 5.614 0.114 1 0 "[ . 1]" 1
841 1 65 GLY HA2 1 66 VAL H 3.460 . 3.460 2.321 2.244 2.392 . 0 0 "[ . 1]" 1
842 1 65 GLY HA2 1 78 THR MG 4.650 . 4.650 2.289 2.068 2.580 . 0 0 "[ . 1]" 1
843 1 65 GLY HA3 1 66 VAL H 3.540 . 3.540 2.859 2.786 3.002 . 0 0 "[ . 1]" 1
844 1 65 GLY HA3 1 66 VAL HB 4.610 . 4.610 4.863 4.826 4.906 0.296 4 0 "[ . 1]" 1
845 1 65 GLY HA3 1 78 THR MG 5.040 . 5.040 3.774 3.520 4.079 . 0 0 "[ . 1]" 1
846 1 66 VAL H 1 66 VAL HB 3.330 . 3.330 3.327 3.285 3.361 0.031 7 0 "[ . 1]" 1
847 1 66 VAL H 1 66 VAL MG1 3.240 . 3.240 2.493 2.402 2.563 . 0 0 "[ . 1]" 1
848 1 66 VAL H 1 78 THR MG 4.060 . 4.060 3.137 2.784 3.444 . 0 0 "[ . 1]" 1
849 1 66 VAL HA 1 66 VAL MG1 3.430 . 3.430 3.214 3.205 3.232 . 0 0 "[ . 1]" 1
850 1 66 VAL HA 1 66 VAL MG2 3.680 . 3.680 2.351 2.331 2.386 . 0 0 "[ . 1]" 1
851 1 66 VAL HA 1 67 CYS H 3.340 . 3.340 2.066 2.026 2.107 . 0 0 "[ . 1]" 1
852 1 66 VAL HA 1 67 CYS HB2 4.430 . 4.430 4.448 4.357 4.512 0.082 2 0 "[ . 1]" 1
853 1 66 VAL HB 1 67 CYS H 3.850 . 3.850 4.037 3.983 4.111 0.261 9 0 "[ . 1]" 1
854 1 66 VAL HB 1 78 THR MG 4.260 . 4.260 4.058 3.783 4.371 0.111 8 0 "[ . 1]" 1
855 1 66 VAL MG1 1 67 CYS H 3.850 . 3.850 3.871 3.727 3.961 0.111 9 0 "[ . 1]" 1
856 1 66 VAL MG1 1 76 TYR QD 4.350 . 4.350 3.675 2.655 4.287 . 0 0 "[ . 1]" 1
857 1 66 VAL MG1 1 76 TYR QE 4.180 . 4.180 3.261 1.989 4.417 0.237 8 0 "[ . 1]" 1
858 1 66 VAL MG1 1 77 ASP HA 4.600 . 4.600 4.135 3.077 4.639 0.039 10 0 "[ . 1]" 1
859 1 66 VAL MG1 1 78 THR HA 4.400 . 4.400 3.952 3.606 4.334 . 0 0 "[ . 1]" 1
860 1 66 VAL MG1 1 78 THR MG 3.390 . 3.390 2.531 2.200 2.814 . 0 0 "[ . 1]" 1
861 1 66 VAL MG2 1 67 CYS H 3.280 . 3.280 2.488 2.317 2.694 . 0 0 "[ . 1]" 1
862 1 66 VAL MG2 1 67 CYS HA 5.290 . 5.290 3.913 3.829 4.021 . 0 0 "[ . 1]" 1
863 1 66 VAL MG2 1 67 CYS HB2 4.460 . 4.460 4.026 3.689 4.303 . 0 0 "[ . 1]" 1
864 1 66 VAL MG2 1 67 CYS HB3 5.240 . 5.240 4.933 4.754 5.087 . 0 0 "[ . 1]" 1
865 1 67 CYS H 1 67 CYS HB2 3.440 . 3.440 2.424 2.349 2.489 . 0 0 "[ . 1]" 1
866 1 67 CYS H 1 67 CYS HB3 3.540 . 3.540 3.602 3.571 3.631 0.091 9 0 "[ . 1]" 1
867 1 67 CYS HB2 1 68 THR H 4.730 . 4.730 4.207 3.683 4.491 . 0 0 "[ . 1]" 1
868 1 67 CYS HB2 1 68 THR MG 5.470 . 5.470 4.848 3.431 5.518 0.048 8 0 "[ . 1]" 1
869 1 67 CYS HB3 1 68 THR H 4.330 . 4.330 3.400 2.554 3.869 . 0 0 "[ . 1]" 1
870 1 68 THR H 1 68 THR HB 3.960 . 3.960 3.649 2.967 4.055 0.095 10 0 "[ . 1]" 1
871 1 68 THR H 1 68 THR MG 3.640 . 3.640 3.062 2.271 3.893 0.253 3 0 "[ . 1]" 1
872 1 68 THR H 1 69 SER HA 5.500 . 5.500 4.870 3.762 5.406 . 0 0 "[ . 1]" 1
873 1 68 THR HA 1 68 THR MG 3.660 . 3.660 2.551 2.203 3.219 . 0 0 "[ . 1]" 1
874 1 68 THR MG 1 69 SER H 5.500 . 5.500 3.589 2.348 4.470 . 0 0 "[ . 1]" 1
875 1 69 SER HA 1 69 SER HB2 3.040 . 3.040 2.678 2.462 3.022 . 0 0 "[ . 1]" 1
876 1 69 SER HA 1 69 SER HB3 3.050 . 3.050 2.590 2.339 3.042 . 0 0 "[ . 1]" 1
877 1 70 LEU H 1 70 LEU MD1 3.950 . 3.950 2.711 1.780 3.984 0.034 4 0 "[ . 1]" 1
878 1 70 LEU H 1 70 LEU HG 4.620 . 4.620 3.890 2.545 4.818 0.198 4 0 "[ . 1]" 1
879 1 71 ALA MB 1 72 LYS H 3.640 . 3.640 2.629 2.386 3.076 . 0 0 "[ . 1]" 1
880 1 71 ALA MB 1 73 ARG H 4.670 . 4.670 4.314 3.937 4.682 0.012 5 0 "[ . 1]" 1
881 1 72 LYS H 1 72 LYS QD 4.930 . 4.930 3.441 1.947 4.485 . 0 0 "[ . 1]" 1
882 1 72 LYS H 1 72 LYS QG 3.870 . 3.870 2.804 1.904 3.977 0.107 2 0 "[ . 1]" 1
883 1 72 LYS H 1 73 ARG H 5.500 . 5.500 2.544 2.128 2.979 . 0 0 "[ . 1]" 1
884 1 72 LYS HA 1 72 LYS QG 3.880 . 3.880 2.968 2.379 3.490 . 0 0 "[ . 1]" 1
885 1 72 LYS HA 1 73 ARG H 3.590 . 3.590 3.206 2.740 3.561 . 0 0 "[ . 1]" 1
886 1 72 LYS HA 1 75 LEU MD1 4.070 . 4.070 2.402 1.914 3.254 . 0 0 "[ . 1]" 1
887 1 72 LYS QD 1 73 ARG H 3.940 . 3.940 3.898 1.764 4.763 0.823 3 1 "[ + . 1]" 1
888 1 72 LYS QG 1 73 ARG H 4.190 . 4.190 3.605 2.022 4.402 0.212 2 0 "[ . 1]" 1
889 1 73 ARG H 1 73 ARG HB2 3.680 . 3.680 2.702 2.164 3.712 0.032 1 0 "[ . 1]" 1
890 1 73 ARG H 1 74 ASP H 3.490 . 3.490 2.504 1.968 3.012 . 0 0 "[ . 1]" 1
891 1 73 ARG H 1 75 LEU MD1 5.500 . 5.500 4.480 3.598 5.496 . 0 0 "[ . 1]" 1
892 1 73 ARG HA 1 73 ARG HD2 4.030 . 4.030 3.485 2.057 4.408 0.378 8 0 "[ . 1]" 1
893 1 73 ARG HB2 1 74 ASP H 4.110 . 4.110 3.905 3.473 4.174 0.064 1 0 "[ . 1]" 1
894 1 73 ARG HD2 1 74 ASP H 5.500 . 5.500 4.437 2.919 5.576 0.076 3 0 "[ . 1]" 1
895 1 74 ASP H 1 74 ASP HB2 3.340 . 3.340 2.479 2.169 2.659 . 0 0 "[ . 1]" 1
896 1 74 ASP H 1 75 LEU H 4.090 . 4.090 2.519 2.268 2.756 . 0 0 "[ . 1]" 1
897 1 74 ASP H 1 75 LEU MD1 5.090 . 5.090 3.546 2.958 4.724 . 0 0 "[ . 1]" 1
898 1 74 ASP HA 1 74 ASP HB2 3.030 . 3.030 2.527 2.386 2.971 . 0 0 "[ . 1]" 1
899 1 74 ASP HA 1 74 ASP HB3 2.920 . 2.920 2.974 2.674 3.015 0.095 3 0 "[ . 1]" 1
900 1 74 ASP HA 1 75 LEU H 3.370 . 3.370 3.404 3.349 3.453 0.083 7 0 "[ . 1]" 1
901 1 74 ASP HB2 1 75 LEU H 4.010 . 4.010 3.988 3.360 4.176 0.166 8 0 "[ . 1]" 1
902 1 74 ASP HB3 1 75 LEU H 3.870 . 3.870 3.124 2.861 3.830 . 0 0 "[ . 1]" 1
903 1 74 ASP HB3 1 75 LEU MD1 4.460 . 4.460 2.861 2.042 4.687 0.227 10 0 "[ . 1]" 1
904 1 75 LEU H 1 75 LEU HB2 4.080 . 4.080 2.403 2.283 2.605 . 0 0 "[ . 1]" 1
905 1 75 LEU H 1 75 LEU HB3 4.090 . 4.090 3.613 3.545 3.743 . 0 0 "[ . 1]" 1
906 1 75 LEU H 1 75 LEU HG 3.960 . 3.960 3.549 2.274 3.918 . 0 0 "[ . 1]" 1
907 1 75 LEU H 1 76 TYR HB3 5.500 . 5.500 5.503 5.197 5.773 0.273 8 0 "[ . 1]" 1
908 1 75 LEU HA 1 75 LEU HG 3.990 . 3.990 2.590 2.451 3.105 . 0 0 "[ . 1]" 1
909 1 75 LEU HB2 1 76 TYR QD 5.140 . 5.140 2.787 2.327 3.242 . 0 0 "[ . 1]" 1
910 1 75 LEU HB3 1 76 TYR H 4.760 . 4.760 3.649 3.190 4.306 . 0 0 "[ . 1]" 1
911 1 75 LEU HB3 1 76 TYR QD 5.380 . 5.380 3.125 2.483 4.221 . 0 0 "[ . 1]" 1
912 1 75 LEU HB3 1 76 TYR QE 5.140 . 5.140 4.638 3.534 5.259 0.119 3 0 "[ . 1]" 1
913 1 75 LEU MD1 1 76 TYR H 4.840 . 4.840 4.067 3.548 4.346 . 0 0 "[ . 1]" 1
914 1 76 TYR H 1 76 TYR HB2 3.980 . 3.980 3.724 2.341 3.940 . 0 0 "[ . 1]" 1
915 1 76 TYR H 1 76 TYR QD 4.460 . 4.460 2.967 2.591 3.380 . 0 0 "[ . 1]" 1
916 1 76 TYR H 1 76 TYR QE 4.950 . 4.950 4.387 4.162 4.910 . 0 0 "[ . 1]" 1
917 1 76 TYR H 1 77 ASP H 4.800 . 4.800 4.347 4.265 4.404 . 0 0 "[ . 1]" 1
918 1 76 TYR HA 1 76 TYR QD 4.190 . 4.190 3.681 3.056 3.766 . 0 0 "[ . 1]" 1
919 1 76 TYR HA 1 77 ASP HB3 5.270 . 5.270 4.537 4.175 4.749 . 0 0 "[ . 1]" 1
920 1 76 TYR HB2 1 77 ASP H 5.500 . 5.500 2.877 2.162 4.462 . 0 0 "[ . 1]" 1
921 1 76 TYR HB2 1 81 LEU MD2 3.700 . 3.700 2.622 1.833 3.893 0.193 8 0 "[ . 1]" 1
922 1 76 TYR HB3 1 81 LEU H 5.500 . 5.500 5.560 5.310 5.706 0.206 4 0 "[ . 1]" 1
923 1 76 TYR QD 1 77 ASP H 5.440 . 5.440 3.901 3.179 4.617 . 0 0 "[ . 1]" 1
924 1 76 TYR QD 1 80 TYR HB3 4.000 . 6.000 4.960 4.111 6.032 0.032 8 0 "[ . 1]" 1
925 1 76 TYR QD 1 81 LEU H 5.500 . 5.500 4.763 3.882 5.534 0.034 8 0 "[ . 1]" 1
926 1 76 TYR QD 1 81 LEU MD2 4.760 . 4.760 2.620 2.036 3.683 . 0 0 "[ . 1]" 1
927 1 77 ASP H 1 78 THR H 5.400 . 5.400 4.393 4.248 4.469 . 0 0 "[ . 1]" 1
928 1 77 ASP H 1 78 THR MG 5.500 . 5.500 5.639 5.540 5.690 0.190 3 0 "[ . 1]" 1
929 1 77 ASP H 1 79 LYS H 5.500 . 5.500 5.349 5.031 5.644 0.144 8 0 "[ . 1]" 1
930 1 77 ASP H 1 80 TYR H 5.500 . 5.500 3.711 3.259 4.520 . 0 0 "[ . 1]" 1
931 1 77 ASP H 1 80 TYR HA 5.500 . 5.500 4.851 4.490 5.714 0.214 8 0 "[ . 1]" 1
932 1 77 ASP H 1 80 TYR QD 5.050 . 5.050 3.022 2.168 3.368 . 0 0 "[ . 1]" 1
933 1 77 ASP HA 1 78 THR H 3.360 . 3.360 2.484 2.226 2.738 . 0 0 "[ . 1]" 1
934 1 77 ASP HA 1 78 THR HA 4.400 . 4.400 4.276 4.234 4.321 . 0 0 "[ . 1]" 1
935 1 77 ASP HA 1 78 THR MG 4.130 . 4.130 3.740 3.644 3.894 . 0 0 "[ . 1]" 1
936 1 77 ASP HB2 1 78 THR H 4.550 . 4.550 3.771 3.556 4.164 . 0 0 "[ . 1]" 1
937 1 77 ASP HB3 1 78 THR H 4.950 . 4.950 3.387 2.688 3.968 . 0 0 "[ . 1]" 1
938 1 78 THR H 1 78 THR MG 3.490 . 3.490 2.161 2.035 2.298 . 0 0 "[ . 1]" 1
939 1 78 THR H 1 79 LYS H 3.850 . 3.850 2.868 2.774 2.987 . 0 0 "[ . 1]" 1
940 1 78 THR H 1 80 TYR H 4.720 . 4.720 3.914 3.747 4.053 . 0 0 "[ . 1]" 1
941 1 78 THR HA 1 78 THR MG 3.160 . 3.160 2.279 2.229 2.323 . 0 0 "[ . 1]" 1
942 1 78 THR HA 1 80 TYR H 5.500 . 5.500 4.168 3.950 4.364 . 0 0 "[ . 1]" 1
943 1 78 THR HA 1 81 LEU H 4.490 . 4.490 3.720 3.506 3.930 . 0 0 "[ . 1]" 1
944 1 78 THR MG 1 79 LYS H 5.080 . 5.080 3.875 3.809 4.049 . 0 0 "[ . 1]" 1
945 1 78 THR MG 1 81 LEU H 5.500 . 5.500 5.324 5.133 5.469 . 0 0 "[ . 1]" 1
946 1 79 LYS H 1 79 LYS HB2 3.640 . 3.640 3.597 3.567 3.625 . 0 0 "[ . 1]" 1
947 1 79 LYS H 1 79 LYS QD 3.730 . 3.730 3.595 3.093 3.825 0.095 4 0 "[ . 1]" 1
948 1 79 LYS H 1 79 LYS HG2 3.590 . 3.590 2.844 2.017 3.478 . 0 0 "[ . 1]" 1
949 1 79 LYS H 1 79 LYS HG3 3.580 . 3.580 2.593 1.774 3.661 0.081 5 0 "[ . 1]" 1
950 1 79 LYS H 1 80 TYR H 3.300 . 3.300 2.545 2.288 2.736 . 0 0 "[ . 1]" 1
951 1 79 LYS H 1 82 GLN H 4.940 . 4.940 4.707 4.600 4.826 . 0 0 "[ . 1]" 1
952 1 79 LYS H 1 82 GLN HB2 5.500 . 5.500 4.477 4.168 4.817 . 0 0 "[ . 1]" 1
953 1 79 LYS HB2 1 79 LYS HG2 3.050 . 3.050 2.731 2.531 2.973 . 0 0 "[ . 1]" 1
954 1 79 LYS HB2 1 79 LYS HG3 2.920 . 2.920 2.690 2.249 2.992 0.072 1 0 "[ . 1]" 1
955 1 79 LYS HB2 1 80 TYR H 3.670 . 3.670 3.804 3.678 3.998 0.328 4 0 "[ . 1]" 1
956 1 79 LYS QD 1 79 LYS QE 2.400 . 2.400 2.027 1.985 2.082 . 0 0 "[ . 1]" 1
957 1 79 LYS QD 1 79 LYS HG2 2.400 . 2.400 2.307 2.196 2.381 . 0 0 "[ . 1]" 1
958 1 79 LYS QD 1 79 LYS HG3 2.560 . 2.560 2.251 2.149 2.488 . 0 0 "[ . 1]" 1
959 1 79 LYS QD 1 80 TYR H 3.810 . 3.810 3.100 2.047 4.153 0.343 8 0 "[ . 1]" 1
960 1 79 LYS QE 1 79 LYS HG2 3.560 . 3.560 2.683 2.273 3.246 . 0 0 "[ . 1]" 1
961 1 79 LYS QE 1 79 LYS HG3 3.520 . 3.520 3.034 2.251 3.518 . 0 0 "[ . 1]" 1
962 1 79 LYS QE 1 80 TYR H 3.700 . 3.700 3.568 2.460 4.065 0.365 7 0 "[ . 1]" 1
963 1 79 LYS QE 1 82 GLN HB2 5.500 . 5.500 5.601 4.997 5.900 0.400 10 0 "[ . 1]" 1
964 1 79 LYS HG3 1 80 TYR H 4.090 . 4.090 2.820 2.570 3.075 . 0 0 "[ . 1]" 1
965 1 80 TYR H 1 80 TYR QD 4.980 . 4.980 3.865 2.173 4.246 . 0 0 "[ . 1]" 1
966 1 80 TYR H 1 81 LEU H 3.920 . 3.920 2.743 2.623 2.928 . 0 0 "[ . 1]" 1
967 1 80 TYR H 1 82 GLN H 4.290 . 4.290 3.757 3.583 3.867 . 0 0 "[ . 1]" 1
968 1 80 TYR H 1 82 GLN HB2 5.500 . 5.500 4.267 3.922 4.507 . 0 0 "[ . 1]" 1
969 1 80 TYR H 1 83 HIS H 5.090 . 5.090 4.642 4.550 4.715 . 0 0 "[ . 1]" 1
970 1 80 TYR H 1 83 HIS HB2 5.500 . 5.500 5.318 5.121 5.501 0.001 3 0 "[ . 1]" 1
971 1 80 TYR HA 1 80 TYR QD 3.590 . 3.590 2.723 2.446 3.101 . 0 0 "[ . 1]" 1
972 1 80 TYR HA 1 82 GLN H 4.050 . 4.050 4.270 4.210 4.321 0.271 3 0 "[ . 1]" 1
973 1 80 TYR HA 1 83 HIS H 4.870 . 4.870 3.367 3.245 3.449 . 0 0 "[ . 1]" 1
974 1 80 TYR HA 1 83 HIS HB2 4.550 . 4.550 2.951 2.845 3.059 . 0 0 "[ . 1]" 1
975 1 80 TYR HB2 1 81 LEU H 5.090 . 5.090 3.412 2.404 3.740 . 0 0 "[ . 1]" 1
976 1 80 TYR HB3 1 84 LEU MD2 5.500 . 5.500 3.696 2.690 4.260 . 0 0 "[ . 1]" 1
977 1 81 LEU H 1 81 LEU MD2 5.200 . 5.200 3.021 2.032 3.516 . 0 0 "[ . 1]" 1
978 1 81 LEU H 1 81 LEU HG 5.420 . 5.420 4.312 3.969 4.486 . 0 0 "[ . 1]" 1
979 1 81 LEU H 1 82 GLN H 3.730 . 3.730 2.647 2.609 2.750 . 0 0 "[ . 1]" 1
980 1 81 LEU H 1 82 GLN HB2 4.300 . 4.300 4.379 4.298 4.487 0.187 2 0 "[ . 1]" 1
981 1 81 LEU H 1 83 HIS H 4.660 . 4.660 4.160 4.055 4.266 . 0 0 "[ . 1]" 1
982 1 81 LEU H 1 84 LEU H 5.500 . 5.500 5.024 4.906 5.218 . 0 0 "[ . 1]" 1
983 1 81 LEU HA 1 81 LEU MD2 3.480 . 3.480 2.193 1.986 2.971 . 0 0 "[ . 1]" 1
984 1 81 LEU HA 1 83 HIS H 4.660 . 4.660 4.117 3.918 4.360 . 0 0 "[ . 1]" 1
985 1 81 LEU HA 1 84 LEU H 4.490 . 4.490 3.409 3.356 3.516 . 0 0 "[ . 1]" 1
986 1 81 LEU HA 1 84 LEU HG 3.810 . 3.810 2.151 2.035 2.299 . 0 0 "[ . 1]" 1
987 1 81 LEU HA 1 85 PHE H 4.120 . 4.120 3.799 3.640 4.025 . 0 0 "[ . 1]" 1
988 1 81 LEU HB2 1 82 GLN H 5.120 . 5.120 3.215 2.728 3.402 . 0 0 "[ . 1]" 1
989 1 81 LEU HB3 1 84 LEU HG 4.330 . 4.330 4.340 4.059 4.469 0.139 3 0 "[ . 1]" 1
990 1 82 GLN H 1 82 GLN HB2 3.620 . 3.620 2.097 1.989 2.222 . 0 0 "[ . 1]" 1
991 1 82 GLN H 1 82 GLN HB3 3.520 . 3.520 3.316 2.761 3.516 . 0 0 "[ . 1]" 1
992 1 82 GLN H 1 82 GLN HG2 3.660 . 3.660 3.511 2.948 4.253 0.593 8 1 "[ . + 1]" 1
993 1 82 GLN H 1 82 GLN HG3 3.880 . 3.880 3.509 2.518 4.103 0.223 5 0 "[ . 1]" 1
994 1 82 GLN H 1 83 HIS H 3.510 . 3.510 2.747 2.610 2.914 . 0 0 "[ . 1]" 1
995 1 82 GLN H 1 84 LEU H 4.390 . 4.390 4.478 4.434 4.535 0.145 8 0 "[ . 1]" 1
996 1 82 GLN H 1 84 LEU HG 4.500 . 4.500 4.668 4.631 4.692 0.192 2 0 "[ . 1]" 1
997 1 82 GLN H 1 85 PHE H 5.280 . 5.280 4.688 4.534 4.826 . 0 0 "[ . 1]" 1
998 1 82 GLN HA 1 82 GLN HG2 3.650 . 3.650 2.381 2.132 2.529 . 0 0 "[ . 1]" 1
999 1 82 GLN HA 1 82 GLN HG3 3.690 . 3.690 3.224 2.502 3.632 . 0 0 "[ . 1]" 1
1000 1 82 GLN HA 1 85 PHE H 4.620 . 4.620 3.747 3.469 4.012 . 0 0 "[ . 1]" 1
1001 1 82 GLN HB2 1 83 HIS H 4.400 . 4.400 2.973 2.558 3.574 . 0 0 "[ . 1]" 1
1002 1 82 GLN HB3 1 83 HIS H 4.010 . 4.010 3.072 2.522 3.489 . 0 0 "[ . 1]" 1
1003 1 83 HIS H 1 83 HIS HB2 3.450 . 3.450 2.288 2.108 2.590 . 0 0 "[ . 1]" 1
1004 1 83 HIS H 1 83 HIS HB3 3.590 . 3.590 3.299 2.737 3.670 0.080 3 0 "[ . 1]" 1
1005 1 83 HIS H 1 84 LEU H 3.500 . 3.500 2.720 2.376 2.974 . 0 0 "[ . 1]" 1
1006 1 83 HIS H 1 84 LEU MD2 3.580 . 3.580 3.703 3.610 3.936 0.356 3 0 "[ . 1]" 1
1007 1 83 HIS H 1 84 LEU HG 4.890 . 4.890 4.185 3.899 4.529 . 0 0 "[ . 1]" 1
1008 1 83 HIS H 1 85 PHE H 4.130 . 4.130 3.965 3.761 4.102 . 0 0 "[ . 1]" 1
1009 1 83 HIS H 1 85 PHE HB3 5.160 . 5.160 5.179 4.944 5.457 0.297 2 0 "[ . 1]" 1
1010 1 83 HIS H 1 86 GLN H 4.860 . 4.860 4.837 4.642 5.020 0.160 4 0 "[ . 1]" 1
1011 1 83 HIS HA 1 86 GLN H 5.500 . 5.500 3.869 3.534 4.346 . 0 0 "[ . 1]" 1
1012 1 83 HIS HB2 1 84 LEU H 4.030 . 4.030 2.886 2.316 3.515 . 0 0 "[ . 1]" 1
1013 1 83 HIS HB2 1 84 LEU MD2 3.670 . 3.670 3.438 3.102 3.881 0.211 4 0 "[ . 1]" 1
1014 1 83 HIS HB3 1 84 LEU H 4.110 . 4.110 2.885 2.157 3.292 . 0 0 "[ . 1]" 1
1015 1 84 LEU H 1 84 LEU MD2 4.480 . 4.480 2.019 1.905 2.237 . 0 0 "[ . 1]" 1
1016 1 84 LEU H 1 84 LEU HG 4.120 . 4.120 2.210 2.071 2.360 . 0 0 "[ . 1]" 1
1017 1 84 LEU H 1 85 PHE H 3.700 . 3.700 2.613 2.506 2.715 . 0 0 "[ . 1]" 1
1018 1 84 LEU H 1 86 GLN H 4.750 . 4.750 4.461 4.161 4.777 0.027 4 0 "[ . 1]" 1
1019 1 84 LEU H 1 87 GLU QB 5.500 . 5.500 5.288 4.763 5.812 0.312 3 0 "[ . 1]" 1
1020 1 84 LEU HA 1 84 LEU MD2 3.380 . 3.380 3.524 3.434 3.660 0.280 3 0 "[ . 1]" 1
1021 1 84 LEU HA 1 84 LEU HG 3.740 . 3.740 3.668 3.642 3.702 . 0 0 "[ . 1]" 1
1022 1 84 LEU HA 1 87 GLU H 4.940 . 4.940 3.224 3.016 3.490 . 0 0 "[ . 1]" 1
1023 1 84 LEU MD2 1 85 PHE H 3.760 . 3.760 3.760 3.703 3.916 0.156 2 0 "[ . 1]" 1
1024 1 84 LEU HG 1 85 PHE H 4.170 . 4.170 2.319 2.139 2.640 . 0 0 "[ . 1]" 1
1025 1 84 LEU HG 1 85 PHE HA 5.210 . 5.210 4.322 4.046 4.458 . 0 0 "[ . 1]" 1
1026 1 84 LEU HG 1 86 GLN H 5.500 . 5.500 5.131 4.873 5.423 . 0 0 "[ . 1]" 1
1027 1 85 PHE H 1 85 PHE HB3 4.150 . 4.150 2.778 2.539 2.913 . 0 0 "[ . 1]" 1
1028 1 85 PHE H 1 86 GLN H 3.690 . 3.690 2.898 2.804 3.000 . 0 0 "[ . 1]" 1
1029 1 85 PHE H 1 86 GLN HA 5.500 . 5.500 5.407 5.214 5.525 0.025 8 0 "[ . 1]" 1
1030 1 85 PHE H 1 87 GLU H 4.320 . 4.320 4.213 3.961 4.350 0.030 9 0 "[ . 1]" 1
1031 1 85 PHE H 1 87 GLU QG 5.500 . 5.500 4.626 4.085 5.552 0.052 2 0 "[ . 1]" 1
1032 1 85 PHE H 1 107 LEU MD1 5.500 . 5.500 4.936 4.333 5.322 . 0 0 "[ . 1]" 1
1033 1 85 PHE H 1 107 LEU MD2 4.000 . 6.500 5.986 5.013 6.596 0.096 2 0 "[ . 1]" 1
1034 1 85 PHE HA 1 107 LEU MD1 4.680 . 4.680 2.965 2.557 3.559 . 0 0 "[ . 1]" 1
1035 1 85 PHE HB2 1 86 GLN H 5.500 . 5.500 3.572 3.340 3.868 . 0 0 "[ . 1]" 1
1036 1 85 PHE HB2 1 88 VAL MG2 5.170 . 5.170 4.626 3.766 5.138 . 0 0 "[ . 1]" 1
1037 1 85 PHE HB2 1 103 PHE QE 4.000 . 6.000 5.351 3.209 6.145 0.145 4 0 "[ . 1]" 1
1038 1 85 PHE HB3 1 86 GLN H 4.680 . 4.680 2.438 2.118 3.882 . 0 0 "[ . 1]" 1
1039 1 85 PHE HB3 1 103 PHE QE 4.000 . 6.000 5.781 4.528 6.337 0.337 3 0 "[ . 1]" 1
1040 1 85 PHE QD 1 86 GLN H 5.500 . 5.500 3.412 1.529 4.059 0.271 2 0 "[ . 1]" 1
1041 1 85 PHE QD 1 88 VAL MG2 4.910 . 4.910 4.188 3.675 4.885 . 0 0 "[ . 1]" 1
1042 1 85 PHE QD 1 107 LEU MD1 4.000 . 6.000 3.470 2.467 5.225 . 0 0 "[ . 1]" 1
1043 1 85 PHE QD 1 107 LEU MD2 4.000 . 6.000 3.342 2.166 5.414 . 0 0 "[ . 1]" 1
1044 1 86 GLN H 1 87 GLU H 3.060 . 3.060 2.923 2.695 3.127 0.067 5 0 "[ . 1]" 1
1045 1 86 GLN H 1 87 GLU QB 5.500 . 5.500 4.987 4.636 5.361 . 0 0 "[ . 1]" 1
1046 1 86 GLN H 1 88 VAL H 4.520 . 4.520 4.313 4.071 4.544 0.024 4 0 "[ . 1]" 1
1047 1 86 GLN H 1 88 VAL MG2 4.940 . 4.940 4.744 4.263 5.125 0.185 5 0 "[ . 1]" 1
1048 1 86 GLN H 1 89 MET H 5.070 . 5.070 4.767 4.589 4.970 . 0 0 "[ . 1]" 1
1049 1 86 GLN HA 1 88 VAL H 5.500 . 5.500 4.413 4.083 4.781 . 0 0 "[ . 1]" 1
1050 1 86 GLN HA 1 89 MET H 5.450 . 5.450 3.509 3.188 3.986 . 0 0 "[ . 1]" 1
1051 1 86 GLN HB3 1 87 GLU H 3.510 . 3.510 2.762 2.273 3.518 0.008 7 0 "[ . 1]" 1
1052 1 87 GLU H 1 87 GLU QB 3.500 . 3.500 2.404 2.290 2.596 . 0 0 "[ . 1]" 1
1053 1 87 GLU H 1 87 GLU QG 3.250 . 3.250 2.380 2.023 2.643 . 0 0 "[ . 1]" 1
1054 1 87 GLU H 1 88 VAL H 3.160 . 3.160 2.712 2.489 2.875 . 0 0 "[ . 1]" 1
1055 1 87 GLU H 1 88 VAL MG2 4.950 . 4.950 4.210 3.940 4.502 . 0 0 "[ . 1]" 1
1056 1 87 GLU QB 1 88 VAL H 3.120 . 3.120 3.229 2.562 3.547 0.427 1 0 "[ . 1]" 1
1057 1 88 VAL H 1 88 VAL HB 4.140 . 4.140 3.218 2.420 3.742 . 0 0 "[ . 1]" 1
1058 1 88 VAL H 1 88 VAL MG2 3.720 . 3.720 2.244 2.073 2.381 . 0 0 "[ . 1]" 1
1059 1 88 VAL H 1 90 ASP QB 5.500 . 5.500 4.800 4.482 5.173 . 0 0 "[ . 1]" 1
1060 1 88 VAL H 1 107 LEU MD1 5.500 . 5.500 4.932 4.538 5.328 . 0 0 "[ . 1]" 1
1061 1 88 VAL HA 1 90 ASP H 5.500 . 5.500 4.536 4.106 4.955 . 0 0 "[ . 1]" 1
1062 1 88 VAL MG2 1 89 MET H 4.070 . 4.070 3.024 1.905 3.962 . 0 0 "[ . 1]" 1
1063 1 88 VAL MG2 1 90 ASP H 5.150 . 5.150 4.925 4.225 5.484 0.334 5 0 "[ . 1]" 1
1064 1 88 VAL MG2 1 91 SER H 5.500 . 5.500 4.946 4.741 5.349 . 0 0 "[ . 1]" 1
1065 1 88 VAL MG2 1 92 VAL H 5.500 . 5.500 5.727 5.497 6.065 0.565 6 2 "[ -+ 1]" 1
1066 1 88 VAL MG2 1 106 GLU QG 4.210 . 4.210 3.649 2.674 4.354 0.144 4 0 "[ . 1]" 1
1067 1 88 VAL MG2 1 107 LEU H 5.160 . 5.160 4.092 3.786 4.484 . 0 0 "[ . 1]" 1
