NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
412789 |
2bjc   |
7354 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2bjc
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 1648
_Distance_constraint_stats_list.Viol_count 6532
_Distance_constraint_stats_list.Viol_total 10986.430
_Distance_constraint_stats_list.Viol_max 0.812
_Distance_constraint_stats_list.Viol_rms 0.0578
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0260
_Distance_constraint_stats_list.Viol_average_violations_only 0.1051
_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 2 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 3 PRO 0.326 0.079 6 0 "[ . 1 . ]"
1 4 VAL 5.540 0.250 8 0 "[ . 1 . ]"
1 5 THR 5.318 0.250 8 0 "[ . 1 . ]"
1 6 LEU 2.733 0.118 6 0 "[ . 1 . ]"
1 7 TYR 4.400 0.148 8 0 "[ . 1 . ]"
1 8 ASP 12.660 0.264 3 0 "[ . 1 . ]"
1 9 VAL 7.695 0.198 13 0 "[ . 1 . ]"
1 10 ALA 1.602 0.065 8 0 "[ . 1 . ]"
1 11 GLU 12.335 0.264 3 0 "[ . 1 . ]"
1 12 TYR 13.853 0.207 8 0 "[ . 1 . ]"
1 13 ALA 7.794 0.196 3 0 "[ . 1 . ]"
1 14 GLY 3.569 0.143 6 0 "[ . 1 . ]"
1 15 VAL 2.871 0.130 4 0 "[ . 1 . ]"
1 16 SER 2.443 0.176 15 0 "[ . 1 . ]"
1 17 VAL 3.147 0.213 5 0 "[ . 1 . ]"
1 18 ALA 0.961 0.091 10 0 "[ . 1 . ]"
1 19 THR 3.894 0.176 15 0 "[ . 1 . ]"
1 20 VAL 1.615 0.116 9 0 "[ . 1 . ]"
1 21 SER 2.774 0.211 6 0 "[ . 1 . ]"
1 22 ARG 13.517 0.353 11 0 "[ . 1 . ]"
1 23 VAL 4.588 0.232 12 0 "[ . 1 . ]"
1 24 VAL 1.478 0.130 9 0 "[ . 1 . ]"
1 25 ASN 12.698 0.651 15 1 "[ . 1 + ]"
1 26 GLN 9.682 0.812 16 1 "[ . 1 .+]"
1 27 ALA 12.027 0.812 16 2 "[ . 1 -+]"
1 28 SER 6.288 0.198 10 0 "[ . 1 . ]"
1 29 HIS 3.570 0.235 16 0 "[ . 1 . ]"
1 30 VAL 5.871 0.354 5 0 "[ . 1 . ]"
1 31 SER 2.067 0.354 5 0 "[ . 1 . ]"
1 32 ALA 1.102 0.194 8 0 "[ . 1 . ]"
1 33 LYS 5.992 0.186 12 0 "[ . 1 . ]"
1 34 THR 10.139 0.228 11 0 "[ . 1 . ]"
1 35 ARG 11.423 0.194 8 0 "[ . 1 . ]"
1 36 GLU 12.454 0.199 14 0 "[ . 1 . ]"
1 37 LYS 11.438 0.228 11 0 "[ . 1 . ]"
1 38 VAL 8.960 0.261 11 0 "[ . 1 . ]"
1 39 GLU 13.129 0.288 11 0 "[ . 1 . ]"
1 40 ALA 6.311 0.177 13 0 "[ . 1 . ]"
1 41 ALA 5.848 0.244 15 0 "[ . 1 . ]"
1 42 MET 6.905 0.244 15 0 "[ . 1 . ]"
1 43 ALA 3.297 0.155 14 0 "[ . 1 . ]"
1 44 GLU 16.353 0.245 8 0 "[ . 1 . ]"
1 45 LEU 12.795 0.279 7 0 "[ . 1 . ]"
1 46 ASN 9.932 0.284 9 0 "[ . 1 . ]"
1 47 TYR 0.473 0.058 15 0 "[ . 1 . ]"
1 48 ILE 0.604 0.169 14 0 "[ . 1 . ]"
1 49 PRO 2.152 0.357 13 0 "[ . 1 . ]"
1 50 ASN 5.682 0.357 13 0 "[ . 1 . ]"
1 51 ARG 6.488 0.197 13 0 "[ . 1 . ]"
1 52 CYS 12.300 0.280 13 0 "[ . 1 . ]"
1 53 ALA 3.080 0.156 12 0 "[ . 1 . ]"
1 54 GLN 2.748 0.142 14 0 "[ . 1 . ]"
1 55 GLN 7.729 0.209 5 0 "[ . 1 . ]"
1 56 LEU 7.121 0.260 10 0 "[ . 1 . ]"
1 57 ALA 2.774 0.107 7 0 "[ . 1 . ]"
1 58 GLY 4.178 0.212 11 0 "[ . 1 . ]"
1 59 LYS 8.262 0.451 4 0 "[ . 1 . ]"
1 60 GLN 10.578 0.191 11 0 "[ . 1 . ]"
1 61 SER 3.903 0.205 6 0 "[ . 1 . ]"
1 62 LEU 1.760 0.198 7 0 "[ . 1 . ]"
2 2 LYS 0.000 0.000 . 0 "[ . 1 . ]"
2 3 PRO 0.279 0.051 7 0 "[ . 1 . ]"
2 4 VAL 5.217 0.245 12 0 "[ . 1 . ]"
2 5 THR 5.106 0.245 12 0 "[ . 1 . ]"
2 6 LEU 2.808 0.144 5 0 "[ . 1 . ]"
2 7 TYR 4.395 0.143 8 0 "[ . 1 . ]"
2 8 ASP 12.397 0.274 11 0 "[ . 1 . ]"
2 9 VAL 7.626 0.201 16 0 "[ . 1 . ]"
2 10 ALA 1.596 0.074 8 0 "[ . 1 . ]"
2 11 GLU 12.292 0.274 11 0 "[ . 1 . ]"
2 12 TYR 13.669 0.223 8 0 "[ . 1 . ]"
2 13 ALA 7.747 0.197 14 0 "[ . 1 . ]"
2 14 GLY 3.664 0.140 14 0 "[ . 1 . ]"
2 15 VAL 3.082 0.126 6 0 "[ . 1 . ]"
2 16 SER 1.990 0.148 1 0 "[ . 1 . ]"
2 17 VAL 3.139 0.210 15 0 "[ . 1 . ]"
2 18 ALA 1.030 0.115 14 0 "[ . 1 . ]"
2 19 THR 3.671 0.148 1 0 "[ . 1 . ]"
2 20 VAL 1.623 0.113 8 0 "[ . 1 . ]"
2 21 SER 2.640 0.211 14 0 "[ . 1 . ]"
2 22 ARG 13.356 0.348 16 0 "[ . 1 . ]"
2 23 VAL 4.361 0.229 12 0 "[ . 1 . ]"
2 24 VAL 1.225 0.111 9 0 "[ . 1 . ]"
2 25 ASN 11.864 0.673 15 1 "[ . 1 + ]"
2 26 GLN 9.653 0.805 16 1 "[ . 1 .+]"
2 27 ALA 11.957 0.805 16 2 "[ . 1 -+]"
2 28 SER 5.940 0.205 10 0 "[ . 1 . ]"
2 29 HIS 3.461 0.255 16 0 "[ . 1 . ]"
2 30 VAL 5.992 0.320 16 0 "[ . 1 . ]"
2 31 SER 2.537 0.320 16 0 "[ . 1 . ]"
2 32 ALA 1.144 0.139 8 0 "[ . 1 . ]"
2 33 LYS 6.993 0.190 10 0 "[ . 1 . ]"
2 34 THR 10.051 0.219 12 0 "[ . 1 . ]"
2 35 ARG 11.498 0.188 4 0 "[ . 1 . ]"
2 36 GLU 12.525 0.192 13 0 "[ . 1 . ]"
2 37 LYS 11.421 0.219 12 0 "[ . 1 . ]"
2 38 VAL 9.145 0.264 14 0 "[ . 1 . ]"
2 39 GLU 13.559 0.293 4 0 "[ . 1 . ]"
2 40 ALA 6.374 0.174 8 0 "[ . 1 . ]"
2 41 ALA 5.699 0.237 15 0 "[ . 1 . ]"
2 42 MET 6.903 0.237 15 0 "[ . 1 . ]"
2 43 ALA 2.985 0.156 10 0 "[ . 1 . ]"
2 44 GLU 16.189 0.251 2 0 "[ . 1 . ]"
2 45 LEU 12.512 0.298 5 0 "[ . 1 . ]"
2 46 ASN 9.941 0.298 5 0 "[ . 1 . ]"
2 47 TYR 0.374 0.078 15 0 "[ . 1 . ]"
2 48 ILE 1.065 0.189 5 0 "[ . 1 . ]"
2 49 PRO 1.995 0.198 16 0 "[ . 1 . ]"
2 50 ASN 5.998 0.248 14 0 "[ . 1 . ]"
2 51 ARG 6.752 0.180 14 0 "[ . 1 . ]"
2 52 CYS 13.560 0.248 14 0 "[ . 1 . ]"
2 53 ALA 3.996 0.156 10 0 "[ . 1 . ]"
2 54 GLN 2.740 0.141 6 0 "[ . 1 . ]"
2 55 GLN 8.530 0.205 5 0 "[ . 1 . ]"
2 56 LEU 8.056 0.248 4 0 "[ . 1 . ]"
2 57 ALA 3.496 0.117 7 0 "[ . 1 . ]"
2 58 GLY 4.208 0.189 1 0 "[ . 1 . ]"
2 59 LYS 8.187 0.452 4 0 "[ . 1 . ]"
2 60 GLN 10.432 0.190 7 0 "[ . 1 . ]"
2 61 SER 4.164 0.204 6 0 "[ . 1 . ]"
2 62 LEU 1.674 0.198 7 0 "[ . 1 . ]"
3 1 DG 3.783 0.155 2 0 "[ . 1 . ]"
3 2 DA 6.830 0.164 14 0 "[ . 1 . ]"
3 3 DA 4.821 0.167 10 0 "[ . 1 . ]"
3 4 DT 2.136 0.156 10 0 "[ . 1 . ]"
3 5 DT 0.023 0.013 14 0 "[ . 1 . ]"
3 6 DG 0.447 0.096 2 0 "[ . 1 . ]"
3 7 DT 2.873 0.227 10 0 "[ . 1 . ]"
3 8 DA 3.742 0.174 9 0 "[ . 1 . ]"
3 9 DA 8.300 0.245 11 0 "[ . 1 . ]"
3 10 DG 3.192 0.150 15 0 "[ . 1 . ]"
3 11 DC 10.806 0.283 15 0 "[ . 1 . ]"
3 12 DG 7.238 0.251 5 0 "[ . 1 . ]"
3 13 DC 1.636 0.084 2 0 "[ . 1 . ]"
3 14 DT 5.264 0.297 16 0 "[ . 1 . ]"
3 15 DT 0.674 0.086 15 0 "[ . 1 . ]"
3 16 DA 2.171 0.162 10 0 "[ . 1 . ]"
3 17 DC 1.483 0.082 10 0 "[ . 1 . ]"
3 18 DA 2.310 0.155 16 0 "[ . 1 . ]"
3 19 DA 2.746 0.221 2 0 "[ . 1 . ]"
3 20 DT 12.391 0.279 5 0 "[ . 1 . ]"
3 21 DT 19.538 0.289 13 0 "[ . 1 . ]"
3 22 DC 12.418 0.242 2 0 "[ . 1 . ]"
4 1 DG 3.556 0.130 2 0 "[ . 1 . ]"
4 2 DA 6.706 0.162 14 0 "[ . 1 . ]"
4 3 DA 4.826 0.157 10 0 "[ . 1 . ]"
4 4 DT 2.109 0.157 10 0 "[ . 1 . ]"
4 5 DT 0.046 0.027 6 0 "[ . 1 . ]"
4 6 DG 0.413 0.104 2 0 "[ . 1 . ]"
4 7 DT 2.879 0.225 10 0 "[ . 1 . ]"
4 8 DA 3.695 0.174 4 0 "[ . 1 . ]"
4 9 DA 8.278 0.245 1 0 "[ . 1 . ]"
4 10 DG 2.709 0.152 2 0 "[ . 1 . ]"
4 11 DC 10.250 0.281 15 0 "[ . 1 . ]"
4 12 DG 7.027 0.241 5 0 "[ . 1 . ]"
4 13 DC 1.540 0.085 7 0 "[ . 1 . ]"
4 14 DT 5.306 0.295 8 0 "[ . 1 . ]"
4 15 DT 0.557 0.076 12 0 "[ . 1 . ]"
4 16 DA 2.125 0.155 10 0 "[ . 1 . ]"
4 17 DC 1.399 0.092 15 0 "[ . 1 . ]"
4 18 DA 2.294 0.155 11 0 "[ . 1 . ]"
4 19 DA 2.832 0.266 2 0 "[ . 1 . ]"
4 20 DT 12.421 0.277 2 0 "[ . 1 . ]"
4 21 DT 19.729 0.291 7 0 "[ . 1 . ]"
4 22 DC 12.547 0.241 2 0 "[ . 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 3 PRO HA 1 4 VAL H 2.800 . 2.800 2.631 2.410 2.799 . 0 0 "[ . 1 . ]" 1
2 1 3 PRO HB3 1 4 VAL H 2.800 . 2.800 2.741 2.603 2.879 0.079 6 0 "[ . 1 . ]" 1
3 1 3 PRO HB2 1 4 VAL H 2.800 . 2.800 2.427 2.123 2.863 0.063 14 0 "[ . 1 . ]" 1
4 1 4 VAL H 1 4 VAL HA 2.800 . 2.800 2.844 2.807 2.915 0.115 6 0 "[ . 1 . ]" 1
5 1 4 VAL H 1 4 VAL HB 2.800 . 2.800 2.771 2.677 2.854 0.054 16 0 "[ . 1 . ]" 1
6 1 4 VAL HB 1 5 THR H 3.400 . 3.400 3.583 3.482 3.650 0.250 8 0 "[ . 1 . ]" 1
7 1 4 VAL H 1 5 THR H 5.000 . 5.000 4.598 4.523 4.643 . 0 0 "[ . 1 . ]" 1
8 1 5 THR HA 1 6 LEU H 3.400 . 3.400 2.590 2.515 2.686 . 0 0 "[ . 1 . ]" 1
9 1 5 THR HB 1 6 LEU H 3.400 . 3.400 1.930 1.798 2.119 0.002 5 0 "[ . 1 . ]" 1
10 1 6 LEU H 1 6 LEU HB3 3.400 . 3.400 3.394 3.337 3.466 0.066 5 0 "[ . 1 . ]" 1
11 1 5 THR HA 1 7 TYR H 5.000 . 5.000 4.229 4.120 4.312 . 0 0 "[ . 1 . ]" 1
12 1 5 THR HB 1 7 TYR H 3.400 . 3.400 2.501 2.340 2.595 . 0 0 "[ . 1 . ]" 1
13 1 5 THR H 1 7 TYR H 5.000 . 5.000 4.448 4.303 4.587 . 0 0 "[ . 1 . ]" 1
14 1 6 LEU HA 1 7 TYR H 5.000 . 5.000 3.444 3.412 3.465 . 0 0 "[ . 1 . ]" 1
15 1 6 LEU HB2 1 7 TYR H 3.400 . 3.400 3.466 3.412 3.518 0.118 6 0 "[ . 1 . ]" 1
16 1 6 LEU H 1 7 TYR H 3.400 . 3.400 2.460 2.375 2.519 . 0 0 "[ . 1 . ]" 1
17 1 7 TYR H 1 7 TYR HB3 3.400 . 3.400 3.516 3.463 3.548 0.148 8 0 "[ . 1 . ]" 1
18 1 7 TYR H 1 7 TYR HB2 3.400 . 3.400 2.290 2.158 2.720 . 0 0 "[ . 1 . ]" 1
19 1 7 TYR H 1 7 TYR QE 5.000 . 5.000 4.506 4.209 4.794 . 0 0 "[ . 1 . ]" 1
20 1 5 THR H 1 8 ASP HA 5.000 . 5.000 4.884 4.806 5.006 0.006 6 0 "[ . 1 . ]" 1
21 1 5 THR H 1 8 ASP HB3 3.400 . 3.400 3.549 3.500 3.625 0.225 8 0 "[ . 1 . ]" 1