1068 1 88 VAL MG2 1 107 LEU HA 3.830 . 3.830 3.949 3.730 4.198 0.368 6 0 "[ . 1]" 1
1069 1 88 VAL MG2 1 107 LEU MD1 3.010 . 3.010 2.059 1.863 2.259 . 0 0 "[ . 1]" 1
1070 1 89 MET H 1 89 MET ME 5.500 . 5.500 4.213 3.659 4.721 . 0 0 "[ . 1]" 1
1071 1 89 MET H 1 89 MET QG 4.260 . 4.260 3.206 1.899 3.977 . 0 0 "[ . 1]" 1
1072 1 89 MET H 1 90 ASP H 3.750 . 3.750 2.652 2.530 2.798 . 0 0 "[ . 1]" 1
1073 1 89 MET H 1 90 ASP QB 5.500 . 5.500 4.313 4.049 4.530 . 0 0 "[ . 1]" 1
1074 1 89 MET H 1 91 SER H 4.200 . 4.200 3.993 3.625 4.291 0.091 7 0 "[ . 1]" 1
1075 1 89 MET H 1 107 LEU MD1 5.500 . 5.500 4.996 4.635 5.400 . 0 0 "[ . 1]" 1
1076 1 89 MET HA 1 89 MET ME 5.390 . 5.390 4.043 3.569 4.400 . 0 0 "[ . 1]" 1
1077 1 89 MET HA 1 92 VAL QG . . 3.550 2.045 1.641 2.419 0.159 7 0 "[ . 1]" 1
1078 1 89 MET HB2 1 90 ASP H 5.280 . 5.280 3.377 2.415 3.902 . 0 0 "[ . 1]" 1
1079 1 89 MET ME 1 89 MET QG 3.460 . 3.460 2.363 2.186 2.531 . 0 0 "[ . 1]" 1
1080 1 89 MET ME 1 90 ASP H 5.500 . 5.500 4.506 3.103 5.799 0.299 6 0 "[ . 1]" 1
1081 1 89 MET ME 1 92 VAL QG 4.980 . 4.980 4.002 2.961 4.649 . 0 0 "[ . 1]" 1
1082 1 89 MET QG 1 90 ASP H 4.690 . 4.690 3.398 1.980 3.907 . 0 0 "[ . 1]" 1
1083 1 89 MET QG 1 92 VAL QG 4.990 . 4.990 3.031 2.266 4.206 . 0 0 "[ . 1]" 1
1084 1 90 ASP H 1 90 ASP QB 3.920 . 3.920 2.307 2.241 2.453 . 0 0 "[ . 1]" 1
1085 1 90 ASP H 1 91 SER H 3.460 . 3.460 2.915 2.650 3.093 . 0 0 "[ . 1]" 1
1086 1 90 ASP H 1 92 VAL H 5.180 . 5.180 4.269 4.095 4.405 . 0 0 "[ . 1]" 1
1087 1 90 ASP H 1 93 PHE H 5.500 . 5.500 5.715 5.448 6.004 0.504 10 1 "[ . +]" 1
1088 1 90 ASP HA 1 93 PHE H 4.860 . 4.860 4.090 3.711 4.699 . 0 0 "[ . 1]" 1
1089 1 90 ASP HA 1 93 PHE HB3 5.130 . 5.130 3.971 2.407 5.206 0.076 9 0 "[ . 1]" 1
1090 1 90 ASP QB 1 91 SER H 4.200 . 4.200 2.856 2.623 3.108 . 0 0 "[ . 1]" 1
1091 1 91 SER H 1 91 SER HB3 4.150 . 4.150 2.927 2.498 3.602 . 0 0 "[ . 1]" 1
1092 1 91 SER H 1 92 VAL H 3.540 . 3.540 2.543 2.143 2.748 . 0 0 "[ . 1]" 1
1093 1 91 SER H 1 92 VAL QG 5.500 . 5.500 3.548 3.186 3.885 . 0 0 "[ . 1]" 1
1094 1 91 SER HA 1 94 HIS H 5.500 . 5.500 4.546 4.098 5.238 . 0 0 "[ . 1]" 1
1095 1 91 SER HB2 1 92 VAL QG 5.310 . 5.310 4.040 2.750 4.635 . 0 0 "[ . 1]" 1
1096 1 92 VAL H 1 92 VAL QG . . 2.950 2.007 1.823 2.075 . 0 0 "[ . 1]" 1
1097 1 92 VAL H 1 103 PHE QB 5.390 . 5.390 4.657 4.000 5.443 0.053 9 0 "[ . 1]" 1
1098 1 92 VAL HA 1 94 HIS H 5.500 . 5.500 3.686 3.113 4.698 . 0 0 "[ . 1]" 1
1099 1 92 VAL HB 1 99 CYS HA 5.140 . 5.140 2.910 1.810 4.255 . 0 0 "[ . 1]" 1
1100 1 92 VAL HB 1 103 PHE H 5.500 . 5.500 4.298 3.746 5.017 . 0 0 "[ . 1]" 1
1101 1 92 VAL QG 1 93 PHE H 4.400 . 4.400 3.203 2.622 3.640 . 0 0 "[ . 1]" 1
1102 1 92 VAL QG 1 93 PHE HA 4.190 . 4.190 3.587 2.998 4.022 . 0 0 "[ . 1]" 1
1103 1 92 VAL QG 1 99 CYS H 5.330 . 5.330 4.032 3.467 4.411 . 0 0 "[ . 1]" 1
1104 1 92 VAL QG 1 99 CYS HA . . 4.230 1.992 1.791 2.300 0.009 5 0 "[ . 1]" 1
1105 1 92 VAL QG 1 99 CYS HB3 5.140 . 5.140 3.257 2.797 3.675 . 0 0 "[ . 1]" 1
1106 1 92 VAL QG 1 101 PHE QD 4.000 . 6.000 5.786 4.757 6.191 0.191 7 0 "[ . 1]" 1
1107 1 92 VAL QG 1 102 ASP H 5.120 . 5.120 3.766 2.648 4.433 . 0 0 "[ . 1]" 1
1108 1 92 VAL QG 1 102 ASP HB3 4.640 . 4.640 2.714 1.760 4.484 0.040 10 0 "[ . 1]" 1
1109 1 92 VAL QG 1 103 PHE H 3.830 . 3.830 2.767 2.179 3.312 . 0 0 "[ . 1]" 1
1110 1 92 VAL QG 1 103 PHE HA 3.220 . 3.220 2.505 2.069 3.104 . 0 0 "[ . 1]" 1
1111 1 92 VAL QG 1 103 PHE QB 5.500 . 5.500 1.951 1.738 2.273 0.062 3 0 "[ . 1]" 1
1112 1 92 VAL QG 1 103 PHE QD 3.660 . 3.660 3.182 2.406 3.429 . 0 0 "[ . 1]" 1
1113 1 93 PHE H 1 93 PHE HB2 3.690 . 3.690 2.912 2.219 3.776 0.086 7 0 "[ . 1]" 1
1114 1 93 PHE H 1 93 PHE HB3 3.890 . 3.890 2.764 2.382 3.362 . 0 0 "[ . 1]" 1
1115 1 93 PHE H 1 94 HIS H 4.690 . 4.690 2.558 1.676 3.467 0.124 6 0 "[ . 1]" 1
1116 1 93 PHE H 1 94 HIS QB 5.500 . 5.500 4.998 4.620 5.622 0.122 5 0 "[ . 1]" 1
1117 1 93 PHE HA 1 94 HIS HD2 4.010 . 4.010 4.222 4.065 4.351 0.341 10 0 "[ . 1]" 1
1118 1 93 PHE HB2 1 94 HIS HD2 4.330 . 4.330 3.363 2.494 3.958 . 0 0 "[ . 1]" 1
1119 1 94 HIS H 1 94 HIS QB 3.890 . 3.890 2.728 2.416 3.221 . 0 0 "[ . 1]" 1
1120 1 94 HIS H 1 94 HIS HD2 4.680 . 4.680 2.819 2.081 3.977 . 0 0 "[ . 1]" 1
1121 1 94 HIS H 1 95 ARG H 4.110 . 4.110 3.775 3.475 4.104 . 0 0 "[ . 1]" 1
1122 1 94 HIS HA 1 95 ARG H 3.270 . 3.270 2.288 2.171 2.443 . 0 0 "[ . 1]" 1
1123 1 94 HIS HA 1 95 ARG HA 4.490 . 4.490 4.363 4.317 4.424 . 0 0 "[ . 1]" 1
1124 1 94 HIS HA 1 95 ARG QD 4.920 . 4.920 4.745 4.613 4.936 0.016 10 0 "[ . 1]" 1
1125 1 94 HIS QB 1 95 ARG H 4.010 . 4.010 3.782 3.645 3.945 . 0 0 "[ . 1]" 1
1126 1 95 ARG H 1 95 ARG HB2 4.110 . 4.110 2.915 2.559 3.573 . 0 0 "[ . 1]" 1
1127 1 95 ARG H 1 95 ARG HB3 3.940 . 3.940 3.635 3.014 3.921 . 0 0 "[ . 1]" 1
1128 1 95 ARG H 1 95 ARG QD 3.610 . 3.610 3.785 3.233 3.933 0.323 6 0 "[ . 1]" 1
1129 1 95 ARG H 1 96 GLY H 4.430 . 4.430 4.115 3.937 4.245 . 0 0 "[ . 1]" 1
1130 1 95 ARG H 1 96 GLY HA2 5.500 . 5.500 4.712 4.057 5.369 . 0 0 "[ . 1]" 1
1131 1 95 ARG HA 1 96 GLY H 3.600 . 3.600 2.652 2.283 2.932 . 0 0 "[ . 1]" 1
1132 1 95 ARG HA 1 97 SER H 4.540 . 4.540 4.163 3.911 4.519 . 0 0 "[ . 1]" 1
1133 1 95 ARG HB2 1 95 ARG QD 2.680 . 2.680 2.832 2.199 3.211 0.531 3 4 "[- + . * *]" 1
1134 1 95 ARG HB2 1 96 GLY H 4.270 . 4.270 3.308 2.512 4.663 0.393 5 0 "[ . 1]" 1
1135 1 95 ARG HB2 1 96 GLY HA3 4.720 . 4.720 5.122 4.583 5.531 0.811 2 3 "[ + -. *1]" 1
1136 1 95 ARG HB3 1 95 ARG QD 3.670 . 3.670 2.803 2.144 3.396 . 0 0 "[ . 1]" 1
1137 1 95 ARG HB3 1 97 SER H 4.560 . 4.560 2.815 1.722 4.278 0.078 2 0 "[ . 1]" 1
1138 1 95 ARG QD 1 96 GLY H 4.100 . 4.100 3.656 2.507 4.377 0.277 5 0 "[ . 1]" 1
1139 1 96 GLY H 1 97 SER H 3.030 . 3.030 2.367 1.772 3.398 0.368 5 0 "[ . 1]" 1
1140 1 96 GLY H 1 97 SER HA 5.500 . 5.500 4.751 4.434 5.120 . 0 0 "[ . 1]" 1
1141 1 96 GLY H 1 97 SER HB3 4.910 . 4.910 4.698 3.691 5.382 0.472 5 0 "[ . 1]" 1
1142 1 97 SER H 1 97 SER HB3 3.470 . 3.470 3.035 2.659 3.526 0.056 9 0 "[ . 1]" 1
1143 1 97 SER HA 1 98 VAL H 3.170 . 3.170 2.718 2.314 2.974 . 0 0 "[ . 1]" 1
1144 1 97 SER HA 1 98 VAL HA 4.880 . 4.880 4.357 4.253 4.429 . 0 0 "[ . 1]" 1
1145 1 97 SER HA 1 98 VAL MG2 3.890 . 3.890 3.685 3.337 3.909 0.019 5 0 "[ . 1]" 1
1146 1 97 SER HB2 1 98 VAL H 3.390 . 3.390 2.393 1.731 3.511 0.121 8 0 "[ . 1]" 1
1147 1 97 SER HB3 1 98 VAL H 3.740 . 3.740 3.392 2.603 3.891 0.151 1 0 "[ . 1]" 1
1148 1 98 VAL H 1 98 VAL MG1 3.530 . 3.530 3.299 2.995 3.633 0.103 3 0 "[ . 1]" 1
1149 1 98 VAL H 1 98 VAL MG2 2.980 . 2.980 1.788 1.733 2.071 0.067 4 0 "[ . 1]" 1
1150 1 98 VAL H 1 99 CYS H 4.930 . 4.930 2.573 2.401 2.721 . 0 0 "[ . 1]" 1
1151 1 98 VAL H 1 100 LEU H 5.500 . 5.500 4.825 4.180 5.130 . 0 0 "[ . 1]" 1
1152 1 98 VAL H 1 100 LEU MD2 3.350 . 3.350 3.488 3.371 3.638 0.288 1 0 "[ . 1]" 1
1153 1 98 VAL H 1 101 PHE H 4.770 . 4.770 4.697 4.403 4.925 0.155 7 0 "[ . 1]" 1
1154 1 98 VAL H 1 101 PHE HB2 5.500 . 5.500 4.891 4.642 5.329 . 0 0 "[ . 1]" 1
1155 1 98 VAL HA 1 98 VAL MG1 3.680 . 3.680 2.134 2.113 2.159 . 0 0 "[ . 1]" 1
1156 1 98 VAL HA 1 98 VAL MG2 3.740 . 3.740 3.024 2.794 3.111 . 0 0 "[ . 1]" 1
1157 1 98 VAL HA 1 99 CYS HA 4.880 . 4.880 4.821 4.778 4.927 0.047 3 0 "[ . 1]" 1
1158 1 98 VAL HA 1 100 LEU H 5.500 . 5.500 5.472 5.210 5.607 0.107 1 0 "[ . 1]" 1
1159 1 98 VAL HB 1 99 CYS H 4.550 . 4.550 3.092 2.781 3.356 . 0 0 "[ . 1]" 1
1160 1 98 VAL HB 1 100 LEU H 4.800 . 4.800 3.660 3.206 4.056 . 0 0 "[ . 1]" 1
1161 1 98 VAL HB 1 100 LEU MD2 4.360 . 4.360 2.845 2.277 3.080 . 0 0 "[ . 1]" 1
1162 1 98 VAL MG1 1 99 CYS H 4.830 . 4.830 4.193 4.059 4.278 . 0 0 "[ . 1]" 1
1163 1 98 VAL MG1 1 100 LEU H 5.380 . 5.380 5.055 4.474 5.385 0.005 1 0 "[ . 1]" 1
1164 1 98 VAL MG2 1 99 CYS H 3.790 . 3.790 2.473 2.118 3.174 . 0 0 "[ . 1]" 1
1165 1 98 VAL MG2 1 99 CYS HB2 5.330 . 5.330 5.283 4.805 5.581 0.251 2 0 "[ . 1]" 1
1166 1 98 VAL MG2 1 99 CYS HB3 5.090 . 5.090 4.647 4.061 4.990 . 0 0 "[ . 1]" 1
1167 1 98 VAL MG2 1 100 LEU H 4.310 . 4.310 3.445 2.820 4.252 . 0 0 "[ . 1]" 1
1168 1 99 CYS H 1 100 LEU H 3.440 . 3.440 2.641 1.925 2.887 . 0 0 "[ . 1]" 1
1169 1 99 CYS H 1 100 LEU HA 5.500 . 5.500 4.916 4.577 5.050 . 0 0 "[ . 1]" 1
1170 1 99 CYS H 1 100 LEU HB3 5.290 . 5.290 5.000 4.597 5.193 . 0 0 "[ . 1]" 1
1171 1 99 CYS H 1 100 LEU MD2 4.250 . 4.250 2.449 2.234 2.828 . 0 0 "[ . 1]" 1
1172 1 99 CYS H 1 102 ASP H 5.500 . 5.500 3.871 3.658 4.317 . 0 0 "[ . 1]" 1
1173 1 99 CYS HA 1 101 PHE H 5.380 . 5.380 4.633 4.348 5.030 . 0 0 "[ . 1]" 1
1174 1 99 CYS HA 1 102 ASP H 4.440 . 4.440 4.090 3.764 4.536 0.096 10 0 "[ . 1]" 1
1175 1 100 LEU H 1 100 LEU HB2 3.980 . 3.980 3.630 3.579 3.753 . 0 0 "[ . 1]" 1
1176 1 100 LEU H 1 100 LEU HB3 3.940 . 3.940 2.535 2.394 2.808 . 0 0 "[ . 1]" 1
1177 1 100 LEU H 1 100 LEU MD1 4.830 . 4.830 3.906 3.783 3.996 . 0 0 "[ . 1]" 1
1178 1 100 LEU H 1 100 LEU MD2 4.150 . 4.150 1.782 1.649 2.041 0.151 10 0 "[ . 1]" 1
1179 1 100 LEU H 1 101 PHE H 3.830 . 3.830 2.999 2.596 3.225 . 0 0 "[ . 1]" 1
1180 1 100 LEU H 1 102 ASP H 4.390 . 4.390 4.512 4.335 4.638 0.248 1 0 "[ . 1]" 1
1181 1 100 LEU H 1 103 PHE H 5.320 . 5.320 4.893 4.623 5.112 . 0 0 "[ . 1]" 1
1182 1 100 LEU HA 1 100 LEU MD2 3.470 . 3.470 3.534 3.518 3.562 0.092 8 0 "[ . 1]" 1
1183 1 100 LEU HA 1 103 PHE QB 4.190 . 4.190 3.647 2.425 4.260 0.070 10 0 "[ . 1]" 1
1184 1 100 LEU HA 1 103 PHE QD 4.320 . 4.320 2.387 1.986 3.084 . 0 0 "[ . 1]" 1
1185 1 100 LEU HB2 1 100 LEU MD1 3.440 . 3.440 2.279 2.261 2.317 . 0 0 "[ . 1]" 1
1186 1 100 LEU HB2 1 101 PHE H 4.330 . 4.330 3.703 3.311 3.894 . 0 0 "[ . 1]" 1
1187 1 100 LEU HB2 1 103 PHE QD 4.670 . 4.670 4.380 4.133 4.637 . 0 0 "[ . 1]" 1
1188 1 100 LEU HB3 1 100 LEU MD2 3.410 . 3.410 2.291 2.248 2.359 . 0 0 "[ . 1]" 1
1189 1 100 LEU HB3 1 101 PHE H 4.320 . 4.320 3.970 3.782 4.094 . 0 0 "[ . 1]" 1
1190 1 100 LEU HB3 1 103 PHE QD 4.830 . 4.830 4.624 4.286 5.018 0.188 8 0 "[ . 1]" 1
1191 1 100 LEU MD1 1 101 PHE H 4.360 . 4.360 3.842 3.486 4.095 . 0 0 "[ . 1]" 1
1192 1 100 LEU MD2 1 101 PHE HA 4.680 . 4.680 4.571 4.278 4.679 . 0 0 "[ . 1]" 1
1193 1 100 LEU MD2 1 101 PHE HB2 4.130 . 4.130 4.145 3.606 4.269 0.139 2 0 "[ . 1]" 1
1194 1 100 LEU MD2 1 101 PHE QD 4.820 . 4.820 2.755 2.531 2.920 . 0 0 "[ . 1]" 1
1195 1 101 PHE H 1 101 PHE HB2 3.390 . 3.390 2.592 2.500 2.778 . 0 0 "[ . 1]" 1
1196 1 101 PHE H 1 101 PHE HB3 3.410 . 3.410 3.564 3.536 3.590 0.180 6 0 "[ . 1]" 1
1197 1 101 PHE H 1 101 PHE QD 5.030 . 5.030 2.538 2.104 2.867 . 0 0 "[ . 1]" 1
1198 1 101 PHE H 1 102 ASP H 3.350 . 3.350 2.570 2.419 2.819 . 0 0 "[ . 1]" 1
1199 1 101 PHE H 1 103 PHE H 4.040 . 4.040 4.021 3.780 4.195 0.155 4 0 "[ . 1]" 1
1200 1 101 PHE HA 1 101 PHE QD 3.690 . 3.690 2.732 2.494 2.948 . 0 0 "[ . 1]" 1
1201 1 101 PHE HA 1 104 LEU QB 4.310 . 4.310 4.316 4.002 4.441 0.131 9 0 "[ . 1]" 1
1202 1 101 PHE HA 1 104 LEU MD1 3.970 . 3.970 3.545 3.069 3.991 0.021 10 0 "[ . 1]" 1
1203 1 101 PHE HA 1 104 LEU MD2 3.450 . 3.450 2.336 2.151 2.445 . 0 0 "[ . 1]" 1
1204 1 101 PHE HB2 1 102 ASP H 3.710 . 3.710 2.558 2.328 2.757 . 0 0 "[ . 1]" 1
1205 1 101 PHE HB3 1 102 ASP H 3.730 . 3.730 3.753 3.649 3.870 0.140 5 0 "[ . 1]" 1
1206 1 101 PHE HB3 1 104 LEU MD2 4.800 . 4.800 3.977 3.653 4.319 . 0 0 "[ . 1]" 1
1207 1 101 PHE QD 1 104 LEU MD2 4.940 . 4.940 3.489 2.539 3.842 . 0 0 "[ . 1]" 1
1208 1 102 ASP H 1 102 ASP HB2 3.440 . 3.440 2.600 2.097 3.522 0.082 9 0 "[ . 1]" 1
1209 1 102 ASP H 1 102 ASP HB3 3.110 . 3.110 2.821 2.519 3.519 0.409 2 0 "[ . 1]" 1
1210 1 102 ASP H 1 103 PHE H 3.310 . 3.310 2.420 2.326 2.557 . 0 0 "[ . 1]" 1
1211 1 102 ASP HB3 1 103 PHE H 4.900 . 4.900 3.188 2.560 4.085 . 0 0 "[ . 1]" 1
1212 1 103 PHE H 1 103 PHE QD 4.820 . 4.820 3.084 2.483 4.153 . 0 0 "[ . 1]" 1
1213 1 103 PHE H 1 104 LEU MD1 5.470 . 5.470 5.132 4.975 5.342 . 0 0 "[ . 1]" 1
1214 1 103 PHE H 1 104 LEU HG 4.610 . 4.610 4.027 3.854 4.258 . 0 0 "[ . 1]" 1
1215 1 103 PHE H 1 106 GLU H 5.500 . 5.500 5.356 4.762 5.626 0.126 3 0 "[ . 1]" 1
1216 1 103 PHE HA 1 103 PHE QE 4.000 . 6.000 5.272 4.600 5.577 . 0 0 "[ . 1]" 1
1217 1 103 PHE HA 1 104 LEU HG 5.500 . 5.500 5.437 5.277 5.536 0.036 2 0 "[ . 1]" 1
1218 1 103 PHE QB 1 104 LEU H 4.300 . 4.300 3.399 2.679 3.776 . 0 0 "[ . 1]" 1
1219 1 103 PHE QD 1 104 LEU HA 4.840 . 4.840 3.923 3.602 4.138 . 0 0 "[ . 1]" 1
1220 1 103 PHE QE 1 104 LEU MD2 4.000 . 6.000 4.658 3.967 6.022 0.022 8 0 "[ . 1]" 1
1221 1 103 PHE QE 1 107 LEU HB2 4.000 . 6.000 4.567 4.162 5.196 . 0 0 "[ . 1]" 1
1222 1 103 PHE QE 1 107 LEU MD1 4.000 . 6.000 2.918 2.558 3.502 . 0 0 "[ . 1]" 1
1223 1 103 PHE QE 1 107 LEU MD2 4.000 . 6.000 2.627 2.182 3.694 . 0 0 "[ . 1]" 1
1224 1 103 PHE QE 1 107 LEU HG 4.000 . 6.000 4.986 4.430 5.657 . 0 0 "[ . 1]" 1
1225 1 104 LEU H 1 104 LEU MD1 3.230 . 3.230 3.297 3.246 3.386 0.156 9 0 "[ . 1]" 1
1226 1 104 LEU H 1 104 LEU MD2 5.150 . 5.150 3.449 3.328 3.564 . 0 0 "[ . 1]" 1
1227 1 104 LEU H 1 104 LEU HG 4.550 . 4.550 2.075 1.983 2.157 . 0 0 "[ . 1]" 1
1228 1 104 LEU H 1 105 THR H 3.870 . 3.870 2.406 2.259 2.698 . 0 0 "[ . 1]" 1
1229 1 104 LEU H 1 105 THR HB 5.350 . 5.350 4.971 4.202 5.714 0.364 8 0 "[ . 1]" 1
1230 1 104 LEU H 1 105 THR MG 4.590 . 4.590 4.490 3.814 5.435 0.845 9 2 "[- . +1]" 1
1231 1 104 LEU H 1 106 GLU H 4.490 . 4.490 4.389 4.202 4.580 0.090 3 0 "[ . 1]" 1
1232 1 104 LEU HA 1 104 LEU MD1 3.440 . 3.440 3.593 3.567 3.613 0.173 5 0 "[ . 1]" 1
1233 1 104 LEU HA 1 104 LEU HG 3.970 . 3.970 3.744 3.697 3.786 . 0 0 "[ . 1]" 1
1234 1 104 LEU HA 1 106 GLU H 5.250 . 5.250 4.514 4.242 4.866 . 0 0 "[ . 1]" 1
1235 1 104 LEU HA 1 107 LEU H 4.770 . 4.770 3.282 2.968 3.453 . 0 0 "[ . 1]" 1
1236 1 104 LEU HA 1 107 LEU HB2 4.260 . 4.260 2.399 1.986 2.703 . 0 0 "[ . 1]" 1
1237 1 104 LEU HA 1 107 LEU HB3 4.210 . 4.210 3.638 2.789 4.156 . 0 0 "[ . 1]" 1
1238 1 104 LEU HA 1 107 LEU MD1 5.500 . 5.500 3.522 3.383 3.678 . 0 0 "[ . 1]" 1
1239 1 104 LEU HA 1 107 LEU MD2 4.310 . 4.310 3.301 2.625 3.842 . 0 0 "[ . 1]" 1
1240 1 104 LEU MD1 1 105 THR H 5.050 . 5.050 2.352 2.010 2.651 . 0 0 "[ . 1]" 1
1241 1 104 LEU MD1 1 105 THR HB 5.110 . 5.110 3.485 2.665 4.371 . 0 0 "[ . 1]" 1
1242 1 104 LEU MD1 1 106 GLU H 5.310 . 5.310 4.564 4.408 4.737 . 0 0 "[ . 1]" 1
1243 1 104 LEU MD1 1 107 LEU H 5.500 . 5.500 5.023 4.627 5.150 . 0 0 "[ . 1]" 1
1244 1 104 LEU MD1 1 108 ASP H 5.020 . 5.020 4.400 4.238 4.554 . 0 0 "[ . 1]" 1
1245 1 104 LEU HG 1 105 THR H 5.500 . 5.500 2.876 2.600 3.155 . 0 0 "[ . 1]" 1
1246 1 105 THR H 1 105 THR HB 3.440 . 3.440 2.781 2.267 3.441 0.001 8 0 "[ . 1]" 1
1247 1 105 THR H 1 105 THR MG 3.540 . 3.540 2.776 2.080 3.629 0.089 9 0 "[ . 1]" 1
1248 1 105 THR H 1 106 GLU H 3.630 . 3.630 2.756 2.649 2.811 . 0 0 "[ . 1]" 1
1249 1 105 THR H 1 107 LEU H 5.040 . 5.040 4.024 3.647 4.332 . 0 0 "[ . 1]" 1
1250 1 105 THR H 1 107 LEU MD1 5.500 . 5.500 5.428 5.191 5.768 0.268 9 0 "[ . 1]" 1
1251 1 105 THR HA 1 105 THR MG 3.260 . 3.260 2.722 2.093 3.239 . 0 0 "[ . 1]" 1
1252 1 105 THR HA 1 108 ASP H 4.230 . 4.230 3.317 3.001 3.710 . 0 0 "[ . 1]" 1
1253 1 105 THR HB 1 106 GLU H 3.710 . 3.710 3.245 2.183 3.915 0.205 5 0 "[ . 1]" 1
1254 1 105 THR MG 1 106 GLU H 3.890 . 3.890 2.841 1.866 4.133 0.243 6 0 "[ . 1]" 1
1255 1 106 GLU H 1 106 GLU HB2 3.630 . 3.630 2.585 2.495 2.751 . 0 0 "[ . 1]" 1
1256 1 106 GLU H 1 107 LEU H 3.730 . 3.730 2.786 2.537 3.141 . 0 0 "[ . 1]" 1
1257 1 106 GLU H 1 107 LEU MD1 5.500 . 5.500 4.618 4.205 5.012 . 0 0 "[ . 1]" 1
1258 1 106 GLU H 1 108 ASP H 4.650 . 4.650 4.062 3.799 4.319 . 0 0 "[ . 1]" 1
1259 1 106 GLU HA 1 110 VAL H 5.500 . 5.500 4.044 3.784 4.327 . 0 0 "[ . 1]" 1
1260 1 106 GLU HB2 1 107 LEU H 4.780 . 4.780 2.455 2.274 2.891 . 0 0 "[ . 1]" 1
1261 1 106 GLU HB2 1 107 LEU MD2 5.400 . 5.400 5.364 5.109 5.618 0.218 4 0 "[ . 1]" 1
1262 1 107 LEU H 1 107 LEU MD1 5.190 . 5.190 2.696 2.390 3.244 . 0 0 "[ . 1]" 1
1263 1 107 LEU H 1 107 LEU HG 5.500 . 5.500 4.146 3.970 4.432 . 0 0 "[ . 1]" 1
1264 1 107 LEU H 1 108 ASP H 3.880 . 3.880 2.624 2.418 2.794 . 0 0 "[ . 1]" 1
1265 1 107 LEU H 1 110 VAL MG1 4.130 . 4.130 3.891 3.682 4.141 0.011 4 0 "[ . 1]" 1
1266 1 107 LEU HA 1 107 LEU MD1 3.380 . 3.380 2.369 2.063 2.586 . 0 0 "[ . 1]" 1
1267 1 107 LEU HA 1 110 VAL H 4.780 . 4.780 3.523 3.322 3.830 . 0 0 "[ . 1]" 1
1268 1 107 LEU HA 1 110 VAL HB 4.030 . 4.030 4.053 3.056 4.228 0.198 6 0 "[ . 1]" 1
1269 1 107 LEU HA 1 110 VAL MG1 4.030 . 4.030 1.831 1.765 1.921 0.035 1 0 "[ . 1]" 1
1270 1 107 LEU HA 1 111 LEU MD1 5.500 . 5.500 4.744 3.765 5.364 . 0 0 "[ . 1]" 1
1271 1 107 LEU HB2 1 108 ASP H 4.830 . 4.830 3.120 2.902 3.331 . 0 0 "[ . 1]" 1
1272 1 107 LEU HB2 1 111 LEU H 5.500 . 5.500 5.618 5.498 5.738 0.238 9 0 "[ . 1]" 1
1273 1 107 LEU HB3 1 108 ASP HB3 5.500 . 5.500 5.452 5.034 5.709 0.209 2 0 "[ . 1]" 1
1274 1 107 LEU MD1 1 108 ASP H 5.500 . 5.500 4.445 4.271 4.648 . 0 0 "[ . 1]" 1
1275 1 107 LEU MD1 1 110 VAL HB 5.240 . 5.240 5.029 3.832 5.279 0.039 3 0 "[ . 1]" 1
1276 1 107 LEU MD1 1 110 VAL MG1 3.910 . 3.910 2.969 2.130 3.286 . 0 0 "[ . 1]" 1
1277 1 107 LEU MD1 1 111 LEU H 5.500 . 5.500 5.171 4.803 5.543 0.043 5 0 "[ . 1]" 1
1278 1 107 LEU MD2 1 111 LEU H 5.500 . 5.500 5.548 5.504 5.648 0.148 5 0 "[ . 1]" 1
1279 1 107 LEU MD2 1 111 LEU MD2 4.660 . 4.660 3.512 2.850 4.701 0.041 1 0 "[ . 1]" 1
1280 1 108 ASP H 1 108 ASP HB2 3.720 . 3.720 2.602 2.344 2.786 . 0 0 "[ . 1]" 1
1281 1 108 ASP H 1 108 ASP HB3 3.640 . 3.640 2.547 2.298 3.575 . 0 0 "[ . 1]" 1
1282 1 108 ASP H 1 109 GLY H 3.510 . 3.510 2.603 2.392 2.773 . 0 0 "[ . 1]" 1
1283 1 108 ASP H 1 110 VAL H 4.220 . 4.220 4.220 4.120 4.274 0.054 1 0 "[ . 1]" 1
1284 1 108 ASP HB2 1 109 GLY H 4.030 . 4.030 3.846 2.823 4.145 0.115 3 0 "[ . 1]" 1
1285 1 108 ASP HB3 1 109 GLY H 4.150 . 4.150 2.775 2.384 3.584 . 0 0 "[ . 1]" 1
1286 1 109 GLY H 1 110 VAL H 3.790 . 3.790 2.558 2.433 2.714 . 0 0 "[ . 1]" 1
1287 1 109 GLY H 1 110 VAL HA 5.500 . 5.500 5.154 5.018 5.309 . 0 0 "[ . 1]" 1
1288 1 109 GLY H 1 111 LEU H 4.540 . 4.540 4.012 3.748 4.194 . 0 0 "[ . 1]" 1
1289 1 110 VAL H 1 110 VAL MG1 4.290 . 4.290 2.352 2.108 2.849 . 0 0 "[ . 1]" 1