22 1 5 THR H 1 8 ASP HB2 3.400 . 3.400 2.154 2.044 2.281 . 0 0 "[ . 1 . ]" 1
23 1 5 THR H 1 8 ASP H 3.400 . 3.400 3.218 3.145 3.335 . 0 0 "[ . 1 . ]" 1
24 1 7 TYR HA 1 8 ASP H 3.400 . 3.400 3.492 3.483 3.509 0.109 6 0 "[ . 1 . ]" 1
25 1 7 TYR H 1 8 ASP H 2.800 . 2.800 2.519 2.495 2.553 . 0 0 "[ . 1 . ]" 1
26 1 8 ASP H 1 8 ASP HB3 3.400 . 3.400 3.482 3.356 3.510 0.110 8 0 "[ . 1 . ]" 1
27 1 8 ASP H 1 8 ASP HB2 2.800 . 2.800 2.280 2.087 2.415 . 0 0 "[ . 1 . ]" 1
28 1 8 ASP HB3 1 9 VAL H 3.400 . 3.400 3.160 2.786 3.301 . 0 0 "[ . 1 . ]" 1
29 1 9 VAL H 1 9 VAL HB 3.400 . 3.400 3.433 3.418 3.453 0.053 15 0 "[ . 1 . ]" 1
30 1 6 LEU HA 1 10 ALA H 5.000 . 5.000 3.763 3.711 3.829 . 0 0 "[ . 1 . ]" 1
31 1 7 TYR HA 1 10 ALA H 5.000 . 5.000 3.645 3.583 3.760 . 0 0 "[ . 1 . ]" 1
32 1 8 ASP HB2 1 10 ALA H 5.000 . 5.000 4.552 4.494 4.910 . 0 0 "[ . 1 . ]" 1
33 1 9 VAL HA 1 10 ALA H 3.400 . 3.400 3.440 3.431 3.446 0.046 8 0 "[ . 1 . ]" 1
34 1 9 VAL HB 1 10 ALA H 5.000 . 5.000 4.415 4.393 4.434 . 0 0 "[ . 1 . ]" 1
35 1 9 VAL H 1 10 ALA H 2.800 . 2.800 2.618 2.580 2.654 . 0 0 "[ . 1 . ]" 1
36 1 10 ALA H 1 10 ALA MB 2.800 . 2.800 2.281 2.264 2.298 . 0 0 "[ . 1 . ]" 1
37 1 8 ASP HA 1 11 GLU H 3.400 . 3.400 3.455 3.413 3.508 0.108 8 0 "[ . 1 . ]" 1
38 1 8 ASP H 1 11 GLU H 5.000 . 5.000 4.464 4.389 4.560 . 0 0 "[ . 1 . ]" 1
39 1 9 VAL HA 1 11 GLU H 3.700 2.100 3.700 3.851 3.818 3.872 0.172 13 0 "[ . 1 . ]" 1
40 1 9 VAL HB 1 11 GLU H 6.000 2.800 6.000 5.792 5.756 5.830 . 0 0 "[ . 1 . ]" 1
41 1 10 ALA HA 1 11 GLU H 3.400 . 3.400 3.459 3.452 3.465 0.065 8 0 "[ . 1 . ]" 1
42 1 10 ALA MB 1 11 GLU H 3.400 . 3.400 2.607 2.553 2.659 . 0 0 "[ . 1 . ]" 1
43 1 10 ALA H 1 11 GLU H 3.400 . 3.400 2.359 2.324 2.398 . 0 0 "[ . 1 . ]" 1
44 1 11 GLU H 1 11 GLU HA 2.800 . 2.800 2.842 2.833 2.852 0.052 6 0 "[ . 1 . ]" 1
45 1 8 ASP HA 1 12 TYR H 5.000 . 5.000 4.065 4.012 4.127 . 0 0 "[ . 1 . ]" 1
46 1 9 VAL H 1 12 TYR H 5.000 . 5.000 4.609 4.570 4.670 . 0 0 "[ . 1 . ]" 1
47 1 10 ALA HA 1 12 TYR H 5.000 . 5.000 4.382 4.296 4.462 . 0 0 "[ . 1 . ]" 1
48 1 11 GLU HB2 1 12 TYR H 2.800 . 2.800 2.938 2.837 3.007 0.207 8 0 "[ . 1 . ]" 1
49 1 12 TYR H 1 12 TYR HA 2.800 . 2.800 2.789 2.780 2.797 . 0 0 "[ . 1 . ]" 1
50 1 12 TYR H 1 12 TYR HB3 2.800 . 2.800 2.925 2.906 2.952 0.152 16 0 "[ . 1 . ]" 1
51 1 12 TYR H 1 12 TYR HB2 2.800 . 2.800 1.949 1.909 1.988 . 0 0 "[ . 1 . ]" 1
52 1 12 TYR H 1 12 TYR QD 5.000 . 5.000 3.625 3.522 3.711 . 0 0 "[ . 1 . ]" 1
53 1 10 ALA HA 1 13 ALA H 5.000 . 5.000 3.583 3.493 3.652 . 0 0 "[ . 1 . ]" 1
54 1 12 TYR H 1 13 ALA MB 5.000 . 5.000 4.296 4.255 4.336 . 0 0 "[ . 1 . ]" 1
55 1 12 TYR HA 1 13 ALA H 3.400 . 3.400 3.460 3.444 3.474 0.074 5 0 "[ . 1 . ]" 1
56 1 12 TYR HB3 1 13 ALA H 2.800 . 2.800 1.987 1.915 2.072 . 0 0 "[ . 1 . ]" 1
57 1 12 TYR HB2 1 13 ALA H 2.800 . 2.800 2.906 2.840 2.952 0.152 12 0 "[ . 1 . ]" 1
58 1 12 TYR QD 1 13 ALA H 5.000 . 5.000 3.867 3.782 3.957 . 0 0 "[ . 1 . ]" 1
59 1 12 TYR H 1 13 ALA H 2.800 . 2.800 2.705 2.640 2.752 . 0 0 "[ . 1 . ]" 1
60 1 13 ALA H 1 13 ALA HA 2.800 . 2.800 2.783 2.761 2.808 0.008 6 0 "[ . 1 . ]" 1
61 1 13 ALA H 1 13 ALA MB 2.800 . 2.800 2.219 2.202 2.241 . 0 0 "[ . 1 . ]" 1
62 1 10 ALA HA 1 14 GLY H 5.000 . 5.000 4.101 3.974 4.195 . 0 0 "[ . 1 . ]" 1
63 1 12 TYR HB3 1 14 GLY H 5.000 . 5.000 4.378 4.323 4.435 . 0 0 "[ . 1 . ]" 1
64 1 13 ALA HA 1 14 GLY H 3.400 . 3.400 3.434 3.416 3.473 0.073 9 0 "[ . 1 . ]" 1
65 1 13 ALA MB 1 14 GLY H 3.400 . 3.400 2.982 2.822 3.057 . 0 0 "[ . 1 . ]" 1
66 1 13 ALA H 1 14 GLY H 2.800 . 2.800 2.713 2.599 2.777 . 0 0 "[ . 1 . ]" 1
67 1 14 GLY H 1 14 GLY HA2 2.800 . 2.800 2.899 2.872 2.943 0.143 6 0 "[ . 1 . ]" 1
68 1 10 ALA HA 1 15 VAL H 5.000 3.400 5.000 3.748 3.388 4.692 0.012 5 0 "[ . 1 . ]" 1
69 1 13 ALA HA 1 15 VAL H 5.000 . 5.000 4.961 4.554 5.130 0.130 4 0 "[ . 1 . ]" 1
70 1 13 ALA MB 1 15 VAL H 5.000 . 5.000 3.255 3.115 3.346 . 0 0 "[ . 1 . ]" 1
71 1 13 ALA H 1 15 VAL H 5.000 . 5.000 4.527 4.335 5.051 0.051 3 0 "[ . 1 . ]" 1
72 1 14 GLY HA2 1 15 VAL H 3.400 2.400 3.400 3.261 2.468 3.528 0.128 14 0 "[ . 1 . ]" 1
73 1 16 SER H 1 19 THR HA 5.000 . 5.000 5.082 5.031 5.176 0.176 15 0 "[ . 1 . ]" 1
74 1 15 VAL HB 1 16 SER H 3.400 . 3.400 1.785 1.763 1.850 0.037 15 0 "[ . 1 . ]" 1
75 1 15 VAL H 1 16 SER H 5.000 . 5.000 4.266 4.191 4.416 . 0 0 "[ . 1 . ]" 1
76 1 16 SER H 1 16 SER HB2 3.700 2.100 3.700 3.750 3.722 3.783 0.083 15 0 "[ . 1 . ]" 1
77 1 10 ALA MB 1 17 VAL H 5.000 . 5.000 3.484 3.435 3.592 . 0 0 "[ . 1 . ]" 1
78 1 15 VAL HB 1 17 VAL H 6.000 2.800 6.000 5.996 5.955 6.017 0.017 9 0 "[ . 1 . ]" 1
79 1 16 SER HA 1 17 VAL H 2.800 . 2.800 2.617 2.569 2.702 . 0 0 "[ . 1 . ]" 1
80 1 16 SER HB2 1 17 VAL H 3.400 . 3.400 2.189 2.048 2.267 . 0 0 "[ . 1 . ]" 1
81 1 16 SER H 1 17 VAL H 5.000 . 5.000 4.424 4.357 4.468 . 0 0 "[ . 1 . ]" 1
82 1 17 VAL H 1 17 VAL HB 3.400 . 3.400 3.593 3.577 3.613 0.213 5 0 "[ . 1 . ]" 1
83 1 16 SER HA 1 18 ALA H 5.000 . 5.000 4.048 3.973 4.153 . 0 0 "[ . 1 . ]" 1
84 1 17 VAL H 1 18 ALA MB 5.000 . 5.000 3.996 3.909 4.054 . 0 0 "[ . 1 . ]" 1
85 1 17 VAL HA 1 18 ALA H 5.000 . 5.000 3.361 3.329 3.390 . 0 0 "[ . 1 . ]" 1
86 1 17 VAL HB 1 18 ALA H 5.000 . 5.000 4.103 4.043 4.155 . 0 0 "[ . 1 . ]" 1
87 1 17 VAL H 1 18 ALA H 3.400 . 3.400 2.330 2.238 2.383 . 0 0 "[ . 1 . ]" 1
88 1 18 ALA H 1 18 ALA MB 3.400 . 3.400 2.230 2.204 2.247 . 0 0 "[ . 1 . ]" 1
89 1 15 VAL HB 1 19 THR H 5.000 . 5.000 3.940 3.868 3.983 . 0 0 "[ . 1 . ]" 1
90 1 16 SER H 1 19 THR H 5.000 . 5.000 3.252 3.138 3.373 . 0 0 "[ . 1 . ]" 1
91 1 17 VAL HA 1 19 THR H 5.000 . 5.000 3.985 3.774 4.090 . 0 0 "[ . 1 . ]" 1
92 1 17 VAL H 1 19 THR H 5.000 . 5.000 4.106 4.010 4.195 . 0 0 "[ . 1 . ]" 1
93 1 18 ALA H 1 19 THR HA 5.000 . 5.000 5.060 5.038 5.091 0.091 10 0 "[ . 1 . ]" 1
94 1 18 ALA MB 1 19 THR H 3.400 . 3.400 2.693 2.586 2.819 . 0 0 "[ . 1 . ]" 1
95 1 18 ALA H 1 19 THR H 3.400 . 3.400 2.451 2.423 2.490 . 0 0 "[ . 1 . ]" 1
96 1 19 THR H 1 19 THR HB 3.400 . 3.400 2.945 2.830 3.040 . 0 0 "[ . 1 . ]" 1
97 1 17 VAL HA 1 20 VAL H 3.400 . 3.400 3.282 3.100 3.372 . 0 0 "[ . 1 . ]" 1
98 1 18 ALA H 1 20 VAL H 5.000 . 5.000 4.093 3.948 4.185 . 0 0 "[ . 1 . ]" 1
99 1 19 THR H 1 20 VAL HB 5.000 . 5.000 4.577 4.418 4.652 . 0 0 "[ . 1 . ]" 1
100 1 19 THR HA 1 20 VAL H 3.400 . 3.400 3.501 3.488 3.516 0.116 9 0 "[ . 1 . ]" 1
101 1 19 THR HB 1 20 VAL H 5.000 . 5.000 2.468 2.363 2.621 . 0 0 "[ . 1 . ]" 1
102 1 19 THR H 1 20 VAL H 3.400 . 3.400 2.521 2.409 2.613 . 0 0 "[ . 1 . ]" 1
103 1 20 VAL H 1 20 VAL HB 3.400 . 3.400 2.425 2.354 2.467 . 0 0 "[ . 1 . ]" 1
104 1 19 THR H 1 21 SER H 5.000 . 5.000 4.084 3.907 4.209 . 0 0 "[ . 1 . ]" 1
105 1 20 VAL HA 1 21 SER H 5.000 . 5.000 3.566 3.522 3.596 . 0 0 "[ . 1 . ]" 1
106 1 20 VAL HB 1 21 SER H 3.400 . 3.400 2.712 2.655 2.803 . 0 0 "[ . 1 . ]" 1
107 1 20 VAL H 1 21 SER H 3.400 . 3.400 2.812 2.711 2.956 . 0 0 "[ . 1 . ]" 1
108 1 21 SER H 1 21 SER HA 2.800 . 2.800 2.779 2.759 2.792 . 0 0 "[ . 1 . ]" 1
109 1 19 THR HA 1 22 ARG H 5.000 . 5.000 3.666 3.530 3.888 . 0 0 "[ . 1 . ]" 1
110 1 21 SER H 1 22 ARG H 3.400 . 3.400 2.656 2.578 2.737 . 0 0 "[ . 1 . ]" 1
111 1 22 ARG H 1 22 ARG HA 2.800 . 2.800 2.821 2.798 2.837 0.037 8 0 "[ . 1 . ]" 1
112 1 22 ARG H 1 22 ARG HB3 3.400 . 3.400 3.550 3.440 3.610 0.210 8 0 "[ . 1 . ]" 1
113 1 22 ARG H 1 22 ARG HB2 3.400 . 3.400 2.426 2.108 2.768 . 0 0 "[ . 1 . ]" 1
114 1 22 ARG H 1 22 ARG HG3 3.400 . 3.400 3.559 3.432 3.678 0.278 4 0 "[ . 1 . ]" 1
115 1 20 VAL HA 1 23 VAL H 5.000 . 5.000 3.220 3.147 3.329 . 0 0 "[ . 1 . ]" 1
116 1 22 ARG H 1 23 VAL HB 5.000 . 5.000 4.896 4.825 4.978 . 0 0 "[ . 1 . ]" 1
117 1 22 ARG HA 1 23 VAL H 3.400 . 3.400 3.519 3.505 3.550 0.150 16 0 "[ . 1 . ]" 1
118 1 22 ARG HB3 1 23 VAL H 5.000 . 5.000 3.346 2.877 3.764 . 0 0 "[ . 1 . ]" 1
119 1 22 ARG HG3 1 23 VAL H 5.000 . 5.000 4.652 4.337 4.804 . 0 0 "[ . 1 . ]" 1
120 1 22 ARG H 1 23 VAL H 3.400 . 3.400 2.627 2.567 2.685 . 0 0 "[ . 1 . ]" 1
121 1 23 VAL H 1 23 VAL HB 2.800 . 2.800 2.591 2.551 2.635 . 0 0 "[ . 1 . ]" 1
122 1 20 VAL HA 1 24 VAL H 5.000 . 5.000 3.805 3.657 3.985 . 0 0 "[ . 1 . ]" 1
123 1 17 VAL HA 1 21 SER H 5.000 . 5.000 3.747 3.548 3.969 . 0 0 "[ . 1 . ]" 1
124 1 21 SER HA 1 24 VAL H 3.400 . 3.400 3.335 3.231 3.408 0.008 16 0 "[ . 1 . ]" 1
125 1 23 VAL HA 1 24 VAL H 5.000 . 5.000 3.506 3.489 3.517 . 0 0 "[ . 1 . ]" 1
126 1 23 VAL H 1 24 VAL H 3.400 . 3.400 2.539 2.476 2.614 . 0 0 "[ . 1 . ]" 1
127 1 21 SER HA 1 25 ASN H 3.700 2.100 3.700 3.873 3.797 3.911 0.211 6 0 "[ . 1 . ]" 1
128 1 22 ARG H 1 25 ASN HD21 5.000 . 5.000 4.465 4.256 4.610 . 0 0 "[ . 1 . ]" 1
129 1 22 ARG HB2 1 25 ASN H 5.000 . 5.000 5.084 4.999 5.208 0.208 16 0 "[ . 1 . ]" 1
130 1 23 VAL HA 1 25 ASN H 5.000 . 5.000 3.916 3.828 4.094 . 0 0 "[ . 1 . ]" 1
131 1 24 VAL HB 1 25 ASN HD21 5.000 . 5.000 3.670 3.423 3.952 . 0 0 "[ . 1 . ]" 1
132 1 24 VAL HA 1 25 ASN H 3.400 . 3.400 3.450 3.420 3.501 0.101 15 0 "[ . 1 . ]" 1
133 1 24 VAL HB 1 25 ASN H 2.800 . 2.800 2.832 2.661 2.930 0.130 9 0 "[ . 1 . ]" 1
134 1 24 VAL H 1 25 ASN H 3.400 . 3.400 2.533 2.475 2.642 . 0 0 "[ . 1 . ]" 1
135 1 25 ASN HB3 1 25 ASN HD21 3.400 . 3.400 3.398 3.350 3.436 0.036 10 0 "[ . 1 . ]" 1
136 1 25 ASN HB2 1 25 ASN HD21 3.400 . 3.400 2.156 2.117 2.194 . 0 0 "[ . 1 . ]" 1
137 1 25 ASN H 1 25 ASN HB3 3.400 . 3.400 3.504 3.479 3.533 0.133 16 0 "[ . 1 . ]" 1
138 1 25 ASN H 1 25 ASN HB2 3.400 . 3.400 2.239 2.197 2.264 . 0 0 "[ . 1 . ]" 1
139 1 25 ASN H 1 25 ASN HD21 3.400 . 3.400 3.025 2.701 3.234 . 0 0 "[ . 1 . ]" 1
140 1 23 VAL HA 1 26 GLN H 3.400 . 3.400 3.551 3.334 3.632 0.232 12 0 "[ . 1 . ]" 1
141 1 25 ASN HA 1 26 GLN H 3.400 . 3.400 3.033 2.969 3.131 . 0 0 "[ . 1 . ]" 1
142 1 25 ASN HB3 1 26 GLN H 5.000 . 5.000 4.213 4.144 4.309 . 0 0 "[ . 1 . ]" 1
143 1 25 ASN HB2 1 26 GLN H 5.000 . 5.000 3.999 3.822 4.073 . 0 0 "[ . 1 . ]" 1
144 1 26 GLN H 1 26 GLN HA 2.800 . 2.800 2.271 2.242 2.340 . 0 0 "[ . 1 . ]" 1
145 1 22 ARG HB2 1 27 ALA H 5.000 . 5.000 5.117 4.735 5.353 0.353 11 0 "[ . 1 . ]" 1
146 1 23 VAL HA 1 27 ALA H 5.000 . 5.000 2.257 1.750 3.732 0.050 4 0 "[ . 1 . ]" 1
147 1 25 ASN H 1 27 ALA MB 5.000 . 5.000 5.180 4.181 5.651 0.651 15 1 "[ . 1 + ]" 1
148 1 25 ASN HB3 1 27 ALA H 5.000 . 5.000 4.621 3.379 5.182 0.182 2 0 "[ . 1 . ]" 1
149 1 25 ASN HB2 1 27 ALA H 5.000 . 5.000 4.339 3.570 4.895 . 0 0 "[ . 1 . ]" 1
150 1 25 ASN H 1 27 ALA H 5.000 . 5.000 3.702 3.511 3.936 . 0 0 "[ . 1 . ]" 1
151 1 26 GLN HA 1 27 ALA H 3.400 . 3.400 2.734 2.397 3.462 0.062 5 0 "[ . 1 . ]" 1
152 1 26 GLN HB2 1 27 ALA H 5.000 . 5.000 3.957 2.901 4.365 . 0 0 "[ . 1 . ]" 1
153 1 26 GLN HG2 1 27 ALA H 5.000 . 5.000 5.062 4.850 5.812 0.812 16 1 "[ . 1 .+]" 1
154 1 26 GLN H 1 27 ALA H 2.800 . 2.800 2.654 2.520 2.979 0.179 5 0 "[ . 1 . ]" 1
155 1 27 ALA H 1 27 ALA HA 2.800 . 2.800 2.307 2.219 2.730 . 0 0 "[ . 1 . ]" 1
156 1 27 ALA H 1 27 ALA MB 3.400 . 3.400 2.622 2.116 3.132 . 0 0 "[ . 1 . ]" 1
157 1 27 ALA MB 1 28 SER H 3.400 . 3.400 2.212 1.848 3.321 . 0 0 "[ . 1 . ]" 1
158 1 27 ALA H 1 28 SER H 5.000 . 5.000 4.131 3.554 4.581 . 0 0 "[ . 1 . ]" 1
159 1 28 SER H 1 28 SER HA 2.800 . 2.800 2.541 2.228 2.897 0.097 16 0 "[ . 1 . ]" 1
160 1 28 SER H 1 28 SER HB2 3.400 . 3.400 3.308 2.336 3.560 0.160 3 0 "[ . 1 . ]" 1
161 1 27 ALA MB 1 29 HIS H 5.000 . 5.000 3.922 2.911 4.788 . 0 0 "[ . 1 . ]" 1
162 1 27 ALA H 1 29 HIS H 6.000 2.800 6.000 5.814 5.105 6.207 0.207 11 0 "[ . 1 . ]" 1
163 1 28 SER HA 1 29 HIS H 3.400 . 3.400 3.493 3.398 3.532 0.132 2 0 "[ . 1 . ]" 1
164 1 28 SER HB2 1 29 HIS H 3.400 . 3.400 2.364 1.812 3.046 . 0 0 "[ . 1 . ]" 1
165 1 29 HIS H 1 29 HIS HB2 3.400 . 3.400 2.450 2.219 2.725 . 0 0 "[ . 1 . ]" 1
166 1 22 ARG HG3 1 30 VAL H 5.000 . 5.000 5.088 4.928 5.196 0.196 4 0 "[ . 1 . ]" 1
167 1 28 SER HB2 1 30 VAL H 5.000 . 5.000 4.582 3.828 5.079 0.079 6 0 "[ . 1 . ]" 1
168 1 29 HIS HA 1 30 VAL H 3.200 2.200 3.200 3.035 2.545 3.435 0.235 16 0 "[ . 1 . ]" 1
169 1 29 HIS HB3 1 30 VAL H 5.000 . 5.000 4.113 3.674 4.362 . 0 0 "[ . 1 . ]" 1
170 1 29 HIS HB2 1 30 VAL H 5.000 . 5.000 3.912 3.172 4.490 . 0 0 "[ . 1 . ]" 1
171 1 29 HIS H 1 30 VAL H 3.400 . 3.400 2.584 1.873 3.160 . 0 0 "[ . 1 . ]" 1
172 1 30 VAL H 1 30 VAL HA 2.800 . 2.800 2.877 2.804 2.926 0.126 8 0 "[ . 1 . ]" 1
173 1 30 VAL H 1 30 VAL HB 2.800 . 2.800 2.367 2.118 2.605 . 0 0 "[ . 1 . ]" 1
174 1 30 VAL H 1 31 SER HA 5.000 . 5.000 4.982 4.711 5.354 0.354 5 0 "[ . 1 . ]" 1
175 1 30 VAL HA 1 31 SER H 3.400 . 3.400 2.359 2.147 3.510 0.110 2 0 "[ . 1 . ]" 1
176 1 30 VAL HB 1 31 SER H 5.000 . 5.000 4.236 2.885 4.500 . 0 0 "[ . 1 . ]" 1
177 1 30 VAL H 1 31 SER H 5.000 . 5.000 4.172 2.792 4.535 . 0 0 "[ . 1 . ]" 1
178 1 30 VAL H 1 32 ALA H 5.000 . 5.000 4.304 4.134 4.662 . 0 0 "[ . 1 . ]" 1
179 1 31 SER HA 1 32 ALA H 3.400 . 3.400 2.286 2.256 2.325 . 0 0 "[ . 1 . ]" 1
180 1 31 SER H 1 32 ALA H 5.000 . 5.000 4.563 4.214 4.632 . 0 0 "[ . 1 . ]" 1
181 1 32 ALA H 1 32 ALA HA 2.800 . 2.800 2.739 2.721 2.747 . 0 0 "[ . 1 . ]" 1
182 1 32 ALA H 1 32 ALA MB 2.800 . 2.800 2.225 2.203 2.242 . 0 0 "[ . 1 . ]" 1
183 1 31 SER HB2 1 33 LYS H 3.400 . 3.400 3.001 2.757 3.528 0.128 11 0 "[ . 1 . ]" 1
184 1 32 ALA MB 1 33 LYS H 2.800 . 2.800 2.441 2.387 2.510 . 0 0 "[ . 1 . ]" 1
185 1 32 ALA H 1 33 LYS H 3.400 . 3.400 2.939 2.875 3.047 . 0 0 "[ . 1 . ]" 1
186 1 33 LYS H 1 33 LYS HA 2.800 . 2.800 2.780 2.764 2.798 . 0 0 "[ . 1 . ]" 1
187 1 33 LYS H 1 33 LYS HB2 2.800 . 2.800 2.131 2.048 2.355 . 0 0 "[ . 1 . ]" 1
188 1 32 ALA MB 1 34 THR H 5.000 . 5.000 4.534 4.406 4.715 . 0 0 "[ . 1 . ]" 1
189 1 33 LYS H 1 34 THR HB 5.000 . 5.000 5.031 4.986 5.096 0.096 2 0 "[ . 1 . ]" 1
190 1 33 LYS HA 1 34 THR H 3.400 . 3.400 3.513 3.494 3.528 0.128 15 0 "[ . 1 . ]" 1
191 1 33 LYS HB3 1 34 THR H 2.800 . 2.800 2.766 2.424 2.907 0.107 5 0 "[ . 1 . ]" 1
192 1 33 LYS H 1 34 THR H 2.800 . 2.800 2.756 2.683 2.885 0.085 2 0 "[ . 1 . ]" 1
193 1 34 THR H 1 34 THR HA 2.800 . 2.800 2.813 2.795 2.854 0.054 5 0 "[ . 1 . ]" 1
194 1 34 THR H 1 34 THR HB 2.800 . 2.800 2.571 2.488 2.604 . 0 0 "[ . 1 . ]" 1
195 1 32 ALA H 1 35 ARG HB3 5.000 . 5.000 4.997 4.454 5.194 0.194 8 0 "[ . 1 . ]" 1
196 1 33 LYS HA 1 35 ARG H 5.000 . 5.000 4.500 3.680 4.637 . 0 0 "[ . 1 . ]" 1
197 1 33 LYS H 1 35 ARG H 5.000 . 5.000 4.192 3.938 4.245 . 0 0 "[ . 1 . ]" 1
198 1 34 THR HA 1 35 ARG H 3.400 . 3.400 3.495 3.206 3.527 0.127 2 0 "[ . 1 . ]" 1
199 1 34 THR H 1 35 ARG H 2.800 . 2.800 2.630 2.492 2.690 . 0 0 "[ . 1 . ]" 1
200 1 35 ARG H 1 35 ARG HD2 5.000 . 5.000 4.734 4.421 4.951 . 0 0 "[ . 1 . ]" 1
201 1 33 LYS H 1 36 GLU H 5.000 . 5.000 4.878 4.662 5.020 0.020 5 0 "[ . 1 . ]" 1
202 1 35 ARG HA 1 36 GLU H 3.400 . 3.400 3.486 3.449 3.500 0.100 8 0 "[ . 1 . ]" 1
203 1 35 ARG HB3 1 36 GLU H 2.800 . 2.800 2.570 2.508 2.651 . 0 0 "[ . 1 . ]" 1
204 1 35 ARG QG 1 36 GLU H 5.000 . 5.000 3.960 3.773 4.127 . 0 0 "[ . 1 . ]" 1
205 1 35 ARG H 1 36 GLU H 3.400 . 3.400 2.744 1.963 2.837 . 0 0 "[ . 1 . ]" 1
206 1 36 GLU H 1 36 GLU HA 2.800 . 2.800 2.855 2.837 2.878 0.078 5 0 "[ . 1 . ]" 1
207 1 36 GLU H 1 36 GLU HB2 2.800 . 2.800 2.395 2.260 2.594 . 0 0 "[ . 1 . ]" 1
208 1 36 GLU H 1 36 GLU HG3 2.800 . 2.800 2.448 2.151 2.742 . 0 0 "[ . 1 . ]" 1
209 1 34 THR HB 1 37 LYS H 5.000 . 5.000 5.107 5.074 5.173 0.173 5 0 "[ . 1 . ]" 1
210 1 35 ARG H 1 37 LYS H 5.000 . 5.000 3.899 2.995 3.976 . 0 0 "[ . 1 . ]" 1
211 1 36 GLU HA 1 37 LYS H 3.400 . 3.400 3.453 3.437 3.464 0.064 11 0 "[ . 1 . ]" 1
212 1 36 GLU HG3 1 37 LYS H 5.000 . 5.000 4.302 4.051 4.513 . 0 0 "[ . 1 . ]" 1
213 1 36 GLU H 1 37 LYS H 2.800 . 2.800 2.377 2.221 2.462 . 0 0 "[ . 1 . ]" 1
214 1 37 LYS H 1 37 LYS HA 2.800 . 2.800 2.750 2.744 2.760 . 0 0 "[ . 1 . ]" 1
215 1 37 LYS H 1 37 LYS HB3 2.800 . 2.800 2.494 2.474 2.514 . 0 0 "[ . 1 . ]" 1
216 1 37 LYS H 1 37 LYS HD3 6.000 2.800 6.000 5.828 5.800 5.858 . 0 0 "[ . 1 . ]" 1
217 1 37 LYS H 1 37 LYS HG3 5.000 . 5.000 4.413 4.393 4.431 . 0 0 "[ . 1 . ]" 1
218 1 35 ARG HA 1 38 VAL H 5.000 . 5.000 3.836 3.664 4.147 . 0 0 "[ . 1 . ]" 1
219 1 37 LYS H 1 38 VAL HA 5.300 2.100 5.300 5.381 5.359 5.398 0.098 15 0 "[ . 1 . ]" 1
220 1 37 LYS HA 1 38 VAL H 3.400 . 3.400 3.469 3.451 3.482 0.082 8 0 "[ . 1 . ]" 1
221 1 37 LYS HG2 1 38 VAL H 3.400 . 3.400 3.556 3.524 3.591 0.191 6 0 "[ . 1 . ]" 1
222 1 37 LYS H 1 38 VAL H 2.800 . 2.800 2.802 2.774 2.823 0.023 4 0 "[ . 1 . ]" 1
223 1 38 VAL H 1 38 VAL HB 3.400 . 3.400 3.648 3.618 3.661 0.261 11 0 "[ . 1 . ]" 1
224 1 35 ARG HA 1 39 GLU H 5.000 . 5.000 4.215 4.006 4.680 . 0 0 "[ . 1 . ]" 1
225 1 37 LYS H 1 39 GLU H 5.000 . 5.000 4.111 4.080 4.163 . 0 0 "[ . 1 . ]" 1
226 1 38 VAL HA 1 39 GLU H 5.000 . 5.000 3.543 3.529 3.555 . 0 0 "[ . 1 . ]" 1
227 1 38 VAL H 1 39 GLU H 3.400 . 3.400 2.453 2.390 2.495 . 0 0 "[ . 1 . ]" 1
228 1 39 GLU H 1 39 GLU HA 2.800 . 2.800 2.788 2.783 2.794 . 0 0 "[ . 1 . ]" 1
229 1 39 GLU H 1 39 GLU HG3 2.800 . 2.800 2.895 2.721 2.958 0.158 15 0 "[ . 1 . ]" 1
230 1 39 GLU H 1 39 GLU HG2 2.800 . 2.800 2.898 2.823 2.955 0.155 6 0 "[ . 1 . ]" 1
231 1 38 VAL HA 1 40 ALA H 5.000 . 5.000 4.218 4.132 4.301 . 0 0 "[ . 1 . ]" 1
232 1 39 GLU H 1 40 ALA HA 5.000 . 5.000 5.156 5.140 5.177 0.177 13 0 "[ . 1 . ]" 1