1290 1 110 VAL H 1 111 LEU H 3.760 . 3.760 2.733 2.504 2.900 . 0 0 "[ . 1]" 1
1291 1 110 VAL HA 1 110 VAL MG2 3.130 . 3.130 2.275 2.196 2.326 . 0 0 "[ . 1]" 1
1292 1 110 VAL MG1 1 111 LEU H 3.810 . 3.810 2.341 2.171 2.462 . 0 0 "[ . 1]" 1
1293 1 110 VAL MG2 1 111 LEU H 4.770 . 4.770 3.966 3.847 4.132 . 0 0 "[ . 1]" 1
1294 1 111 LEU H 1 111 LEU MD2 4.570 . 4.570 3.825 2.671 4.369 . 0 0 "[ . 1]" 1
1295 1 111 LEU H 1 112 TYR H 4.190 . 4.190 2.587 2.259 2.970 . 0 0 "[ . 1]" 1
1296 1 111 LEU HA 1 111 LEU MD1 3.820 . 3.820 2.703 1.979 3.864 0.044 4 0 "[ . 1]" 1
1297 1 111 LEU HA 1 111 LEU MD2 4.610 . 4.610 3.061 1.958 3.897 . 0 0 "[ . 1]" 1
1298 1 112 TYR H 1 112 TYR HB3 4.070 . 4.070 3.696 2.777 4.081 0.011 3 0 "[ . 1]" 1
1299 1 116 GLU H 1 116 GLU HB3 3.070 . 3.070 2.836 2.479 3.229 0.159 6 0 "[ . 1]" 1
1300 1 116 GLU HA 1 116 GLU QG 3.050 . 3.050 2.834 2.220 3.376 0.326 3 0 "[ . 1]" 1
1301 1 116 GLU HA 1 117 GLU H 2.960 . 2.960 2.338 2.044 2.815 . 0 0 "[ . 1]" 1
1302 1 116 GLU HA 1 117 GLU HB2 4.090 . 4.090 4.167 3.821 4.333 0.243 8 0 "[ . 1]" 1
1303 1 116 GLU HB3 1 116 GLU QG 2.780 . 2.780 2.308 2.124 2.444 . 0 0 "[ . 1]" 1
1304 1 116 GLU QG 1 117 GLU H 3.050 . 3.050 2.968 2.083 3.440 0.390 3 0 "[ . 1]" 1
1305 1 117 GLU H 1 117 GLU HB2 3.080 . 3.080 2.965 2.386 3.328 0.248 3 0 "[ . 1]" 1
1306 1 117 GLU H 1 118 GLU HB3 3.960 . 3.960 4.014 3.550 4.471 0.511 9 1 "[ . +1]" 1
1307 1 117 GLU HA 1 117 GLU HB2 2.900 . 2.900 2.655 2.502 2.985 0.085 1 0 "[ . 1]" 1
1308 1 117 GLU HA 1 117 GLU QG 3.010 . 3.010 2.432 2.289 2.982 . 0 0 "[ . 1]" 1
1309 1 117 GLU HB2 1 117 GLU QG 2.400 . 2.400 2.276 2.153 2.381 . 0 0 "[ . 1]" 1
1310 1 118 GLU HA 1 118 GLU HB2 2.830 . 2.830 2.457 2.390 2.510 . 0 0 "[ . 1]" 1
1311 1 118 GLU HA 1 119 THR H 2.990 . 2.990 2.357 2.130 3.059 0.069 2 0 "[ . 1]" 1
1312 1 118 GLU HA 1 119 THR MG 4.280 . 4.280 3.898 3.536 4.418 0.138 2 0 "[ . 1]" 1
1313 1 119 THR H 1 119 THR HB 3.700 . 3.700 3.645 3.400 3.773 0.073 2 0 "[ . 1]" 1
1314 1 119 THR H 1 119 THR MG 3.430 . 3.430 2.919 2.148 3.419 . 0 0 "[ . 1]" 1
1315 1 119 THR H 1 120 GLU H 4.850 . 4.850 4.433 4.348 4.581 . 0 0 "[ . 1]" 1
1316 1 119 THR HA 1 119 THR MG 3.060 . 3.060 2.350 2.202 3.171 0.111 5 0 "[ . 1]" 1
1317 1 119 THR HA 1 120 GLU H 2.740 . 2.740 2.331 2.159 2.661 . 0 0 "[ . 1]" 1
1318 1 119 THR HB 1 120 GLU H 3.110 . 3.110 2.723 1.882 3.547 0.437 5 0 "[ . 1]" 1
1319 1 119 THR MG 1 120 GLU H 3.890 . 3.890 3.537 3.240 3.850 . 0 0 "[ . 1]" 1
1320 1 120 GLU H 1 121 PRO HD2 4.380 . 4.380 4.558 4.435 4.657 0.277 9 0 "[ . 1]" 1
1321 1 120 GLU H 1 121 PRO HD3 5.440 . 5.440 4.145 3.484 5.190 . 0 0 "[ . 1]" 1
1322 1 121 PRO HA 1 122 VAL H 2.810 . 2.810 2.568 2.446 2.693 . 0 0 "[ . 1]" 1
1323 1 121 PRO HA 1 122 VAL QG 3.890 . 3.890 3.460 3.291 3.655 . 0 0 "[ . 1]" 1
1324 1 121 PRO HB2 1 122 VAL H 3.820 . 3.820 2.204 1.926 2.416 . 0 0 "[ . 1]" 1
1325 1 121 PRO HB2 1 122 VAL QG 3.770 . 3.770 3.767 3.218 3.947 0.177 5 0 "[ . 1]" 1
1326 1 121 PRO HB3 1 122 VAL H 3.740 . 3.740 3.247 2.683 3.491 . 0 0 "[ . 1]" 1
1327 1 121 PRO QG 1 122 VAL H 3.890 . 3.890 3.834 3.500 4.074 0.184 9 0 "[ . 1]" 1
1328 1 122 VAL H 1 122 VAL HB 3.330 . 3.330 2.985 2.582 3.597 0.267 8 0 "[ . 1]" 1
1329 1 122 VAL H 1 122 VAL QG 3.000 . 3.000 2.023 1.783 2.276 0.017 9 0 "[ . 1]" 1
1330 1 125 SER H 1 125 SER HB3 3.410 . 3.410 3.044 2.649 3.716 0.306 9 0 "[ . 1]" 1
1331 1 125 SER HA 1 126 ASP H 3.200 . 3.200 2.202 2.105 2.588 . 0 0 "[ . 1]" 1
1332 1 125 SER HA 1 126 ASP HB3 5.500 . 5.500 5.236 4.488 5.649 0.149 6 0 "[ . 1]" 1
1333 1 125 SER HA 1 127 ILE H 5.500 . 5.500 4.365 3.775 5.555 0.055 4 0 "[ . 1]" 1
1334 1 125 SER HB3 1 127 ILE H 5.500 . 5.500 4.878 3.801 5.620 0.120 4 0 "[ . 1]" 1
1335 1 126 ASP H 1 127 ILE HB 5.500 . 5.500 4.258 3.585 4.756 . 0 0 "[ . 1]" 1
1336 1 126 ASP H 1 127 ILE MD 5.500 . 5.500 4.110 3.394 4.578 . 0 0 "[ . 1]" 1
1337 1 126 ASP H 1 127 ILE MG 5.500 . 5.500 5.371 4.913 5.571 0.071 5 0 "[ . 1]" 1
1338 1 126 ASP HA 1 127 ILE H 3.470 . 3.470 3.242 2.101 3.646 0.176 6 0 "[ . 1]" 1
1339 1 126 ASP HB2 1 127 ILE H 5.500 . 5.500 3.428 2.309 4.521 . 0 0 "[ . 1]" 1
1340 1 126 ASP HB2 1 127 ILE MD 5.500 . 5.500 4.223 2.373 5.656 0.156 7 0 "[ . 1]" 1
1341 1 126 ASP HB3 1 127 ILE H 5.370 . 5.370 3.569 2.633 4.611 . 0 0 "[ . 1]" 1
1342 1 126 ASP HB3 1 127 ILE MD 4.870 . 4.870 4.477 3.050 5.225 0.355 10 0 "[ . 1]" 1
1343 1 127 ILE H 1 127 ILE HB 3.910 . 3.910 2.646 2.219 3.112 . 0 0 "[ . 1]" 1
1344 1 127 ILE H 1 127 ILE MD 5.170 . 5.170 3.007 1.710 4.185 0.090 6 0 "[ . 1]" 1
1345 1 127 ILE H 1 127 ILE QG 4.210 . 4.210 2.468 1.667 3.323 0.133 2 0 "[ . 1]" 1
1346 1 127 ILE H 1 128 PRO HD3 5.100 . 5.100 4.241 3.548 4.746 . 0 0 "[ . 1]" 1
1347 1 127 ILE H 1 235 ILE MD 4.000 . 6.000 5.740 5.013 6.443 0.443 8 0 "[ . 1]" 1
1348 1 127 ILE HA 1 127 ILE MD 3.960 . 3.960 2.854 2.087 3.862 . 0 0 "[ . 1]" 1
1349 1 127 ILE HB 1 128 PRO HD3 5.120 . 5.120 5.015 4.678 5.199 0.079 9 0 "[ . 1]" 1
1350 1 127 ILE MD 1 127 ILE MG 3.760 . 3.760 2.186 1.801 3.154 . 0 0 "[ . 1]" 1
1351 1 127 ILE MD 1 129 THR MG 4.750 . 4.750 4.876 4.575 5.052 0.302 9 0 "[ . 1]" 1
1352 1 127 ILE MD 1 140 PRO QG 4.980 . 4.980 4.190 3.559 5.171 0.191 9 0 "[ . 1]" 1
1353 1 127 ILE MD 1 141 ILE H 5.500 . 5.500 4.685 3.601 5.602 0.102 1 0 "[ . 1]" 1
1354 1 127 ILE MD 1 147 THR HB 4.550 . 4.550 4.053 3.628 4.682 0.132 7 0 "[ . 1]" 1
1355 1 127 ILE MD 1 147 THR MG 3.840 . 3.840 2.109 1.779 2.697 0.021 2 0 "[ . 1]" 1
1356 1 127 ILE QG 1 147 THR MG 3.500 . 3.500 2.694 1.833 3.607 0.107 2 0 "[ . 1]" 1
1357 1 127 ILE QG 1 235 ILE MD 4.190 . 4.190 3.726 3.114 4.274 0.084 2 0 "[ . 1]" 1
1358 1 127 ILE MG 1 128 PRO HA 4.430 . 4.430 4.369 4.174 4.476 0.046 5 0 "[ . 1]" 1
1359 1 127 ILE MG 1 128 PRO HD2 4.940 . 4.940 2.754 2.488 3.199 . 0 0 "[ . 1]" 1
1360 1 127 ILE MG 1 128 PRO HG2 5.390 . 5.390 4.240 3.653 5.076 . 0 0 "[ . 1]" 1
1361 1 127 ILE MG 1 128 PRO HG3 4.920 . 4.920 4.977 4.661 5.314 0.394 8 0 "[ . 1]" 1
1362 1 127 ILE MG 1 129 THR HA 5.500 . 5.500 4.454 4.135 4.711 . 0 0 "[ . 1]" 1
1363 1 127 ILE MG 1 129 THR MG 3.650 . 3.650 2.417 2.090 2.916 . 0 0 "[ . 1]" 1
1364 1 127 ILE MG 1 140 PRO HA 4.150 . 4.150 4.148 3.899 4.308 0.158 2 0 "[ . 1]" 1
1365 1 127 ILE MG 1 140 PRO QG 3.660 . 3.660 2.220 1.921 2.467 . 0 0 "[ . 1]" 1
1366 1 127 ILE MG 1 147 THR MG 3.840 . 3.840 3.610 2.700 3.941 0.101 4 0 "[ . 1]" 1
1367 1 127 ILE MG 1 235 ILE MD 5.500 . 5.500 4.945 4.318 5.500 . 2 0 "[ . 1]" 1
1368 1 127 ILE MG 1 239 ARG H 4.000 . 6.500 6.923 6.788 7.114 0.614 7 3 "[- . + *1]" 1
1369 1 127 ILE MG 1 240 PHE H 4.000 . 6.500 6.643 6.293 6.847 0.347 9 0 "[ . 1]" 1
1370 1 128 PRO HA 1 129 THR H 3.280 . 3.280 2.115 2.020 2.168 . 0 0 "[ . 1]" 1
1371 1 128 PRO HA 1 129 THR MG 4.650 . 4.650 3.994 3.752 4.270 . 0 0 "[ . 1]" 1
1372 1 128 PRO HA 1 130 ASP H 3.940 . 3.940 3.400 3.273 3.579 . 0 0 "[ . 1]" 1
1373 1 128 PRO HB2 1 151 PHE HE1 4.420 . 4.420 4.246 3.750 4.566 0.146 5 0 "[ . 1]" 1
1374 1 128 PRO HD2 1 151 PHE HE1 4.730 . 4.730 4.576 4.089 4.844 0.114 3 0 "[ . 1]" 1
1375 1 128 PRO HD3 1 151 PHE HE1 4.820 . 4.820 4.279 3.948 4.561 . 0 0 "[ . 1]" 1
1376 1 128 PRO HG2 1 129 THR H 5.500 . 5.500 5.157 4.827 5.638 0.138 4 0 "[ . 1]" 1
1377 1 128 PRO HG2 1 151 PHE HE1 4.420 . 4.420 3.133 2.688 3.480 . 0 0 "[ . 1]" 1
1378 1 128 PRO HG2 1 174 MET ME 5.230 . 5.230 5.441 5.317 5.530 0.300 3 0 "[ . 1]" 1
1379 1 128 PRO HG3 1 151 PHE HD1 4.230 . 4.230 4.535 4.411 4.700 0.470 10 0 "[ . 1]" 1
1380 1 128 PRO HG3 1 151 PHE HE1 4.230 . 4.230 2.329 2.204 2.430 . 0 0 "[ . 1]" 1
1381 1 128 PRO HG3 1 174 MET ME 5.310 . 5.310 4.251 3.894 4.693 . 0 0 "[ . 1]" 1
1382 1 129 THR H 1 129 THR HB 4.020 . 4.020 3.755 3.628 3.817 . 0 0 "[ . 1]" 1
1383 1 129 THR H 1 129 THR MG 3.320 . 3.320 3.171 2.951 3.342 0.022 8 0 "[ . 1]" 1
1384 1 129 THR H 1 130 ASP H 3.150 . 3.150 1.820 1.648 2.041 0.152 4 0 "[ . 1]" 1
1385 1 129 THR H 1 130 ASP HA 5.280 . 5.280 4.442 4.340 4.585 . 0 0 "[ . 1]" 1
1386 1 129 THR H 1 130 ASP HB2 5.500 . 5.500 5.198 5.043 5.405 . 0 0 "[ . 1]" 1
1387 1 129 THR HA 1 129 THR MG 2.990 . 2.990 2.279 2.195 2.361 . 0 0 "[ . 1]" 1
1388 1 129 THR HA 1 130 ASP H 3.430 . 3.430 3.284 3.143 3.455 0.025 4 0 "[ . 1]" 1
1389 1 129 THR HB 1 130 ASP H 4.150 . 4.150 4.147 3.875 4.222 0.072 10 0 "[ . 1]" 1
1390 1 129 THR MG 1 130 ASP HA 5.500 . 5.500 5.505 5.421 5.562 0.062 5 0 "[ . 1]" 1
1391 1 130 ASP H 1 130 ASP HB2 3.480 . 3.480 3.623 3.525 3.711 0.231 7 0 "[ . 1]" 1
1392 1 130 ASP H 1 130 ASP HB3 3.750 . 3.750 2.952 2.741 3.114 . 0 0 "[ . 1]" 1
1393 1 130 ASP H 1 131 PRO HD2 5.050 . 5.050 4.987 4.851 5.167 0.117 9 0 "[ . 1]" 1
1394 1 130 ASP HA 1 131 PRO HD2 3.190 . 3.190 2.518 2.361 2.644 . 0 0 "[ . 1]" 1
1395 1 130 ASP HA 1 131 PRO HD3 3.220 . 3.220 2.144 1.873 2.358 . 0 0 "[ . 1]" 1
1396 1 130 ASP HB2 1 131 PRO HD2 4.310 . 4.310 2.450 1.944 2.812 . 0 0 "[ . 1]" 1
1397 1 130 ASP HB2 1 131 PRO HD3 3.790 . 3.790 3.594 3.283 3.793 0.003 3 0 "[ . 1]" 1
1398 1 130 ASP HB3 1 131 PRO HD2 4.370 . 4.370 3.607 3.363 4.009 . 0 0 "[ . 1]" 1
1399 1 131 PRO HA 1 132 PHE H 3.230 . 3.230 2.299 2.233 2.405 . 0 0 "[ . 1]" 1
1400 1 131 PRO HA 1 132 PHE HB2 4.960 . 4.960 4.141 4.036 4.264 . 0 0 "[ . 1]" 1
1401 1 131 PRO HA 1 132 PHE QD 4.590 . 4.590 3.289 2.982 3.731 . 0 0 "[ . 1]" 1
1402 1 131 PRO HB2 1 132 PHE H 3.980 . 3.980 2.663 2.353 3.348 . 0 0 "[ . 1]" 1
1403 1 131 PRO HB3 1 132 PHE H 3.630 . 3.630 3.194 2.798 3.431 . 0 0 "[ . 1]" 1
1404 1 131 PRO HD3 1 132 PHE H 5.430 . 5.430 5.498 5.397 5.659 0.229 7 0 "[ . 1]" 1
1405 1 131 PRO HG3 1 132 PHE H 4.510 . 4.510 4.786 4.608 4.892 0.382 2 0 "[ . 1]" 1
1406 1 132 PHE H 1 132 PHE QD 4.790 . 4.790 3.275 2.954 3.503 . 0 0 "[ . 1]" 1
1407 1 132 PHE H 1 133 GLU H 4.520 . 4.520 4.435 4.396 4.471 . 0 0 "[ . 1]" 1
1408 1 132 PHE H 1 135 TRP H 5.000 . 5.000 4.610 4.349 5.033 0.033 1 0 "[ . 1]" 1
1409 1 132 PHE H 1 135 TRP HB2 4.400 . 4.400 4.313 4.037 4.628 0.228 1 0 "[ . 1]" 1
1410 1 132 PHE H 1 136 THR HA 5.500 . 5.500 3.837 3.030 4.258 . 0 0 "[ . 1]" 1
1411 1 132 PHE H 1 137 ALA H 4.770 . 4.770 3.982 3.443 4.427 . 0 0 "[ . 1]" 1
1412 1 132 PHE H 1 137 ALA MB 5.500 . 5.500 4.716 4.219 5.063 . 0 0 "[ . 1]" 1
1413 1 132 PHE HB2 1 136 THR HA 4.470 . 4.470 4.209 3.752 4.519 0.049 10 0 "[ . 1]" 1
1414 1 132 PHE HB2 1 168 LEU MD1 5.500 . 5.500 4.825 4.269 5.265 . 0 0 "[ . 1]" 1
1415 1 132 PHE HB3 1 135 TRP H 3.840 . 3.840 3.781 3.518 3.921 0.081 7 0 "[ . 1]" 1
1416 1 132 PHE HB3 1 136 THR H 5.500 . 5.500 5.646 5.548 5.738 0.238 4 0 "[ . 1]" 1
1417 1 132 PHE QD 1 133 GLU H 4.760 . 4.760 3.372 3.077 3.727 . 0 0 "[ . 1]" 1
1418 1 132 PHE QD 1 168 LEU MD1 3.710 . 3.710 3.689 3.098 3.860 0.150 3 0 "[ . 1]" 1
1419 1 133 GLU H 1 133 GLU QG 3.050 . 3.050 2.578 2.430 2.998 . 0 0 "[ . 1]" 1
1420 1 133 GLU H 1 135 TRP H 5.230 . 5.230 4.014 3.708 4.212 . 0 0 "[ . 1]" 1
1421 1 133 GLU H 1 135 TRP HB2 4.570 . 4.570 3.496 3.314 3.723 . 0 0 "[ . 1]" 1
1422 1 133 GLU HA 1 133 GLU HB2 2.890 . 2.890 2.306 2.236 2.327 . 0 0 "[ . 1]" 1
1423 1 133 GLU HA 1 133 GLU QG 3.120 . 3.120 3.226 3.157 3.245 0.125 3 0 "[ . 1]" 1
1424 1 133 GLU HA 1 134 GLY H 3.040 . 3.040 2.191 1.919 2.301 . 0 0 "[ . 1]" 1
1425 1 133 GLU HA 1 135 TRP H 3.680 . 3.680 3.302 3.209 3.591 . 0 0 "[ . 1]" 1
1426 1 133 GLU HB2 1 134 GLY H 4.090 . 4.090 3.208 3.059 3.474 . 0 0 "[ . 1]" 1
1427 1 133 GLU HB2 1 135 TRP H 5.100 . 5.100 4.924 4.841 5.049 . 0 0 "[ . 1]" 1
1428 1 133 GLU QG 1 134 GLY H 3.100 . 3.100 3.450 3.354 3.642 0.542 4 1 "[ +. 1]" 1
1429 1 133 GLU QG 1 134 GLY HA2 4.600 . 4.600 4.517 4.449 4.652 0.052 4 0 "[ . 1]" 1
1430 1 133 GLU QG 1 134 GLY HA3 3.320 . 3.320 3.396 3.338 3.495 0.175 5 0 "[ . 1]" 1
1431 1 133 GLU QG 1 135 TRP HB2 5.500 . 5.500 4.128 4.052 4.226 . 0 0 "[ . 1]" 1
1432 1 134 GLY H 1 135 TRP H 3.120 . 3.120 2.792 2.486 3.094 . 0 0 "[ . 1]" 1
1433 1 134 GLY H 1 135 TRP HD1 5.500 . 5.500 5.362 4.828 5.660 0.160 5 0 "[ . 1]" 1
1434 1 134 GLY HA2 1 153 ALA MB 5.420 . 5.420 4.904 4.592 5.329 . 0 0 "[ . 1]" 1
1435 1 134 GLY HA2 1 164 MET ME 3.940 . 3.940 3.922 3.817 4.000 0.060 10 0 "[ . 1]" 1
1436 1 134 GLY HA3 1 153 ALA MB 4.860 . 4.860 4.666 4.375 4.889 0.029 3 0 "[ . 1]" 1
1437 1 134 GLY HA3 1 164 MET HB2 5.050 . 5.050 5.090 4.805 5.295 0.245 10 0 "[ . 1]" 1
1438 1 134 GLY HA3 1 164 MET ME 3.110 . 3.110 2.997 2.757 3.176 0.066 3 0 "[ . 1]" 1
1439 1 135 TRP H 1 135 TRP HD1 5.500 . 5.500 3.733 3.244 4.167 . 0 0 "[ . 1]" 1
1440 1 135 TRP H 1 136 THR H 4.390 . 4.390 4.354 4.303 4.460 0.070 1 0 "[ . 1]" 1
1441 1 135 TRP H 1 136 THR HA 5.010 . 5.010 4.890 4.685 5.195 0.185 5 0 "[ . 1]" 1
1442 1 135 TRP H 1 153 ALA MB 5.500 . 5.500 4.468 4.166 4.743 . 0 0 "[ . 1]" 1
1443 1 135 TRP HA 1 136 THR H 3.430 . 3.430 2.179 2.133 2.250 . 0 0 "[ . 1]" 1
1444 1 135 TRP HA 1 136 THR HB 4.470 . 4.470 4.550 4.517 4.597 0.127 7 0 "[ . 1]" 1
1445 1 135 TRP HA 1 153 ALA MB 3.890 . 3.890 2.186 1.985 2.429 . 0 0 "[ . 1]" 1
1446 1 135 TRP HA 1 154 HIS HD2 4.490 . 4.490 4.575 4.429 4.724 0.234 6 0 "[ . 1]" 1
1447 1 135 TRP HA 1 164 MET ME 5.020 . 5.020 3.265 2.770 3.678 . 0 0 "[ . 1]" 1
1448 1 135 TRP HE1 1 153 ALA MB 5.120 . 5.120 4.529 4.002 5.172 0.052 7 0 "[ . 1]" 1
1449 1 135 TRP HE1 1 164 MET ME 3.250 . 3.250 2.994 2.569 3.377 0.127 10 0 "[ . 1]" 1
1450 1 135 TRP HE1 1 168 LEU H 5.500 . 5.500 4.412 3.992 4.788 . 0 0 "[ . 1]" 1
1451 1 135 TRP HE1 1 168 LEU MD1 4.230 . 4.230 3.115 2.204 3.650 . 0 0 "[ . 1]" 1
1452 1 135 TRP HE1 1 168 LEU MD2 5.160 . 5.160 4.478 3.762 5.068 . 0 0 "[ . 1]" 1
1453 1 135 TRP HZ2 1 164 MET HB2 5.220 . 5.220 4.323 3.805 5.510 0.290 10 0 "[ . 1]" 1
1454 1 135 TRP HZ2 1 168 LEU H 5.500 . 5.500 4.675 4.454 4.972 . 0 0 "[ . 1]" 1
1455 1 135 TRP HZ2 1 168 LEU HB2 5.090 . 5.090 3.195 2.892 3.552 . 0 0 "[ . 1]" 1
1456 1 136 THR H 1 136 THR HB 3.620 . 3.620 2.647 2.545 2.713 . 0 0 "[ . 1]" 1
1457 1 136 THR H 1 136 THR MG 3.740 . 3.740 3.843 3.800 3.866 0.126 8 0 "[ . 1]" 1
1458 1 136 THR H 1 137 ALA H 4.360 . 4.360 4.037 3.938 4.221 . 0 0 "[ . 1]" 1
1459 1 136 THR H 1 137 ALA HA 5.060 . 5.060 4.645 4.565 4.753 . 0 0 "[ . 1]" 1
1460 1 136 THR H 1 137 ALA MB 5.500 . 5.500 4.071 3.962 4.304 . 0 0 "[ . 1]" 1
1461 1 136 THR H 1 152 ALA MB 5.100 . 5.100 4.223 4.108 4.338 . 0 0 "[ . 1]" 1
1462 1 136 THR H 1 153 ALA MB 3.950 . 3.950 2.839 2.625 2.995 . 0 0 "[ . 1]" 1
1463 1 136 THR H 1 154 HIS H 5.500 . 5.500 4.720 4.577 5.110 . 0 0 "[ . 1]" 1
1464 1 136 THR H 1 154 HIS HD2 4.960 . 4.960 5.028 4.848 5.170 0.210 3 0 "[ . 1]" 1
1465 1 136 THR H 1 254 ALA MB 4.080 . 4.080 3.960 3.813 4.131 0.051 2 0 "[ . 1]" 1
1466 1 136 THR HA 1 136 THR MG 2.930 . 2.930 2.398 2.350 2.459 . 0 0 "[ . 1]" 1
1467 1 136 THR HA 1 137 ALA H 3.220 . 3.220 2.301 2.236 2.341 . 0 0 "[ . 1]" 1
1468 1 136 THR HA 1 137 ALA HA 4.930 . 4.930 4.384 4.369 4.427 . 0 0 "[ . 1]" 1
1469 1 136 THR HA 1 137 ALA MB 3.970 . 3.970 4.055 4.006 4.078 0.108 1 0 "[ . 1]" 1
1470 1 136 THR HB 1 152 ALA MB 4.270 . 4.270 3.423 3.286 3.562 . 0 0 "[ . 1]" 1
1471 1 136 THR HB 1 254 ALA MB 3.400 . 3.400 2.142 1.939 2.259 . 0 0 "[ . 1]" 1
1472 1 136 THR MG 1 137 ALA H 3.310 . 3.310 3.309 3.017 3.384 0.074 5 0 "[ . 1]" 1
1473 1 136 THR MG 1 137 ALA MB 5.500 . 5.500 4.459 4.281 4.509 . 0 0 "[ . 1]" 1
1474 1 136 THR MG 1 253 ARG QB 3.100 . 3.100 3.055 2.418 3.305 0.205 1 0 "[ . 1]" 1
1475 1 136 THR MG 1 254 ALA H 3.690 . 3.690 3.193 2.880 3.451 . 0 0 "[ . 1]" 1
1476 1 136 THR MG 1 254 ALA HA 3.770 . 3.770 3.644 3.441 3.808 0.038 4 0 "[ . 1]" 1
1477 1 136 THR MG 1 254 ALA MB 3.580 . 3.580 2.516 2.324 2.762 . 0 0 "[ . 1]" 1
1478 1 137 ALA H 1 137 ALA MB 3.090 . 3.090 2.425 2.325 2.552 . 0 0 "[ . 1]" 1
1479 1 137 ALA H 1 250 ALA MB 5.250 . 5.250 4.613 4.351 5.046 . 0 0 "[ . 1]" 1
1480 1 137 ALA HA 1 138 SER HA 5.230 . 5.230 4.383 4.351 4.436 . 0 0 "[ . 1]" 1
1481 1 137 ALA HA 1 151 PHE HA 3.830 . 3.830 2.386 2.322 2.454 . 0 0 "[ . 1]" 1
1482 1 137 ALA HA 1 151 PHE HB3 4.940 . 4.940 3.919 3.829 4.023 . 0 0 "[ . 1]" 1
1483 1 137 ALA HA 1 151 PHE HD1 4.860 . 4.860 4.933 4.789 5.111 0.251 4 0 "[ . 1]" 1
1484 1 137 ALA HA 1 152 ALA H 3.850 . 3.850 2.525 2.330 3.183 . 0 0 "[ . 1]" 1
1485 1 137 ALA HA 1 250 ALA MB 3.580 . 3.580 3.806 3.655 3.934 0.354 4 0 "[ . 1]" 1
1486 1 137 ALA MB 1 150 ALA H 4.840 . 4.840 4.962 4.815 5.056 0.216 2 0 "[ . 1]" 1
1487 1 137 ALA MB 1 151 PHE HD1 3.620 . 3.620 3.156 3.082 3.207 . 0 0 "[ . 1]" 1
1488 1 137 ALA MB 1 151 PHE HE1 3.770 . 3.770 3.862 3.690 3.935 0.165 2 0 "[ . 1]" 1
1489 1 137 ALA MB 1 152 ALA H 4.140 . 4.140 3.119 2.928 3.373 . 0 0 "[ . 1]" 1
1490 1 138 SER H 1 139 ASP H 5.190 . 5.190 1.859 1.816 1.924 . 0 0 "[ . 1]" 1
1491 1 138 SER H 1 150 ALA H 4.890 . 4.890 4.969 4.924 5.050 0.160 5 0 "[ . 1]" 1
1492 1 138 SER H 1 150 ALA MB 5.500 . 5.500 4.853 4.596 4.938 . 0 0 "[ . 1]" 1
1493 1 138 SER H 1 151 PHE HA 5.040 . 5.040 3.389 3.323 3.430 . 0 0 "[ . 1]" 1
1494 1 138 SER H 1 151 PHE HB3 5.040 . 5.040 5.483 5.408 5.538 0.498 5 0 "[ . 1]" 1
1495 1 138 SER H 1 151 PHE HD1 5.340 . 5.340 5.087 4.974 5.242 . 0 0 "[ . 1]" 1
1496 1 138 SER H 1 152 ALA H 5.180 . 5.180 4.113 3.905 4.971 . 0 0 "[ . 1]" 1
1497 1 138 SER H 1 250 ALA MB 4.010 . 4.010 3.246 2.994 3.563 . 0 0 "[ . 1]" 1
1498 1 138 SER HA 1 250 ALA MB 4.550 . 4.550 4.112 3.951 4.237 . 0 0 "[ . 1]" 1
1499 1 138 SER HB2 1 139 ASP HA 4.900 . 4.900 4.825 4.715 4.907 0.007 6 0 "[ . 1]" 1
1500 1 138 SER HB3 1 139 ASP H 4.980 . 4.980 4.419 4.404 4.446 . 0 0 "[ . 1]" 1
1501 1 138 SER HB3 1 250 ALA H 4.540 . 4.540 4.674 4.624 4.730 0.190 5 0 "[ . 1]" 1
1502 1 139 ASP H 1 140 PRO QG 5.110 . 5.110 4.212 3.994 4.612 . 0 0 "[ . 1]" 1
1503 1 139 ASP H 1 150 ALA H 5.500 . 5.500 3.443 3.385 3.574 . 0 0 "[ . 1]" 1
1504 1 139 ASP H 1 150 ALA HA 5.500 . 5.500 5.470 5.425 5.593 0.093 5 0 "[ . 1]" 1
1505 1 140 PRO HA 1 141 ILE HA 4.940 . 4.940 4.466 4.370 4.588 . 0 0 "[ . 1]" 1
1506 1 140 PRO HA 1 141 ILE HB 4.820 . 4.820 4.547 4.268 4.697 . 0 0 "[ . 1]" 1
1507 1 140 PRO HA 1 141 ILE QG 4.800 . 4.800 3.899 3.545 4.342 . 0 0 "[ . 1]" 1
1508 1 140 PRO HA 1 147 THR MG 4.610 . 4.610 3.756 3.323 3.994 . 0 0 "[ . 1]" 1
1509 1 140 PRO HA 1 148 PHE H 5.110 . 5.110 4.831 4.636 5.173 0.063 5 0 "[ . 1]" 1
1510 1 140 PRO HA 1 149 MET H 4.860 . 4.860 4.551 4.258 4.794 . 0 0 "[ . 1]" 1
1511 1 140 PRO HA 1 149 MET HA 4.310 . 4.310 2.126 1.901 2.394 . 0 0 "[ . 1]" 1
1512 1 140 PRO HA 1 149 MET HB2 4.820 . 4.820 3.640 2.587 4.644 . 0 0 "[ . 1]" 1
1513 1 140 PRO HA 1 149 MET ME 4.220 . 4.220 4.003 3.364 4.603 0.383 5 0 "[ . 1]" 1
1514 1 140 PRO HA 1 150 ALA H 5.110 . 5.110 3.547 3.341 3.809 . 0 0 "[ . 1]" 1
1515 1 140 PRO HB3 1 141 ILE H 4.140 . 4.140 3.483 3.160 3.779 . 0 0 "[ . 1]" 1
1516 1 140 PRO QG 1 141 ILE H 4.350 . 4.350 4.613 4.437 4.800 0.450 4 0 "[ . 1]" 1
1517 1 140 PRO QG 1 141 ILE MD 5.500 . 5.500 5.240 4.927 5.629 0.129 2 0 "[ . 1]" 1
1518 1 140 PRO QG 1 147 THR MG 4.880 . 4.880 4.781 4.184 5.112 0.232 5 0 "[ . 1]" 1
1519 1 140 PRO QG 1 243 ILE MG 4.490 . 4.490 2.841 2.118 4.074 . 0 0 "[ . 1]" 1
1520 1 141 ILE H 1 141 ILE HB 3.760 . 3.760 2.906 2.703 3.060 . 0 0 "[ . 1]" 1
1521 1 141 ILE H 1 141 ILE MD 5.500 . 5.500 3.966 3.586 4.249 . 0 0 "[ . 1]" 1
1522 1 141 ILE H 1 141 ILE QG 4.500 . 4.500 3.232 2.789 3.756 . 0 0 "[ . 1]" 1
1523 1 141 ILE H 1 141 ILE MG 4.270 . 4.270 3.898 3.791 3.967 . 0 0 "[ . 1]" 1
1524 1 141 ILE H 1 142 THR H 5.280 . 5.280 4.286 4.044 4.477 . 0 0 "[ . 1]" 1
1525 1 141 ILE H 1 147 THR MG 3.680 . 3.680 2.947 1.974 3.379 . 0 0 "[ . 1]" 1
1526 1 141 ILE H 1 148 PHE H 4.470 . 4.470 3.099 2.948 3.305 . 0 0 "[ . 1]" 1
1527 1 141 ILE H 1 149 MET HA 5.200 . 5.200 3.342 2.884 3.801 . 0 0 "[ . 1]" 1
1528 1 141 ILE H 1 235 ILE MD 4.000 . 6.000 5.448 4.854 5.972 . 0 0 "[ . 1]" 1
1529 1 141 ILE H 1 243 ILE MD 4.840 . 4.840 4.240 2.762 5.379 0.539 1 1 "[+ . 1]" 1
1530 1 141 ILE H 1 243 ILE MG 5.500 . 5.500 4.515 3.670 5.205 . 0 0 "[ . 1]" 1
1531 1 141 ILE HA 1 141 ILE MD 3.540 . 3.540 2.060 1.939 2.200 . 0 0 "[ . 1]" 1
1532 1 141 ILE HA 1 141 ILE QG 4.010 . 4.010 2.890 2.723 3.011 . 0 0 "[ . 1]" 1
1533 1 141 ILE HA 1 141 ILE MG 3.430 . 3.430 2.442 2.353 2.601 . 0 0 "[ . 1]" 1
1534 1 141 ILE HA 1 142 THR H 3.130 . 3.130 2.259 2.067 2.512 . 0 0 "[ . 1]" 1
1535 1 141 ILE HA 1 142 THR HB 4.460 . 4.460 4.486 4.257 4.642 0.182 9 0 "[ . 1]" 1
1536 1 141 ILE HB 1 142 THR H 4.010 . 4.010 3.830 3.453 4.220 0.210 10 0 "[ . 1]" 1
1537 1 141 ILE HB 1 148 PHE H 5.100 . 5.100 3.420 3.007 3.715 . 0 0 "[ . 1]" 1
1538 1 141 ILE HB 1 148 PHE HD1 4.510 . 4.510 3.427 2.179 4.513 0.003 8 0 "[ . 1]" 1
1539 1 141 ILE MD 1 141 ILE MG 3.050 . 3.050 1.939 1.802 2.039 . 0 0 "[ . 1]" 1
1540 1 141 ILE MD 1 142 THR H 3.810 . 3.810 3.419 2.963 3.726 . 0 0 "[ . 1]" 1
1541 1 141 ILE MD 1 148 PHE H 5.500 . 5.500 5.610 5.484 5.762 0.262 9 0 "[ . 1]" 1
1542 1 141 ILE MD 1 240 PHE HB3 5.250 . 5.250 4.912 4.014 5.471 0.221 8 0 "[ . 1]" 1
1543 1 141 ILE MD 1 244 ASN H 5.500 . 5.500 3.484 3.151 3.962 . 0 0 "[ . 1]" 1
1544 1 141 ILE MD 1 244 ASN HA 3.680 . 3.680 2.338 2.023 2.772 . 0 0 "[ . 1]" 1
1545 1 141 ILE MD 1 244 ASN HB3 4.670 . 4.670 3.989 3.632 4.380 . 0 0 "[ . 1]" 1
1546 1 141 ILE MD 1 244 ASN HD21 5.500 . 5.500 3.344 2.942 4.137 . 0 0 "[ . 1]" 1
1547 1 141 ILE MD 1 244 ASN HD22 5.500 . 5.500 2.674 1.767 4.828 0.033 8 0 "[ . 1]" 1
1548 1 141 ILE MD 1 246 THR H 4.000 . 6.000 5.813 5.417 6.114 0.114 1 0 "[ . 1]" 1
1549 1 141 ILE QG 1 142 THR H 4.600 . 4.600 4.372 4.235 4.568 . 0 0 "[ . 1]" 1
1550 1 141 ILE MG 1 142 THR H 3.470 . 3.470 2.069 1.746 2.456 0.054 1 0 "[ . 1]" 1
1551 1 141 ILE MG 1 142 THR HB 4.340 . 4.340 3.887 3.567 4.230 . 0 0 "[ . 1]" 1
1552 1 141 ILE MG 1 142 THR MG 4.700 . 4.700 4.442 4.265 4.620 . 0 0 "[ . 1]" 1
1553 1 141 ILE MG 1 148 PHE H 4.280 . 4.280 3.789 3.354 4.183 . 0 0 "[ . 1]" 1
1554 1 141 ILE MG 1 148 PHE HB3 4.100 . 4.100 4.322 3.935 4.575 0.475 2 0 "[ . 1]" 1
1555 1 141 ILE MG 1 148 PHE HD1 3.990 . 3.990 3.472 2.843 4.004 0.014 6 0 "[ . 1]" 1
1556 1 141 ILE MG 1 234 HIS HD2 4.000 . 6.000 6.231 6.062 6.422 0.422 3 0 "[ . 1]" 1
1557 1 141 ILE MG 1 235 ILE MD 4.000 . 6.000 5.350 5.080 5.776 . 0 0 "[ . 1]" 1
1558 1 141 ILE MG 1 240 PHE HB2 5.500 . 5.500 3.513 2.177 4.330 . 0 0 "[ . 1]" 1
1559 1 141 ILE MG 1 240 PHE HB3 5.230 . 5.230 4.313 2.918 5.244 0.014 8 0 "[ . 1]" 1
1560 1 141 ILE MG 1 242 HIS H 4.000 . 6.500 6.955 6.810 7.124 0.624 10 4 "[ * . -* +]" 1
1561 1 142 THR H 1 142 THR HB 3.230 . 3.230 2.505 2.372 2.747 . 0 0 "[ . 1]" 1
1562 1 142 THR H 1 142 THR MG 3.810 . 3.810 3.737 3.630 3.848 0.038 4 0 "[ . 1]" 1
1563 1 142 THR HA 1 142 THR MG 3.330 . 3.330 2.373 2.265 2.584 . 0 0 "[ . 1]" 1
1564 1 142 THR HA 1 148 PHE H 4.700 . 4.700 3.388 3.041 3.847 . 0 0 "[ . 1]" 1
1565 1 142 THR HA 1 235 ILE MD 4.000 . 6.000 2.745 2.393 3.397 . 0 0 "[ . 1]" 1
1566 1 142 THR HB 1 143 ASP H 4.230 . 4.230 4.042 3.927 4.249 0.019 5 0 "[ . 1]" 1
1567 1 142 THR HB 1 235 ILE MD 3.890 . 3.890 4.002 3.739 4.238 0.348 10 0 "[ . 1]" 1
1568 1 142 THR HB 1 235 ILE MG 4.000 . 6.000 5.373 4.841 5.849 . 0 0 "[ . 1]" 1
1569 1 142 THR MG 1 143 ASP H 3.650 . 3.650 2.408 2.209 2.591 . 0 0 "[ . 1]" 1
1570 1 142 THR MG 1 143 ASP HA 4.390 . 4.390 3.511 3.314 3.769 . 0 0 "[ . 1]" 1
1571 1 142 THR MG 1 143 ASP HB2 5.490 . 5.490 4.781 4.613 4.988 . 0 0 "[ . 1]" 1
1572 1 142 THR MG 1 143 ASP HB3 5.500 . 5.500 4.662 4.449 4.769 . 0 0 "[ . 1]" 1
1573 1 142 THR MG 1 144 ARG H 5.480 . 5.480 4.878 4.731 5.099 . 0 0 "[ . 1]" 1
1574 1 142 THR MG 1 145 GLY H 5.500 . 5.500 4.296 3.979 4.566 . 0 0 "[ . 1]" 1
1575 1 142 THR MG 1 146 SER H 5.500 . 5.500 5.017 4.631 5.422 . 0 0 "[ . 1]" 1
1576 1 142 THR MG 1 148 PHE H 5.500 . 5.500 5.137 4.649 5.494 . 0 0 "[ . 1]" 1
1577 1 142 THR MG 1 234 HIS HA 3.320 . 3.320 3.056 2.729 3.513 0.193 10 0 "[ . 1]" 1
1578 1 142 THR MG 1 234 HIS HB3 4.240 . 4.240 3.845 3.192 4.590 0.350 7 0 "[ . 1]" 1
1579 1 142 THR MG 1 235 ILE HG12 4.240 . 4.240 3.906 2.328 4.463 0.223 7 0 "[ . 1]" 1
1580 1 142 THR MG 1 239 ARG H 4.970 . 4.970 4.669 3.636 5.258 0.288 1 0 "[ . 1]" 1
1581 1 142 THR MG 1 240 PHE H 4.610 . 4.610 3.764 2.864 4.289 . 0 0 "[ . 1]" 1
1582 1 142 THR MG 1 240 PHE HB3 4.500 . 4.500 4.004 2.536 4.622 0.122 3 0 "[ . 1]" 1
1583 1 143 ASP H 1 144 ARG H 4.690 . 4.690 4.357 4.331 4.389 . 0 0 "[ . 1]" 1
1584 1 143 ASP H 1 144 ARG HA 4.840 . 4.840 4.886 4.793 4.957 0.117 6 0 "[ . 1]" 1
1585 1 143 ASP H 1 145 GLY H 4.620 . 4.620 4.739 4.608 4.808 0.188 10 0 "[ . 1]" 1
1586 1 143 ASP H 1 146 SER H 4.050 . 4.050 4.055 3.889 4.222 0.172 9 0 "[ . 1]" 1
1587 1 143 ASP H 1 234 HIS HD2 5.500 . 5.500 4.677 3.451 5.447 . 0 0 "[ . 1]" 1
1588 1 143 ASP HA 1 144 ARG H 3.540 . 3.540 2.574 2.511 2.651 . 0 0 "[ . 1]" 1
1589 1 143 ASP HA 1 144 ARG HA 4.170 . 4.170 4.255 4.221 4.287 0.117 3 0 "[ . 1]" 1
1590 1 143 ASP HB2 1 144 ARG H 5.360 . 5.360 3.819 3.708 3.892 . 0 0 "[ . 1]" 1
1591 1 143 ASP HB2 1 146 SER H 5.500 . 5.500 4.959 4.842 5.192 . 0 0 "[ . 1]" 1
1592 1 143 ASP HB3 1 146 SER H 3.610 . 3.610 3.300 3.172 3.506 . 0 0 "[ . 1]" 1
1593 1 144 ARG H 1 145 GLY H 4.690 . 4.690 4.214 4.091 4.291 . 0 0 "[ . 1]" 1
1594 1 144 ARG H 1 146 SER H 4.560 . 4.560 4.036 3.808 4.296 . 0 0 "[ . 1]" 1
1595 1 144 ARG H 1 234 HIS HA 5.500 . 5.500 5.554 4.894 5.840 0.340 3 0 "[ . 1]" 1
1596 1 144 ARG HA 1 145 GLY HA3 5.040 . 5.040 4.333 4.300 4.346 . 0 0 "[ . 1]" 1
1597 1 145 GLY H 1 146 SER H 3.910 . 3.910 3.124 2.989 3.234 . 0 0 "[ . 1]" 1
1598 1 145 GLY H 1 234 HIS HA 5.500 . 5.500 2.733 2.004 3.159 . 0 0 "[ . 1]" 1
1599 1 145 GLY HA2 1 146 SER HA 5.010 . 5.010 4.628 4.613 4.653 . 0 0 "[ . 1]" 1
1600 1 145 GLY HA3 1 234 HIS HA 5.500 . 5.500 5.244 4.527 5.632 0.132 3 0 "[ . 1]" 1
1601 1 146 SER H 1 147 THR H 5.060 . 5.060 4.549 4.452 4.786 . 0 0 "[ . 1]" 1
1602 1 146 SER H 1 234 HIS HA 5.250 . 5.250 5.150 3.771 5.472 0.222 9 0 "[ . 1]" 1
1603 1 146 SER H 1 235 ILE MD 5.200 . 5.200 4.690 3.885 5.609 0.409 4 0 "[ . 1]" 1
1604 1 146 SER HA 1 235 ILE MD 4.000 . 6.000 4.284 3.143 5.430 . 0 0 "[ . 1]" 1
1605 1 146 SER QB 1 148 PHE H 4.860 . 4.860 4.828 4.535 5.017 0.157 4 0 "[ . 1]" 1
1606 1 146 SER QB 1 148 PHE HA 5.090 . 5.090 4.984 4.801 5.228 0.138 4 0 "[ . 1]" 1
1607 1 146 SER QB 1 235 ILE MD 4.000 . 6.000 4.873 4.300 5.779 . 0 0 "[ . 1]" 1
1608 1 147 THR H 1 148 PHE HA 5.030 . 5.030 4.587 4.142 4.892 . 0 0 "[ . 1]" 1
1609 1 147 THR H 1 229 TRP H 4.590 . 4.590 2.641 2.319 3.266 . 0 0 "[ . 1]" 1
1610 1 147 THR HA 1 148 PHE HD1 4.720 . 4.720 4.421 3.963 5.200 0.480 2 0 "[ . 1]" 1
1611 1 147 THR HB 1 228 ARG HA 5.070 . 5.070 4.363 3.745 5.108 0.038 10 0 "[ . 1]" 1
1612 1 147 THR HB 1 229 TRP H 5.340 . 5.340 2.793 2.124 3.734 . 0 0 "[ . 1]" 1
1613 1 147 THR MG 1 148 PHE H 3.450 . 3.450 2.643 2.403 2.905 . 0 0 "[ . 1]" 1
1614 1 147 THR MG 1 148 PHE HA 4.850 . 4.850 3.891 3.346 4.136 . 0 0 "[ . 1]" 1
1615 1 147 THR MG 1 149 MET H 4.630 . 4.630 4.387 3.976 4.720 0.090 4 0 "[ . 1]" 1
1616 1 147 THR MG 1 149 MET HB3 5.120 . 5.120 3.757 2.757 5.007 . 0 0 "[ . 1]" 1
1617 1 147 THR MG 1 229 TRP H 5.500 . 5.500 4.057 3.754 4.590 . 0 0 "[ . 1]" 1
1618 1 148 PHE H 1 148 PHE HD1 4.620 . 4.620 3.149 2.793 3.617 . 0 0 "[ . 1]" 1
1619 1 148 PHE H 1 149 MET ME 4.720 . 4.720 4.618 4.327 4.817 0.097 4 0 "[ . 1]" 1
1620 1 148 PHE HA 1 148 PHE HD1 4.500 . 4.500 3.983 3.676 4.190 . 0 0 "[ . 1]" 1
1621 1 148 PHE HA 1 149 MET QG 4.970 . 4.970 3.961 3.539 4.503 . 0 0 "[ . 1]" 1
1622 1 148 PHE HA 1 226 VAL MG2 5.500 . 5.500 5.677 5.514 5.764 0.264 2 0 "[ . 1]" 1
1623 1 148 PHE HA 1 228 ARG H 5.500 . 5.500 5.058 4.773 5.270 . 0 0 "[ . 1]" 1
1624 1 148 PHE HA 1 228 ARG HA 4.480 . 4.480 2.700 2.319 3.163 . 0 0 "[ . 1]" 1
1625 1 148 PHE HA 1 229 TRP H 5.500 . 5.500 3.928 3.468 4.550 . 0 0 "[ . 1]" 1
1626 1 148 PHE HA 1 235 ILE MD 4.000 . 6.000 6.336 6.105 6.510 0.510 6 1 "[ .+ 1]" 1
1627 1 149 MET H 1 149 MET QG 4.320 . 4.320 2.691 2.295 3.694 . 0 0 "[ . 1]" 1
1628 1 149 MET H 1 227 ALA H 4.350 . 4.350 2.688 2.472 3.175 . 0 0 "[ . 1]" 1
1629 1 149 MET HB2 1 150 ALA H 4.980 . 4.980 3.156 2.508 3.961 . 0 0 "[ . 1]" 1
1630 1 149 MET HB2 1 150 ALA MB 5.500 . 5.500 4.883 4.602 5.277 . 0 0 "[ . 1]" 1
1631 1 149 MET QG 1 150 ALA H 4.170 . 4.170 3.929 3.636 4.271 0.101 3 0 "[ . 1]" 1
1632 1 150 ALA HA 1 151 PHE HD1 4.570 . 4.570 2.939 2.845 2.992 . 0 0 "[ . 1]" 1
1633 1 150 ALA HA 1 151 PHE HE1 5.300 . 5.300 4.731 4.569 4.791 . 0 0 "[ . 1]" 1
1634 1 150 ALA HA 1 227 ALA H 4.100 . 4.100 3.701 3.473 3.889 . 0 0 "[ . 1]" 1
1635 1 150 ALA MB 1 151 PHE H 3.870 . 3.870 2.653 2.304 2.814 . 0 0 "[ . 1]" 1
1636 1 150 ALA MB 1 151 PHE HD1 4.780 . 4.780 4.019 3.960 4.053 . 0 0 "[ . 1]" 1
1637 1 150 ALA MB 1 151 PHE HE1 5.500 . 5.500 5.536 5.404 5.579 0.079 10 0 "[ . 1]" 1
1638 1 150 ALA MB 1 226 VAL HA 4.620 . 4.620 3.190 2.997 3.321 . 0 0 "[ . 1]" 1
1639 1 150 ALA MB 1 226 VAL HB 4.470 . 4.470 4.517 4.472 4.571 0.101 5 0 "[ . 1]" 1
1640 1 151 PHE H 1 152 ALA H 5.230 . 5.230 4.286 4.181 4.490 . 0 0 "[ . 1]" 1
1641 1 151 PHE H 1 224 VAL HA 4.630 . 4.630 4.059 3.696 4.369 . 0 0 "[ . 1]" 1
1642 1 151 PHE H 1 224 VAL MG2 3.990 . 3.990 2.881 2.497 3.236 . 0 0 "[ . 1]" 1
1643 1 151 PHE H 1 225 VAL H 4.230 . 4.230 2.492 2.337 2.692 . 0 0 "[ . 1]" 1
1644 1 151 PHE H 1 225 VAL MG1 4.260 . 4.260 3.786 3.620 4.097 . 0 0 "[ . 1]" 1
1645 1 151 PHE H 1 225 VAL MG2 5.500 . 5.500 4.629 4.375 4.847 . 0 0 "[ . 1]" 1
1646 1 151 PHE H 1 226 VAL MG2 4.370 . 4.370 3.887 3.742 4.050 . 0 0 "[ . 1]" 1
1647 1 151 PHE HA 1 151 PHE HD1 4.670 . 4.670 3.016 2.951 3.113 . 0 0 "[ . 1]" 1
1648 1 151 PHE HB2 1 151 PHE HE1 5.010 . 5.010 5.051 5.007 5.086 0.076 3 0 "[ . 1]" 1
1649 1 151 PHE HB2 1 152 ALA H 5.350 . 5.350 4.250 3.689 4.392 . 0 0 "[ . 1]" 1
1650 1 151 PHE HB2 1 168 LEU MD1 3.930 . 3.930 3.837 3.398 3.990 0.060 7 0 "[ . 1]" 1
1651 1 151 PHE HB2 1 168 LEU MD2 4.480 . 4.480 3.400 2.786 3.790 . 0 0 "[ . 1]" 1
1652 1 151 PHE HB3 1 223 ILE MD 5.500 . 5.500 5.478 5.153 5.686 0.186 8 0 "[ . 1]" 1
1653 1 151 PHE HB3 1 224 VAL MG2 5.250 . 5.250 5.248 5.014 5.342 0.092 8 0 "[ . 1]" 1
1654 1 151 PHE HB3 1 225 VAL HB 4.990 . 4.990 3.928 3.759 4.243 . 0 0 "[ . 1]" 1
1655 1 151 PHE HD1 1 168 LEU MD2 5.500 . 5.500 5.056 4.494 5.565 0.065 8 0 "[ . 1]" 1
1656 1 151 PHE HD1 1 225 VAL HB 4.490 . 4.490 4.473 4.258 4.570 0.080 5 0 "[ . 1]" 1
1657 1 151 PHE HD1 1 225 VAL MG1 3.820 . 3.820 4.046 4.001 4.090 0.270 5 0 "[ . 1]" 1
1658 1 152 ALA H 1 152 ALA MB 3.270 . 3.270 2.333 2.156 2.696 . 0 0 "[ . 1]" 1
1659 1 152 ALA H 1 250 ALA MB 5.500 . 5.500 4.838 4.454 5.544 0.044 3 0 "[ . 1]" 1
1660 1 152 ALA H 1 251 VAL HA 5.390 . 5.390 5.024 4.706 5.555 0.165 3 0 "[ . 1]" 1
1661 1 152 ALA HA 1 153 ALA HA 5.150 . 5.150 4.489 4.453 4.549 . 0 0 "[ . 1]" 1
1662 1 152 ALA HA 1 153 ALA MB 4.290 . 4.290 3.901 3.852 3.935 . 0 0 "[ . 1]" 1
1663 1 152 ALA HA 1 223 ILE H 5.050 . 5.050 4.616 4.311 5.060 0.010 9 0 "[ . 1]" 1
1664 1 152 ALA HA 1 223 ILE MD 4.760 . 4.760 4.559 3.635 4.965 0.205 6 0 "[ . 1]" 1
1665 1 152 ALA HA 1 224 VAL HA 4.000 . 4.000 2.336 2.291 2.396 . 0 0 "[ . 1]" 1
1666 1 152 ALA HA 1 224 VAL HB 4.630 . 4.630 3.289 3.027 3.404 . 0 0 "[ . 1]" 1
1667 1 152 ALA HA 1 224 VAL MG1 4.460 . 4.460 4.622 4.472 4.702 0.242 5 0 "[ . 1]" 1
1668 1 152 ALA HA 1 224 VAL MG2 4.120 . 4.120 3.252 2.921 3.517 . 0 0 "[ . 1]" 1
1669 1 152 ALA HA 1 225 VAL H 5.100 . 5.100 3.766 3.605 4.059 . 0 0 "[ . 1]" 1
1670 1 152 ALA MB 1 153 ALA H 3.500 . 3.500 2.682 2.584 2.916 . 0 0 "[ . 1]" 1
1671 1 152 ALA MB 1 153 ALA HA 3.830 . 3.830 3.850 3.773 3.897 0.067 3 0 "[ . 1]" 1
1672 1 152 ALA MB 1 222 VAL MG2 3.400 . 3.400 2.861 2.608 3.224 . 0 0 "[ . 1]" 1
1673 1 152 ALA MB 1 224 VAL HA 3.580 . 3.580 3.661 3.551 3.732 0.152 9 0 "[ . 1]" 1
1674 1 152 ALA MB 1 224 VAL MG2 3.390 . 3.390 3.121 2.842 3.378 . 0 0 "[ . 1]" 1
1675 1 152 ALA MB 1 225 VAL H 5.220 . 5.220 4.717 4.429 4.983 . 0 0 "[ . 1]" 1
1676 1 152 ALA MB 1 251 VAL H 4.170 . 4.170 4.487 4.325 4.602 0.432 6 0 "[ . 1]" 1
1677 1 152 ALA MB 1 251 VAL HA 3.580 . 3.580 2.707 2.550 2.823 . 0 0 "[ . 1]" 1
1678 1 152 ALA MB 1 251 VAL MG2 3.170 . 3.170 2.958 2.657 3.219 0.049 7 0 "[ . 1]" 1
1679 1 152 ALA MB 1 254 ALA MB 3.260 . 3.260 2.052 1.905 2.136 . 0 0 "[ . 1]" 1
1680 1 152 ALA MB 1 256 PHE H 5.500 . 5.500 5.292 4.408 5.510 0.010 8 0 "[ . 1]" 1
1681 1 152 ALA MB 1 256 PHE QD 5.290 . 5.290 2.439 2.093 2.829 . 0 0 "[ . 1]" 1
1682 1 152 ALA MB 1 256 PHE QE 4.120 . 4.120 1.978 1.839 2.094 . 0 0 "[ . 1]" 1
1683 1 153 ALA H 1 222 VAL HA 4.860 . 4.860 4.418 4.098 4.744 . 0 0 "[ . 1]" 1
1684 1 153 ALA H 1 222 VAL MG2 3.930 . 3.930 2.516 2.241 2.844 . 0 0 "[ . 1]" 1
1685 1 153 ALA H 1 223 ILE H 4.480 . 4.480 2.790 2.545 3.162 . 0 0 "[ . 1]" 1
1686 1 153 ALA H 1 223 ILE MD 4.330 . 4.330 3.858 3.057 4.352 0.022 5 0 "[ . 1]" 1
1687 1 153 ALA H 1 223 ILE MG 5.500 . 5.500 4.934 4.600 5.313 . 0 0 "[ . 1]" 1
1688 1 153 ALA H 1 224 VAL HA 4.930 . 4.930 3.827 3.591 4.029 . 0 0 "[ . 1]" 1
1689 1 153 ALA H 1 224 VAL HB 5.310 . 5.310 4.538 4.341 4.740 . 0 0 "[ . 1]" 1
1690 1 153 ALA HA 1 154 HIS H 3.360 . 3.360 2.091 2.074 2.116 . 0 0 "[ . 1]" 1
1691 1 153 ALA HA 1 222 VAL MG2 5.070 . 5.070 3.694 3.557 3.997 . 0 0 "[ . 1]" 1
1692 1 153 ALA MB 1 154 HIS H 4.080 . 4.080 3.101 2.929 3.195 . 0 0 "[ . 1]" 1
1693 1 153 ALA MB 1 154 HIS HD2 3.990 . 3.990 3.411 3.158 3.533 . 0 0 "[ . 1]" 1
1694 1 153 ALA MB 1 155 VAL MG1 3.970 . 3.970 2.696 2.498 2.819 . 0 0 "[ . 1]" 1
1695 1 153 ALA MB 1 155 VAL MG2 5.480 . 5.480 4.560 4.160 4.829 . 0 0 "[ . 1]" 1
1696 1 153 ALA MB 1 164 MET ME 2.750 . 2.750 2.126 1.873 2.448 . 0 0 "[ . 1]" 1
1697 1 153 ALA MB 1 223 ILE MD 3.540 . 3.540 2.055 1.857 2.237 . 0 0 "[ . 1]" 1
1698 1 154 HIS H 1 154 HIS HB2 3.830 . 3.830 3.608 3.589 3.625 . 0 0 "[ . 1]" 1
1699 1 154 HIS H 1 154 HIS HB3 4.180 . 4.180 2.574 2.495 2.673 . 0 0 "[ . 1]" 1
1700 1 154 HIS H 1 154 HIS HD2 4.500 . 4.500 1.847 1.764 1.955 0.036 3 0 "[ . 1]" 1
1701 1 154 HIS H 1 155 VAL H 4.760 . 4.760 4.628 4.520 4.699 . 0 0 "[ . 1]" 1
1702 1 154 HIS H 1 164 MET ME 5.500 . 5.500 4.736 4.352 5.065 . 0 0 "[ . 1]" 1
1703 1 154 HIS HA 1 155 VAL H 3.540 . 3.540 2.280 2.188 2.358 . 0 0 "[ . 1]" 1
1704 1 154 HIS HA 1 155 VAL MG2 4.240 . 4.240 3.845 3.613 4.019 . 0 0 "[ . 1]" 1
1705 1 154 HIS HA 1 222 VAL HA 5.120 . 5.120 2.257 2.103 2.392 . 0 0 "[ . 1]" 1
1706 1 154 HIS HA 1 222 VAL MG1 5.140 . 5.140 4.346 4.164 4.632 . 0 0 "[ . 1]" 1
1707 1 154 HIS HB2 1 155 VAL H 4.480 . 4.480 3.130 3.003 3.479 . 0 0 "[ . 1]" 1
1708 1 154 HIS HB2 1 155 VAL MG1 4.520 . 4.520 4.635 4.554 4.704 0.184 5 0 "[ . 1]" 1
1709 1 154 HIS HB3 1 155 VAL H 5.000 . 5.000 4.179 4.083 4.313 . 0 0 "[ . 1]" 1
1710 1 154 HIS HD2 1 155 VAL MG1 4.020 . 4.020 4.243 4.109 4.323 0.303 10 0 "[ . 1]" 1
1711 1 155 VAL H 1 155 VAL MG1 3.810 . 3.810 2.810 2.665 2.976 . 0 0 "[ . 1]" 1
1712 1 155 VAL H 1 155 VAL MG2 3.130 . 3.130 2.442 2.357 2.558 . 0 0 "[ . 1]" 1
1713 1 155 VAL H 1 156 THR H 5.500 . 5.500 4.359 4.255 4.454 . 0 0 "[ . 1]" 1
1714 1 155 VAL H 1 161 ALA MB 5.500 . 5.500 5.396 5.215 5.665 0.165 5 0 "[ . 1]" 1
1715 1 155 VAL H 1 221 ASN QB 5.330 . 5.330 3.518 3.060 3.868 . 0 0 "[ . 1]" 1
1716 1 155 VAL H 1 222 VAL HA 4.980 . 4.980 2.771 2.340 3.003 . 0 0 "[ . 1]" 1
1717 1 155 VAL H 1 222 VAL HB 5.400 . 5.400 4.201 3.985 4.525 . 0 0 "[ . 1]" 1
1718 1 155 VAL H 1 223 ILE H 5.250 . 5.250 4.518 4.225 4.765 . 0 0 "[ . 1]" 1
1719 1 155 VAL HA 1 155 VAL MG1 3.480 . 3.480 2.470 2.435 2.526 . 0 0 "[ . 1]" 1
1720 1 155 VAL HA 1 156 THR H 3.560 . 3.560 2.325 2.130 2.432 . 0 0 "[ . 1]" 1
1721 1 155 VAL HA 1 161 ALA H 5.500 . 5.500 5.546 5.344 5.728 0.228 3 0 "[ . 1]" 1
1722 1 155 VAL HB 1 156 THR H 3.950 . 3.950 2.449 2.288 3.097 . 0 0 "[ . 1]" 1
1723 1 155 VAL HB 1 160 GLN H 5.500 . 5.500 5.396 4.929 5.612 0.112 2 0 "[ . 1]" 1
1724 1 155 VAL HB 1 161 ALA H 5.500 . 5.500 3.341 3.184 3.582 . 0 0 "[ . 1]" 1
1725 1 155 VAL HB 1 223 ILE MG 5.500 . 5.500 4.279 3.942 4.606 . 0 0 "[ . 1]" 1
1726 1 155 VAL MG1 1 156 THR H 3.950 . 3.950 3.782 3.696 4.005 0.055 5 0 "[ . 1]" 1
1727 1 155 VAL MG1 1 160 GLN QG 3.680 . 3.680 2.810 2.123 3.667 . 0 0 "[ . 1]" 1