233 1 39 GLU H 1 40 ALA MB 5.000 . 5.000 4.243 4.203 4.285 . 0 0 "[ . 1 . ]" 1
234 1 39 GLU HA 1 40 ALA H 3.400 . 3.400 3.501 3.493 3.512 0.112 15 0 "[ . 1 . ]" 1
235 1 39 GLU HB3 1 40 ALA H 3.400 . 3.400 3.452 3.379 3.477 0.077 13 0 "[ . 1 . ]" 1
236 1 39 GLU HG3 1 40 ALA H 5.000 . 5.000 4.584 4.461 4.645 . 0 0 "[ . 1 . ]" 1
237 1 39 GLU HG2 1 40 ALA H 5.000 . 5.000 4.649 4.619 4.688 . 0 0 "[ . 1 . ]" 1
238 1 39 GLU H 1 40 ALA H 2.800 . 2.800 2.561 2.546 2.579 . 0 0 "[ . 1 . ]" 1
239 1 40 ALA H 1 40 ALA HA 2.800 . 2.800 2.787 2.772 2.802 0.002 13 0 "[ . 1 . ]" 1
240 1 40 ALA H 1 40 ALA MB 2.800 . 2.800 2.239 2.227 2.255 . 0 0 "[ . 1 . ]" 1
241 1 12 TYR H 1 41 ALA MB 5.000 . 5.000 3.936 3.867 4.049 . 0 0 "[ . 1 . ]" 1
242 1 12 TYR HB3 1 41 ALA H 5.000 . 5.000 4.852 4.716 5.023 0.023 7 0 "[ . 1 . ]" 1
243 1 12 TYR QD 1 41 ALA H 5.000 . 5.000 3.953 3.745 4.129 . 0 0 "[ . 1 . ]" 1
244 1 13 ALA H 1 41 ALA HA 5.000 . 5.000 5.057 5.028 5.104 0.104 12 0 "[ . 1 . ]" 1
245 1 13 ALA H 1 41 ALA MB 5.000 . 5.000 2.721 2.679 2.792 . 0 0 "[ . 1 . ]" 1
246 1 13 ALA MB 1 41 ALA H 5.000 . 5.000 3.918 3.826 4.002 . 0 0 "[ . 1 . ]" 1
247 1 38 VAL HA 1 41 ALA H 3.400 . 3.400 3.097 3.034 3.161 . 0 0 "[ . 1 . ]" 1
248 1 39 GLU H 1 41 ALA H 5.000 . 5.000 3.970 3.924 4.023 . 0 0 "[ . 1 . ]" 1
249 1 40 ALA HA 1 41 ALA H 3.400 . 3.400 3.484 3.469 3.492 0.092 10 0 "[ . 1 . ]" 1
250 1 40 ALA H 1 41 ALA H 2.800 . 2.800 2.613 2.533 2.656 . 0 0 "[ . 1 . ]" 1
251 1 41 ALA H 1 41 ALA HA 2.800 . 2.800 2.802 2.782 2.819 0.019 13 0 "[ . 1 . ]" 1
252 1 41 ALA H 1 41 ALA MB 2.800 . 2.800 2.217 2.205 2.225 . 0 0 "[ . 1 . ]" 1
253 1 38 VAL HA 1 42 MET H 5.000 . 5.000 3.868 3.817 3.917 . 0 0 "[ . 1 . ]" 1
254 1 40 ALA HA 1 42 MET H 5.000 . 5.000 4.499 4.419 4.559 . 0 0 "[ . 1 . ]" 1
255 1 40 ALA H 1 42 MET H 5.000 . 5.000 4.082 4.046 4.128 . 0 0 "[ . 1 . ]" 1
256 1 41 ALA H 1 42 MET HA 5.000 . 5.000 5.210 5.188 5.244 0.244 15 0 "[ . 1 . ]" 1
257 1 41 ALA MB 1 42 MET H 3.400 . 3.400 2.382 2.347 2.413 . 0 0 "[ . 1 . ]" 1
258 1 42 MET H 1 42 MET HG3 3.400 . 3.400 2.346 2.206 2.475 . 0 0 "[ . 1 . ]" 1
259 1 41 ALA HA 1 43 ALA H 5.000 . 5.000 4.182 3.918 4.315 . 0 0 "[ . 1 . ]" 1
260 1 42 MET HA 1 43 ALA H 3.400 . 3.400 3.433 3.390 3.456 0.056 14 0 "[ . 1 . ]" 1
261 1 42 MET HG2 1 43 ALA H 5.000 . 5.000 4.900 4.770 5.025 0.025 5 0 "[ . 1 . ]" 1
262 1 42 MET H 1 43 ALA H 2.800 . 2.800 2.630 2.609 2.671 . 0 0 "[ . 1 . ]" 1
263 1 43 ALA H 1 43 ALA HA 2.800 . 2.800 2.807 2.787 2.850 0.050 7 0 "[ . 1 . ]" 1
264 1 43 ALA H 1 43 ALA MB 2.800 . 2.800 2.220 2.201 2.245 . 0 0 "[ . 1 . ]" 1
265 1 41 ALA H 1 44 GLU HG3 5.000 . 5.000 4.711 4.577 4.878 . 0 0 "[ . 1 . ]" 1
266 1 42 MET H 1 44 GLU H 5.000 . 5.000 4.476 4.404 4.508 . 0 0 "[ . 1 . ]" 1
267 1 42 MET HB3 1 43 ALA H 5.000 . 5.000 3.456 3.377 3.622 . 0 0 "[ . 1 . ]" 1
268 1 43 ALA HA 1 44 GLU H 3.400 . 3.400 3.545 3.518 3.555 0.155 14 0 "[ . 1 . ]" 1
269 1 43 ALA MB 1 44 GLU H 2.800 . 2.800 2.432 2.353 2.582 . 0 0 "[ . 1 . ]" 1
270 1 43 ALA H 1 44 GLU H 2.800 . 2.800 2.777 2.540 2.842 0.042 9 0 "[ . 1 . ]" 1
271 1 44 GLU H 1 44 GLU HA 2.800 . 2.800 2.773 2.763 2.782 . 0 0 "[ . 1 . ]" 1
272 1 44 GLU H 1 44 GLU HB3 3.400 . 3.400 3.538 3.522 3.548 0.148 1 0 "[ . 1 . ]" 1
273 1 44 GLU H 1 44 GLU HB2 2.800 . 2.800 2.577 2.555 2.609 . 0 0 "[ . 1 . ]" 1
274 1 44 GLU H 1 44 GLU HG3 2.800 . 2.800 2.421 2.149 2.595 . 0 0 "[ . 1 . ]" 1
275 1 42 MET HA 1 45 LEU H 5.000 . 5.000 4.207 4.106 4.385 . 0 0 "[ . 1 . ]" 1
276 1 44 GLU HA 1 45 LEU H 3.400 . 3.400 3.498 3.476 3.540 0.140 5 0 "[ . 1 . ]" 1
277 1 44 GLU HB3 1 45 LEU H 3.400 . 3.400 3.490 3.396 3.547 0.147 10 0 "[ . 1 . ]" 1
278 1 44 GLU HB2 1 45 LEU H 2.800 . 2.800 2.271 2.175 2.322 . 0 0 "[ . 1 . ]" 1
279 1 44 GLU HG3 1 45 LEU H 3.800 2.200 3.800 3.972 3.878 4.032 0.232 1 0 "[ . 1 . ]" 1
280 1 44 GLU H 1 45 LEU H 2.800 . 2.800 2.738 2.691 2.870 0.070 15 0 "[ . 1 . ]" 1
281 1 45 LEU H 1 45 LEU HA 2.800 . 2.800 2.839 2.826 2.848 0.048 6 0 "[ . 1 . ]" 1
282 1 45 LEU H 1 45 LEU HB3 3.400 . 3.400 3.423 3.044 3.517 0.117 14 0 "[ . 1 . ]" 1
283 1 45 LEU H 1 45 LEU HG 3.400 . 3.400 2.121 1.762 3.602 0.202 15 0 "[ . 1 . ]" 1
284 1 42 MET HA 1 46 ASN H 5.000 . 5.000 4.176 4.090 4.274 . 0 0 "[ . 1 . ]" 1
285 1 44 GLU HA 1 46 ASN H 5.000 . 5.000 4.222 4.147 4.273 . 0 0 "[ . 1 . ]" 1
286 1 44 GLU HB2 1 46 ASN H 5.000 . 5.000 4.518 4.382 4.599 . 0 0 "[ . 1 . ]" 1
287 1 44 GLU H 1 46 ASN H 5.000 . 5.000 3.793 3.702 3.870 . 0 0 "[ . 1 . ]" 1
288 1 45 LEU HB3 1 46 ASN H 4.000 2.400 4.000 4.139 4.075 4.279 0.279 7 0 "[ . 1 . ]" 1
289 1 45 LEU HB2 1 46 ASN H 3.400 . 3.400 3.099 2.938 3.623 0.223 15 0 "[ . 1 . ]" 1
290 1 46 ASN HB3 1 46 ASN HD21 3.400 . 3.400 3.420 3.045 3.460 0.060 14 0 "[ . 1 . ]" 1
291 1 46 ASN HB2 1 46 ASN HD21 3.400 . 3.400 2.233 2.108 2.274 . 0 0 "[ . 1 . ]" 1
292 1 46 ASN H 1 46 ASN HA 2.800 . 2.800 2.258 2.234 2.268 . 0 0 "[ . 1 . ]" 1
293 1 46 ASN H 1 46 ASN HB3 3.400 . 3.400 3.607 3.566 3.684 0.284 9 0 "[ . 1 . ]" 1
294 1 46 ASN H 1 46 ASN HB2 3.400 . 3.400 3.296 3.136 3.386 . 0 0 "[ . 1 . ]" 1
295 1 46 ASN H 1 46 ASN HD21 5.000 . 5.000 4.665 4.519 5.058 0.058 9 0 "[ . 1 . ]" 1
296 1 6 LEU H 1 47 TYR QD 5.000 . 5.000 4.410 4.173 4.971 . 0 0 "[ . 1 . ]" 1
297 1 42 MET HA 1 47 TYR H 3.400 . 3.400 3.170 3.032 3.358 . 0 0 "[ . 1 . ]" 1
298 1 45 LEU HB3 1 47 TYR H 6.000 2.800 6.000 5.224 4.718 6.038 0.038 5 0 "[ . 1 . ]" 1
299 1 46 ASN HA 1 47 TYR H 2.800 . 2.800 2.373 2.269 2.440 . 0 0 "[ . 1 . ]" 1
300 1 46 ASN H 1 47 TYR H 2.800 . 2.800 2.588 2.493 2.670 . 0 0 "[ . 1 . ]" 1
301 1 47 TYR H 1 47 TYR HB3 2.800 . 2.800 2.422 2.343 2.568 . 0 0 "[ . 1 . ]" 1
302 1 47 TYR H 1 47 TYR HB2 2.800 . 2.800 2.635 2.372 2.717 . 0 0 "[ . 1 . ]" 1
303 1 4 VAL HB 1 48 ILE H 5.000 . 5.000 3.205 2.909 4.582 . 0 0 "[ . 1 . ]" 1
304 1 47 TYR HA 1 48 ILE H 3.400 . 3.400 2.180 2.080 3.243 . 0 0 "[ . 1 . ]" 1
305 1 47 TYR HB3 1 48 ILE H 5.000 . 5.000 4.017 1.978 4.244 . 0 0 "[ . 1 . ]" 1
306 1 47 TYR HB2 1 48 ILE H 5.000 . 5.000 4.037 3.250 4.196 . 0 0 "[ . 1 . ]" 1
307 1 47 TYR QD 1 48 ILE H 2.800 . 2.800 2.680 1.996 2.858 0.058 15 0 "[ . 1 . ]" 1
308 1 47 TYR H 1 48 ILE H 5.000 . 5.000 4.489 3.959 4.544 . 0 0 "[ . 1 . ]" 1
309 1 48 ILE H 1 48 ILE HB 3.400 . 3.400 2.849 2.737 3.569 0.169 14 0 "[ . 1 . ]" 1
310 1 52 CYS HB3 1 56 LEU H 5.000 . 5.000 4.057 3.823 4.188 . 0 0 "[ . 1 . ]" 1
311 1 48 ILE H 1 49 PRO HD3 5.000 . 5.000 4.173 3.147 4.333 . 0 0 "[ . 1 . ]" 1
312 1 48 ILE H 1 49 PRO HD2 5.000 . 5.000 4.792 4.303 4.958 . 0 0 "[ . 1 . ]" 1
313 1 49 PRO HA 1 50 ASN H 3.400 . 3.400 2.475 2.092 2.555 . 0 0 "[ . 1 . ]" 1
314 1 49 PRO HB3 1 50 ASN H 5.000 . 5.000 3.487 3.341 3.809 . 0 0 "[ . 1 . ]" 1
315 1 49 PRO HB2 1 50 ASN H 3.400 . 3.400 2.568 2.245 3.138 . 0 0 "[ . 1 . ]" 1
316 1 49 PRO HG3 1 50 ASN H 5.000 . 5.000 5.074 4.825 5.357 0.357 13 0 "[ . 1 . ]" 1
317 1 49 PRO HG2 1 50 ASN H 5.000 . 5.000 4.381 4.084 4.587 . 0 0 "[ . 1 . ]" 1
318 1 50 ASN HB3 1 50 ASN HD21 3.400 . 3.400 3.087 2.855 3.384 . 0 0 "[ . 1 . ]" 1
319 1 50 ASN HB2 1 50 ASN HD21 3.400 . 3.400 2.126 2.082 2.222 . 0 0 "[ . 1 . ]" 1
320 1 50 ASN H 1 50 ASN HB3 4.000 2.400 4.000 3.436 3.371 3.513 . 0 0 "[ . 1 . ]" 1
321 1 50 ASN H 1 50 ASN HB2 3.400 . 3.400 2.274 2.184 2.331 . 0 0 "[ . 1 . ]" 1
322 1 50 ASN H 1 50 ASN HD21 5.000 . 5.000 3.885 3.061 4.249 . 0 0 "[ . 1 . ]" 1
323 1 50 ASN HA 1 51 ARG H 2.800 . 2.800 2.129 2.061 2.145 . 0 0 "[ . 1 . ]" 1
324 1 50 ASN HB3 1 51 ARG H 3.400 . 3.400 3.478 3.432 3.597 0.197 13 0 "[ . 1 . ]" 1
325 1 50 ASN HB2 1 51 ARG H 5.000 . 5.000 4.432 4.415 4.456 . 0 0 "[ . 1 . ]" 1
326 1 51 ARG H 1 53 ALA H 5.000 . 5.000 4.654 4.183 4.773 . 0 0 "[ . 1 . ]" 1
327 1 50 ASN H 1 51 ARG H 5.000 . 5.000 4.296 4.251 4.329 . 0 0 "[ . 1 . ]" 1
328 1 51 ARG H 1 51 ARG HA 2.800 . 2.800 2.777 2.762 2.792 . 0 0 "[ . 1 . ]" 1
329 1 51 ARG H 1 51 ARG HB3 3.400 . 3.400 3.035 2.795 3.310 . 0 0 "[ . 1 . ]" 1
330 1 51 ARG H 1 51 ARG HD3 5.000 . 5.000 4.588 4.045 5.044 0.044 5 0 "[ . 1 . ]" 1
331 1 51 ARG H 1 51 ARG HG3 5.000 . 5.000 4.411 4.196 4.539 . 0 0 "[ . 1 . ]" 1
332 1 50 ASN H 1 52 CYS H 5.000 . 5.000 5.150 5.107 5.280 0.280 13 0 "[ . 1 . ]" 1
333 1 51 ARG HB3 1 52 CYS H 3.400 . 3.400 3.174 2.977 3.334 . 0 0 "[ . 1 . ]" 1
334 1 52 CYS H 1 52 CYS HB3 2.800 . 2.800 2.884 2.832 2.978 0.178 12 0 "[ . 1 . ]" 1
335 1 52 CYS H 1 52 CYS HB2 2.800 . 2.800 2.292 2.131 2.350 . 0 0 "[ . 1 . ]" 1
336 1 50 ASN HA 1 53 ALA H 5.000 . 5.000 4.809 4.494 4.930 . 0 0 "[ . 1 . ]" 1
337 1 50 ASN H 1 53 ALA H 5.000 . 5.000 4.781 4.295 5.086 0.086 13 0 "[ . 1 . ]" 1