1728 1 155 VAL MG1 1 161 ALA HA 3.450 . 3.450 2.782 2.594 3.096 . 0 0 "[ . 1]" 1
1729 1 155 VAL MG1 1 164 MET HB3 4.910 . 4.910 4.733 4.109 4.967 0.057 7 0 "[ . 1]" 1
1730 1 155 VAL MG1 1 164 MET ME 4.110 . 4.110 2.732 2.251 3.217 . 0 0 "[ . 1]" 1
1731 1 155 VAL MG1 1 222 VAL HA 5.310 . 5.310 3.172 2.933 3.476 . 0 0 "[ . 1]" 1
1732 1 155 VAL MG1 1 223 ILE MD 3.240 . 3.240 2.648 2.236 3.227 . 0 0 "[ . 1]" 1
1733 1 155 VAL MG2 1 158 GLU HA 5.060 . 5.060 4.305 4.000 4.620 . 0 0 "[ . 1]" 1
1734 1 155 VAL MG2 1 160 GLN H 5.500 . 5.500 5.648 5.176 5.816 0.316 9 0 "[ . 1]" 1
1735 1 155 VAL MG2 1 160 GLN QG 4.110 . 4.110 3.712 3.361 4.228 0.118 3 0 "[ . 1]" 1
1736 1 155 VAL MG2 1 161 ALA H 4.520 . 4.520 3.611 3.413 3.876 . 0 0 "[ . 1]" 1
1737 1 155 VAL MG2 1 161 ALA HA 4.060 . 4.060 3.452 3.171 3.954 . 0 0 "[ . 1]" 1
1738 1 155 VAL MG2 1 186 ILE MD 2.870 . 2.870 2.562 2.319 2.860 . 0 0 "[ . 1]" 1
1739 1 155 VAL MG2 1 221 ASN QB 4.290 . 4.290 4.024 3.746 4.250 . 0 0 "[ . 1]" 1
1740 1 155 VAL MG2 1 222 VAL H 3.880 . 3.880 3.706 3.044 3.950 0.070 2 0 "[ . 1]" 1
1741 1 155 VAL MG2 1 222 VAL HA 3.860 . 3.860 2.873 2.575 3.128 . 0 0 "[ . 1]" 1
1742 1 155 VAL MG2 1 223 ILE HB 5.500 . 5.500 4.822 4.318 5.320 . 0 0 "[ . 1]" 1
1743 1 155 VAL MG2 1 223 ILE MG 4.270 . 4.270 2.305 1.876 2.661 . 0 0 "[ . 1]" 1
1744 1 156 THR H 1 156 THR MG 3.470 . 3.470 2.376 1.861 2.703 . 0 0 "[ . 1]" 1
1745 1 156 THR HA 1 156 THR MG 3.360 . 3.360 2.601 2.277 3.230 . 0 0 "[ . 1]" 1
1746 1 156 THR HA 1 186 ILE MG 4.150 . 4.150 4.152 3.713 4.389 0.239 9 0 "[ . 1]" 1
1747 1 156 THR HB 1 157 SER H 5.500 . 5.500 2.217 1.670 3.355 0.130 3 0 "[ . 1]" 1
1748 1 156 THR HB 1 186 ILE MG 5.150 . 5.150 5.376 5.015 5.829 0.679 6 1 "[ .+ 1]" 1
1749 1 156 THR MG 1 157 SER H 4.110 . 4.110 3.032 2.015 3.493 . 0 0 "[ . 1]" 1
1750 1 157 SER H 1 157 SER HB2 4.170 . 4.170 2.503 2.443 2.589 . 0 0 "[ . 1]" 1
1751 1 157 SER H 1 158 GLU H 4.980 . 4.980 4.463 4.394 4.621 . 0 0 "[ . 1]" 1
1752 1 157 SER H 1 159 GLU H 5.160 . 5.160 5.014 4.853 5.178 0.018 1 0 "[ . 1]" 1
1753 1 157 SER H 1 160 GLN H 4.590 . 4.590 4.755 4.515 4.941 0.351 6 0 "[ . 1]" 1
1754 1 157 SER H 1 186 ILE MD 4.680 . 4.680 4.535 4.324 4.748 0.068 10 0 "[ . 1]" 1
1755 1 157 SER H 1 186 ILE MG 4.560 . 4.560 4.295 3.812 4.537 . 0 0 "[ . 1]" 1
1756 1 157 SER HA 1 159 GLU H 4.660 . 4.660 4.608 4.346 4.759 0.099 1 0 "[ . 1]" 1
1757 1 157 SER HA 1 186 ILE MD 5.050 . 5.050 2.775 2.327 2.984 . 0 0 "[ . 1]" 1
1758 1 157 SER HB2 1 158 GLU H 4.130 . 4.130 3.111 2.751 4.031 . 0 0 "[ . 1]" 1
1759 1 157 SER HB2 1 159 GLU QG 4.800 . 4.800 4.199 3.716 4.771 . 0 0 "[ . 1]" 1
1760 1 157 SER HB2 1 186 ILE MD 5.410 . 5.410 4.927 4.658 5.269 . 0 0 "[ . 1]" 1
1761 1 157 SER HB3 1 158 GLU H 4.210 . 4.210 2.175 1.867 3.037 . 0 0 "[ . 1]" 1
1762 1 157 SER HB3 1 159 GLU H 4.220 . 4.220 3.491 3.315 3.653 . 0 0 "[ . 1]" 1
1763 1 157 SER HB3 1 186 ILE MG 4.850 . 4.850 3.929 3.299 4.347 . 0 0 "[ . 1]" 1
1764 1 158 GLU H 1 158 GLU QB 3.630 . 3.630 2.539 2.157 2.810 . 0 0 "[ . 1]" 1
1765 1 158 GLU H 1 158 GLU HG2 4.470 . 4.470 2.647 1.810 4.506 0.036 3 0 "[ . 1]" 1
1766 1 158 GLU H 1 158 GLU HG3 4.140 . 4.140 2.948 1.864 4.203 0.063 3 0 "[ . 1]" 1
1767 1 158 GLU H 1 159 GLU H 3.280 . 3.280 2.625 2.277 3.311 0.031 4 0 "[ . 1]" 1
1768 1 158 GLU H 1 161 ALA MB 5.500 . 5.500 4.835 4.167 5.126 . 0 0 "[ . 1]" 1
1769 1 158 GLU H 1 186 ILE MD 4.090 . 4.090 3.265 1.821 4.123 0.033 9 0 "[ . 1]" 1
1770 1 158 GLU H 1 186 ILE MG 3.970 . 3.970 3.734 3.033 4.119 0.149 2 0 "[ . 1]" 1
1771 1 158 GLU HA 1 158 GLU HG2 3.880 . 3.880 3.443 2.735 3.716 . 0 0 "[ . 1]" 1
1772 1 158 GLU HA 1 158 GLU HG3 3.760 . 3.760 3.395 2.505 3.792 0.032 10 0 "[ . 1]" 1
1773 1 158 GLU HA 1 160 GLN QG 5.430 . 5.430 5.821 5.603 6.012 0.582 6 2 "[ .+ -1]" 1
1774 1 158 GLU HA 1 161 ALA H 4.080 . 4.080 3.508 3.121 3.752 . 0 0 "[ . 1]" 1
1775 1 158 GLU HA 1 161 ALA MB 3.810 . 3.810 2.578 2.142 2.846 . 0 0 "[ . 1]" 1
1776 1 158 GLU HA 1 162 PHE H 4.620 . 4.620 3.812 3.553 3.964 . 0 0 "[ . 1]" 1
1777 1 158 GLU HA 1 162 PHE QD 4.720 . 4.720 4.167 3.748 4.738 0.018 3 0 "[ . 1]" 1
1778 1 158 GLU HA 1 186 ILE MD 3.360 . 3.360 2.255 1.857 2.981 . 0 0 "[ . 1]" 1
1779 1 158 GLU QB 1 159 GLU H 3.670 . 3.670 3.248 2.633 3.664 . 0 0 "[ . 1]" 1
1780 1 158 GLU QB 1 159 GLU HA 4.370 . 4.370 4.114 3.648 4.386 0.016 7 0 "[ . 1]" 1
1781 1 158 GLU QB 1 162 PHE H 4.860 . 4.860 4.354 4.053 4.933 0.073 3 0 "[ . 1]" 1
1782 1 158 GLU QB 1 162 PHE QD 4.790 . 4.790 2.673 2.232 3.941 . 0 0 "[ . 1]" 1
1783 1 158 GLU QB 1 186 ILE MD 4.900 . 4.900 3.048 2.131 4.354 . 0 0 "[ . 1]" 1
1784 1 158 GLU HG2 1 159 GLU H 4.830 . 4.830 3.618 2.360 5.015 0.185 2 0 "[ . 1]" 1
1785 1 158 GLU HG2 1 186 ILE MD 4.780 . 4.780 4.117 3.409 4.592 . 0 0 "[ . 1]" 1
1786 1 158 GLU HG2 1 195 TYR HB3 5.450 . 5.450 4.332 3.032 5.414 . 0 0 "[ . 1]" 1
1787 1 158 GLU HG3 1 159 GLU H 4.660 . 4.660 3.344 2.503 4.826 0.166 3 0 "[ . 1]" 1
1788 1 158 GLU HG3 1 162 PHE QD 5.100 . 5.100 3.708 2.428 5.204 0.104 2 0 "[ . 1]" 1
1789 1 158 GLU HG3 1 186 ILE MD 4.660 . 4.660 4.305 2.217 5.018 0.358 6 0 "[ . 1]" 1
1790 1 158 GLU HG3 1 195 TYR HB3 5.010 . 5.010 4.847 4.118 5.244 0.234 7 0 "[ . 1]" 1
1791 1 159 GLU H 1 159 GLU HB2 3.090 . 3.090 2.498 2.421 2.598 . 0 0 "[ . 1]" 1
1792 1 159 GLU H 1 159 GLU QG 3.210 . 3.210 2.325 2.122 3.188 . 0 0 "[ . 1]" 1
1793 1 159 GLU H 1 160 GLN H 3.320 . 3.320 3.048 2.803 3.284 . 0 0 "[ . 1]" 1
1794 1 159 GLU H 1 160 GLN HB2 5.500 . 5.500 5.518 5.233 5.642 0.142 9 0 "[ . 1]" 1
1795 1 159 GLU H 1 161 ALA H 5.020 . 5.020 4.401 4.311 4.507 . 0 0 "[ . 1]" 1
1796 1 159 GLU H 1 162 PHE QD 5.500 . 5.500 4.230 3.794 4.596 . 0 0 "[ . 1]" 1
1797 1 159 GLU H 1 186 ILE MD 5.500 . 5.500 4.718 4.419 5.359 . 0 0 "[ . 1]" 1
1798 1 159 GLU HA 1 159 GLU QG 3.090 . 3.090 2.376 2.330 2.434 . 0 0 "[ . 1]" 1
1799 1 159 GLU HA 1 162 PHE H 4.220 . 4.220 3.641 3.521 3.779 . 0 0 "[ . 1]" 1
1800 1 159 GLU HA 1 162 PHE HB2 3.780 . 3.780 2.658 2.583 2.797 . 0 0 "[ . 1]" 1
1801 1 159 GLU HA 1 162 PHE HB3 4.000 . 4.000 4.026 3.546 4.247 0.247 5 0 "[ . 1]" 1
1802 1 159 GLU HA 1 162 PHE QD 4.210 . 4.210 3.003 2.507 3.222 . 0 0 "[ . 1]" 1
1803 1 159 GLU HB2 1 160 GLN H 3.440 . 3.440 2.418 2.129 3.169 . 0 0 "[ . 1]" 1
1804 1 159 GLU HB3 1 160 GLN H 3.680 . 3.680 3.314 3.011 3.952 0.272 4 0 "[ . 1]" 1
1805 1 159 GLU QG 1 162 PHE QD 4.160 . 4.160 4.141 3.677 4.316 0.156 5 0 "[ . 1]" 1
1806 1 160 GLN H 1 162 PHE H 5.040 . 5.040 4.200 3.221 4.474 . 0 0 "[ . 1]" 1
1807 1 160 GLN H 1 163 ALA H 4.770 . 4.770 4.786 4.619 4.959 0.189 8 0 "[ . 1]" 1
1808 1 160 GLN HA 1 160 GLN QG 3.760 . 3.760 2.798 2.507 3.188 . 0 0 "[ . 1]" 1
1809 1 160 GLN HA 1 163 ALA H 5.500 . 5.500 3.742 3.425 3.941 . 0 0 "[ . 1]" 1
1810 1 160 GLN HA 1 164 MET H 5.500 . 5.500 3.910 3.532 4.533 . 0 0 "[ . 1]" 1
1811 1 160 GLN HB2 1 161 ALA H 4.160 . 4.160 3.809 3.679 3.892 . 0 0 "[ . 1]" 1
1812 1 160 GLN QG 1 164 MET H 4.620 . 4.620 4.232 3.943 4.786 0.166 5 0 "[ . 1]" 1
1813 1 161 ALA H 1 161 ALA MB 3.520 . 3.520 2.207 2.189 2.228 . 0 0 "[ . 1]" 1
1814 1 161 ALA H 1 162 PHE H 3.550 . 3.550 2.752 2.581 2.857 . 0 0 "[ . 1]" 1
1815 1 161 ALA H 1 163 ALA H 4.460 . 4.460 4.396 4.297 4.498 0.038 8 0 "[ . 1]" 1
1816 1 161 ALA H 1 164 MET H 5.090 . 5.090 5.185 5.108 5.292 0.202 6 0 "[ . 1]" 1
1817 1 161 ALA H 1 223 ILE MG 5.500 . 5.500 4.969 4.443 5.249 . 0 0 "[ . 1]" 1
1818 1 161 ALA HA 1 223 ILE MG 4.890 . 4.890 3.539 3.009 4.779 . 0 0 "[ . 1]" 1
1819 1 161 ALA MB 1 162 PHE H 3.860 . 3.860 2.545 2.419 2.741 . 0 0 "[ . 1]" 1
1820 1 162 PHE H 1 162 PHE HB2 4.000 . 4.000 2.181 2.059 2.262 . 0 0 "[ . 1]" 1
1821 1 162 PHE H 1 162 PHE HB3 4.140 . 4.140 3.462 3.227 3.543 . 0 0 "[ . 1]" 1
1822 1 162 PHE H 1 162 PHE QD 4.440 . 4.440 3.515 3.308 3.816 . 0 0 "[ . 1]" 1
1823 1 162 PHE H 1 163 ALA H 3.630 . 3.630 2.634 2.524 2.747 . 0 0 "[ . 1]" 1
1824 1 162 PHE H 1 163 ALA HA 5.500 . 5.500 5.245 5.142 5.334 . 0 0 "[ . 1]" 1
1825 1 162 PHE H 1 163 ALA MB 5.500 . 5.500 4.318 4.228 4.441 . 0 0 "[ . 1]" 1
1826 1 162 PHE H 1 164 MET H 4.370 . 4.370 4.597 3.985 4.747 0.377 3 0 "[ . 1]" 1
1827 1 162 PHE H 1 223 ILE MG 5.500 . 5.500 5.406 5.103 5.643 0.143 4 0 "[ . 1]" 1
1828 1 162 PHE HA 1 162 PHE QD 3.840 . 3.840 2.075 1.860 2.235 . 0 0 "[ . 1]" 1
1829 1 162 PHE HA 1 165 LEU QB 4.800 . 4.800 3.025 2.662 3.424 . 0 0 "[ . 1]" 1
1830 1 162 PHE HA 1 165 LEU MD2 4.070 . 4.070 3.128 2.915 3.305 . 0 0 "[ . 1]" 1
1831 1 162 PHE HB2 1 163 ALA H 4.380 . 4.380 2.762 2.604 2.950 . 0 0 "[ . 1]" 1
1832 1 162 PHE HB2 1 163 ALA MB 5.320 . 5.320 4.200 4.022 4.404 . 0 0 "[ . 1]" 1
1833 1 162 PHE HB3 1 163 ALA H 4.360 . 4.360 3.085 2.495 3.458 . 0 0 "[ . 1]" 1
1834 1 162 PHE HB3 1 163 ALA MB 4.530 . 4.530 4.173 3.574 4.423 . 0 0 "[ . 1]" 1
1835 1 162 PHE QD 1 163 ALA H 5.500 . 5.500 4.491 4.325 4.618 . 0 0 "[ . 1]" 1
1836 1 162 PHE QD 1 165 LEU H 5.500 . 5.500 5.552 5.362 5.698 0.198 2 0 "[ . 1]" 1
1837 1 162 PHE QD 1 165 LEU MD2 5.380 . 5.380 3.198 2.817 3.662 . 0 0 "[ . 1]" 1
1838 1 163 ALA H 1 163 ALA MB 2.820 . 2.820 2.240 2.205 2.255 . 0 0 "[ . 1]" 1
1839 1 163 ALA H 1 164 MET H 3.510 . 3.510 2.954 2.769 3.187 . 0 0 "[ . 1]" 1
1840 1 163 ALA H 1 165 LEU H 5.040 . 5.040 4.126 3.968 4.367 . 0 0 "[ . 1]" 1
1841 1 163 ALA H 1 165 LEU MD2 5.500 . 5.500 5.625 5.508 5.673 0.173 1 0 "[ . 1]" 1
1842 1 163 ALA HA 1 165 LEU H 5.500 . 5.500 4.498 4.391 4.819 . 0 0 "[ . 1]" 1
1843 1 163 ALA HA 1 166 ASP H 3.670 . 3.670 3.472 3.343 3.610 . 0 0 "[ . 1]" 1
1844 1 163 ALA HA 1 166 ASP HB2 2.930 . 2.930 2.507 2.340 2.609 . 0 0 "[ . 1]" 1
1845 1 163 ALA HA 1 166 ASP HB3 2.900 . 2.900 3.003 2.850 3.130 0.230 4 0 "[ . 1]" 1
1846 1 163 ALA MB 1 164 MET H 3.220 . 3.220 2.144 1.880 3.238 0.018 5 0 "[ . 1]" 1
1847 1 163 ALA MB 1 164 MET HB3 3.800 . 3.800 3.868 3.799 4.180 0.380 10 0 "[ . 1]" 1
1848 1 163 ALA MB 1 166 ASP HB3 4.110 . 4.110 4.247 4.161 4.347 0.237 7 0 "[ . 1]" 1
1849 1 164 MET H 1 164 MET HB3 3.880 . 3.880 2.460 2.331 2.945 . 0 0 "[ . 1]" 1
1850 1 164 MET H 1 165 LEU H 4.000 . 4.000 2.956 1.884 3.202 . 0 0 "[ . 1]" 1
1851 1 164 MET H 1 166 ASP H 4.340 . 4.340 4.131 2.718 4.388 0.048 4 0 "[ . 1]" 1
1852 1 164 MET HA 1 167 LEU H 4.100 . 4.100 3.854 3.348 4.122 0.022 2 0 "[ . 1]" 1
1853 1 164 MET HB2 1 165 LEU H 4.530 . 4.530 3.903 3.748 4.060 . 0 0 "[ . 1]" 1
1854 1 164 MET HB3 1 164 MET ME 2.990 . 2.990 2.626 2.258 2.791 . 0 0 "[ . 1]" 1
1855 1 165 LEU H 1 165 LEU MD2 4.630 . 4.630 3.800 3.681 3.906 . 0 0 "[ . 1]" 1
1856 1 165 LEU H 1 166 ASP H 4.240 . 4.240 2.469 2.377 2.556 . 0 0 "[ . 1]" 1
1857 1 165 LEU H 1 167 LEU H 5.500 . 5.500 4.391 3.941 4.596 . 0 0 "[ . 1]" 1
1858 1 165 LEU HA 1 165 LEU MD2 3.420 . 3.420 3.508 3.456 3.554 0.134 5 0 "[ . 1]" 1
1859 1 165 LEU HA 1 168 LEU H 5.500 . 5.500 3.459 3.246 3.703 . 0 0 "[ . 1]" 1
1860 1 165 LEU HA 1 168 LEU HB2 5.180 . 5.180 3.322 2.826 3.634 . 0 0 "[ . 1]" 1
1861 1 165 LEU HA 1 168 LEU MD1 4.520 . 4.520 4.270 3.897 4.551 0.031 7 0 "[ . 1]" 1
1862 1 165 LEU HA 1 168 LEU MD2 4.300 . 4.300 3.416 3.222 3.677 . 0 0 "[ . 1]" 1
1863 1 165 LEU HA 1 168 LEU HG 5.130 . 5.130 5.242 4.819 5.403 0.273 6 0 "[ . 1]" 1
1864 1 165 LEU HA 1 169 LYS QG 4.620 . 4.620 4.100 3.461 4.699 0.079 5 0 "[ . 1]" 1
1865 1 165 LEU QB 1 166 ASP H 4.860 . 4.860 2.803 2.570 2.966 . 0 0 "[ . 1]" 1
1866 1 165 LEU MD2 1 166 ASP H 4.020 . 4.020 2.866 2.768 3.021 . 0 0 "[ . 1]" 1
1867 1 165 LEU MD2 1 166 ASP HA 4.210 . 4.210 2.573 2.417 2.676 . 0 0 "[ . 1]" 1
1868 1 165 LEU MD2 1 167 LEU H 4.740 . 4.740 4.760 4.449 4.918 0.178 5 0 "[ . 1]" 1
1869 1 165 LEU MD2 1 168 LEU H 5.390 . 5.390 5.082 4.442 5.346 . 0 0 "[ . 1]" 1
1870 1 165 LEU MD2 1 169 LYS H 4.320 . 4.320 4.002 3.835 4.169 . 0 0 "[ . 1]" 1
1871 1 165 LEU MD2 1 169 LYS QG 3.410 . 3.410 2.802 2.294 3.307 . 0 0 "[ . 1]" 1
1872 1 165 LEU MD2 1 170 THR H 5.500 . 5.500 5.513 5.451 5.568 0.068 3 0 "[ . 1]" 1
1873 1 166 ASP H 1 166 ASP HB2 2.940 . 2.940 2.233 2.132 2.306 . 0 0 "[ . 1]" 1
1874 1 166 ASP H 1 166 ASP HB3 3.090 . 3.090 2.873 2.775 2.950 . 0 0 "[ . 1]" 1
1875 1 166 ASP H 1 167 LEU H 3.570 . 3.570 2.844 2.633 2.977 . 0 0 "[ . 1]" 1
1876 1 166 ASP H 1 169 LYS QG 5.500 . 5.500 4.751 4.197 5.227 . 0 0 "[ . 1]" 1
1877 1 166 ASP HB2 1 167 LEU H 3.450 . 3.450 3.211 2.999 3.628 0.178 6 0 "[ . 1]" 1
1878 1 166 ASP HB3 1 167 LEU H 3.520 . 3.520 1.999 1.774 2.722 0.026 5 0 "[ . 1]" 1
1879 1 166 ASP HB3 1 167 LEU QB 3.760 . 3.760 3.027 2.923 3.283 . 0 0 "[ . 1]" 1
1880 1 167 LEU H 1 167 LEU QB 3.350 . 3.350 2.004 1.851 2.202 . 0 0 "[ . 1]" 1
1881 1 167 LEU H 1 167 LEU HG 3.440 . 3.440 2.773 2.280 3.917 0.477 1 0 "[ . 1]" 1
1882 1 167 LEU H 1 168 LEU H 4.130 . 4.130 2.690 2.311 2.878 . 0 0 "[ . 1]" 1
1883 1 167 LEU H 1 168 LEU HA 5.500 . 5.500 5.207 4.830 5.371 . 0 0 "[ . 1]" 1
1884 1 167 LEU H 1 168 LEU HB2 5.120 . 5.120 5.017 4.467 5.172 0.052 10 0 "[ . 1]" 1
1885 1 167 LEU HA 1 170 THR H 3.930 . 3.930 3.386 3.133 3.650 . 0 0 "[ . 1]" 1
1886 1 167 LEU HA 1 170 THR MG 4.440 . 4.440 3.630 1.810 4.394 . 0 0 "[ . 1]" 1
1887 1 167 LEU QB 1 168 LEU H 3.970 . 3.970 3.204 2.195 3.711 . 0 0 "[ . 1]" 1
1888 1 167 LEU QB 1 168 LEU HA 4.710 . 4.710 4.629 4.360 4.719 0.009 4 0 "[ . 1]" 1
1889 1 167 LEU QD 1 168 LEU HA 4.220 . 4.220 2.820 2.533 3.671 . 0 0 "[ . 1]" 1
1890 1 167 LEU QD 1 168 LEU MD1 3.790 . 3.790 3.763 3.422 4.050 0.260 6 0 "[ . 1]" 1
1891 1 167 LEU HG 1 168 LEU H 4.360 . 4.360 2.178 1.859 3.043 . 0 0 "[ . 1]" 1
1892 1 168 LEU H 1 168 LEU MD1 4.520 . 4.520 4.149 3.989 4.370 . 0 0 "[ . 1]" 1
1893 1 168 LEU H 1 168 LEU MD2 4.550 . 4.550 4.329 4.237 4.434 . 0 0 "[ . 1]" 1
1894 1 168 LEU H 1 168 LEU HG 4.660 . 4.660 4.424 4.349 4.487 . 0 0 "[ . 1]" 1
1895 1 168 LEU H 1 170 THR H 5.160 . 5.160 4.136 3.290 4.408 . 0 0 "[ . 1]" 1
1896 1 168 LEU HA 1 168 LEU MD1 3.280 . 3.280 2.920 2.310 3.219 . 0 0 "[ . 1]" 1
1897 1 168 LEU HA 1 168 LEU MD2 4.320 . 4.320 3.725 3.599 3.865 . 0 0 "[ . 1]" 1
1898 1 168 LEU HA 1 168 LEU HG 4.170 . 4.170 2.490 2.347 2.679 . 0 0 "[ . 1]" 1
1899 1 168 LEU HB2 1 169 LYS H 4.310 . 4.310 3.860 3.734 3.942 . 0 0 "[ . 1]" 1
1900 1 168 LEU MD1 1 169 LYS HA 5.500 . 5.500 5.368 5.071 5.551 0.051 1 0 "[ . 1]" 1
1901 1 168 LEU MD1 1 174 MET ME 3.420 . 3.420 3.210 2.886 3.499 0.079 10 0 "[ . 1]" 1
1902 1 168 LEU MD1 1 225 VAL MG1 4.860 . 4.860 4.050 3.776 4.388 . 0 0 "[ . 1]" 1
1903 1 168 LEU MD1 1 225 VAL MG2 4.400 . 4.400 3.968 3.646 4.444 0.044 5 0 "[ . 1]" 1
1904 1 168 LEU MD2 1 169 LYS H 4.710 . 4.710 3.444 3.219 3.662 . 0 0 "[ . 1]" 1
1905 1 168 LEU MD2 1 169 LYS HA 5.500 . 5.500 3.244 2.850 3.891 . 0 0 "[ . 1]" 1
1906 1 168 LEU MD2 1 170 THR H 5.500 . 5.500 5.288 4.994 5.499 . 0 0 "[ . 1]" 1
1907 1 168 LEU MD2 1 174 MET H 5.500 . 5.500 5.572 5.125 5.754 0.254 5 0 "[ . 1]" 1
1908 1 168 LEU MD2 1 174 MET ME 3.350 . 3.350 2.731 2.171 3.455 0.105 7 0 "[ . 1]" 1
1909 1 168 LEU MD2 1 180 VAL MG1 5.500 . 5.500 4.676 4.307 5.040 . 0 0 "[ . 1]" 1
1910 1 168 LEU MD2 1 180 VAL MG2 4.310 . 4.310 4.457 4.275 4.568 0.258 9 0 "[ . 1]" 1
1911 1 168 LEU MD2 1 225 VAL H 4.810 . 4.810 4.803 4.152 5.020 0.210 9 0 "[ . 1]" 1
1912 1 168 LEU MD2 1 225 VAL HB 4.790 . 4.790 2.861 2.604 2.962 . 0 0 "[ . 1]" 1
1913 1 168 LEU MD2 1 225 VAL MG1 3.390 . 3.390 2.145 1.976 2.466 . 0 0 "[ . 1]" 1
1914 1 168 LEU MD2 1 225 VAL MG2 3.280 . 3.280 2.050 1.864 2.419 . 0 0 "[ . 1]" 1
1915 1 168 LEU HG 1 174 MET ME 4.420 . 4.420 3.427 2.890 3.943 . 0 0 "[ . 1]" 1
1916 1 168 LEU HG 1 174 MET HG2 4.770 . 4.770 3.541 2.935 4.217 . 0 0 "[ . 1]" 1
1917 1 169 LYS H 1 170 THR H 3.870 . 3.870 2.626 2.508 2.752 . 0 0 "[ . 1]" 1
1918 1 169 LYS H 1 171 ASP H 4.260 . 4.260 3.955 3.813 4.235 . 0 0 "[ . 1]" 1
1919 1 169 LYS HA 1 171 ASP H 4.840 . 4.840 3.653 3.349 3.859 . 0 0 "[ . 1]" 1
1920 1 169 LYS QB 1 170 THR H 5.500 . 5.500 3.220 2.593 3.785 . 0 0 "[ . 1]" 1
1921 1 170 THR H 1 170 THR HB 3.760 . 3.760 3.465 2.794 3.676 . 0 0 "[ . 1]" 1
1922 1 170 THR H 1 170 THR MG 3.290 . 3.290 2.619 2.029 2.894 . 0 0 "[ . 1]" 1
1923 1 170 THR H 1 171 ASP H 3.730 . 3.730 2.414 2.092 2.640 . 0 0 "[ . 1]" 1
1924 1 170 THR HA 1 170 THR HB 2.900 . 2.900 2.533 2.475 2.570 . 0 0 "[ . 1]" 1
1925 1 170 THR HA 1 170 THR MG 3.240 . 3.240 2.468 2.250 3.213 . 0 0 "[ . 1]" 1
1926 1 170 THR HA 1 175 ARG QD 4.240 . 4.240 3.196 2.119 4.400 0.160 2 0 "[ . 1]" 1
1927 1 170 THR HB 1 175 ARG QD 4.990 . 4.990 4.645 4.114 5.038 0.048 8 0 "[ . 1]" 1
1928 1 170 THR MG 1 171 ASP H 5.010 . 5.010 4.067 3.032 4.433 . 0 0 "[ . 1]" 1
1929 1 171 ASP H 1 173 LYS H 5.500 . 5.500 5.235 4.918 5.476 . 0 0 "[ . 1]" 1
1930 1 171 ASP H 1 174 MET H 5.410 . 5.410 4.421 3.948 4.800 . 0 0 "[ . 1]" 1
1931 1 171 ASP H 1 174 MET HB3 4.710 . 4.710 3.954 3.625 4.365 . 0 0 "[ . 1]" 1
1932 1 171 ASP H 1 175 ARG QG 5.500 . 5.500 5.336 3.858 5.808 0.308 7 0 "[ . 1]" 1
1933 1 171 ASP HB2 1 172 SER H 5.500 . 5.500 4.109 3.914 4.239 . 0 0 "[ . 1]" 1
1934 1 171 ASP HB2 1 174 MET H 5.010 . 5.010 4.323 3.786 4.708 . 0 0 "[ . 1]" 1
1935 1 171 ASP HB2 1 174 MET HB3 5.020 . 5.020 5.037 4.390 5.326 0.306 5 0 "[ . 1]" 1
1936 1 171 ASP HB3 1 173 LYS H 5.480 . 5.480 3.103 2.716 3.567 . 0 0 "[ . 1]" 1
1937 1 171 ASP HB3 1 173 LYS HG2 3.910 . 3.910 3.207 2.509 3.968 0.058 2 0 "[ . 1]" 1
1938 1 171 ASP HB3 1 173 LYS HG3 3.930 . 3.930 3.778 3.370 4.223 0.293 2 0 "[ . 1]" 1
1939 1 171 ASP HB3 1 174 MET HB3 4.870 . 4.870 3.916 2.857 4.855 . 0 0 "[ . 1]" 1
1940 1 172 SER QB 1 173 LYS H 3.640 . 3.640 3.312 2.875 3.640 0.000 10 0 "[ . 1]" 1
1941 1 172 SER QB 1 175 ARG QB 3.750 . 3.750 3.593 3.244 3.954 0.204 2 0 "[ . 1]" 1
1942 1 172 SER QB 1 175 ARG QD 4.040 . 4.040 4.297 3.758 4.574 0.534 3 1 "[ + . 1]" 1
1943 1 173 LYS H 1 173 LYS HG2 4.970 . 4.970 2.255 2.000 2.948 . 0 0 "[ . 1]" 1
1944 1 173 LYS H 1 173 LYS HG3 5.190 . 5.190 3.394 3.088 3.800 . 0 0 "[ . 1]" 1
1945 1 173 LYS H 1 174 MET H 4.120 . 4.120 2.716 2.524 2.980 . 0 0 "[ . 1]" 1
1946 1 173 LYS H 1 175 ARG H 4.860 . 4.860 3.688 3.533 3.940 . 0 0 "[ . 1]" 1
1947 1 173 LYS H 1 176 LYS H 5.160 . 5.160 5.083 4.854 5.228 0.068 10 0 "[ . 1]" 1
1948 1 173 LYS H 1 176 LYS HG2 5.000 . 5.000 4.925 4.501 5.273 0.273 10 0 "[ . 1]" 1
1949 1 173 LYS HA 1 173 LYS HG2 3.970 . 3.970 3.533 2.932 3.836 . 0 0 "[ . 1]" 1
1950 1 173 LYS HA 1 173 LYS HG3 4.210 . 4.210 3.846 3.707 4.280 0.070 5 0 "[ . 1]" 1
1951 1 173 LYS HA 1 176 LYS H 4.560 . 4.560 3.807 3.437 4.396 . 0 0 "[ . 1]" 1
1952 1 173 LYS HG2 1 174 MET H 5.220 . 5.220 3.051 1.765 4.084 0.035 5 0 "[ . 1]" 1
1953 1 173 LYS HG3 1 174 MET H 5.410 . 5.410 3.080 2.060 4.513 . 0 0 "[ . 1]" 1
1954 1 174 MET H 1 174 MET HB3 4.040 . 4.040 2.950 2.528 3.540 . 0 0 "[ . 1]" 1
1955 1 174 MET H 1 174 MET ME 3.690 . 3.690 3.824 3.700 3.945 0.255 4 0 "[ . 1]" 1
1956 1 174 MET H 1 176 LYS H 5.030 . 5.030 4.147 3.913 4.747 . 0 0 "[ . 1]" 1
1957 1 174 MET H 1 180 VAL MG1 5.500 . 5.500 5.352 4.861 5.626 0.126 9 0 "[ . 1]" 1
1958 1 174 MET HA 1 174 MET ME 3.720 . 3.720 2.791 1.940 3.714 . 0 0 "[ . 1]" 1
1959 1 174 MET HA 1 177 ALA H 4.050 . 4.050 3.793 3.226 4.104 0.054 9 0 "[ . 1]" 1
1960 1 174 MET HA 1 177 ALA MB 4.480 . 4.480 3.439 1.999 4.107 . 0 0 "[ . 1]" 1
1961 1 174 MET HA 1 180 VAL MG1 4.260 . 4.260 3.620 2.891 4.039 . 0 0 "[ . 1]" 1
1962 1 174 MET ME 1 177 ALA MB 4.480 . 4.480 4.210 3.606 4.503 0.023 2 0 "[ . 1]" 1
1963 1 175 ARG H 1 175 ARG QB 3.660 . 3.660 2.106 1.960 2.381 . 0 0 "[ . 1]" 1
1964 1 175 ARG H 1 175 ARG QD 4.130 . 4.130 3.212 2.660 4.086 . 0 0 "[ . 1]" 1
1965 1 175 ARG H 1 175 ARG QG 3.670 . 3.670 3.546 2.376 3.903 0.233 1 0 "[ . 1]" 1
1966 1 175 ARG H 1 176 LYS H 4.050 . 4.050 2.558 2.459 2.676 . 0 0 "[ . 1]" 1
1967 1 175 ARG H 1 176 LYS HG2 4.680 . 4.680 3.983 3.592 4.634 . 0 0 "[ . 1]" 1
1968 1 175 ARG H 1 177 ALA H 4.830 . 4.830 4.321 4.030 4.591 . 0 0 "[ . 1]" 1
1969 1 175 ARG HA 1 175 ARG QD 3.400 . 3.400 2.737 2.214 3.956 0.556 9 1 "[ . +1]" 1
1970 1 175 ARG HA 1 175 ARG QG 3.540 . 3.540 2.328 2.136 2.412 . 0 0 "[ . 1]" 1
1971 1 175 ARG HA 1 177 ALA H 4.980 . 4.980 3.942 3.278 5.181 0.201 4 0 "[ . 1]" 1
1972 1 175 ARG QD 1 176 LYS H 4.610 . 4.610 4.736 4.475 4.929 0.319 2 0 "[ . 1]" 1
1973 1 176 LYS H 1 176 LYS HB2 4.200 . 4.200 2.797 2.401 3.656 . 0 0 "[ . 1]" 1
1974 1 176 LYS H 1 176 LYS HG2 4.110 . 4.110 2.302 1.662 2.865 0.138 4 0 "[ . 1]" 1
1975 1 176 LYS H 1 176 LYS HG3 4.020 . 4.020 3.017 2.017 3.748 . 0 0 "[ . 1]" 1
1976 1 176 LYS H 1 177 ALA H 3.730 . 3.730 2.539 2.200 2.730 . 0 0 "[ . 1]" 1
1977 1 176 LYS H 1 177 ALA MB 4.230 . 4.230 4.080 3.757 4.274 0.044 7 0 "[ . 1]" 1
1978 1 176 LYS H 1 229 TRP HE1 5.040 . 5.040 5.031 4.401 5.222 0.182 7 0 "[ . 1]" 1
1979 1 176 LYS HA 1 176 LYS HG2 3.350 . 3.350 3.017 2.581 3.624 0.274 5 0 "[ . 1]" 1
1980 1 176 LYS HA 1 176 LYS HG3 3.850 . 3.850 3.697 3.422 3.901 0.051 4 0 "[ . 1]" 1
1981 1 176 LYS HA 1 229 TRP HE1 4.770 . 4.770 4.679 4.288 5.519 0.749 8 1 "[ . + 1]" 1
1982 1 176 LYS HB2 1 177 ALA MB 4.420 . 4.420 4.296 4.015 4.791 0.371 5 0 "[ . 1]" 1
1983 1 176 LYS HB3 1 229 TRP HE1 5.130 . 5.130 3.383 2.191 5.134 0.004 8 0 "[ . 1]" 1
1984 1 176 LYS HG2 1 177 ALA H 4.650 . 4.650 4.295 2.714 5.002 0.352 1 0 "[ . 1]" 1
1985 1 176 LYS HG2 1 229 TRP HE1 5.390 . 5.390 5.125 3.961 5.507 0.117 8 0 "[ . 1]" 1
1986 1 176 LYS HG3 1 177 ALA H 4.830 . 4.830 4.442 1.889 5.387 0.557 2 1 "[ + . 1]" 1
1987 1 176 LYS HG3 1 229 TRP HE1 5.500 . 5.500 4.399 2.342 5.674 0.174 8 0 "[ . 1]" 1
1988 1 177 ALA H 1 177 ALA MB 3.060 . 3.060 2.211 2.160 2.368 . 0 0 "[ . 1]" 1
1989 1 177 ALA H 1 178 ASN H 4.810 . 4.810 4.486 4.300 4.567 . 0 0 "[ . 1]" 1
1990 1 177 ALA H 1 180 VAL MG1 5.500 . 5.500 4.110 3.444 5.567 0.067 4 0 "[ . 1]" 1
1991 1 177 ALA H 1 229 TRP HE1 4.370 . 4.370 4.072 3.013 4.398 0.028 3 0 "[ . 1]" 1
1992 1 177 ALA HA 1 229 TRP HE1 4.940 . 4.940 3.174 2.169 3.855 . 0 0 "[ . 1]" 1
1993 1 177 ALA HA 1 229 TRP HH2 4.960 . 4.960 5.044 4.665 5.577 0.617 8 1 "[ . + 1]" 1
1994 1 177 ALA MB 1 178 ASN H 3.770 . 3.770 2.425 2.064 3.319 . 0 0 "[ . 1]" 1
1995 1 177 ALA MB 1 179 HIS H 4.680 . 4.680 3.067 2.743 3.871 . 0 0 "[ . 1]" 1
1996 1 177 ALA MB 1 180 VAL MG1 3.080 . 3.080 2.338 1.931 3.082 0.002 5 0 "[ . 1]" 1
1997 1 177 ALA MB 1 227 ALA HA 4.590 . 4.590 3.956 3.513 4.583 . 0 0 "[ . 1]" 1
1998 1 177 ALA MB 1 227 ALA MB 3.910 . 3.910 2.408 1.922 3.041 . 0 0 "[ . 1]" 1
1999 1 177 ALA MB 1 228 ARG H 5.500 . 5.500 3.264 2.425 4.257 . 0 0 "[ . 1]" 1
2000 1 177 ALA MB 1 229 TRP HE1 4.350 . 4.350 3.800 1.721 4.424 0.079 8 0 "[ . 1]" 1
2001 1 178 ASN H 1 179 HIS H 3.510 . 3.510 2.660 2.313 3.019 . 0 0 "[ . 1]" 1
2002 1 178 ASN H 1 179 HIS HA 5.500 . 5.500 5.035 4.848 5.334 . 0 0 "[ . 1]" 1
2003 1 178 ASN H 1 229 TRP HE1 5.500 . 5.500 5.285 4.536 5.671 0.171 7 0 "[ . 1]" 1
2004 1 178 ASN HB3 1 179 HIS H 5.040 . 5.040 2.545 2.233 4.102 . 0 0 "[ . 1]" 1
2005 1 178 ASN HB3 1 179 HIS HD2 5.350 . 5.350 4.198 3.337 5.428 0.078 2 0 "[ . 1]" 1
2006 1 179 HIS H 1 180 VAL H 5.160 . 5.160 4.220 4.015 4.318 . 0 0 "[ . 1]" 1
2007 1 179 HIS H 1 180 VAL MG1 4.230 . 4.230 3.866 3.724 3.996 . 0 0 "[ . 1]" 1
2008 1 179 HIS H 1 227 ALA HA 4.780 . 4.780 4.816 4.742 4.984 0.204 4 0 "[ . 1]" 1
2009 1 179 HIS H 1 228 ARG H 5.240 . 5.240 3.505 3.193 4.208 . 0 0 "[ . 1]" 1
2010 1 179 HIS HB3 1 203 GLU H 5.500 . 5.500 4.346 3.135 5.614 0.114 5 0 "[ . 1]" 1
2011 1 180 VAL H 1 180 VAL MG1 3.850 . 3.850 2.710 2.527 2.828 . 0 0 "[ . 1]" 1
2012 1 180 VAL H 1 181 MET H 5.500 . 5.500 4.441 4.395 4.477 . 0 0 "[ . 1]" 1
2013 1 180 VAL H 1 181 MET ME 5.440 . 5.440 4.500 3.888 5.142 . 0 0 "[ . 1]" 1
2014 1 180 VAL H 1 201 ASP QB 5.110 . 5.110 4.584 3.896 5.141 0.031 8 0 "[ . 1]" 1
2015 1 180 VAL H 1 203 GLU H 5.500 . 5.500 4.923 4.258 5.530 0.030 2 0 "[ . 1]" 1
2016 1 180 VAL HA 1 180 VAL MG1 3.680 . 3.680 2.429 2.335 2.475 . 0 0 "[ . 1]" 1
2017 1 180 VAL HA 1 181 MET ME 4.020 . 4.020 3.119 2.307 3.607 . 0 0 "[ . 1]" 1
2018 1 180 VAL HA 1 227 ALA HA 4.350 . 4.350 2.393 2.269 2.729 . 0 0 "[ . 1]" 1
2019 1 180 VAL MG1 1 227 ALA HA 4.170 . 4.170 2.857 2.558 3.182 . 0 0 "[ . 1]" 1
2020 1 180 VAL MG2 1 181 MET H 4.730 . 4.730 3.526 3.438 3.689 . 0 0 "[ . 1]" 1
2021 1 180 VAL MG2 1 181 MET ME 5.500 . 5.500 4.865 4.378 5.280 . 0 0 "[ . 1]" 1
2022 1 181 MET H 1 181 MET ME 3.460 . 3.460 3.017 2.186 3.335 . 0 0 "[ . 1]" 1
2023 1 181 MET H 1 182 SER H 5.500 . 5.500 4.453 4.392 4.563 . 0 0 "[ . 1]" 1
2024 1 181 MET H 1 226 VAL HB 4.340 . 4.340 3.798 3.654 3.896 . 0 0 "[ . 1]" 1
2025 1 181 MET H 1 227 ALA H 5.500 . 5.500 4.851 4.726 4.949 . 0 0 "[ . 1]" 1
2026 1 181 MET H 1 227 ALA HA 5.020 . 5.020 3.509 3.235 3.684 . 0 0 "[ . 1]" 1
2027 1 181 MET H 1 228 ARG H 5.500 . 5.500 5.415 5.111 5.645 0.145 9 0 "[ . 1]" 1
2028 1 181 MET HA 1 225 VAL MG1 5.160 . 5.160 4.954 4.766 5.053 . 0 0 "[ . 1]" 1
2029 1 181 MET HB2 1 182 SER H 5.180 . 5.180 2.744 2.294 2.999 . 0 0 "[ . 1]" 1
2030 1 181 MET HB3 1 181 MET ME 2.560 . 2.560 2.057 1.959 2.275 . 0 0 "[ . 1]" 1
2031 1 181 MET HB3 1 182 SER H 4.720 . 4.720 3.969 3.761 4.221 . 0 0 "[ . 1]" 1
2032 1 181 MET HB3 1 226 VAL H 5.040 . 5.040 5.110 4.962 5.243 0.203 3 0 "[ . 1]" 1
2033 1 181 MET ME 1 181 MET QG 3.200 . 3.200 2.425 2.375 2.535 . 0 0 "[ . 1]" 1
2034 1 181 MET ME 1 203 GLU H 4.190 . 4.190 3.794 2.848 4.346 0.156 9 0 "[ . 1]" 1
2035 1 181 MET ME 1 206 ALA MB 4.000 . 6.000 2.827 2.323 3.288 . 0 0 "[ . 1]" 1
2036 1 181 MET ME 1 226 VAL HB 5.500 . 5.500 3.683 3.385 4.127 . 0 0 "[ . 1]" 1
2037 1 181 MET ME 1 226 VAL MG1 3.540 . 3.540 2.724 2.228 3.579 0.039 3 0 "[ . 1]" 1
2038 1 181 MET ME 1 227 ALA HA 3.630 . 3.630 3.319 2.463 3.720 0.090 2 0 "[ . 1]" 1
2039 1 181 MET ME 1 228 ARG H 3.810 . 3.810 3.891 3.395 4.020 0.210 1 0 "[ . 1]" 1
2040 1 181 MET QG 1 225 VAL MG1 5.420 . 5.420 4.295 3.901 4.687 . 0 0 "[ . 1]" 1
2041 1 181 MET QG 1 226 VAL HA 4.650 . 4.650 4.146 3.847 4.686 0.036 2 0 "[ . 1]" 1
2042 1 182 SER H 1 206 ALA MB 4.000 . 6.000 5.154 3.984 5.720 . 0 0 "[ . 1]" 1
2043 1 182 SER H 1 210 MET ME 5.500 . 5.500 3.967 2.530 4.763 . 0 0 "[ . 1]" 1
2044 1 182 SER H 1 225 VAL MG2 5.430 . 5.430 4.800 4.555 5.026 . 0 0 "[ . 1]" 1
2045 1 182 SER HA 1 210 MET ME 3.370 . 3.370 2.838 2.279 3.390 0.020 2 0 "[ . 1]" 1
2046 1 182 SER HA 1 224 VAL H 5.200 . 5.200 4.920 4.734 5.264 0.064 5 0 "[ . 1]" 1
2047 1 182 SER HA 1 225 VAL HA 4.110 . 4.110 2.195 2.128 2.310 . 0 0 "[ . 1]" 1
2048 1 182 SER HA 1 225 VAL MG1 4.670 . 4.670 3.743 3.620 3.930 . 0 0 "[ . 1]" 1
2049 1 182 SER HA 1 225 VAL MG2 4.130 . 4.130 2.865 2.543 3.276 . 0 0 "[ . 1]" 1
2050 1 182 SER HA 1 226 VAL H 4.710 . 4.710 3.207 2.957 3.343 . 0 0 "[ . 1]" 1
2051 1 182 SER HB2 1 183 ALA H 5.290 . 5.290 3.578 2.750 4.002 . 0 0 "[ . 1]" 1
2052 1 182 SER HB2 1 225 VAL HA 4.920 . 4.920 4.051 2.996 4.810 . 0 0 "[ . 1]" 1
2053 1 182 SER HB2 1 225 VAL MG2 3.200 . 3.200 2.842 2.169 3.383 0.183 6 0 "[ . 1]" 1
2054 1 182 SER HB3 1 225 VAL HA 5.240 . 5.240 3.948 3.249 5.057 . 0 0 "[ . 1]" 1
2055 1 182 SER HB3 1 225 VAL MG2 4.220 . 4.220 2.737 2.007 4.074 . 0 0 "[ . 1]" 1
2056 1 183 ALA H 1 184 TRP H 5.470 . 5.470 4.299 4.066 4.569 . 0 0 "[ . 1]" 1
2057 1 183 ALA H 1 210 MET ME 5.500 . 5.500 3.117 2.302 3.804 . 0 0 "[ . 1]" 1
2058 1 183 ALA H 1 223 ILE MG 5.040 . 5.040 5.094 4.951 5.211 0.171 3 0 "[ . 1]" 1
2059 1 183 ALA H 1 224 VAL H 5.030 . 5.030 3.163 2.940 3.587 . 0 0 "[ . 1]" 1
2060 1 183 ALA H 1 224 VAL MG1 4.600 . 4.600 3.137 2.606 3.508 . 0 0 "[ . 1]" 1
2061 1 183 ALA H 1 225 VAL HA 4.850 . 4.850 3.496 3.299 3.647 . 0 0 "[ . 1]" 1
2062 1 183 ALA H 1 225 VAL MG2 4.180 . 4.180 3.626 3.313 3.957 . 0 0 "[ . 1]" 1
2063 1 183 ALA HA 1 184 TRP HB3 5.280 . 5.280 4.688 4.297 5.539 0.259 2 0 "[ . 1]" 1
2064 1 183 ALA MB 1 184 TRP H 3.810 . 3.810 2.955 2.719 3.206 . 0 0 "[ . 1]" 1
2065 1 183 ALA MB 1 211 LEU H 4.560 . 4.560 3.919 3.491 4.296 . 0 0 "[ . 1]" 1
2066 1 183 ALA MB 1 211 LEU HA 3.700 . 3.700 3.027 2.732 3.368 . 0 0 "[ . 1]" 1
2067 1 183 ALA MB 1 211 LEU MD1 3.650 . 3.650 3.473 3.085 3.760 0.110 5 0 "[ . 1]" 1
2068 1 183 ALA MB 1 211 LEU MD2 3.850 . 3.850 2.454 2.064 2.956 . 0 0 "[ . 1]" 1
2069 1 184 TRP H 1 211 LEU MD1 5.310 . 5.310 3.729 2.718 4.284 . 0 0 "[ . 1]" 1
2070 1 184 TRP H 1 211 LEU MD2 4.050 . 4.050 2.932 2.240 3.896 . 0 0 "[ . 1]" 1
2071 1 184 TRP HA 1 214 ILE MD 4.100 . 4.100 3.752 2.762 4.110 0.010 9 0 "[ . 1]" 1
2072 1 184 TRP HA 1 224 VAL H 4.530 . 4.530 3.959 3.544 4.598 0.068 4 0 "[ . 1]" 1
2073 1 184 TRP HB2 1 185 ARG H 5.310 . 5.310 3.113 2.267 4.348 . 0 0 "[ . 1]" 1
2074 1 184 TRP HB3 1 185 ARG H 5.090 . 5.090 3.785 2.843 4.234 . 0 0 "[ . 1]" 1
2075 1 185 ARG H 1 186 ILE H 5.500 . 5.500 4.063 3.847 4.236 . 0 0 "[ . 1]" 1
2076 1 185 ARG H 1 186 ILE MD 4.130 . 4.130 3.893 3.102 4.396 0.266 1 0 "[ . 1]" 1
2077 1 185 ARG H 1 214 ILE MD 4.090 . 4.090 4.028 3.773 4.221 0.131 6 0 "[ . 1]" 1
2078 1 185 ARG HA 1 186 ILE HB 5.200 . 5.200 4.682 4.357 5.007 . 0 0 "[ . 1]" 1
2079 1 185 ARG HB2 1 186 ILE H 5.270 . 5.270 4.194 2.894 4.480 . 0 0 "[ . 1]" 1
2080 1 185 ARG HB2 1 220 TRP HD1 5.000 . 5.000 4.874 4.440 5.212 0.212 3 0 "[ . 1]" 1
2081 1 185 ARG HG3 1 186 ILE MG 5.500 . 5.500 5.638 5.416 5.827 0.327 3 0 "[ . 1]" 1
2082 1 185 ARG HG3 1 187 LYS H 5.500 . 5.500 5.054 4.652 5.580 0.080 8 0 "[ . 1]" 1
2083 1 185 ARG HG3 1 221 ASN H 5.500 . 5.500 4.189 2.988 5.430 . 0 0 "[ . 1]" 1
2084 1 186 ILE H 1 186 ILE MD 4.060 . 4.060 3.724 3.512 3.994 . 0 0 "[ . 1]" 1
2085 1 186 ILE H 1 186 ILE MG 4.240 . 4.240 3.883 3.814 3.974 . 0 0 "[ . 1]" 1
2086 1 186 ILE H 1 187 LYS H 5.050 . 5.050 4.325 4.190 4.536 . 0 0 "[ . 1]" 1
2087 1 186 ILE H 1 194 THR HB 4.560 . 4.560 4.374 3.861 4.706 0.146 2 0 "[ . 1]" 1
2088 1 186 ILE H 1 195 TYR H 3.860 . 3.860 3.186 2.649 3.849 . 0 0 "[ . 1]" 1
2089 1 186 ILE H 1 195 TYR HB2 5.360 . 5.360 4.273 3.038 5.447 0.087 7 0 "[ . 1]" 1
2090 1 186 ILE H 1 196 GLN H 5.500 . 5.500 5.376 4.944 5.765 0.265 5 0 "[ . 1]" 1
2091 1 186 ILE H 1 220 TRP HD1 5.160 . 5.160 4.677 4.148 5.211 0.051 9 0 "[ . 1]" 1
2092 1 186 ILE H 1 221 ASN H 5.500 . 5.500 4.832 4.450 5.508 0.008 9 0 "[ . 1]" 1
2093 1 186 ILE HA 1 220 TRP HD1 4.850 . 4.850 4.703 3.185 5.136 0.286 6 0 "[ . 1]" 1
2094 1 186 ILE HA 1 221 ASN H 4.850 . 4.850 2.947 2.252 3.684 . 0 0 "[ . 1]" 1
2095 1 186 ILE HB 1 186 ILE MD 3.710 . 3.710 2.789 2.282 3.253 . 0 0 "[ . 1]" 1
2096 1 186 ILE HB 1 194 THR HB 4.650 . 4.650 4.665 4.275 4.877 0.227 3 0 "[ . 1]" 1
2097 1 186 ILE HB 1 194 THR MG 5.000 . 5.000 4.718 4.303 5.013 0.013 7 0 "[ . 1]" 1
2098 1 186 ILE HB 1 195 TYR H 5.140 . 5.140 2.291 1.906 3.581 . 0 0 "[ . 1]" 1
2099 1 186 ILE HB 1 195 TYR HB2 4.540 . 4.540 2.672 1.949 3.751 . 0 0 "[ . 1]" 1
2100 1 186 ILE HB 1 195 TYR HB3 4.270 . 4.270 3.975 3.278 4.465 0.195 6 0 "[ . 1]" 1
2101 1 186 ILE MD 1 186 ILE MG 3.020 . 3.020 2.078 1.929 2.314 . 0 0 "[ . 1]" 1
2102 1 186 ILE MG 1 187 LYS H 3.840 . 3.840 2.554 2.123 2.880 . 0 0 "[ . 1]" 1
2103 1 186 ILE MG 1 187 LYS HA 3.910 . 3.910 3.593 3.338 3.898 . 0 0 "[ . 1]" 1
2104 1 186 ILE MG 1 188 GLN H 4.250 . 4.250 4.063 3.460 4.296 0.046 3 0 "[ . 1]" 1
2105 1 186 ILE MG 1 188 GLN HA 4.260 . 4.260 4.265 4.047 4.372 0.112 6 0 "[ . 1]" 1
2106 1 186 ILE MG 1 188 GLN HB2 5.500 . 5.500 5.326 3.417 5.724 0.224 3 0 "[ . 1]" 1
2107 1 186 ILE MG 1 194 THR H 5.500 . 5.500 5.498 4.160 5.704 0.204 3 0 "[ . 1]" 1
2108 1 186 ILE MG 1 194 THR HB 5.500 . 5.500 5.046 4.639 5.351 . 0 0 "[ . 1]" 1
2109 1 186 ILE MG 1 195 TYR HB2 4.420 . 4.420 3.614 3.097 4.121 . 0 0 "[ . 1]" 1
2110 1 186 ILE MG 1 221 ASN H 5.500 . 5.500 4.499 3.986 5.032 . 0 0 "[ . 1]" 1
2111 1 187 LYS H 1 187 LYS HB2 4.160 . 4.160 3.032 2.661 3.346 . 0 0 "[ . 1]" 1
2112 1 187 LYS H 1 188 GLN H 4.710 . 4.710 4.145 3.815 4.370 . 0 0 "[ . 1]" 1
2113 1 187 LYS H 1 189 ASP H 5.500 . 5.500 5.556 5.133 5.894 0.394 5 0 "[ . 1]" 1
2114 1 187 LYS H 1 220 TRP HD1 5.500 . 5.500 4.301 2.194 5.115 . 0 0 "[ . 1]" 1
2115 1 187 LYS H 1 221 ASN H 4.660 . 4.660 3.079 2.467 3.715 . 0 0 "[ . 1]" 1
2116 1 187 LYS H 1 221 ASN HA 4.690 . 4.690 3.241 2.750 3.713 . 0 0 "[ . 1]" 1
2117 1 187 LYS H 1 221 ASN QB 5.300 . 5.300 4.184 3.987 4.778 . 0 0 "[ . 1]" 1
2118 1 187 LYS H 1 221 ASN HD21 5.070 . 5.070 3.397 2.843 3.910 . 0 0 "[ . 1]" 1
2119 1 187 LYS H 1 221 ASN HD22 5.360 . 5.360 4.234 3.320 4.644 . 0 0 "[ . 1]" 1
2120 1 187 LYS HA 1 187 LYS HD2 4.770 . 4.770 2.543 2.031 4.216 . 0 0 "[ . 1]" 1
2121 1 187 LYS HA 1 187 LYS HD3 4.780 . 4.780 3.314 2.155 4.623 . 0 0 "[ . 1]" 1
2122 1 187 LYS HA 1 188 GLN H 3.150 . 3.150 2.128 2.079 2.205 . 0 0 "[ . 1]" 1
2123 1 187 LYS HA 1 194 THR HB 3.950 . 3.950 3.632 2.877 4.020 0.070 5 0 "[ . 1]" 1
2124 1 187 LYS HA 1 194 THR MG 3.840 . 3.840 1.870 1.771 1.976 0.029 5 0 "[ . 1]" 1
2125 1 187 LYS HB2 1 187 LYS HD2 3.810 . 3.810 3.024 2.401 3.708 . 0 0 "[ . 1]" 1
2126 1 187 LYS HB2 1 187 LYS HD3 3.780 . 3.780 2.939 2.347 4.101 0.321 9 0 "[ . 1]" 1
2127 1 187 LYS HB2 1 188 GLN H 4.070 . 4.070 4.209 3.904 4.418 0.348 2 0 "[ . 1]" 1
2128 1 187 LYS HB2 1 220 TRP HD1 3.890 . 3.890 2.582 2.062 3.323 . 0 0 "[ . 1]" 1
2129 1 187 LYS HB2 1 221 ASN HD21 5.500 . 5.500 4.884 3.973 5.662 0.162 8 0 "[ . 1]" 1
2130 1 187 LYS HB3 1 188 GLN H 4.140 . 4.140 3.992 3.400 4.276 0.136 8 0 "[ . 1]" 1
2131 1 187 LYS HB3 1 220 TRP HD1 3.990 . 3.990 3.620 1.998 4.259 0.269 1 0 "[ . 1]" 1
2132 1 187 LYS HD2 1 188 GLN H 4.700 . 4.700 3.156 2.290 4.835 0.135 3 0 "[ . 1]" 1
2133 1 187 LYS HD2 1 220 TRP HD1 4.600 . 4.600 4.684 4.385 4.899 0.299 9 0 "[ . 1]" 1
2134 1 187 LYS HD3 1 188 GLN H 4.760 . 4.760 4.358 3.921 4.955 0.195 3 0 "[ . 1]" 1
2135 1 187 LYS HD3 1 220 TRP HB3 5.120 . 5.120 4.808 3.966 5.301 0.181 6 0 "[ . 1]" 1
2136 1 187 LYS HD3 1 220 TRP HD1 4.270 . 4.270 3.945 3.217 4.547 0.277 9 0 "[ . 1]" 1
2137 1 187 LYS HD3 1 220 TRP HE1 5.380 . 5.380 4.105 3.002 5.286 . 0 0 "[ . 1]" 1
2138 1 188 GLN H 1 188 GLN HB2 3.290 . 3.290 2.268 2.210 2.356 . 0 0 "[ . 1]" 1
2139 1 188 GLN H 1 188 GLN HB3 3.360 . 3.360 3.463 2.928 3.563 0.203 10 0 "[ . 1]" 1
2140 1 188 GLN H 1 188 GLN QG 3.540 . 3.540 2.768 2.386 4.009 0.469 2 0 "[ . 1]" 1
2141 1 188 GLN H 1 189 ASP H 4.460 . 4.460 4.331 4.029 4.459 . 0 0 "[ . 1]" 1
2142 1 188 GLN H 1 191 SER H 5.500 . 5.500 4.980 4.702 5.392 . 0 0 "[ . 1]" 1
2143 1 188 GLN H 1 193 ALA H 4.950 . 4.950 4.655 4.294 5.019 0.069 2 0 "[ . 1]" 1
2144 1 188 GLN H 1 194 THR H 4.960 . 4.960 5.032 4.869 5.111 0.151 10 0 "[ . 1]" 1
2145 1 188 GLN H 1 194 THR HB 5.130 . 5.130 4.835 4.040 5.270 0.140 7 0 "[ . 1]" 1
2146 1 188 GLN HA 1 188 GLN QG 3.080 . 3.080 2.714 2.463 2.841 . 0 0 "[ . 1]" 1
2147 1 188 GLN HA 1 189 ASP H 2.830 . 2.830 2.105 2.050 2.242 . 0 0 "[ . 1]" 1
2148 1 188 GLN HB2 1 191 SER H 5.500 . 5.500 3.411 2.871 4.981 . 0 0 "[ . 1]" 1
2149 1 188 GLN HB2 1 193 ALA MB 4.220 . 4.220 3.545 2.283 4.240 0.020 6 0 "[ . 1]" 1
2150 1 188 GLN HB3 1 189 ASP H 3.690 . 3.690 3.495 3.078 4.065 0.375 2 0 "[ . 1]" 1
2151 1 188 GLN HB3 1 191 SER HB2 3.890 . 3.890 1.927 1.803 2.286 . 0 0 "[ . 1]" 1
2152 1 188 GLN HB3 1 193 ALA H 4.180 . 4.180 3.785 3.237 4.111 . 0 0 "[ . 1]" 1
2153 1 188 GLN QG 1 189 ASP H 4.310 . 4.310 4.426 3.802 4.562 0.252 3 0 "[ . 1]" 1
2154 1 188 GLN QG 1 191 SER HB2 4.180 . 4.180 2.222 2.019 2.594 . 0 0 "[ . 1]" 1
2155 1 188 GLN QG 1 191 SER HB3 3.980 . 3.980 3.319 2.797 3.627 . 0 0 "[ . 1]" 1
2156 1 188 GLN QG 1 192 ALA MB 4.420 . 4.420 4.706 4.599 4.825 0.405 4 0 "[ . 1]" 1
2157 1 188 GLN QG 1 193 ALA H 3.990 . 3.990 2.407 1.909 2.904 . 0 0 "[ . 1]" 1
2158 1 188 GLN QG 1 193 ALA MB 4.170 . 4.170 1.955 1.753 2.310 0.047 4 0 "[ . 1]" 1
2159 1 189 ASP H 1 189 ASP HA 2.850 . 2.850 2.796 2.715 2.929 0.079 5 0 "[ . 1]" 1
2160 1 189 ASP H 1 189 ASP QB 2.700 . 2.700 2.357 2.236 2.539 . 0 0 "[ . 1]" 1
2161 1 189 ASP H 1 191 SER H 5.500 . 5.500 4.091 3.712 4.541 . 0 0 "[ . 1]" 1
2162 1 189 ASP HA 1 189 ASP QB 2.540 . 2.540 2.385 2.330 2.457 . 0 0 "[ . 1]" 1
2163 1 189 ASP QB 1 190 GLY HA2 4.410 . 4.410 4.421 4.227 4.628 0.218 5 0 "[ . 1]" 1
2164 1 189 ASP QB 1 190 GLY HA3 4.230 . 4.230 4.090 3.823 4.309 0.079 9 0 "[ . 1]" 1
2165 1 190 GLY H 1 191 SER H 4.040 . 4.040 2.343 1.761 2.564 0.039 6 0 "[ . 1]" 1