338 1 51 ARG HA 1 53 ALA H 5.000 . 5.000 4.849 4.025 4.991 . 0 0 "[ . 1 . ]" 1
339 1 52 CYS H 1 53 ALA HA 5.000 . 5.000 5.047 4.962 5.099 0.099 11 0 "[ . 1 . ]" 1
340 1 52 CYS HA 1 53 ALA H 3.400 . 3.400 3.505 3.400 3.519 0.119 2 0 "[ . 1 . ]" 1
341 1 52 CYS HB3 1 53 ALA H 3.400 . 3.400 2.367 2.202 3.106 . 0 0 "[ . 1 . ]" 1
342 1 52 CYS HB2 1 53 ALA H 3.400 . 3.400 3.338 3.266 3.556 0.156 12 0 "[ . 1 . ]" 1
343 1 52 CYS H 1 53 ALA H 2.800 . 2.800 2.453 2.318 2.531 . 0 0 "[ . 1 . ]" 1
344 1 53 ALA H 1 53 ALA HA 2.800 . 2.800 2.742 2.714 2.898 0.098 12 0 "[ . 1 . ]" 1
345 1 53 ALA H 1 53 ALA MB 2.800 . 2.800 2.228 2.191 2.311 . 0 0 "[ . 1 . ]" 1
346 1 51 ARG H 1 54 GLN H 5.000 . 5.000 4.918 4.874 4.974 . 0 0 "[ . 1 . ]" 1
347 1 52 CYS HA 1 54 GLN H 5.000 . 5.000 4.108 4.034 4.150 . 0 0 "[ . 1 . ]" 1
348 1 52 CYS H 1 54 GLN H 5.000 . 5.000 3.694 3.623 3.766 . 0 0 "[ . 1 . ]" 1
349 1 53 ALA H 1 54 GLN H 2.800 . 2.800 2.770 2.128 2.846 0.046 1 0 "[ . 1 . ]" 1
350 1 54 GLN H 1 54 GLN HA 2.800 . 2.800 2.829 2.819 2.836 0.036 14 0 "[ . 1 . ]" 1
351 1 54 GLN H 1 54 GLN HG2 3.400 . 3.400 3.121 3.062 3.186 . 0 0 "[ . 1 . ]" 1
352 1 51 ARG HA 1 55 GLN H 5.000 . 5.000 4.045 3.944 4.185 . 0 0 "[ . 1 . ]" 1
353 1 52 CYS HA 1 55 GLN H 3.400 . 3.400 3.065 2.982 3.119 . 0 0 "[ . 1 . ]" 1
354 1 52 CYS HB3 1 55 GLN H 5.000 . 5.000 5.122 5.087 5.167 0.167 5 0 "[ . 1 . ]" 1
355 1 53 ALA H 1 55 GLN H 5.000 . 5.000 4.141 3.570 4.239 . 0 0 "[ . 1 . ]" 1
356 1 54 GLN HB2 1 55 GLN H 3.400 . 3.400 2.471 2.403 2.575 . 0 0 "[ . 1 . ]" 1
357 1 54 GLN HG2 1 55 GLN H 5.000 . 5.000 4.740 4.699 4.767 . 0 0 "[ . 1 . ]" 1
358 1 54 GLN H 1 55 GLN H 3.400 . 3.400 2.517 2.454 2.568 . 0 0 "[ . 1 . ]" 1
359 1 55 GLN H 1 55 GLN HA 2.800 . 2.800 2.812 2.801 2.832 0.032 12 0 "[ . 1 . ]" 1
360 1 55 GLN H 1 55 GLN HB3 3.400 . 3.400 3.544 3.512 3.609 0.209 5 0 "[ . 1 . ]" 1
361 1 55 GLN H 1 55 GLN HG2 2.800 . 2.800 2.885 2.694 2.939 0.139 15 0 "[ . 1 . ]" 1
362 1 52 CYS HA 1 56 LEU H 3.400 . 3.400 3.634 3.601 3.660 0.260 10 0 "[ . 1 . ]" 1
363 1 55 GLN H 1 56 LEU HB3 5.000 . 5.000 5.067 5.031 5.118 0.118 4 0 "[ . 1 . ]" 1
364 1 55 GLN H 1 56 LEU HB2 5.000 . 5.000 4.707 4.596 4.763 . 0 0 "[ . 1 . ]" 1
365 1 56 LEU H 1 56 LEU HA 2.800 . 2.800 2.802 2.790 2.817 0.017 12 0 "[ . 1 . ]" 1
366 1 56 LEU H 1 56 LEU HB3 2.800 . 2.800 2.741 2.710 2.778 . 0 0 "[ . 1 . ]" 1
367 1 56 LEU H 1 56 LEU HB2 2.800 . 2.800 2.185 2.160 2.204 . 0 0 "[ . 1 . ]" 1
368 1 55 GLN H 1 57 ALA H 5.000 . 5.000 4.521 4.460 4.573 . 0 0 "[ . 1 . ]" 1
369 1 56 LEU HA 1 57 ALA H 3.400 . 3.400 3.484 3.467 3.507 0.107 7 0 "[ . 1 . ]" 1
370 1 56 LEU HB3 1 57 ALA H 3.400 . 3.400 1.897 1.826 1.992 . 0 0 "[ . 1 . ]" 1
371 1 56 LEU H 1 57 ALA H 2.800 . 2.800 2.855 2.818 2.893 0.093 16 0 "[ . 1 . ]" 1
372 1 57 ALA H 1 57 ALA MB 2.800 . 2.800 2.234 2.178 2.265 . 0 0 "[ . 1 . ]" 1
373 1 57 ALA MB 1 58 GLY H 3.400 . 3.400 2.812 2.718 2.875 . 0 0 "[ . 1 . ]" 1
374 1 57 ALA H 1 58 GLY H 2.800 . 2.800 2.834 2.801 2.868 0.068 5 0 "[ . 1 . ]" 1
375 1 58 GLY H 1 58 GLY HA3 2.800 . 2.800 2.878 2.861 2.903 0.103 14 0 "[ . 1 . ]" 1
376 1 58 GLY H 1 58 GLY HA2 2.800 . 2.800 2.313 2.294 2.335 . 0 0 "[ . 1 . ]" 1
377 1 58 GLY H 1 59 LYS HA 5.000 . 5.000 5.016 4.929 5.071 0.071 10 0 "[ . 1 . ]" 1
378 1 58 GLY HA3 1 59 LYS H 3.200 . 3.200 3.301 3.119 3.412 0.212 11 0 "[ . 1 . ]" 1
379 1 58 GLY H 1 59 LYS H 2.800 . 2.800 2.519 2.407 2.791 . 0 0 "[ . 1 . ]" 1
380 1 59 LYS H 1 59 LYS HA 2.800 . 2.800 2.898 2.821 2.922 0.122 9 0 "[ . 1 . ]" 1
381 1 59 LYS H 1 59 LYS HB3 2.800 . 2.800 2.729 2.618 3.004 0.204 4 0 "[ . 1 . ]" 1
382 1 59 LYS H 1 59 LYS HB2 2.800 . 2.800 2.551 2.083 2.807 0.007 9 0 "[ . 1 . ]" 1
383 1 58 GLY HA3 1 60 GLN H 5.000 . 5.000 3.578 3.314 3.799 . 0 0 "[ . 1 . ]" 1
384 1 58 GLY H 1 60 GLN H 5.000 . 5.000 4.753 4.189 5.069 0.069 5 0 "[ . 1 . ]" 1
385 1 59 LYS H 1 60 GLN H 3.400 . 3.400 2.868 2.474 3.355 . 0 0 "[ . 1 . ]" 1
386 1 60 GLN H 1 60 GLN HA 2.800 . 2.800 2.804 2.765 2.853 0.053 4 0 "[ . 1 . ]" 1
387 1 60 GLN H 1 60 GLN HB3 3.400 . 3.400 3.528 3.476 3.564 0.164 4 0 "[ . 1 . ]" 1
388 1 60 GLN H 1 60 GLN HB2 3.400 . 3.400 2.517 2.172 3.075 . 0 0 "[ . 1 . ]" 1
389 1 60 GLN H 1 60 GLN HG3 2.800 . 2.800 2.389 1.991 2.856 0.056 6 0 "[ . 1 . ]" 1
390 1 60 GLN HB2 1 61 SER H 3.400 . 3.400 2.547 1.766 3.565 0.165 7 0 "[ . 1 . ]" 1
391 1 60 GLN HG2 1 61 SER H 5.000 . 5.000 4.414 3.158 5.081 0.081 12 0 "[ . 1 . ]" 1
392 1 61 SER H 1 61 SER HB2 3.400 2.400 3.400 3.149 2.873 3.497 0.097 7 0 "[ . 1 . ]" 1
393 1 61 SER HA 1 62 LEU H 3.400 . 3.400 3.055 2.583 3.540 0.140 4 0 "[ . 1 . ]" 1
394 1 61 SER HB2 1 62 LEU H 5.000 . 5.000 3.823 2.066 4.519 . 0 0 "[ . 1 . ]" 1
395 1 61 SER H 1 62 LEU H 3.400 . 3.400 2.663 2.249 3.463 0.063 16 0 "[ . 1 . ]" 1
396 1 62 LEU H 1 62 LEU HB2 2.800 . 2.800 2.596 2.255 2.853 0.053 15 0 "[ . 1 . ]" 1
397 1 2 LYS HA 1 3 PRO HD3 3.400 . 3.400 1.927 1.821 2.146 . 0 0 "[ . 1 . ]" 1
398 1 2 LYS HA 1 3 PRO HD2 3.400 . 3.400 2.717 2.517 3.114 . 0 0 "[ . 1 . ]" 1
399 1 6 LEU HA 1 6 LEU HB3 . . 2.800 2.217 2.201 2.226 . 0 0 "[ . 1 . ]" 1
400 1 6 LEU HA 1 6 LEU HB2 . . 2.800 2.780 2.740 2.816 0.016 5 0 "[ . 1 . ]" 1
401 1 7 TYR HA 1 7 TYR QD 3.400 . 3.400 2.942 2.515 3.056 . 0 0 "[ . 1 . ]" 1
402 1 4 VAL HA 1 8 ASP HB2 5.000 . 5.000 3.633 3.330 3.903 . 0 0 "[ . 1 . ]" 1
403 1 4 VAL HB 1 8 ASP HB2 5.000 . 5.000 5.035 4.979 5.107 0.107 6 0 "[ . 1 . ]" 1
404 1 9 VAL HA 1 41 ALA MB 5.000 . 5.000 2.144 2.055 2.306 . 0 0 "[ . 1 . ]" 1
405 1 7 TYR HA 1 10 ALA MB 5.000 . 5.000 2.517 2.442 2.629 . 0 0 "[ . 1 . ]" 1
406 1 8 ASP HA 1 11 GLU HB3 3.400 . 3.400 3.585 3.510 3.664 0.264 3 0 "[ . 1 . ]" 1
407 1 8 ASP HA 1 11 GLU HG3 5.000 . 5.000 4.156 3.906 4.682 . 0 0 "[ . 1 . ]" 1
408 1 8 ASP HA 1 11 GLU HG2 5.000 . 5.000 4.806 4.117 5.147 0.147 2 0 "[ . 1 . ]" 1
409 1 11 GLU HA 1 11 GLU HG3 3.400 . 3.400 3.421 2.375 3.567 0.167 8 0 "[ . 1 . ]" 1
410 1 11 GLU HA 1 11 GLU HG2 2.800 . 2.800 2.441 2.114 2.848 0.048 11 0 "[ . 1 . ]" 1
411 1 9 VAL HA 1 12 TYR HB2 5.000 . 5.000 2.158 2.088 2.242 . 0 0 "[ . 1 . ]" 1
412 1 12 TYR HA 1 12 TYR HB3 2.800 . 2.800 2.919 2.904 2.928 0.128 11 0 "[ . 1 . ]" 1
413 1 12 TYR HB2 1 13 ALA HA 5.000 . 5.000 5.165 5.135 5.196 0.196 3 0 "[ . 1 . ]" 1
414 1 12 TYR HB3 1 13 ALA MB 5.000 . 5.000 3.380 3.342 3.420 . 0 0 "[ . 1 . ]" 1
415 1 12 TYR HB2 1 13 ALA MB 5.000 . 5.000 4.468 4.414 4.537 . 0 0 "[ . 1 . ]" 1
416 1 12 TYR QD 1 13 ALA MB 5.000 2.800 5.000 4.321 4.275 4.381 . 0 0 "[ . 1 . ]" 1
417 1 10 ALA MB 1 16 SER HA 5.000 . 5.000 2.755 2.430 3.005 . 0 0 "[ . 1 . ]" 1
418 1 10 ALA MB 1 17 VAL HA 5.000 . 5.000 2.498 2.364 2.702 . 0 0 "[ . 1 . ]" 1
419 1 17 VAL HA 1 18 ALA MB 5.000 . 5.000 4.909 4.891 4.933 . 0 0 "[ . 1 . ]" 1
420 1 15 VAL HB 1 19 THR HA 5.000 . 5.000 4.810 4.752 4.849 . 0 0 "[ . 1 . ]" 1
421 1 18 ALA MB 1 19 THR HA 5.000 . 5.000 3.867 3.827 3.930 . 0 0 "[ . 1 . ]" 1
422 1 20 VAL HA 1 23 VAL HB 5.000 . 5.000 2.933 2.823 3.107 . 0 0 "[ . 1 . ]" 1
423 1 21 SER HA 1 24 VAL HB 5.000 . 5.000 1.950 1.838 2.065 . 0 0 "[ . 1 . ]" 1
424 1 24 VAL HB 1 25 ASN HA 5.000 . 5.000 4.828 4.616 4.970 . 0 0 "[ . 1 . ]" 1
425 1 25 ASN HA 1 26 GLN HB2 5.000 . 5.000 4.747 3.995 5.055 0.055 14 0 "[ . 1 . ]" 1
426 1 26 GLN HA 1 26 GLN HB2 2.800 . 2.800 2.937 2.909 2.966 0.166 13 0 "[ . 1 . ]" 1
427 1 26 GLN HA 1 26 GLN HG2 3.400 . 3.400 3.585 3.504 3.625 0.225 6 0 "[ . 1 . ]" 1
428 1 22 ARG HA 1 27 ALA HA 3.700 2.100 3.700 3.785 3.707 4.043 0.343 16 0 "[ . 1 . ]" 1
429 1 27 ALA MB 1 28 SER HB2 5.000 . 5.000 4.731 4.436 5.180 0.180 5 0 "[ . 1 . ]" 1
430 1 28 SER HA 1 28 SER HB2 2.800 . 2.800 2.968 2.830 2.998 0.198 10 0 "[ . 1 . ]" 1
431 1 28 SER HB2 1 29 HIS HA 5.000 . 5.000 4.532 4.091 5.006 0.006 8 0 "[ . 1 . ]" 1
432 1 31 SER HA 1 32 ALA MB 5.000 . 5.000 4.110 4.088 4.135 . 0 0 "[ . 1 . ]" 1
433 1 33 LYS HA 1 33 LYS HB3 2.800 . 2.800 2.876 2.770 2.986 0.186 12 0 "[ . 1 . ]" 1
434 1 33 LYS HA 1 33 LYS HB2 2.800 . 2.800 2.751 2.526 2.882 0.082 2 0 "[ . 1 . ]" 1
435 1 33 LYS HA 1 33 LYS HD3 4.000 2.400 4.000 2.999 2.296 3.730 0.104 16 0 "[ . 1 . ]" 1
436 1 33 LYS HA 1 33 LYS QE 5.000 . 5.000 3.157 2.033 3.993 . 0 0 "[ . 1 . ]" 1
437 1 33 LYS HD3 1 33 LYS QE 2.800 . 2.800 2.320 2.168 2.498 . 0 0 "[ . 1 . ]" 1
438 1 33 LYS HA 1 33 LYS HG3 3.400 . 3.400 3.180 2.575 3.534 0.134 7 0 "[ . 1 . ]" 1
439 1 33 LYS QE 1 34 THR HB 5.000 . 5.000 4.390 4.120 4.633 . 0 0 "[ . 1 . ]" 1
440 1 32 ALA HA 1 35 ARG HB3 3.400 . 3.400 2.581 2.217 2.733 . 0 0 "[ . 1 . ]" 1