2166 1 190 GLY H 1 191 SER HA 5.040 . 5.040 4.729 4.435 5.131 0.091 2 0 "[ . 1]" 1
2167 1 190 GLY H 1 191 SER HB2 5.500 . 5.500 4.404 3.880 5.138 . 0 0 "[ . 1]" 1
2168 1 190 GLY HA2 1 191 SER H 3.540 . 3.540 3.133 2.743 3.495 . 0 0 "[ . 1]" 1
2169 1 191 SER H 1 191 SER HB2 3.590 . 3.590 2.864 2.586 3.051 . 0 0 "[ . 1]" 1
2170 1 191 SER HA 1 191 SER HB2 2.980 . 2.980 3.026 3.020 3.039 0.059 8 0 "[ . 1]" 1
2171 1 191 SER HA 1 191 SER HB3 3.000 . 3.000 2.423 2.369 2.464 . 0 0 "[ . 1]" 1
2172 1 191 SER HA 1 192 ALA H 3.580 . 3.580 2.850 2.733 2.976 . 0 0 "[ . 1]" 1
2173 1 191 SER HA 1 192 ALA HA 4.480 . 4.480 4.404 4.352 4.442 . 0 0 "[ . 1]" 1
2174 1 191 SER HA 1 192 ALA MB 4.190 . 4.190 3.983 3.940 4.020 . 0 0 "[ . 1]" 1
2175 1 191 SER HB2 1 192 ALA H 4.870 . 4.870 2.787 2.584 3.089 . 0 0 "[ . 1]" 1
2176 1 191 SER HB2 1 192 ALA MB 5.000 . 5.000 4.671 4.532 4.895 . 0 0 "[ . 1]" 1
2177 1 191 SER HB2 1 193 ALA MB 4.270 . 4.270 3.757 3.505 4.087 . 0 0 "[ . 1]" 1
2178 1 191 SER HB3 1 192 ALA H 4.570 . 4.570 1.989 1.854 2.118 . 0 0 "[ . 1]" 1
2179 1 191 SER HB3 1 192 ALA MB 4.850 . 4.850 3.962 3.815 4.140 . 0 0 "[ . 1]" 1
2180 1 191 SER HB3 1 193 ALA MB 4.270 . 4.270 4.045 3.644 4.257 . 0 0 "[ . 1]" 1
2181 1 192 ALA H 1 192 ALA MB 3.610 . 3.610 2.386 2.332 2.438 . 0 0 "[ . 1]" 1
2182 1 192 ALA H 1 193 ALA H 3.710 . 3.710 2.107 1.962 2.313 . 0 0 "[ . 1]" 1
2183 1 192 ALA H 1 193 ALA MB 5.500 . 5.500 3.806 3.715 3.897 . 0 0 "[ . 1]" 1
2184 1 192 ALA MB 1 193 ALA H 3.440 . 3.440 3.029 2.625 3.467 0.027 9 0 "[ . 1]" 1
2185 1 192 ALA MB 1 194 THR H 5.500 . 5.500 4.902 3.938 5.494 . 0 0 "[ . 1]" 1
2186 1 193 ALA H 1 193 ALA MB 2.590 . 2.590 2.253 2.232 2.286 . 0 0 "[ . 1]" 1
2187 1 193 ALA HA 1 194 THR H 2.580 . 2.580 2.191 2.050 2.390 . 0 0 "[ . 1]" 1
2188 1 193 ALA MB 1 194 THR H 3.490 . 3.490 3.132 2.674 3.645 0.155 9 0 "[ . 1]" 1
2189 1 193 ALA MB 1 194 THR MG 4.220 . 4.220 4.208 4.086 4.285 0.065 9 0 "[ . 1]" 1
2190 1 194 THR H 1 194 THR HB 3.680 . 3.680 3.752 3.631 3.833 0.153 7 0 "[ . 1]" 1
2191 1 194 THR H 1 194 THR MG 3.420 . 3.420 3.053 2.501 3.302 . 0 0 "[ . 1]" 1
2192 1 194 THR H 1 195 TYR H 4.610 . 4.610 4.330 4.229 4.461 . 0 0 "[ . 1]" 1
2193 1 194 THR HB 1 195 TYR H 3.610 . 3.610 2.895 1.788 3.232 0.012 2 0 "[ . 1]" 1
2194 1 194 THR MG 1 195 TYR H 3.880 . 3.880 3.769 3.267 3.960 0.080 1 0 "[ . 1]" 1
2195 1 194 THR MG 1 196 GLN QG 5.500 . 5.500 5.054 4.457 5.669 0.169 3 0 "[ . 1]" 1
2196 1 195 TYR H 1 196 GLN H 5.010 . 5.010 4.232 3.865 4.412 . 0 0 "[ . 1]" 1
2197 1 195 TYR HA 1 196 GLN H 3.490 . 3.490 2.130 2.062 2.246 . 0 0 "[ . 1]" 1
2198 1 197 ASP HA 1 198 SER H 3.180 . 3.180 2.494 2.272 2.980 . 0 0 "[ . 1]" 1
2199 1 198 SER H 1 199 ASP H 4.820 . 4.820 4.300 3.596 4.544 . 0 0 "[ . 1]" 1
2200 1 198 SER HB2 1 199 ASP H 4.750 . 4.750 3.661 2.066 4.138 . 0 0 "[ . 1]" 1
2201 1 199 ASP H 1 200 ASP H 4.680 . 4.680 4.404 4.092 4.685 0.005 6 0 "[ . 1]" 1
2202 1 199 ASP H 1 211 LEU MD2 5.500 . 5.500 3.667 1.871 5.403 . 0 0 "[ . 1]" 1
2203 1 199 ASP HA 1 200 ASP H 3.380 . 3.380 2.372 2.047 2.742 . 0 0 "[ . 1]" 1
2204 1 199 ASP HA 1 201 ASP H 4.570 . 4.570 4.288 3.372 4.848 0.278 2 0 "[ . 1]" 1
2205 1 199 ASP HB2 1 200 ASP H 5.110 . 5.110 3.574 2.196 4.424 . 0 0 "[ . 1]" 1
2206 1 200 ASP H 1 200 ASP HB3 3.860 . 3.860 3.476 3.095 3.945 0.085 8 0 "[ . 1]" 1
2207 1 200 ASP H 1 201 ASP H 3.910 . 3.910 2.337 1.719 3.736 0.081 3 0 "[ . 1]" 1
2208 1 200 ASP H 1 204 THR HA 5.450 . 5.450 5.156 4.802 5.473 0.023 6 0 "[ . 1]" 1
2209 1 200 ASP HA 1 201 ASP H 3.330 . 3.330 3.325 2.286 3.612 0.282 8 0 "[ . 1]" 1
2210 1 200 ASP HA 1 207 GLY H 3.930 . 3.930 4.051 3.785 4.437 0.507 8 1 "[ . + 1]" 1
2211 1 200 ASP HB3 1 201 ASP H 4.160 . 4.160 3.896 3.028 4.447 0.287 1 0 "[ . 1]" 1
2212 1 200 ASP HB3 1 204 THR HA 5.170 . 5.170 2.991 2.151 4.203 . 0 0 "[ . 1]" 1
2213 1 200 ASP HB3 1 204 THR MG 5.500 . 5.500 4.735 3.849 5.431 . 0 0 "[ . 1]" 1
2214 1 202 GLY H 1 203 GLU H 3.290 . 3.290 2.689 2.054 3.497 0.207 3 0 "[ . 1]" 1
2215 1 202 GLY H 1 204 THR HA 5.500 . 5.500 5.293 4.478 5.872 0.372 9 0 "[ . 1]" 1
2216 1 202 GLY HA2 1 203 GLU HA 4.790 . 4.790 4.531 4.475 4.612 . 0 0 "[ . 1]" 1
2217 1 203 GLU H 1 204 THR H 4.710 . 4.710 4.116 3.812 4.352 . 0 0 "[ . 1]" 1
2218 1 203 GLU H 1 204 THR HA 5.500 . 5.500 4.866 4.651 5.042 . 0 0 "[ . 1]" 1
2219 1 203 GLU H 1 205 ALA H 5.500 . 5.500 5.505 5.364 5.604 0.104 5 0 "[ . 1]" 1
2220 1 203 GLU HA 1 205 ALA MB 5.500 . 5.500 4.684 4.134 5.159 . 0 0 "[ . 1]" 1
2221 1 203 GLU QB 1 205 ALA H 5.500 . 5.500 3.642 3.033 4.399 . 0 0 "[ . 1]" 1
2222 1 204 THR H 1 204 THR HB 4.130 . 4.130 2.599 2.541 2.703 . 0 0 "[ . 1]" 1
2223 1 204 THR H 1 204 THR MG 3.720 . 3.720 2.073 1.878 2.253 . 0 0 "[ . 1]" 1
2224 1 204 THR H 1 205 ALA H 4.870 . 4.870 2.638 2.407 2.804 . 0 0 "[ . 1]" 1
2225 1 204 THR HA 1 204 THR MG 3.700 . 3.700 3.219 3.211 3.226 . 0 0 "[ . 1]" 1
2226 1 204 THR HA 1 205 ALA H 3.570 . 3.570 3.473 3.440 3.509 . 0 0 "[ . 1]" 1
2227 1 204 THR HA 1 206 ALA H 4.910 . 4.910 4.020 3.664 4.643 . 0 0 "[ . 1]" 1
2228 1 204 THR HB 1 205 ALA H 4.410 . 4.410 4.128 4.042 4.223 . 0 0 "[ . 1]" 1
2229 1 204 THR MG 1 205 ALA H 2.760 . 2.760 2.407 2.286 2.503 . 0 0 "[ . 1]" 1
2230 1 204 THR MG 1 205 ALA MB 3.870 . 3.870 3.090 2.844 3.319 . 0 0 "[ . 1]" 1
2231 1 205 ALA H 1 206 ALA H 3.340 . 3.340 2.479 2.356 2.616 . 0 0 "[ . 1]" 1
2232 1 205 ALA H 1 206 ALA HA 5.500 . 5.500 5.100 4.943 5.245 . 0 0 "[ . 1]" 1
2233 1 205 ALA H 1 206 ALA MB 4.800 . 4.800 4.181 4.055 4.383 . 0 0 "[ . 1]" 1
2234 1 205 ALA H 1 207 GLY H 4.140 . 4.140 3.983 3.596 4.195 0.055 9 0 "[ . 1]" 1
2235 1 205 ALA HA 1 207 GLY H 5.110 . 5.110 4.069 3.513 4.291 . 0 0 "[ . 1]" 1
2236 1 205 ALA MB 1 206 ALA H 4.270 . 4.270 2.764 2.467 2.980 . 0 0 "[ . 1]" 1
2237 1 206 ALA H 1 206 ALA MB 3.390 . 3.390 2.266 2.219 2.288 . 0 0 "[ . 1]" 1
2238 1 206 ALA H 1 207 GLY H 3.620 . 3.620 2.475 2.367 2.703 . 0 0 "[ . 1]" 1
2239 1 206 ALA H 1 208 SER H 4.960 . 4.960 4.761 4.379 5.052 0.092 1 0 "[ . 1]" 1
2240 1 206 ALA MB 1 207 GLY H 3.980 . 3.980 2.946 2.707 3.115 . 0 0 "[ . 1]" 1
2241 1 206 ALA MB 1 208 SER H 5.430 . 5.430 5.053 4.792 5.283 . 0 0 "[ . 1]" 1
2242 1 207 GLY H 1 208 SER H 4.090 . 4.090 2.864 2.642 2.974 . 0 0 "[ . 1]" 1
2243 1 207 GLY H 1 209 ARG H 4.650 . 4.650 4.045 3.682 4.340 . 0 0 "[ . 1]" 1
2244 1 207 GLY QA 1 208 SER H 3.550 . 3.550 2.540 2.477 2.595 . 0 0 "[ . 1]" 1
2245 1 207 GLY QA 1 210 MET H 5.250 . 5.250 3.712 3.376 4.255 . 0 0 "[ . 1]" 1
2246 1 208 SER H 1 209 ARG H 3.740 . 3.740 2.617 2.326 2.844 . 0 0 "[ . 1]" 1
2247 1 208 SER H 1 210 MET H 4.870 . 4.870 4.320 3.987 4.567 . 0 0 "[ . 1]" 1
2248 1 208 SER H 1 211 LEU H 4.730 . 4.730 4.749 4.598 4.905 0.175 2 0 "[ . 1]" 1
2249 1 208 SER HA 1 211 LEU H 4.680 . 4.680 3.420 3.138 3.593 . 0 0 "[ . 1]" 1
2250 1 208 SER HA 1 212 HIS H 4.800 . 4.800 3.970 3.750 4.319 . 0 0 "[ . 1]" 1
2251 1 208 SER HB2 1 209 ARG H 4.470 . 4.470 3.236 2.284 3.900 . 0 0 "[ . 1]" 1
2252 1 208 SER HB3 1 209 ARG H 3.610 . 3.610 3.124 2.551 3.768 0.158 10 0 "[ . 1]" 1
2253 1 208 SER HB3 1 211 LEU H 5.500 . 5.500 5.425 5.187 5.567 0.067 10 0 "[ . 1]" 1
2254 1 209 ARG H 1 210 MET H 3.460 . 3.460 2.948 2.730 3.109 . 0 0 "[ . 1]" 1
2255 1 209 ARG H 1 211 LEU H 4.100 . 4.100 4.095 3.851 4.249 0.149 10 0 "[ . 1]" 1
2256 1 209 ARG H 1 212 HIS H 4.970 . 4.970 4.906 4.739 5.108 0.138 5 0 "[ . 1]" 1
2257 1 210 MET H 1 210 MET QG 4.270 . 4.270 3.171 2.090 4.040 . 0 0 "[ . 1]" 1
2258 1 210 MET H 1 211 LEU H 3.720 . 3.720 2.470 2.415 2.523 . 0 0 "[ . 1]" 1
2259 1 210 MET H 1 211 LEU HB3 5.500 . 5.500 5.585 5.470 5.729 0.229 10 0 "[ . 1]" 1
2260 1 210 MET H 1 211 LEU MD2 4.730 . 4.730 4.586 4.223 4.810 0.080 3 0 "[ . 1]" 1
2261 1 210 MET H 1 212 HIS H 4.640 . 4.640 4.511 4.391 4.644 0.004 5 0 "[ . 1]" 1
2262 1 210 MET H 1 213 LEU H 5.160 . 5.160 4.594 4.522 4.701 . 0 0 "[ . 1]" 1
2263 1 210 MET HA 1 210 MET ME 4.520 . 4.520 4.200 3.212 4.604 0.084 6 0 "[ . 1]" 1
2264 1 210 MET HA 1 213 LEU H 4.310 . 4.310 3.375 3.143 3.541 . 0 0 "[ . 1]" 1
2265 1 210 MET HA 1 213 LEU MD1 4.580 . 4.580 2.549 2.279 3.394 . 0 0 "[ . 1]" 1
2266 1 210 MET QB 1 210 MET ME 3.620 . 3.620 2.648 1.988 3.649 0.029 9 0 "[ . 1]" 1
2267 1 210 MET ME 1 225 VAL HA 3.390 . 3.390 3.166 2.556 3.515 0.125 2 0 "[ . 1]" 1
2268 1 210 MET ME 1 226 VAL H 3.420 . 3.420 2.938 2.505 3.385 . 0 0 "[ . 1]" 1
2269 1 210 MET ME 1 226 VAL HB 3.190 . 3.190 2.939 2.738 3.122 . 0 0 "[ . 1]" 1
2270 1 210 MET ME 1 226 VAL MG2 3.130 . 3.130 2.434 1.921 3.012 . 0 0 "[ . 1]" 1
2271 1 211 LEU H 1 211 LEU MD1 4.750 . 4.750 4.132 4.036 4.230 . 0 0 "[ . 1]" 1
2272 1 211 LEU H 1 211 LEU MD2 4.150 . 4.150 2.916 2.638 3.135 . 0 0 "[ . 1]" 1
2273 1 211 LEU H 1 212 HIS H 3.650 . 3.650 2.944 2.907 3.030 . 0 0 "[ . 1]" 1
2274 1 211 LEU H 1 213 LEU H 4.440 . 4.440 3.727 3.621 3.863 . 0 0 "[ . 1]" 1
2275 1 211 LEU H 1 213 LEU HB2 4.410 . 4.410 4.498 4.433 4.721 0.311 5 0 "[ . 1]" 1
2276 1 211 LEU HA 1 211 LEU MD2 3.680 . 3.680 2.171 2.082 2.293 . 0 0 "[ . 1]" 1
2277 1 211 LEU HA 1 213 LEU H 4.160 . 4.160 4.109 3.867 4.277 0.117 4 0 "[ . 1]" 1
2278 1 211 LEU HA 1 214 ILE H 4.480 . 4.480 3.570 3.479 3.705 . 0 0 "[ . 1]" 1
2279 1 211 LEU HA 1 214 ILE MD 3.900 . 3.900 2.864 2.730 2.976 . 0 0 "[ . 1]" 1
2280 1 211 LEU HA 1 214 ILE MG 4.100 . 4.100 3.860 3.579 4.181 0.081 5 0 "[ . 1]" 1
2281 1 211 LEU HB2 1 212 HIS H 5.210 . 5.210 2.863 2.600 3.050 . 0 0 "[ . 1]" 1
2282 1 211 LEU HB2 1 214 ILE H 5.500 . 5.500 5.699 5.647 5.743 0.243 9 0 "[ . 1]" 1
2283 1 211 LEU HB3 1 212 HIS H 5.290 . 5.290 2.477 2.349 2.616 . 0 0 "[ . 1]" 1
2284 1 211 LEU MD1 1 212 HIS H 4.830 . 4.830 4.153 4.007 4.290 . 0 0 "[ . 1]" 1
2285 1 211 LEU MD1 1 213 LEU H 5.110 . 5.110 5.204 5.128 5.371 0.261 4 0 "[ . 1]" 1
2286 1 211 LEU MD1 1 214 ILE QG 3.850 . 3.850 2.904 2.729 3.135 . 0 0 "[ . 1]" 1
2287 1 211 LEU MD1 1 215 THR HB 5.500 . 5.500 5.274 4.808 5.581 0.081 1 0 "[ . 1]" 1
2288 1 212 HIS H 1 213 LEU H 3.590 . 3.590 2.547 2.292 2.694 . 0 0 "[ . 1]" 1
2289 1 212 HIS H 1 213 LEU MD1 5.500 . 5.500 5.615 5.515 5.676 0.176 5 0 "[ . 1]" 1
2290 1 212 HIS H 1 214 ILE H 4.580 . 4.580 4.481 4.359 4.591 0.011 10 0 "[ . 1]" 1
2291 1 212 HIS HA 1 214 ILE H 5.500 . 5.500 4.534 4.375 4.671 . 0 0 "[ . 1]" 1
2292 1 212 HIS HA 1 215 THR MG 4.620 . 4.620 3.777 3.503 3.963 . 0 0 "[ . 1]" 1
2293 1 212 HIS HA 1 216 ILE H 5.500 . 5.500 3.890 3.761 4.056 . 0 0 "[ . 1]" 1
2294 1 212 HIS HB2 1 216 ILE MD 4.800 . 4.800 4.656 4.457 4.858 0.058 8 0 "[ . 1]" 1
2295 1 213 LEU H 1 213 LEU HB3 4.020 . 4.020 2.871 2.453 3.052 . 0 0 "[ . 1]" 1
2296 1 213 LEU H 1 213 LEU MD1 3.630 . 3.630 3.869 3.759 4.041 0.411 5 0 "[ . 1]" 1
2297 1 213 LEU H 1 214 ILE QG 4.800 . 4.800 4.065 3.851 4.342 . 0 0 "[ . 1]" 1
2298 1 213 LEU HA 1 213 LEU MD1 3.470 . 3.470 3.495 2.824 3.602 0.132 4 0 "[ . 1]" 1
2299 1 213 LEU HA 1 213 LEU MD2 4.390 . 4.390 2.846 2.151 3.520 . 0 0 "[ . 1]" 1
2300 1 213 LEU HA 1 216 ILE H 4.950 . 4.950 3.838 3.701 4.005 . 0 0 "[ . 1]" 1
2301 1 213 LEU HA 1 216 ILE MD 3.170 . 3.170 2.366 2.278 2.442 . 0 0 "[ . 1]" 1
2302 1 213 LEU HA 1 216 ILE QG 3.580 . 3.580 2.338 2.043 3.227 . 0 0 "[ . 1]" 1
2303 1 213 LEU HB2 1 214 ILE H 4.890 . 4.890 3.412 3.303 3.683 . 0 0 "[ . 1]" 1
2304 1 213 LEU HB2 1 216 ILE MD 4.370 . 4.370 4.413 4.236 4.510 0.140 5 0 "[ . 1]" 1
2305 1 213 LEU MD2 1 214 ILE HA 3.780 . 3.780 3.557 3.357 3.923 0.143 10 0 "[ . 1]" 1
2306 1 213 LEU MD2 1 214 ILE MG 3.450 . 3.450 3.433 3.145 3.784 0.334 5 0 "[ . 1]" 1
2307 1 213 LEU MD2 1 216 ILE MD 3.620 . 3.620 3.481 2.713 3.880 0.260 10 0 "[ . 1]" 1
2308 1 214 ILE H 1 214 ILE MG 3.530 . 3.530 2.306 2.227 2.370 . 0 0 "[ . 1]" 1
2309 1 214 ILE H 1 215 THR HB 5.500 . 5.500 4.897 4.789 5.024 . 0 0 "[ . 1]" 1
2310 1 214 ILE H 1 216 ILE H 5.050 . 5.050 4.532 4.442 4.634 . 0 0 "[ . 1]" 1
2311 1 214 ILE HA 1 214 ILE MD 4.290 . 4.290 4.189 4.168 4.210 . 0 0 "[ . 1]" 1
2312 1 214 ILE HA 1 214 ILE MG 3.420 . 3.420 2.328 2.300 2.365 . 0 0 "[ . 1]" 1
2313 1 214 ILE HA 1 217 MET H 4.030 . 4.030 3.266 3.115 3.468 . 0 0 "[ . 1]" 1
2314 1 214 ILE HA 1 219 VAL MG1 3.570 . 3.570 2.701 2.144 3.164 . 0 0 "[ . 1]" 1
2315 1 214 ILE HA 1 256 PHE QE 4.370 . 4.370 4.103 3.010 4.450 0.080 5 0 "[ . 1]" 1
2316 1 214 ILE HB 1 219 VAL MG1 3.620 . 3.620 2.280 2.035 3.026 . 0 0 "[ . 1]" 1
2317 1 214 ILE MD 1 215 THR HA 4.750 . 4.750 4.773 4.705 4.886 0.136 5 0 "[ . 1]" 1
2318 1 214 ILE MD 1 224 VAL H 5.020 . 5.020 4.456 4.289 4.710 . 0 0 "[ . 1]" 1
2319 1 214 ILE MD 1 224 VAL MG1 3.170 . 3.170 3.258 3.179 3.376 0.206 5 0 "[ . 1]" 1
2320 1 214 ILE QG 1 224 VAL MG1 5.500 . 5.500 4.503 4.380 4.730 . 0 0 "[ . 1]" 1
2321 1 214 ILE QG 1 256 PHE QE 5.330 . 5.330 4.845 4.389 5.184 . 0 0 "[ . 1]" 1
2322 1 214 ILE MG 1 256 PHE QE 4.410 . 4.410 2.216 1.957 2.671 . 0 0 "[ . 1]" 1
2323 1 215 THR H 1 215 THR HB 4.020 . 4.020 2.624 2.487 2.787 . 0 0 "[ . 1]" 1
2324 1 215 THR H 1 216 ILE H 3.300 . 3.300 2.829 2.630 3.001 . 0 0 "[ . 1]" 1
2325 1 215 THR H 1 216 ILE HA 5.500 . 5.500 5.373 5.202 5.501 0.001 9 0 "[ . 1]" 1
2326 1 215 THR H 1 216 ILE MG 4.950 . 4.950 4.478 4.167 4.954 0.004 5 0 "[ . 1]" 1
2327 1 215 THR HA 1 215 THR MG 3.090 . 3.090 2.350 2.266 2.428 . 0 0 "[ . 1]" 1
2328 1 215 THR HB 1 216 ILE H 5.040 . 5.040 2.278 2.091 2.459 . 0 0 "[ . 1]" 1
2329 1 215 THR HB 1 216 ILE MG 4.410 . 4.410 3.039 2.888 3.196 . 0 0 "[ . 1]" 1
2330 1 215 THR HB 1 217 MET H 4.900 . 4.900 4.649 4.479 4.845 . 0 0 "[ . 1]" 1
2331 1 215 THR MG 1 216 ILE H 4.080 . 4.080 3.312 3.164 3.471 . 0 0 "[ . 1]" 1
2332 1 215 THR MG 1 216 ILE HB 5.500 . 5.500 5.366 4.961 5.542 0.042 6 0 "[ . 1]" 1
2333 1 215 THR MG 1 216 ILE MG 4.020 . 4.020 3.384 2.644 3.596 . 0 0 "[ . 1]" 1
2334 1 215 THR MG 1 217 MET H 4.940 . 4.940 4.869 4.672 5.000 0.060 3 0 "[ . 1]" 1
2335 1 216 ILE H 1 216 ILE HB 3.930 . 3.930 3.643 3.603 3.661 . 0 0 "[ . 1]" 1
2336 1 216 ILE H 1 216 ILE MD 3.880 . 3.880 3.562 2.871 3.695 . 0 0 "[ . 1]" 1
2337 1 216 ILE H 1 216 ILE QG 3.710 . 3.710 2.052 1.788 2.153 0.012 5 0 "[ . 1]" 1
2338 1 216 ILE H 1 216 ILE MG 3.330 . 3.330 2.217 2.052 2.708 . 0 0 "[ . 1]" 1
2339 1 216 ILE H 1 217 MET H 3.440 . 3.440 2.683 2.479 2.813 . 0 0 "[ . 1]" 1
2340 1 216 ILE HA 1 216 ILE MG 2.960 . 2.960 2.330 2.206 2.375 . 0 0 "[ . 1]" 1
2341 1 216 ILE HA 1 218 ASP H 4.320 . 4.320 3.438 3.277 3.681 . 0 0 "[ . 1]" 1
2342 1 216 ILE HB 1 216 ILE MD 3.300 . 3.300 2.466 2.421 2.505 . 0 0 "[ . 1]" 1
2343 1 216 ILE HB 1 217 MET H 4.420 . 4.420 4.015 3.952 4.092 . 0 0 "[ . 1]" 1
2344 1 216 ILE MD 1 217 MET H 4.130 . 4.130 3.966 2.346 4.277 0.147 4 0 "[ . 1]" 1
2345 1 216 ILE QG 1 216 ILE MG 3.040 . 3.040 2.329 2.083 2.373 . 0 0 "[ . 1]" 1
2346 1 216 ILE QG 1 217 MET H 4.120 . 4.120 2.549 2.357 3.315 . 0 0 "[ . 1]" 1
2347 1 216 ILE MG 1 217 MET H 4.070 . 4.070 4.089 4.021 4.271 0.201 5 0 "[ . 1]" 1
2348 1 217 MET H 1 218 ASP H 3.200 . 3.200 2.899 2.769 3.097 . 0 0 "[ . 1]" 1
2349 1 217 MET H 1 219 VAL H 4.890 . 4.890 4.909 4.688 5.016 0.126 7 0 "[ . 1]" 1
2350 1 217 MET H 1 219 VAL MG1 4.030 . 4.030 3.651 3.392 3.783 . 0 0 "[ . 1]" 1
2351 1 217 MET HA 1 217 MET ME 3.380 . 3.380 3.546 3.358 3.672 0.292 3 0 "[ . 1]" 1
2352 1 217 MET HB2 1 218 ASP H 3.990 . 3.990 4.027 3.784 4.310 0.320 5 0 "[ . 1]" 1
2353 1 217 MET HB3 1 217 MET ME 2.880 . 2.880 2.042 1.908 2.235 . 0 0 "[ . 1]" 1
2354 1 217 MET ME 1 219 VAL MG1 3.200 . 3.200 2.985 2.385 3.253 0.053 7 0 "[ . 1]" 1
2355 1 217 MET ME 1 251 VAL MG2 4.660 . 4.660 3.445 3.089 4.154 . 0 0 "[ . 1]" 1
2356 1 217 MET ME 1 252 VAL HA 4.530 . 4.530 4.692 4.297 4.849 0.319 6 0 "[ . 1]" 1
2357 1 217 MET ME 1 252 VAL MG2 5.070 . 5.070 4.299 3.891 5.443 0.373 8 0 "[ . 1]" 1
2358 1 217 MET ME 1 257 ASP HA 3.940 . 3.940 3.334 2.193 3.996 0.056 4 0 "[ . 1]" 1
2359 1 217 MET ME 1 257 ASP QB 3.210 . 3.210 2.982 1.938 3.812 0.602 3 1 "[ + . 1]" 1
2360 1 218 ASP H 1 218 ASP HB2 3.920 . 3.920 3.417 3.217 3.621 . 0 0 "[ . 1]" 1
2361 1 218 ASP H 1 218 ASP HB3 4.050 . 4.050 4.016 3.984 4.084 0.034 1 0 "[ . 1]" 1
2362 1 218 ASP H 1 219 VAL H 3.800 . 3.800 3.199 3.113 3.355 . 0 0 "[ . 1]" 1
2363 1 218 ASP H 1 219 VAL MG1 4.240 . 4.240 3.640 3.518 3.794 . 0 0 "[ . 1]" 1
2364 1 218 ASP HA 1 219 VAL H 3.640 . 3.640 2.266 2.160 2.385 . 0 0 "[ . 1]" 1
2365 1 218 ASP HA 1 219 VAL MG1 4.080 . 4.080 4.041 3.770 4.169 0.089 3 0 "[ . 1]" 1
2366 1 218 ASP HB2 1 219 VAL H 4.530 . 4.530 4.498 4.451 4.545 0.015 4 0 "[ . 1]" 1
2367 1 218 ASP HB2 1 219 VAL MG1 5.210 . 5.210 4.871 4.715 5.173 . 0 0 "[ . 1]" 1
2368 1 219 VAL H 1 219 VAL HB 3.560 . 3.560 3.529 3.467 3.650 0.090 4 0 "[ . 1]" 1
2369 1 219 VAL H 1 219 VAL MG1 2.970 . 2.970 2.617 2.553 2.653 . 0 0 "[ . 1]" 1
2370 1 219 VAL H 1 220 TRP H 4.710 . 4.710 4.263 4.230 4.332 . 0 0 "[ . 1]" 1
2371 1 219 VAL HA 1 219 VAL MG1 3.410 . 3.410 3.208 3.189 3.218 . 0 0 "[ . 1]" 1
2372 1 219 VAL HA 1 219 VAL MG2 3.070 . 3.070 2.407 2.343 2.504 . 0 0 "[ . 1]" 1
2373 1 219 VAL HB 1 220 TRP H 3.780 . 3.780 3.909 3.813 4.004 0.224 3 0 "[ . 1]" 1
2374 1 219 VAL HB 1 222 VAL MG1 5.260 . 5.260 4.142 4.079 4.269 . 0 0 "[ . 1]" 1
2375 1 219 VAL HB 1 256 PHE HA 4.800 . 4.800 2.896 2.500 3.341 . 0 0 "[ . 1]" 1
2376 1 219 VAL HB 1 256 PHE HB3 4.640 . 4.640 4.427 3.950 4.872 0.232 3 0 "[ . 1]" 1
2377 1 219 VAL HB 1 257 ASP H 5.140 . 5.140 3.980 2.288 5.089 . 0 0 "[ . 1]" 1
2378 1 219 VAL HB 1 258 SER H 5.040 . 5.040 4.647 3.584 5.247 0.207 7 0 "[ . 1]" 1
2379 1 219 VAL MG1 1 256 PHE QE 3.360 . 3.360 2.905 2.635 3.320 . 0 0 "[ . 1]" 1
2380 1 219 VAL MG2 1 220 TRP H 3.460 . 3.460 2.148 1.990 2.241 . 0 0 "[ . 1]" 1
2381 1 219 VAL MG2 1 256 PHE HA 4.080 . 4.080 1.834 1.728 2.043 0.072 6 0 "[ . 1]" 1
2382 1 219 VAL MG2 1 256 PHE HB3 3.550 . 3.550 3.594 3.464 3.826 0.276 7 0 "[ . 1]" 1
2383 1 219 VAL MG2 1 256 PHE QD 3.480 . 3.480 2.477 2.064 3.089 . 0 0 "[ . 1]" 1
2384 1 219 VAL MG2 1 257 ASP H 5.120 . 5.120 3.625 2.586 4.473 . 0 0 "[ . 1]" 1
2385 1 219 VAL MG2 1 258 SER H 5.500 . 5.500 4.553 4.077 5.066 . 0 0 "[ . 1]" 1
2386 1 220 TRP H 1 220 TRP HB2 4.080 . 4.080 3.088 2.872 4.067 . 0 0 "[ . 1]" 1
2387 1 220 TRP H 1 220 TRP HD1 5.500 . 5.500 5.444 5.210 5.580 0.080 9 0 "[ . 1]" 1
2388 1 220 TRP H 1 221 ASN H 5.500 . 5.500 4.309 4.286 4.349 . 0 0 "[ . 1]" 1
2389 1 220 TRP H 1 222 VAL MG1 4.970 . 4.970 3.057 2.732 3.546 . 0 0 "[ . 1]" 1
2390 1 220 TRP HA 1 220 TRP HD1 3.710 . 3.710 3.303 3.063 4.336 0.626 3 1 "[ + . 1]" 1
2391 1 220 TRP HA 1 222 VAL H 4.410 . 4.410 3.403 2.978 4.104 . 0 0 "[ . 1]" 1
2392 1 220 TRP HA 1 222 VAL MG1 4.120 . 4.120 3.277 2.858 3.442 . 0 0 "[ . 1]" 1
2393 1 220 TRP HB2 1 220 TRP HE1 5.140 . 5.140 5.179 4.654 5.251 0.111 5 0 "[ . 1]" 1
2394 1 220 TRP HB2 1 221 ASN H 5.500 . 5.500 3.119 2.199 3.377 . 0 0 "[ . 1]" 1
2395 1 220 TRP HB2 1 221 ASN HA 4.670 . 4.670 4.955 4.439 5.144 0.474 9 0 "[ . 1]" 1
2396 1 220 TRP HD1 1 221 ASN H 5.170 . 5.170 3.583 2.861 3.924 . 0 0 "[ . 1]" 1
2397 1 221 ASN H 1 221 ASN HD21 5.500 . 5.500 4.696 3.889 5.542 0.042 8 0 "[ . 1]" 1
2398 1 221 ASN H 1 221 ASN HD22 5.500 . 5.500 4.544 3.140 5.389 . 0 0 "[ . 1]" 1
2399 1 221 ASN H 1 222 VAL H 4.250 . 4.250 2.920 2.789 3.079 . 0 0 "[ . 1]" 1
2400 1 221 ASN H 1 222 VAL MG1 4.170 . 4.170 4.130 3.805 4.238 0.068 5 0 "[ . 1]" 1
2401 1 221 ASN QB 1 222 VAL H 4.780 . 4.780 3.803 3.737 3.923 . 0 0 "[ . 1]" 1
2402 1 221 ASN QB 1 222 VAL HB 5.230 . 5.230 3.983 3.787 4.106 . 0 0 "[ . 1]" 1
2403 1 222 VAL H 1 222 VAL MG1 3.200 . 3.200 2.408 2.237 2.807 . 0 0 "[ . 1]" 1
2404 1 222 VAL H 1 222 VAL MG2 4.070 . 4.070 3.976 3.906 4.071 0.001 7 0 "[ . 1]" 1
2405 1 222 VAL HA 1 222 VAL MG2 3.380 . 3.380 2.368 2.293 2.423 . 0 0 "[ . 1]" 1
2406 1 222 VAL HA 1 223 ILE MD 5.160 . 5.160 5.138 4.696 5.221 0.061 3 0 "[ . 1]" 1
2407 1 222 VAL HA 1 256 PHE QE 4.980 . 4.980 4.991 4.942 5.042 0.062 4 0 "[ . 1]" 1
2408 1 222 VAL HB 1 223 ILE H 4.370 . 4.370 4.137 4.059 4.193 . 0 0 "[ . 1]" 1
2409 1 222 VAL MG1 1 223 ILE H 4.460 . 4.460 3.597 3.400 3.772 . 0 0 "[ . 1]" 1
2410 1 222 VAL MG1 1 256 PHE H 4.440 . 4.440 4.495 3.915 4.714 0.274 3 0 "[ . 1]" 1
2411 1 222 VAL MG1 1 256 PHE QE 3.920 . 3.920 2.857 2.775 2.991 . 0 0 "[ . 1]" 1
2412 1 222 VAL MG1 1 257 ASP H 5.470 . 5.470 5.130 4.555 5.452 . 0 0 "[ . 1]" 1
2413 1 222 VAL MG2 1 223 ILE H 3.310 . 3.310 2.341 2.159 2.467 . 0 0 "[ . 1]" 1
2414 1 222 VAL MG2 1 256 PHE H 4.880 . 4.880 4.347 2.798 4.673 . 0 0 "[ . 1]" 1
2415 1 222 VAL MG2 1 256 PHE QE 3.180 . 3.180 2.101 2.015 2.169 . 0 0 "[ . 1]" 1
2416 1 222 VAL MG2 1 257 ASP H 5.500 . 5.500 5.825 5.701 5.991 0.491 10 0 "[ . 1]" 1
2417 1 223 ILE H 1 223 ILE MD 3.790 . 3.790 3.620 2.938 3.882 0.092 5 0 "[ . 1]" 1
2418 1 223 ILE H 1 223 ILE MG 4.060 . 4.060 2.866 2.635 3.182 . 0 0 "[ . 1]" 1
2419 1 223 ILE H 1 224 VAL H 5.460 . 5.460 4.461 4.319 4.533 . 0 0 "[ . 1]" 1
2420 1 223 ILE H 1 256 PHE QE 5.410 . 5.410 3.987 3.714 4.301 . 0 0 "[ . 1]" 1
2421 1 223 ILE HA 1 224 VAL MG1 3.860 . 3.860 3.506 3.407 3.616 . 0 0 "[ . 1]" 1
2422 1 223 ILE HA 1 256 PHE QE 5.230 . 5.230 4.423 3.959 4.748 . 0 0 "[ . 1]" 1
2423 1 223 ILE MD 1 224 VAL H 5.070 . 5.070 4.144 3.301 4.636 . 0 0 "[ . 1]" 1
2424 1 223 ILE HG12 1 224 VAL H 5.100 . 5.100 4.947 4.824 5.178 0.078 4 0 "[ . 1]" 1
2425 1 223 ILE HG13 1 223 ILE MG 3.540 . 3.540 3.025 2.598 3.201 . 0 0 "[ . 1]" 1
2426 1 223 ILE MG 1 224 VAL H 3.980 . 3.980 3.685 3.488 3.805 . 0 0 "[ . 1]" 1
2427 1 224 VAL H 1 224 VAL MG1 3.300 . 3.300 2.286 2.091 2.386 . 0 0 "[ . 1]" 1
2428 1 224 VAL HA 1 224 VAL MG1 3.510 . 3.510 3.206 3.193 3.219 . 0 0 "[ . 1]" 1
2429 1 224 VAL HA 1 224 VAL MG2 3.520 . 3.520 2.417 2.373 2.466 . 0 0 "[ . 1]" 1
2430 1 224 VAL HB 1 225 VAL H 4.330 . 4.330 4.004 3.861 4.333 0.003 5 0 "[ . 1]" 1
2431 1 224 VAL MG1 1 225 VAL H 4.320 . 4.320 3.912 3.660 4.102 . 0 0 "[ . 1]" 1
2432 1 224 VAL MG1 1 256 PHE QE 4.900 . 4.900 2.754 2.572 3.200 . 0 0 "[ . 1]" 1
2433 1 224 VAL MG2 1 225 VAL H 3.470 . 3.470 2.406 2.122 2.695 . 0 0 "[ . 1]" 1
2434 1 224 VAL MG2 1 225 VAL HA 3.930 . 3.930 3.593 3.415 3.707 . 0 0 "[ . 1]" 1
2435 1 225 VAL H 1 225 VAL MG1 3.830 . 3.830 3.708 3.481 3.794 . 0 0 "[ . 1]" 1
2436 1 225 VAL H 1 225 VAL MG2 3.910 . 3.910 3.030 2.887 3.157 . 0 0 "[ . 1]" 1
2437 1 225 VAL HA 1 225 VAL MG2 3.690 . 3.690 2.279 2.258 2.307 . 0 0 "[ . 1]" 1
2438 1 225 VAL MG1 1 226 VAL H 3.550 . 3.550 2.615 2.372 2.780 . 0 0 "[ . 1]" 1
2439 1 225 VAL MG1 1 226 VAL HA 4.910 . 4.910 3.432 3.315 3.535 . 0 0 "[ . 1]" 1
2440 1 225 VAL MG2 1 226 VAL H 4.910 . 4.910 3.804 3.704 3.931 . 0 0 "[ . 1]" 1
2441 1 226 VAL H 1 227 ALA H 5.500 . 5.500 4.411 4.241 4.455 . 0 0 "[ . 1]" 1
2442 1 226 VAL HA 1 227 ALA MB 4.540 . 4.540 3.855 3.744 3.934 . 0 0 "[ . 1]" 1
2443 1 226 VAL MG1 1 227 ALA H 4.320 . 4.320 2.288 1.928 2.712 . 0 0 "[ . 1]" 1
2444 1 226 VAL MG2 1 227 ALA H 5.500 . 5.500 3.631 3.471 3.797 . 0 0 "[ . 1]" 1
2445 1 226 VAL MG2 1 227 ALA HA 5.500 . 5.500 5.415 5.345 5.514 0.014 5 0 "[ . 1]" 1
2446 1 227 ALA H 1 228 ARG H 5.480 . 5.480 4.327 4.186 4.402 . 0 0 "[ . 1]" 1
2447 1 227 ALA MB 1 228 ARG H 4.220 . 4.220 2.759 2.468 2.994 . 0 0 "[ . 1]" 1
2448 1 228 ARG H 1 229 TRP H 5.500 . 5.500 4.271 3.767 4.529 . 0 0 "[ . 1]" 1
2449 1 229 TRP HA 1 235 ILE MD 4.000 . 6.000 6.488 6.117 6.731 0.731 8 4 "[* -. *+ 1]" 1
2450 1 234 HIS HA 1 235 ILE MD 3.660 . 3.660 3.863 2.862 4.409 0.749 8 1 "[ . + 1]" 1
2451 1 234 HIS HB3 1 235 ILE MD 5.500 . 5.500 5.418 4.805 5.592 0.092 4 0 "[ . 1]" 1
2452 1 234 HIS HD2 1 235 ILE MD 5.500 . 5.500 4.373 3.715 4.931 . 0 0 "[ . 1]" 1
2453 1 234 HIS HD2 1 239 ARG H 4.000 . 6.000 5.828 5.076 6.203 0.203 7 0 "[ . 1]" 1
2454 1 235 ILE HA 1 235 ILE MD 4.270 . 4.270 3.937 3.824 4.206 . 0 0 "[ . 1]" 1
2455 1 235 ILE MD 1 239 ARG H 4.000 . 6.000 6.170 5.412 6.436 0.436 4 0 "[ . 1]" 1
2456 1 235 ILE MD 1 240 PHE H 4.000 . 6.000 5.527 4.739 6.081 0.081 10 0 "[ . 1]" 1
2457 1 235 ILE MG 1 239 ARG H 4.000 . 6.000 5.174 4.116 6.561 0.561 8 1 "[ . + 1]" 1
2458 1 235 ILE MG 1 240 PHE H 4.000 . 6.000 5.648 5.099 6.274 0.274 8 0 "[ . 1]" 1
2459 1 238 ASP H 1 239 ARG H 4.000 . 4.000 2.642 2.556 2.727 . 0 0 "[ . 1]" 1
2460 1 238 ASP H 1 240 PHE H 5.500 . 5.500 4.831 4.244 5.291 . 0 0 "[ . 1]" 1
2461 1 238 ASP HA 1 241 LYS H 4.930 . 4.930 4.516 3.854 4.992 0.062 2 0 "[ . 1]" 1
2462 1 239 ARG H 1 240 PHE H 4.290 . 4.290 2.620 2.315 2.911 . 0 0 "[ . 1]" 1
2463 1 239 ARG H 1 241 LYS H 4.650 . 4.650 4.820 4.693 5.036 0.386 2 0 "[ . 1]" 1
2464 1 239 ARG H 1 242 HIS H 5.500 . 5.500 4.972 4.812 5.172 . 0 0 "[ . 1]" 1
2465 1 239 ARG HB3 1 241 LYS H 5.500 . 5.500 5.651 5.436 5.917 0.417 2 0 "[ . 1]" 1
2466 1 240 PHE H 1 241 LYS H 4.040 . 4.040 3.163 2.932 3.344 . 0 0 "[ . 1]" 1
2467 1 240 PHE H 1 241 LYS HB2 5.230 . 5.230 5.270 4.831 5.440 0.210 9 0 "[ . 1]" 1
2468 1 240 PHE H 1 242 HIS H 5.040 . 5.040 4.272 4.094 4.403 . 0 0 "[ . 1]" 1
2469 1 240 PHE H 1 243 ILE MG 5.500 . 5.500 4.567 3.971 5.496 . 0 0 "[ . 1]" 1
2470 1 240 PHE HA 1 243 ILE H 5.040 . 5.040 4.086 3.719 4.490 . 0 0 "[ . 1]" 1
2471 1 240 PHE HA 1 243 ILE HB 4.900 . 4.900 4.531 2.490 4.941 0.041 8 0 "[ . 1]" 1
2472 1 240 PHE HA 1 243 ILE MG 4.220 . 4.220 3.343 2.374 4.216 . 0 0 "[ . 1]" 1
2473 1 240 PHE HA 1 244 ASN H 4.650 . 4.650 4.050 3.829 4.260 . 0 0 "[ . 1]" 1
2474 1 241 LYS H 1 242 HIS H 3.670 . 3.670 2.903 2.653 3.074 . 0 0 "[ . 1]" 1
2475 1 241 LYS H 1 243 ILE H 4.770 . 4.770 4.524 4.394 4.724 . 0 0 "[ . 1]" 1
2476 1 241 LYS H 1 243 ILE MG 5.500 . 5.500 5.213 4.421 5.713 0.213 4 0 "[ . 1]" 1
2477 1 241 LYS H 1 244 ASN H 5.100 . 5.100 4.624 4.501 4.739 . 0 0 "[ . 1]" 1
2478 1 241 LYS HA 1 244 ASN HB2 4.500 . 4.500 2.800 2.206 3.332 . 0 0 "[ . 1]" 1
2479 1 241 LYS HA 1 244 ASN HB3 4.680 . 4.680 2.990 2.387 4.167 . 0 0 "[ . 1]" 1
2480 1 241 LYS HB2 1 242 HIS H 4.450 . 4.450 3.687 3.052 3.905 . 0 0 "[ . 1]" 1
2481 1 241 LYS HB3 1 241 LYS QE 4.300 . 4.300 3.745 2.047 4.251 . 0 0 "[ . 1]" 1
2482 1 241 LYS HB3 1 242 HIS H 4.570 . 4.570 2.810 2.455 3.904 . 0 0 "[ . 1]" 1
2483 1 241 LYS QG 1 244 ASN H 5.500 . 5.500 5.187 4.858 5.539 0.039 7 0 "[ . 1]" 1
2484 1 241 LYS QG 1 244 ASN HB2 5.500 . 5.500 4.579 3.893 5.242 . 0 0 "[ . 1]" 1
2485 1 242 HIS H 1 243 ILE H 4.640 . 4.640 2.447 2.312 2.618 . 0 0 "[ . 1]" 1
2486 1 242 HIS H 1 243 ILE MG 5.500 . 5.500 4.238 3.822 5.406 . 0 0 "[ . 1]" 1
2487 1 242 HIS H 1 244 ASN H 4.480 . 4.480 3.577 3.315 3.914 . 0 0 "[ . 1]" 1
2488 1 242 HIS H 1 245 SER H 5.330 . 5.330 4.821 4.604 5.023 . 0 0 "[ . 1]" 1
2489 1 242 HIS HA 1 245 SER H 3.430 . 3.430 3.556 3.439 3.652 0.222 4 0 "[ . 1]" 1
2490 1 243 ILE H 1 243 ILE MG 4.370 . 4.370 2.552 2.187 3.565 . 0 0 "[ . 1]" 1
2491 1 243 ILE H 1 244 ASN H 4.100 . 4.100 2.498 2.339 2.736 . 0 0 "[ . 1]" 1
2492 1 243 ILE HA 1 245 SER H 4.170 . 4.170 4.232 4.008 4.292 0.122 7 0 "[ . 1]" 1
2493 1 243 ILE HB 1 247 ALA MB 5.500 . 5.500 4.556 3.544 5.472 . 0 0 "[ . 1]" 1
2494 1 243 ILE MD 1 243 ILE MG 3.550 . 3.550 2.024 1.796 3.165 0.004 7 0 "[ . 1]" 1
2495 1 243 ILE MD 1 247 ALA MB 4.820 . 4.820 4.450 3.736 4.882 0.062 7 0 "[ . 1]" 1
2496 1 243 ILE MG 1 244 ASN H 4.400 . 4.400 3.107 2.228 4.093 . 0 0 "[ . 1]" 1
2497 1 244 ASN H 1 244 ASN HB2 3.370 . 3.370 2.359 2.176 2.488 . 0 0 "[ . 1]" 1
2498 1 244 ASN H 1 244 ASN HB3 3.780 . 3.780 2.804 2.562 3.598 . 0 0 "[ . 1]" 1
2499 1 244 ASN H 1 244 ASN HD22 5.200 . 5.200 4.242 3.821 4.434 . 0 0 "[ . 1]" 1
2500 1 244 ASN H 1 245 SER H 3.580 . 3.580 2.734 2.532 2.907 . 0 0 "[ . 1]" 1
2501 1 244 ASN HA 1 247 ALA MB 3.760 . 3.760 2.462 2.311 2.637 . 0 0 "[ . 1]" 1
2502 1 244 ASN HB2 1 245 SER H 3.850 . 3.850 3.478 2.336 3.704 . 0 0 "[ . 1]" 1
2503 1 244 ASN HB2 1 245 SER HA 5.210 . 5.210 5.333 4.290 5.489 0.279 1 0 "[ . 1]" 1
2504 1 244 ASN HB3 1 245 SER H 4.040 . 4.040 2.468 2.217 3.258 . 0 0 "[ . 1]" 1
2505 1 244 ASN HD22 1 245 SER H 5.500 . 5.500 4.536 3.878 5.197 . 0 0 "[ . 1]" 1
2506 1 245 SER H 1 246 THR H 3.730 . 3.730 2.639 2.537 2.826 . 0 0 "[ . 1]" 1
2507 1 245 SER H 1 247 ALA H 4.640 . 4.640 4.411 4.204 4.646 0.006 5 0 "[ . 1]" 1
2508 1 245 SER HA 1 247 ALA MB 5.110 . 5.110 4.969 4.836 5.239 0.129 5 0 "[ . 1]" 1
2509 1 245 SER HB2 1 246 THR H 3.580 . 3.580 2.666 2.397 3.651 0.071 6 0 "[ . 1]" 1
2510 1 246 THR H 1 246 THR MG 3.540 . 3.540 3.616 2.278 3.826 0.286 6 0 "[ . 1]" 1
2511 1 246 THR H 1 247 ALA H 4.150 . 4.150 2.681 2.368 2.885 . 0 0 "[ . 1]" 1
2512 1 246 THR HA 1 246 THR MG 3.670 . 3.670 2.475 2.346 3.228 . 0 0 "[ . 1]" 1
2513 1 246 THR MG 1 247 ALA HA 3.300 . 3.300 3.388 3.225 3.434 0.134 7 0 "[ . 1]" 1
2514 1 246 THR MG 1 250 ALA H 5.500 . 5.500 4.079 3.912 4.760 . 0 0 "[ . 1]" 1
2515 1 247 ALA H 1 247 ALA MB 3.190 . 3.190 2.196 2.166 2.225 . 0 0 "[ . 1]" 1
2516 1 247 ALA H 1 250 ALA H 5.500 . 5.500 4.770 4.660 4.838 . 0 0 "[ . 1]" 1
2517 1 247 ALA MB 1 248 ARG H 3.530 . 3.530 2.298 2.164 2.396 . 0 0 "[ . 1]" 1
2518 1 247 ALA MB 1 250 ALA H 4.830 . 4.830 4.576 4.434 4.664 . 0 0 "[ . 1]" 1
2519 1 247 ALA MB 1 251 VAL MG1 5.410 . 5.410 3.859 3.726 4.081 . 0 0 "[ . 1]" 1
2520 1 248 ARG H 1 249 GLU H 3.500 . 3.500 2.753 2.591 2.887 . 0 0 "[ . 1]" 1
2521 1 248 ARG H 1 250 ALA H 4.550 . 4.550 4.252 4.133 4.385 . 0 0 "[ . 1]" 1
2522 1 248 ARG H 1 251 VAL MG1 4.290 . 4.290 4.038 3.928 4.226 . 0 0 "[ . 1]" 1
2523 1 248 ARG HA 1 250 ALA H 4.700 . 4.700 4.570 4.372 4.721 0.021 10 0 "[ . 1]" 1
2524 1 248 ARG HA 1 251 VAL H 4.400 . 4.400 4.134 3.996 4.294 . 0 0 "[ . 1]" 1
2525 1 248 ARG HA 1 251 VAL HB 4.050 . 4.050 4.161 4.068 4.245 0.195 2 0 "[ . 1]" 1
2526 1 248 ARG HA 1 251 VAL MG1 3.570 . 3.570 2.048 1.969 2.152 . 0 0 "[ . 1]" 1
2527 1 248 ARG HA 1 252 VAL H 4.830 . 4.830 3.903 3.761 4.042 . 0 0 "[ . 1]" 1
2528 1 249 GLU H 1 249 GLU HB2 3.870 . 3.870 2.470 2.357 2.604 . 0 0 "[ . 1]" 1
2529 1 249 GLU H 1 249 GLU HG3 5.180 . 5.180 3.675 1.986 4.515 . 0 0 "[ . 1]" 1
2530 1 249 GLU H 1 250 ALA H 3.530 . 3.530 2.762 2.681 2.823 . 0 0 "[ . 1]" 1
2531 1 249 GLU H 1 251 VAL H 4.760 . 4.760 4.767 4.690 4.828 0.068 1 0 "[ . 1]" 1
2532 1 249 GLU H 1 252 VAL H 5.500 . 5.500 4.994 4.859 5.107 . 0 0 "[ . 1]" 1
2533 1 249 GLU H 1 252 VAL MG2 5.320 . 5.320 4.810 3.915 5.031 . 0 0 "[ . 1]" 1
2534 1 249 GLU HA 1 249 GLU HG2 3.960 . 3.960 3.193 2.514 3.772 . 0 0 "[ . 1]" 1
2535 1 249 GLU HA 1 252 VAL HB 4.180 . 4.180 3.022 2.590 4.662 0.482 8 0 "[ . 1]" 1
2536 1 249 GLU HA 1 252 VAL MG1 3.580 . 3.580 3.826 3.729 3.901 0.321 10 0 "[ . 1]" 1
2537 1 249 GLU HA 1 252 VAL MG2 3.910 . 3.910 3.537 1.986 3.935 0.025 10 0 "[ . 1]" 1
2538 1 249 GLU HB3 1 250 ALA H 4.110 . 4.110 2.995 2.427 3.726 . 0 0 "[ . 1]" 1
2539 1 249 GLU HG2 1 250 ALA H 4.920 . 4.920 4.625 3.988 4.975 0.055 6 0 "[ . 1]" 1
2540 1 250 ALA H 1 251 VAL H 3.440 . 3.440 2.958 2.848 3.031 . 0 0 "[ . 1]" 1
2541 1 250 ALA H 1 251 VAL MG1 4.390 . 4.390 3.919 3.813 4.042 . 0 0 "[ . 1]" 1
2542 1 250 ALA MB 1 253 ARG H 5.500 . 5.500 4.616 4.395 4.782 . 0 0 "[ . 1]" 1
2543 1 251 VAL H 1 251 VAL HB 4.140 . 4.140 2.489 2.451 2.523 . 0 0 "[ . 1]" 1
2544 1 251 VAL H 1 251 VAL MG1 3.300 . 3.300 2.402 2.279 2.533 . 0 0 "[ . 1]" 1
2545 1 251 VAL H 1 251 VAL MG2 3.760 . 3.760 3.785 3.752 3.806 0.046 1 0 "[ . 1]" 1
2546 1 251 VAL H 1 252 VAL H 3.570 . 3.570 3.132 3.038 3.257 . 0 0 "[ . 1]" 1
2547 1 251 VAL H 1 253 ARG H 4.080 . 4.080 4.290 4.030 4.431 0.351 6 0 "[ . 1]" 1
2548 1 251 VAL H 1 254 ALA H 4.830 . 4.830 4.861 4.808 4.900 0.070 2 0 "[ . 1]" 1
2549 1 251 VAL HA 1 251 VAL MG1 3.260 . 3.260 3.235 3.224 3.242 . 0 0 "[ . 1]" 1
2550 1 251 VAL HA 1 251 VAL MG2 3.240 . 3.240 2.319 2.288 2.359 . 0 0 "[ . 1]" 1
2551 1 251 VAL HA 1 254 ALA H 4.790 . 4.790 3.895 3.790 3.971 . 0 0 "[ . 1]" 1
2552 1 251 VAL HA 1 254 ALA MB 3.580 . 3.580 3.180 3.025 3.292 . 0 0 "[ . 1]" 1
2553 1 251 VAL HA 1 255 GLY H 5.500 . 5.500 5.104 4.741 5.405 . 0 0 "[ . 1]" 1
2554 1 251 VAL HA 1 256 PHE QD 4.240 . 4.240 3.344 2.969 3.592 . 0 0 "[ . 1]" 1
2555 1 251 VAL HA 1 256 PHE QE 5.110 . 5.110 4.803 4.502 5.131 0.021 3 0 "[ . 1]" 1
2556 1 251 VAL HB 1 252 VAL H 3.620 . 3.620 3.775 3.740 3.811 0.191 9 0 "[ . 1]" 1
2557 1 251 VAL HB 1 252 VAL MG2 5.000 . 5.000 4.940 4.856 5.166 0.166 8 0 "[ . 1]" 1
2558 1 251 VAL MG1 1 252 VAL H 3.500 . 3.500 1.814 1.755 1.871 0.045 3 0 "[ . 1]" 1
2559 1 251 VAL MG1 1 252 VAL HB 4.840 . 4.840 3.571 3.412 4.320 . 0 0 "[ . 1]" 1
2560 1 251 VAL MG1 1 252 VAL MG2 3.680 . 3.680 2.284 2.144 3.008 . 0 0 "[ . 1]" 1
2561 1 251 VAL MG1 1 253 ARG H 3.970 . 3.970 4.033 3.935 4.117 0.147 6 0 "[ . 1]" 1
2562 1 251 VAL MG1 1 254 ALA MB 5.500 . 5.500 5.197 5.053 5.303 . 0 0 "[ . 1]" 1
2563 1 251 VAL MG1 1 256 PHE HB2 4.860 . 4.860 3.667 3.400 3.930 . 0 0 "[ . 1]" 1
2564 1 251 VAL MG2 1 252 VAL H 4.300 . 4.300 3.412 3.347 3.498 . 0 0 "[ . 1]" 1
2565 1 251 VAL MG2 1 253 ARG H 4.990 . 4.990 5.078 4.737 5.218 0.228 3 0 "[ . 1]" 1
2566 1 251 VAL MG2 1 254 ALA H 5.230 . 5.230 5.215 5.085 5.307 0.077 5 0 "[ . 1]" 1
2567 1 251 VAL MG2 1 254 ALA MB 4.190 . 4.190 4.131 3.962 4.238 0.048 10 0 "[ . 1]" 1
2568 1 251 VAL MG2 1 256 PHE H 4.430 . 4.430 4.215 4.028 4.506 0.076 4 0 "[ . 1]" 1
2569 1 251 VAL MG2 1 256 PHE HA 4.280 . 4.280 4.297 4.135 4.475 0.195 2 0 "[ . 1]" 1
2570 1 251 VAL MG2 1 256 PHE HB2 3.910 . 3.910 2.008 1.812 2.218 . 0 0 "[ . 1]" 1
2571 1 251 VAL MG2 1 256 PHE QD 4.390 . 4.390 2.833 2.578 2.990 . 0 0 "[ . 1]" 1
2572 1 251 VAL MG2 1 256 PHE QE 4.060 . 4.060 3.856 3.303 4.168 0.108 10 0 "[ . 1]" 1
2573 1 251 VAL MG2 1 257 ASP H 5.220 . 5.220 5.106 4.532 5.533 0.313 5 0 "[ . 1]" 1
2574 1 252 VAL H 1 252 VAL HB 3.450 . 3.450 2.463 2.301 3.610 0.160 8 0 "[ . 1]" 1
2575 1 252 VAL H 1 252 VAL MG2 2.990 . 2.990 2.260 1.933 2.408 . 0 0 "[ . 1]" 1
2576 1 252 VAL H 1 254 ALA H 4.790 . 4.790 4.708 4.592 4.915 0.125 5 0 "[ . 1]" 1
2577 1 252 VAL H 1 256 PHE HB2 5.500 . 5.500 4.210 3.690 4.453 . 0 0 "[ . 1]" 1
2578 1 252 VAL HA 1 252 VAL MG1 3.200 . 3.200 2.574 2.308 2.627 . 0 0 "[ . 1]" 1
2579 1 252 VAL HA 1 252 VAL MG2 3.030 . 3.030 2.365 2.256 3.168 0.138 8 0 "[ . 1]" 1
2580 1 252 VAL MG1 1 253 ARG H 3.470 . 3.470 2.991 2.665 3.749 0.279 8 0 "[ . 1]" 1
2581 1 252 VAL MG2 1 253 ARG H 5.150 . 5.150 3.616 2.023 4.095 . 0 0 "[ . 1]" 1
2582 1 253 ARG H 1 254 ALA H 3.370 . 3.370 3.134 2.741 3.240 . 0 0 "[ . 1]" 1
2583 1 253 ARG H 1 254 ALA MB 5.500 . 5.500 4.631 4.222 4.766 . 0 0 "[ . 1]" 1
2584 1 254 ALA H 1 254 ALA MB 3.140 . 3.140 2.187 2.161 2.219 . 0 0 "[ . 1]" 1
2585 1 254 ALA H 1 255 GLY H 3.250 . 3.250 3.041 2.812 3.129 . 0 0 "[ . 1]" 1
2586 1 254 ALA MB 1 255 GLY H 3.750 . 3.750 3.230 2.861 3.407 . 0 0 "[ . 1]" 1
2587 1 254 ALA MB 1 256 PHE HB2 4.610 . 4.610 4.141 3.882 4.414 . 0 0 "[ . 1]" 1
2588 1 254 ALA MB 1 256 PHE QD 3.480 . 3.480 2.692 2.529 2.866 . 0 0 "[ . 1]" 1
2589 1 254 ALA MB 1 256 PHE QE 3.430 . 3.430 3.548 3.418 3.634 0.204 8 0 "[ . 1]" 1
2590 1 255 GLY HA3 1 257 ASP H 4.800 . 4.800 4.949 4.677 5.322 0.522 8 1 "[ . + 1]" 1
2591 1 256 PHE H 1 256 PHE HB2 3.930 . 3.930 2.645 2.527 2.959 . 0 0 "[ . 1]" 1
2592 1 256 PHE H 1 256 PHE HB3 3.960 . 3.960 3.631 3.526 3.850 . 0 0 "[ . 1]" 1
2593 1 256 PHE H 1 256 PHE QD 4.250 . 4.250 3.578 2.456 3.892 . 0 0 "[ . 1]" 1
2594 1 256 PHE H 1 257 ASP H 3.770 . 3.770 2.503 1.598 4.062 0.292 7 0 "[ . 1]" 1
2595 1 256 PHE HA 1 256 PHE QD 3.500 . 3.500 2.833 2.719 2.963 . 0 0 "[ . 1]" 1
2596 1 256 PHE HB2 1 257 ASP H 4.760 . 4.760 3.953 3.253 4.594 . 0 0 "[ . 1]" 1
2597 1 257 ASP H 1 257 ASP HA 2.890 . 2.890 2.713 2.241 2.931 0.041 6 0 "[ . 1]" 1
2598 1 257 ASP H 1 257 ASP QB 3.210 . 3.210 2.826 2.459 3.156 . 0 0 "[ . 1]" 1
2599 1 257 ASP H 1 258 SER H 3.120 . 3.120 2.798 1.765 3.568 0.448 2 0 "[ . 1]" 1
2600 1 257 ASP HA 1 258 SER H 2.830 . 2.830 2.603 2.156 3.367 0.537 3 2 "[ + . - 1]" 1
2601 1 257 ASP QB 1 258 SER HB2 5.190 . 5.190 5.150 4.507 5.586 0.396 2 0 "[ . 1]" 1
2602 1 258 SER H 1 258 SER HB2 3.290 . 3.290 2.838 2.287 3.448 0.158 5 0 "[ . 1]" 1
2603 1 258 SER H 1 258 SER HB3 3.260 . 3.260 3.164 2.508 3.830 0.570 7 2 "[ - + 1]" 1
2604 1 258 SER HA 1 258 SER HB2 2.580 . 2.580 2.722 2.455 2.973 0.393 3 0 "[ . 1]" 1
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