441 1 32 ALA HA 1 35 ARG HB2 3.400 . 3.400 3.336 2.774 3.479 0.079 11 0 "[ . 1 . ]" 1
442 1 32 ALA HA 1 35 ARG HD2 5.000 . 5.000 3.834 2.892 4.294 . 0 0 "[ . 1 . ]" 1
443 1 39 GLU HA 1 42 MET HA 5.000 . 5.000 5.033 5.003 5.059 0.059 7 0 "[ . 1 . ]" 1
444 1 35 ARG HA 1 35 ARG HD2 5.000 . 5.000 4.523 4.319 4.633 . 0 0 "[ . 1 . ]" 1
445 1 35 ARG HB3 1 35 ARG HD2 3.400 . 3.400 2.340 2.143 2.485 . 0 0 "[ . 1 . ]" 1
446 1 35 ARG HD3 1 35 ARG HG3 2.800 . 2.800 2.982 2.973 2.990 0.190 13 0 "[ . 1 . ]" 1
447 1 35 ARG HD2 1 35 ARG HG2 2.800 . 2.800 2.980 2.967 2.985 0.185 16 0 "[ . 1 . ]" 1
448 1 35 ARG HG2 1 36 GLU HA 5.000 . 5.000 4.461 4.139 4.735 . 0 0 "[ . 1 . ]" 1
449 1 35 ARG HD3 1 36 GLU HB2 5.000 . 5.000 4.373 4.014 5.077 0.077 5 0 "[ . 1 . ]" 1
450 1 35 ARG HD2 1 36 GLU HB2 5.000 . 5.000 5.076 5.020 5.122 0.122 4 0 "[ . 1 . ]" 1
451 1 35 ARG HD3 1 36 GLU HG3 5.000 . 5.000 2.659 2.193 3.157 . 0 0 "[ . 1 . ]" 1
452 1 35 ARG HG2 1 36 GLU HG3 5.000 . 5.000 4.858 4.454 5.037 0.037 16 0 "[ . 1 . ]" 1
453 1 36 GLU HA 1 36 GLU HB2 2.800 . 2.800 2.985 2.972 2.999 0.199 14 0 "[ . 1 . ]" 1
454 1 36 GLU HA 1 36 GLU HG3 3.400 . 3.400 2.786 2.575 3.034 . 0 0 "[ . 1 . ]" 1
455 1 36 GLU HB3 1 36 GLU HG3 2.800 . 2.800 2.963 2.927 2.983 0.183 11 0 "[ . 1 . ]" 1
456 1 36 GLU HB2 1 36 GLU HG2 2.800 . 2.800 2.950 2.916 2.970 0.170 11 0 "[ . 1 . ]" 1
457 1 13 ALA MB 1 37 LYS HB3 5.000 . 5.000 3.450 3.383 3.490 . 0 0 "[ . 1 . ]" 1
458 1 13 ALA MB 1 37 LYS HB2 5.000 . 5.000 4.321 4.291 4.350 . 0 0 "[ . 1 . ]" 1
459 1 34 THR HB 1 37 LYS HB3 5.000 . 5.000 4.520 4.479 4.559 . 0 0 "[ . 1 . ]" 1
460 1 34 THR HB 1 37 LYS HB2 5.000 . 5.000 5.193 5.100 5.228 0.228 11 0 "[ . 1 . ]" 1
461 1 34 THR HB 1 37 LYS HD2 5.000 . 5.000 5.013 4.889 5.076 0.076 2 0 "[ . 1 . ]" 1
462 1 37 LYS HA 1 37 LYS HB2 2.800 . 2.800 2.468 2.456 2.478 . 0 0 "[ . 1 . ]" 1
463 1 37 LYS HA 1 37 LYS HD2 5.000 . 5.000 4.560 4.508 4.589 . 0 0 "[ . 1 . ]" 1
464 1 37 LYS HA 1 37 LYS HG2 2.800 . 2.800 2.812 2.752 2.846 0.046 1 0 "[ . 1 . ]" 1
465 1 13 ALA MB 1 38 VAL HA 5.000 . 5.000 2.029 1.903 2.113 . 0 0 "[ . 1 . ]" 1
466 1 35 ARG HG2 1 39 GLU HG3 5.000 . 5.000 2.707 2.170 3.542 . 0 0 "[ . 1 . ]" 1
467 1 35 ARG HG2 1 39 GLU HG2 5.000 . 5.000 3.937 3.484 4.816 . 0 0 "[ . 1 . ]" 1
468 1 39 GLU HA 1 39 GLU HG2 2.800 . 2.800 2.231 2.190 2.264 . 0 0 "[ . 1 . ]" 1
469 1 12 TYR QD 1 41 ALA HA 5.000 . 5.000 1.867 1.819 1.939 . 0 0 "[ . 1 . ]" 1
470 1 12 TYR QE 1 41 ALA HA 5.000 . 5.000 2.818 2.688 2.951 . 0 0 "[ . 1 . ]" 1
471 1 12 TYR HB3 1 41 ALA MB 5.000 . 5.000 1.910 1.869 1.992 . 0 0 "[ . 1 . ]" 1
472 1 12 TYR HB2 1 41 ALA MB 5.000 . 5.000 2.762 2.676 2.905 . 0 0 "[ . 1 . ]" 1
473 1 12 TYR QD 1 41 ALA MB 5.000 . 5.000 2.136 2.062 2.229 . 0 0 "[ . 1 . ]" 1
474 1 12 TYR QE 1 41 ALA MB 5.000 . 5.000 3.938 3.845 4.015 . 0 0 "[ . 1 . ]" 1
475 1 13 ALA HA 1 41 ALA MB 5.000 . 5.000 3.159 3.044 3.292 . 0 0 "[ . 1 . ]" 1
476 1 13 ALA MB 1 41 ALA MB 5.000 . 5.000 2.356 2.281 2.445 . 0 0 "[ . 1 . ]" 1
477 1 38 VAL HA 1 41 ALA MB 5.000 . 5.000 2.310 2.218 2.391 . 0 0 "[ . 1 . ]" 1
478 1 12 TYR QD 1 44 GLU HG3 5.000 . 5.000 3.702 3.398 3.852 . 0 0 "[ . 1 . ]" 1
479 1 12 TYR QE 1 44 GLU HG3 5.000 . 5.000 2.212 1.945 2.581 . 0 0 "[ . 1 . ]" 1
480 1 41 ALA HA 1 44 GLU HB3 5.000 . 5.000 4.973 4.833 5.041 0.041 15 0 "[ . 1 . ]" 1
481 1 41 ALA HA 1 44 GLU HB2 5.000 . 5.000 3.469 3.309 3.586 . 0 0 "[ . 1 . ]" 1
482 1 41 ALA HA 1 44 GLU HG3 5.000 . 5.000 2.787 2.558 2.932 . 0 0 "[ . 1 . ]" 1
483 1 44 GLU HA 1 44 GLU HB3 2.800 . 2.800 2.376 2.348 2.390 . 0 0 "[ . 1 . ]" 1
484 1 44 GLU HA 1 44 GLU HB2 2.800 . 2.800 2.975 2.963 2.986 0.186 16 0 "[ . 1 . ]" 1
485 1 44 GLU HA 1 44 GLU HG3 3.400 . 3.400 3.570 3.457 3.645 0.245 8 0 "[ . 1 . ]" 1
486 1 44 GLU HB2 1 44 GLU HG3 2.800 . 2.800 2.194 2.170 2.254 . 0 0 "[ . 1 . ]" 1
487 1 4 VAL HA 1 45 LEU HB2 5.000 . 5.000 4.922 4.208 5.115 0.115 6 0 "[ . 1 . ]" 1
488 1 40 ALA MB 1 44 GLU HG3 5.000 . 5.000 3.675 3.565 3.829 . 0 0 "[ . 1 . ]" 1
489 1 46 ASN HA 1 46 ASN HB3 2.800 . 2.800 2.989 2.974 2.995 0.195 4 0 "[ . 1 . ]" 1
490 1 46 ASN HA 1 46 ASN HB2 2.800 . 2.800 2.445 2.416 2.536 . 0 0 "[ . 1 . ]" 1
491 1 5 THR HA 1 47 TYR QD 3.400 . 3.400 2.763 2.498 3.299 . 0 0 "[ . 1 . ]" 1
492 1 47 TYR HA 1 47 TYR QD 3.400 . 3.400 2.333 1.949 2.508 . 0 0 "[ . 1 . ]" 1
493 1 48 ILE HA 1 49 PRO HD3 3.400 . 3.400 2.185 1.970 2.525 . 0 0 "[ . 1 . ]" 1
494 1 48 ILE HA 1 49 PRO HD2 3.400 . 3.400 2.269 2.000 2.482 . 0 0 "[ . 1 . ]" 1
495 1 49 PRO HG2 1 50 ASN HA 5.000 . 5.000 5.038 4.998 5.073 0.073 5 0 "[ . 1 . ]" 1
496 1 49 PRO HG2 1 51 ARG HD2 5.000 . 5.000 4.840 4.307 5.055 0.055 2 0 "[ . 1 . ]" 1
497 1 51 ARG HA 1 51 ARG HB3 2.800 . 2.800 2.912 2.826 2.975 0.175 13 0 "[ . 1 . ]" 1
498 1 51 ARG HA 1 51 ARG HD3 5.000 . 5.000 3.640 3.277 4.030 . 0 0 "[ . 1 . ]" 1
499 1 51 ARG HA 1 51 ARG HD2 3.400 . 3.400 2.315 1.869 3.264 . 0 0 "[ . 1 . ]" 1
500 1 51 ARG HB2 1 51 ARG HD2 2.800 . 2.800 2.482 2.154 2.808 0.008 14 0 "[ . 1 . ]" 1
501 1 51 ARG HA 1 51 ARG HG3 3.400 . 3.400 2.581 2.251 2.854 . 0 0 "[ . 1 . ]" 1
502 1 51 ARG HB3 1 51 ARG HG3 2.800 . 2.800 2.490 2.398 2.575 . 0 0 "[ . 1 . ]" 1
503 1 51 ARG HD3 1 51 ARG HG3 2.800 . 2.800 2.866 2.675 2.973 0.173 14 0 "[ . 1 . ]" 1
504 1 51 ARG HD2 1 51 ARG HG2 2.800 . 2.800 2.863 2.671 2.973 0.173 14 0 "[ . 1 . ]" 1
505 1 51 ARG HG3 1 55 GLN HG3 5.000 . 5.000 4.484 3.968 5.083 0.083 10 0 "[ . 1 . ]" 1
506 1 52 CYS HA 1 55 GLN HB3 5.000 . 5.000 3.783 3.504 4.073 . 0 0 "[ . 1 . ]" 1
507 1 52 CYS HA 1 55 GLN HB2 5.000 . 5.000 2.170 1.960 2.405 . 0 0 "[ . 1 . ]" 1
508 1 52 CYS HA 1 55 GLN HG3 5.000 . 5.000 4.037 3.590 4.197 . 0 0 "[ . 1 . ]" 1
509 1 55 GLN HA 1 55 GLN HB3 2.800 . 2.800 2.602 2.504 2.652 . 0 0 "[ . 1 . ]" 1
510 1 55 GLN HA 1 55 GLN HG3 3.400 . 3.400 3.417 3.317 3.554 0.154 7 0 "[ . 1 . ]" 1
511 1 55 GLN HB3 1 55 GLN HG3 2.800 . 2.800 2.245 2.221 2.343 . 0 0 "[ . 1 . ]" 1
512 1 55 GLN HB2 1 55 GLN HG3 2.800 . 2.800 2.681 2.495 2.751 . 0 0 "[ . 1 . ]" 1
513 1 55 GLN HA 1 55 GLN HG2 3.400 . 3.400 3.325 2.940 3.420 0.020 15 0 "[ . 1 . ]" 1
514 1 53 ALA HA 1 56 LEU HB3 5.000 . 5.000 3.078 2.999 3.201 . 0 0 "[ . 1 . ]" 1
515 1 53 ALA HA 1 56 LEU HB2 5.000 . 5.000 3.436 3.346 3.482 . 0 0 "[ . 1 . ]" 1
516 1 54 GLN HA 1 57 ALA MB 5.000 . 5.000 2.982 2.787 3.112 . 0 0 "[ . 1 . ]" 1
517 1 56 LEU HG 1 57 ALA HA 5.000 . 5.000 4.109 4.053 4.182 . 0 0 "[ . 1 . ]" 1
518 1 59 LYS HA 1 59 LYS HB3 2.800 . 2.800 2.975 2.912 2.995 0.195 3 0 "[ . 1 . ]" 1
519 1 59 LYS HA 1 59 LYS HB2 2.800 . 2.800 2.583 2.525 2.744 . 0 0 "[ . 1 . ]" 1
520 1 59 LYS HA 1 59 LYS HD2 5.000 . 5.000 4.589 2.134 4.812 . 0 0 "[ . 1 . ]" 1
521 1 59 LYS HB3 1 59 LYS HE3 2.800 . 2.800 2.130 1.998 2.850 0.050 4 0 "[ . 1 . ]" 1
522 1 59 LYS HD3 1 59 LYS HE3 2.800 . 2.800 2.461 2.397 2.794 . 0 0 "[ . 1 . ]" 1
523 1 59 LYS HA 1 59 LYS HG2 2.800 . 2.800 2.558 2.404 2.722 . 0 0 "[ . 1 . ]" 1
524 1 59 LYS HD2 1 59 LYS HG2 2.800 . 2.800 2.554 2.516 2.694 . 0 0 "[ . 1 . ]" 1
525 1 59 LYS HE3 1 59 LYS HG2 2.800 . 2.800 2.886 2.736 3.251 0.451 4 0 "[ . 1 . ]" 1
526 1 60 GLN HA 1 60 GLN HB3 2.800 . 2.800 2.448 2.228 2.663 . 0 0 "[ . 1 . ]" 1
527 1 60 GLN HA 1 60 GLN HB2 2.800 . 2.800 2.963 2.907 2.991 0.191 11 0 "[ . 1 . ]" 1
528 1 60 GLN HA 1 60 GLN HG3 2.800 . 2.800 2.746 2.550 2.932 0.132 15 0 "[ . 1 . ]" 1
529 1 60 GLN HB3 1 60 GLN HG3 2.800 . 2.800 2.858 2.588 2.978 0.178 8 0 "[ . 1 . ]" 1
530 1 60 GLN HB2 1 60 GLN HG2 2.800 . 2.800 2.852 2.582 2.975 0.175 8 0 "[ . 1 . ]" 1
531 1 61 SER HA 1 61 SER HB2 2.800 . 2.800 2.886 2.595 3.005 0.205 6 0 "[ . 1 . ]" 1
532 1 62 LEU HA 1 62 LEU HB2 2.800 . 2.800 2.758 2.449 2.998 0.198 7 0 "[ . 1 . ]" 1
533 1 7 TYR HA 1 7 TYR QE 5.000 . 5.000 4.612 4.520 4.718 . 0 0 "[ . 1 . ]" 1
534 1 7 TYR HB2 1 7 TYR QE 5.000 . 5.000 4.399 4.374 4.409 . 0 0 "[ . 1 . ]" 1
535 1 6 LEU HA 1 8 ASP H 5.000 . 5.000 4.086 3.989 4.165 . 0 0 "[ . 1 . ]" 1
536 1 6 LEU HA 1 9 VAL H 3.400 . 3.400 3.394 3.325 3.442 0.042 6 0 "[ . 1 . ]" 1
537 1 22 ARG HA 1 22 ARG HE 5.000 . 5.000 4.199 2.943 4.862 . 0 0 "[ . 1 . ]" 1
538 1 22 ARG HB2 1 22 ARG HE 5.000 . 5.000 4.570 4.271 4.731 . 0 0 "[ . 1 . ]" 1
539 1 22 ARG HE 1 22 ARG HG2 3.400 . 3.400 2.642 2.384 3.052 . 0 0 "[ . 1 . ]" 1
540 1 24 VAL H 1 24 VAL HB 2.800 . 2.800 2.158 2.097 2.217 . 0 0 "[ . 1 . ]" 1
541 1 34 THR HB 1 35 ARG H 5.000 . 5.000 2.527 2.394 3.370 . 0 0 "[ . 1 . ]" 1
542 1 35 ARG H 1 35 ARG HB3 2.800 . 2.800 2.459 2.377 2.537 . 0 0 "[ . 1 . ]" 1
543 1 35 ARG H 1 35 ARG HB2 2.800 . 2.800 2.612 2.518 2.886 0.086 5 0 "[ . 1 . ]" 1
544 1 35 ARG H 1 35 ARG HD3 5.000 . 5.000 4.556 4.369 4.743 . 0 0 "[ . 1 . ]" 1
545 1 35 ARG H 1 35 ARG HG3 5.000 . 5.000 4.622 4.585 4.763 . 0 0 "[ . 1 . ]" 1
546 1 35 ARG H 1 36 GLU HB2 5.000 . 5.000 4.869 4.256 5.004 0.004 7 0 "[ . 1 . ]" 1
547 1 35 ARG H 1 37 LYS HB3 5.000 . 5.000 4.600 4.197 4.669 . 0 0 "[ . 1 . ]" 1
548 1 39 GLU H 1 39 GLU HB3 3.200 . 3.200 3.479 3.469 3.488 0.288 11 0 "[ . 1 . ]" 1
549 1 13 ALA MB 1 42 MET H 5.000 . 5.000 4.884 4.749 4.973 . 0 0 "[ . 1 . ]" 1
550 1 42 MET H 1 42 MET ME 5.000 . 5.000 4.453 4.289 4.515 . 0 0 "[ . 1 . ]" 1
551 1 42 MET H 1 42 MET HB3 3.400 . 3.400 3.551 3.545 3.559 0.159 13 0 "[ . 1 . ]" 1
552 1 42 MET H 1 42 MET HB2 2.800 . 2.800 2.417 2.392 2.500 . 0 0 "[ . 1 . ]" 1
553 1 45 LEU H 1 45 LEU HB2 3.400 . 3.400 2.836 2.638 3.508 0.108 15 0 "[ . 1 . ]" 1
554 1 5 THR HA 1 47 TYR HH 5.000 . 5.000 4.092 3.172 4.541 . 0 0 "[ . 1 . ]" 1
555 1 6 LEU HA 1 47 TYR HH 5.000 . 5.000 3.957 3.742 4.376 . 0 0 "[ . 1 . ]" 1
556 1 6 LEU H 1 47 TYR HH 5.000 . 5.000 3.296 2.738 3.833 . 0 0 "[ . 1 . ]" 1
557 1 6 LEU HB2 1 47 TYR HH 5.000 . 5.000 4.509 4.264 4.930 . 0 0 "[ . 1 . ]" 1
558 1 46 ASN HB2 1 47 TYR H 5.000 . 5.000 4.540 4.501 4.560 . 0 0 "[ . 1 . ]" 1
559 1 47 TYR H 1 47 TYR QD 5.000 . 5.000 4.178 4.152 4.199 . 0 0 "[ . 1 . ]" 1
560 1 47 TYR HH 1 50 ASN H 5.000 . 5.000 4.721 4.324 4.966 . 0 0 "[ . 1 . ]" 1
561 1 51 ARG HG3 1 52 CYS H 5.000 . 5.000 4.790 4.505 5.064 0.064 7 0 "[ . 1 . ]" 1
562 1 53 ALA MB 1 54 GLN H 3.400 . 3.400 2.561 2.514 2.620 . 0 0 "[ . 1 . ]" 1
563 1 54 GLN H 1 54 GLN HB3 3.400 . 3.400 3.528 3.513 3.542 0.142 14 0 "[ . 1 . ]" 1
564 1 54 GLN H 1 54 GLN HB2 2.800 . 2.800 2.400 2.308 2.446 . 0 0 "[ . 1 . ]" 1
565 1 54 GLN H 1 54 GLN HG3 2.800 . 2.800 2.334 2.221 2.513 . 0 0 "[ . 1 . ]" 1
566 1 4 VAL HA 1 5 THR H 2.800 . 2.800 2.282 2.175 2.394 . 0 0 "[ . 1 . ]" 1
567 1 5 THR H 1 6 LEU H 5.000 . 5.000 4.360 4.320 4.398 . 0 0 "[ . 1 . ]" 1
568 1 7 TYR H 1 7 TYR QD 3.400 . 3.400 2.432 2.254 2.972 . 0 0 "[ . 1 . ]" 1
569 1 7 TYR HB3 1 8 ASP H 5.000 . 5.000 3.446 3.244 3.827 . 0 0 "[ . 1 . ]" 1
570 1 12 TYR HB3 1 12 TYR QD 3.400 . 3.400 2.236 2.212 2.251 . 0 0 "[ . 1 . ]" 1
571 1 12 TYR HB2 1 12 TYR QD 3.400 . 3.400 2.631 2.585 2.693 . 0 0 "[ . 1 . ]" 1
572 1 12 TYR HA 1 12 TYR QE 6.000 2.800 6.000 4.340 4.258 4.382 . 0 0 "[ . 1 . ]" 1
573 1 15 VAL HA 1 16 SER H 3.400 . 3.400 2.748 2.602 2.837 . 0 0 "[ . 1 . ]" 1
574 1 28 SER HB2 1 29 HIS HD2 5.000 . 5.000 4.160 3.097 4.987 . 0 0 "[ . 1 . ]" 1
575 1 29 HIS HA 1 29 HIS HD2 5.000 . 5.000 2.553 2.065 4.718 . 0 0 "[ . 1 . ]" 1
576 1 35 ARG HB3 1 35 ARG HE 5.000 . 5.000 4.472 4.114 4.647 . 0 0 "[ . 1 . ]" 1
577 1 37 LYS H 1 37 LYS HB2 3.400 2.400 3.400 2.407 2.382 2.438 0.018 7 0 "[ . 1 . ]" 1
578 1 39 GLU HA 1 42 MET H 5.000 . 5.000 3.238 3.186 3.283 . 0 0 "[ . 1 . ]" 1
579 1 41 ALA HA 1 42 MET H 5.000 . 5.000 3.530 3.517 3.548 . 0 0 "[ . 1 . ]" 1
580 1 41 ALA H 1 42 MET H 3.400 . 3.400 2.619 2.591 2.666 . 0 0 "[ . 1 . ]" 1
581 1 60 GLN HA 1 61 SER H 3.400 . 3.400 3.169 2.265 3.529 0.129 10 0 "[ . 1 . ]" 1
582 1 5 THR HA 1 6 LEU HA 5.000 . 5.000 4.259 4.245 4.275 . 0 0 "[ . 1 . ]" 1
583 1 6 LEU HA 1 9 VAL HB 5.000 . 5.000 5.083 5.043 5.117 0.117 7 0 "[ . 1 . ]" 1
584 1 8 ASP H 1 9 VAL HB 6.000 2.800 6.000 6.164 6.128 6.198 0.198 13 0 "[ . 1 . ]" 1
585 1 10 ALA MB 1 20 VAL H 5.000 . 5.000 3.619 3.437 3.726 . 0 0 "[ . 1 . ]" 1
586 1 18 ALA MB 1 20 VAL H 5.000 . 5.000 4.675 4.548 4.784 . 0 0 "[ . 1 . ]" 1
587 1 6 LEU HB3 1 47 TYR HH 5.000 . 5.000 3.241 3.006 3.723 . 0 0 "[ . 1 . ]" 1
588 2 3 PRO HA 2 4 VAL H 2.800 . 2.800 2.634 2.427 2.800 . 8 0 "[ . 1 . ]" 1
589 2 3 PRO HB3 2 4 VAL H 2.800 . 2.800 2.738 2.587 2.851 0.051 7 0 "[ . 1 . ]" 1
590 2 3 PRO HB2 2 4 VAL H 2.800 . 2.800 2.429 2.109 2.850 0.050 4 0 "[ . 1 . ]" 1
591 2 4 VAL H 2 4 VAL HA 2.800 . 2.800 2.842 2.808 2.921 0.121 6 0 "[ . 1 . ]" 1
592 2 4 VAL H 2 4 VAL HB 2.800 . 2.800 2.791 2.677 2.875 0.075 16 0 "[ . 1 . ]" 1
593 2 4 VAL HB 2 5 THR H 3.400 . 3.400 3.575 3.442 3.645 0.245 12 0 "[ . 1 . ]" 1
594 2 4 VAL H 2 5 THR H 5.000 . 5.000 4.595 4.506 4.642 . 0 0 "[ . 1 . ]" 1
595 2 5 THR HA 2 6 LEU H 3.400 . 3.400 2.583 2.502 2.671 . 0 0 "[ . 1 . ]" 1
596 2 5 THR HB 2 6 LEU H 3.400 . 3.400 1.945 1.799 2.093 0.001 5 0 "[ . 1 . ]" 1
597 2 6 LEU H 2 6 LEU HB3 3.400 . 3.400 3.389 3.354 3.485 0.085 5 0 "[ . 1 . ]" 1
598 2 5 THR HA 2 7 TYR H 5.000 . 5.000 4.222 4.104 4.290 . 0 0 "[ . 1 . ]" 1
599 2 5 THR HB 2 7 TYR H 3.400 . 3.400 2.508 2.336 2.619 . 0 0 "[ . 1 . ]" 1
600 2 5 THR H 2 7 TYR H 5.000 . 5.000 4.446 4.311 4.544 . 0 0 "[ . 1 . ]" 1
601 2 6 LEU HA 2 7 TYR H 5.000 . 5.000 3.443 3.403 3.461 . 0 0 "[ . 1 . ]" 1
602 2 6 LEU HB2 2 7 TYR H 3.400 . 3.400 3.464 3.407 3.501 0.101 6 0 "[ . 1 . ]" 1
603 2 6 LEU H 2 7 TYR H 3.400 . 3.400 2.465 2.358 2.532 . 0 0 "[ . 1 . ]" 1
604 2 7 TYR H 2 7 TYR HB3 3.400 . 3.400 3.517 3.475 3.543 0.143 8 0 "[ . 1 . ]" 1
605 2 7 TYR H 2 7 TYR HB2 3.400 . 3.400 2.291 2.177 2.689 . 0 0 "[ . 1 . ]" 1
606 2 7 TYR H 2 7 TYR QE 5.000 . 5.000 4.510 4.234 4.769 . 0 0 "[ . 1 . ]" 1
607 2 5 THR H 2 8 ASP HA 5.000 . 5.000 4.876 4.829 4.954 . 0 0 "[ . 1 . ]" 1
608 2 5 THR H 2 8 ASP HB3 3.400 . 3.400 3.544 3.487 3.604 0.204 5 0 "[ . 1 . ]" 1
609 2 5 THR H 2 8 ASP HB2 3.400 . 3.400 2.142 2.016 2.226 . 0 0 "[ . 1 . ]" 1
610 2 5 THR H 2 8 ASP H 3.400 . 3.400 3.214 3.140 3.322 . 0 0 "[ . 1 . ]" 1
611 2 7 TYR HA 2 8 ASP H 3.400 . 3.400 3.494 3.482 3.508 0.108 5 0 "[ . 1 . ]" 1
612 2 7 TYR H 2 8 ASP H 2.800 . 2.800 2.522 2.494 2.539 . 0 0 "[ . 1 . ]" 1
613 2 8 ASP H 2 8 ASP HB3 3.400 . 3.400 3.483 3.388 3.505 0.105 8 0 "[ . 1 . ]" 1
614 2 8 ASP H 2 8 ASP HB2 2.800 . 2.800 2.272 2.093 2.352 . 0 0 "[ . 1 . ]" 1
615 2 8 ASP HB3 2 9 VAL H 3.400 . 3.400 3.139 2.894 3.238 . 0 0 "[ . 1 . ]" 1
616 2 9 VAL H 2 9 VAL HB 3.400 . 3.400 3.430 3.412 3.446 0.046 12 0 "[ . 1 . ]" 1
617 2 6 LEU HA 2 10 ALA H 5.000 . 5.000 3.778 3.721 3.831 . 0 0 "[ . 1 . ]" 1
618 2 7 TYR HA 2 10 ALA H 5.000 . 5.000 3.633 3.546 3.733 . 0 0 "[ . 1 . ]" 1
619 2 8 ASP HB2 2 10 ALA H 5.000 . 5.000 4.553 4.486 4.897 . 0 0 "[ . 1 . ]" 1
620 2 9 VAL HA 2 10 ALA H 3.400 . 3.400 3.441 3.430 3.450 0.050 9 0 "[ . 1 . ]" 1
621 2 9 VAL HB 2 10 ALA H 5.000 . 5.000 4.418 4.401 4.435 . 0 0 "[ . 1 . ]" 1
622 2 9 VAL H 2 10 ALA H 2.800 . 2.800 2.621 2.564 2.663 . 0 0 "[ . 1 . ]" 1
623 2 10 ALA H 2 10 ALA MB 2.800 . 2.800 2.278 2.226 2.299 . 0 0 "[ . 1 . ]" 1
624 2 8 ASP HA 2 11 GLU H 3.400 . 3.400 3.464 3.425 3.506 0.106 5 0 "[ . 1 . ]" 1
625 2 8 ASP H 2 11 GLU H 5.000 . 5.000 4.467 4.377 4.520 . 0 0 "[ . 1 . ]" 1
626 2 9 VAL HA 2 11 GLU H 3.700 2.100 3.700 3.845 3.825 3.871 0.171 14 0 "[ . 1 . ]" 1
627 2 9 VAL HB 2 11 GLU H 6.000 2.800 6.000 5.787 5.759 5.816 . 0 0 "[ . 1 . ]" 1
628 2 10 ALA HA 2 11 GLU H 3.400 . 3.400 3.457 3.447 3.474 0.074 8 0 "[ . 1 . ]" 1
629 2 10 ALA MB 2 11 GLU H 3.400 . 3.400 2.617 2.541 2.654 . 0 0 "[ . 1 . ]" 1
630 2 10 ALA H 2 11 GLU H 3.400 . 3.400 2.356 2.324 2.388 . 0 0 "[ . 1 . ]" 1
631 2 11 GLU H 2 11 GLU HA 2.800 . 2.800 2.842 2.834 2.853 0.053 4 0 "[ . 1 . ]" 1
632 2 8 ASP HA 2 12 TYR H 5.000 . 5.000 4.076 4.034 4.132 . 0 0 "[ . 1 . ]" 1
633 2 9 VAL H 2 12 TYR H 5.000 . 5.000 4.609 4.519 4.667 . 0 0 "[ . 1 . ]" 1
634 2 10 ALA HA 2 12 TYR H 5.000 . 5.000 4.377 4.290 4.480 . 0 0 "[ . 1 . ]" 1
635 2 11 GLU HB2 2 12 TYR H 2.800 . 2.800 2.940 2.862 3.023 0.223 8 0 "[ . 1 . ]" 1
636 2 12 TYR H 2 12 TYR HA 2.800 . 2.800 2.791 2.781 2.798 . 0 0 "[ . 1 . ]" 1
637 2 12 TYR H 2 12 TYR HB3 2.800 . 2.800 2.922 2.890 2.944 0.144 4 0 "[ . 1 . ]" 1
638 2 12 TYR H 2 12 TYR HB2 2.800 . 2.800 1.944 1.908 1.978 . 0 0 "[ . 1 . ]" 1
639 2 12 TYR H 2 12 TYR QD 5.000 . 5.000 3.627 3.530 3.739 . 0 0 "[ . 1 . ]" 1
640 2 10 ALA HA 2 13 ALA H 5.000 . 5.000 3.581 3.506 3.631 . 0 0 "[ . 1 . ]" 1
641 2 12 TYR H 2 13 ALA MB 5.000 . 5.000 4.301 4.273 4.347 . 0 0 "[ . 1 . ]" 1
642 2 12 TYR HA 2 13 ALA H 3.400 . 3.400 3.463 3.442 3.477 0.077 7 0 "[ . 1 . ]" 1
643 2 12 TYR HB3 2 13 ALA H 2.800 . 2.800 1.977 1.925 2.065 . 0 0 "[ . 1 . ]" 1
644 2 12 TYR HB2 2 13 ALA H 2.800 . 2.800 2.904 2.853 2.956 0.156 14 0 "[ . 1 . ]" 1
645 2 12 TYR QD 2 13 ALA H 5.000 . 5.000 3.857 3.809 3.962 . 0 0 "[ . 1 . ]" 1
646 2 12 TYR H 2 13 ALA H 2.800 . 2.800 2.714 2.666 2.749 . 0 0 "[ . 1 . ]" 1
647 2 13 ALA H 2 13 ALA HA 2.800 . 2.800 2.778 2.763 2.812 0.012 1 0 "[ . 1 . ]" 1
648 2 13 ALA H 2 13 ALA MB 2.800 . 2.800 2.219 2.198 2.238 . 0 0 "[ . 1 . ]" 1
649 2 10 ALA HA 2 14 GLY H 5.000 . 5.000 4.087 3.984 4.216 . 0 0 "[ . 1 . ]" 1
650 2 12 TYR HB3 2 14 GLY H 5.000 . 5.000 4.378 4.338 4.404 . 0 0 "[ . 1 . ]" 1
651 2 13 ALA HA 2 14 GLY H 3.400 . 3.400 3.433 3.413 3.454 0.054 9 0 "[ . 1 . ]" 1
652 2 13 ALA MB 2 14 GLY H 3.400 . 3.400 2.973 2.896 3.050 . 0 0 "[ . 1 . ]" 1
653 2 13 ALA H 2 14 GLY H 2.800 . 2.800 2.724 2.626 2.766 . 0 0 "[ . 1 . ]" 1
654 2 14 GLY H 2 14 GLY HA2 2.800 . 2.800 2.894 2.878 2.940 0.140 14 0 "[ . 1 . ]" 1
655 2 10 ALA HA 2 15 VAL H 5.000 3.400 5.000 3.591 3.389 4.716 0.011 13 0 "[ . 1 . ]" 1
656 2 13 ALA HA 2 15 VAL H 5.000 . 5.000 5.015 4.570 5.107 0.107 4 0 "[ . 1 . ]" 1
657 2 13 ALA MB 2 15 VAL H 5.000 . 5.000 3.263 3.169 3.337 . 0 0 "[ . 1 . ]" 1
658 2 13 ALA H 2 15 VAL H 5.000 . 5.000 4.439 4.281 5.019 0.019 1 0 "[ . 1 . ]" 1
659 2 14 GLY HA2 2 15 VAL H 3.400 2.400 3.400 3.388 2.475 3.526 0.126 6 0 "[ . 1 . ]" 1
660 2 16 SER H 2 19 THR HA 5.000 . 5.000 5.064 5.020 5.148 0.148 1 0 "[ . 1 . ]" 1
661 2 15 VAL HB 2 16 SER H 3.400 . 3.400 1.787 1.751 1.836 0.049 15 0 "[ . 1 . ]" 1
662 2 15 VAL H 2 16 SER H 5.000 . 5.000 4.243 4.173 4.410 . 0 0 "[ . 1 . ]" 1
663 2 16 SER H 2 16 SER HB2 3.700 2.100 3.700 3.743 3.725 3.772 0.072 15 0 "[ . 1 . ]" 1
664 2 10 ALA MB 2 17 VAL H 5.000 . 5.000 3.484 3.401 3.576 . 0 0 "[ . 1 . ]" 1
665 2 15 VAL HB 2 17 VAL H 6.000 2.800 6.000 5.995 5.958 6.011 0.011 11 0 "[ . 1 . ]" 1
666 2 16 SER HA 2 17 VAL H 2.800 . 2.800 2.607 2.577 2.673 . 0 0 "[ . 1 . ]" 1
667 2 16 SER HB2 2 17 VAL H 3.400 . 3.400 2.208 2.091 2.289 . 0 0 "[ . 1 . ]" 1
668 2 16 SER H 2 17 VAL H 5.000 . 5.000 4.431 4.392 4.465 . 0 0 "[ . 1 . ]" 1
669 2 17 VAL H 2 17 VAL HB 3.400 . 3.400 3.593 3.574 3.610 0.210 15 0 "[ . 1 . ]" 1
670 2 16 SER HA 2 18 ALA H 5.000 . 5.000 4.030 3.985 4.176 . 0 0 "[ . 1 . ]" 1
671 2 17 VAL H 2 18 ALA MB 5.000 . 5.000 3.996 3.892 4.067 . 0 0 "[ . 1 . ]" 1
672 2 17 VAL HA 2 18 ALA H 5.000 . 5.000 3.360 3.339 3.404 . 0 0 "[ . 1 . ]" 1
673 2 17 VAL HB 2 18 ALA H 5.000 . 5.000 4.095 3.972 4.134 . 0 0 "[ . 1 . ]" 1
674 2 17 VAL H 2 18 ALA H 3.400 . 3.400 2.327 2.210 2.413 . 0 0 "[ . 1 . ]" 1
675 2 18 ALA H 2 18 ALA MB 3.400 . 3.400 2.233 2.177 2.253 . 0 0 "[ . 1 . ]" 1
676 2 15 VAL HB 2 19 THR H 5.000 . 5.000 3.939 3.864 4.008 . 0 0 "[ . 1 . ]" 1
677 2 16 SER H 2 19 THR H 5.000 . 5.000 3.242 3.146 3.381 . 0 0 "[ . 1 . ]" 1
678 2 17 VAL HA 2 19 THR H 5.000 . 5.000 3.990 3.783 4.099 . 0 0 "[ . 1 . ]" 1
679 2 17 VAL H 2 19 THR H 5.000 . 5.000 4.103 3.907 4.199 . 0 0 "[ . 1 . ]" 1
680 2 18 ALA H 2 19 THR HA 5.000 . 5.000 5.064 5.044 5.115 0.115 14 0 "[ . 1 . ]" 1
681 2 18 ALA MB 2 19 THR H 3.400 . 3.400 2.691 2.590 2.814 . 0 0 "[ . 1 . ]" 1
682 2 18 ALA H 2 19 THR H 3.400 . 3.400 2.455 2.428 2.516 . 0 0 "[ . 1 . ]" 1
683 2 19 THR H 2 19 THR HB 3.400 . 3.400 2.942 2.852 3.035 . 0 0 "[ . 1 . ]" 1
684 2 17 VAL HA 2 20 VAL H 3.400 . 3.400 3.277 3.096 3.374 . 0 0 "[ . 1 . ]" 1
685 2 18 ALA H 2 20 VAL H 5.000 . 5.000 4.090 3.920 4.234 . 0 0 "[ . 1 . ]" 1
686 2 19 THR H 2 20 VAL HB 5.000 . 5.000 4.588 4.439 4.674 . 0 0 "[ . 1 . ]" 1
687 2 19 THR HA 2 20 VAL H 3.400 . 3.400 3.501 3.482 3.513 0.113 8 0 "[ . 1 . ]" 1
688 2 19 THR HB 2 20 VAL H 5.000 . 5.000 2.473 2.353 2.648 . 0 0 "[ . 1 . ]" 1
689 2 19 THR H 2 20 VAL H 3.400 . 3.400 2.526 2.415 2.625 . 0 0 "[ . 1 . ]" 1
690 2 20 VAL H 2 20 VAL HB 3.400 . 3.400 2.426 2.371 2.463 . 0 0 "[ . 1 . ]" 1
691 2 19 THR H 2 21 SER H 5.000 . 5.000 4.094 3.942 4.173 . 0 0 "[ . 1 . ]" 1
692 2 20 VAL HA 2 21 SER H 5.000 . 5.000 3.566 3.533 3.600 . 0 0 "[ . 1 . ]" 1
693 2 20 VAL HB 2 21 SER H 3.400 . 3.400 2.703 2.648 2.753 . 0 0 "[ . 1 . ]" 1
694 2 20 VAL H 2 21 SER H 3.400 . 3.400 2.806 2.727 2.947 . 0 0 "[ . 1 . ]" 1
695 2 21 SER H 2 21 SER HA 2.800 . 2.800 2.777 2.755 2.800 0.000 16 0 "[ . 1 . ]" 1
696 2 19 THR HA 2 22 ARG H 5.000 . 5.000 3.679 3.489 3.884 . 0 0 "[ . 1 . ]" 1
697 2 21 SER H 2 22 ARG H 3.400 . 3.400 2.659 2.576 2.737 . 0 0 "[ . 1 . ]" 1
698 2 22 ARG H 2 22 ARG HA 2.800 . 2.800 2.821 2.807 2.835 0.035 15 0 "[ . 1 . ]" 1
699 2 22 ARG H 2 22 ARG HB3 3.400 . 3.400 3.552 3.436 3.607 0.207 8 0 "[ . 1 . ]" 1
700 2 22 ARG H 2 22 ARG HB2 3.400 . 3.400 2.433 2.145 2.755 . 0 0 "[ . 1 . ]" 1
701 2 22 ARG H 2 22 ARG HG3 3.400 . 3.400 3.544 3.437 3.668 0.268 5 0 "[ . 1 . ]" 1
702 2 20 VAL HA 2 23 VAL H 5.000 . 5.000 3.216 3.118 3.339 . 0 0 "[ . 1 . ]" 1
703 2 22 ARG H 2 23 VAL HB 5.000 . 5.000 4.900 4.817 5.005 0.005 16 0 "[ . 1 . ]" 1
704 2 22 ARG HA 2 23 VAL H 3.400 . 3.400 3.517 3.506 3.535 0.135 16 0 "[ . 1 . ]" 1
705 2 22 ARG HB3 2 23 VAL H 5.000 . 5.000 3.359 2.761 3.760 . 0 0 "[ . 1 . ]" 1
706 2 22 ARG HG3 2 23 VAL H 5.000 3.400 5.000 4.660 4.344 4.785 . 0 0 "[ . 1 . ]" 1
707 2 22 ARG H 2 23 VAL H 3.400 . 3.400 2.627 2.588 2.716 . 0 0 "[ . 1 . ]" 1
708 2 23 VAL H 2 23 VAL HB 2.800 . 2.800 2.590 2.554 2.626 . 0 0 "[ . 1 . ]" 1
709 2 20 VAL HA 2 24 VAL H 5.000 . 5.000 3.809 3.657 3.978 . 0 0 "[ . 1 . ]" 1
710 2 17 VAL HA 2 21 SER H 5.000 . 5.000 3.744 3.515 3.950 . 0 0 "[ . 1 . ]" 1
711 2 21 SER HA 2 24 VAL H 3.400 . 3.400 3.340 3.257 3.405 0.005 13 0 "[ . 1 . ]" 1
712 2 23 VAL HA 2 24 VAL H 5.000 . 5.000 3.505 3.487 3.518 . 0 0 "[ . 1 . ]" 1
713 2 23 VAL H 2 24 VAL H 3.400 . 3.400 2.528 2.430 2.604 . 0 0 "[ . 1 . ]" 1
714 2 21 SER HA 2 25 ASN H 3.700 2.100 3.700 3.865 3.813 3.911 0.211 14 0 "[ . 1 . ]" 1
715 2 22 ARG H 2 25 ASN HD21 5.000 . 5.000 4.461 4.295 4.616 . 0 0 "[ . 1 . ]" 1
716 2 22 ARG HB2 2 25 ASN H 5.000 . 5.000 5.084 5.013 5.195 0.195 16 0 "[ . 1 . ]" 1
717 2 23 VAL HA 2 25 ASN H 5.000 . 5.000 3.929 3.810 4.033 . 0 0 "[ . 1 . ]" 1
718 2 24 VAL HB 2 25 ASN HD21 5.000 . 5.000 3.634 3.319 3.803 . 0 0 "[ . 1 . ]" 1
719 2 24 VAL HA 2 25 ASN H 3.400 . 3.400 3.450 3.423 3.505 0.105 15 0 "[ . 1 . ]" 1
720 2 24 VAL HB 2 25 ASN H 2.800 . 2.800 2.816 2.661 2.911 0.111 9 0 "[ . 1 . ]" 1
721 2 24 VAL H 2 25 ASN H 3.400 . 3.400 2.526 2.479 2.661 . 0 0 "[ . 1 . ]" 1
722 2 25 ASN HB3 2 25 ASN HD21 3.400 . 3.400 3.414 3.371 3.452 0.052 15 0 "[ . 1 . ]" 1
723 2 25 ASN HB2 2 25 ASN HD21 3.400 . 3.400 2.172 2.136 2.218 . 0 0 "[ . 1 . ]" 1
724 2 25 ASN H 2 25 ASN HB3 3.400 . 3.400 3.495 3.464 3.540 0.140 16 0 "[ . 1 . ]" 1
725 2 25 ASN H 2 25 ASN HB2 3.400 . 3.400 2.227 2.184 2.263 . 0 0 "[ . 1 . ]" 1
726 2 25 ASN H 2 25 ASN HD21 3.400 . 3.400 2.982 2.605 3.181 . 0 0 "[ . 1 . ]" 1
727 2 23 VAL HA 2 26 GLN H 3.400 . 3.400 3.544 3.354 3.629 0.229 12 0 "[ . 1 . ]" 1
728 2 25 ASN HA 2 26 GLN H 3.400 . 3.400 3.048 2.972 3.149 . 0 0 "[ . 1 . ]" 1
729 2 25 ASN HB3 2 26 GLN H 5.000 . 5.000 4.191 4.094 4.307 . 0 0 "[ . 1 . ]" 1
730 2 25 ASN HB2 2 26 GLN H 5.000 . 5.000 3.973 3.840 4.053 . 0 0 "[ . 1 . ]" 1
731 2 26 GLN H 2 26 GLN HA 2.800 . 2.800 2.275 2.246 2.335 . 0 0 "[ . 1 . ]" 1
732 2 22 ARG HB2 2 27 ALA H 5.000 . 5.000 5.132 4.710 5.330 0.330 11 0 "[ . 1 . ]" 1
733 2 23 VAL HA 2 27 ALA H 5.000 . 5.000 2.416 1.757 3.551 0.043 11 0 "[ . 1 . ]" 1
734 2 25 ASN H 2 27 ALA MB 5.000 . 5.000 5.214 4.372 5.673 0.673 15 1 "[ . 1 + ]" 1
735 2 25 ASN HB3 2 27 ALA H 5.000 . 5.000 4.428 3.329 5.161 0.161 2 0 "[ . 1 . ]" 1
736 2 25 ASN HB2 2 27 ALA H 5.000 . 5.000 4.212 3.547 4.889 . 0 0 "[ . 1 . ]" 1
737 2 25 ASN H 2 27 ALA H 5.000 . 5.000 3.704 3.531 3.824 . 0 0 "[ . 1 . ]" 1
738 2 26 GLN HA 2 27 ALA H 3.400 . 3.400 2.845 2.387 3.454 0.054 6 0 "[ . 1 . ]" 1
739 2 26 GLN HB2 2 27 ALA H 5.000 . 5.000 3.819 3.019 4.359 . 0 0 "[ . 1 . ]" 1
740 2 26 GLN HG2 2 27 ALA H 5.000 . 5.000 5.075 4.809 5.805 0.805 16 1 "[ . 1 .+]" 1
741 2 26 GLN H 2 27 ALA H 2.800 . 2.800 2.675 2.516 2.896 0.096 5 0 "[ . 1 . ]" 1
742 2 27 ALA H 2 27 ALA HA 2.800 . 2.800 2.316 2.220 2.731 . 0 0 "[ . 1 . ]" 1
743 2 27 ALA H 2 27 ALA MB 3.400 . 3.400 2.711 2.105 3.143 . 0 0 "[ . 1 . ]" 1
744 2 27 ALA MB 2 28 SER H 3.400 . 3.400 2.208 1.864 2.833 . 0 0 "[ . 1 . ]" 1
745 2 27 ALA H 2 28 SER H 5.000 . 5.000 4.090 3.520 4.573 . 0 0 "[ . 1 . ]" 1
746 2 28 SER H 2 28 SER HA 2.800 . 2.800 2.534 2.228 2.908 0.108 14 0 "[ . 1 . ]" 1
747 2 28 SER H 2 28 SER HB2 3.400 . 3.400 3.329 2.609 3.560 0.160 11 0 "[ . 1 . ]" 1
748 2 27 ALA MB 2 29 HIS H 5.000 . 5.000 3.981 2.896 4.872 . 0 0 "[ . 1 . ]" 1
749 2 27 ALA H 2 29 HIS H 6.000 2.800 6.000 5.751 5.096 6.194 0.194 1 0 "[ . 1 . ]" 1
750 2 28 SER HA 2 29 HIS H 3.400 . 3.400 3.490 3.397 3.527 0.127 2 0 "[ . 1 . ]" 1
751 2 28 SER HB2 2 29 HIS H 3.400 . 3.400 2.347 1.836 3.008 . 0 0 "[ . 1 . ]" 1
752 2 29 HIS H 2 29 HIS HB2 3.400 . 3.400 2.443 2.247 2.720 . 0 0 "[ . 1 . ]" 1
753 2 22 ARG HG3 2 30 VAL H 5.000 . 5.000 5.039 4.715 5.282 0.282 5 0 "[ . 1 . ]" 1
754 2 28 SER HB2 2 30 VAL H 5.000 . 5.000 4.475 3.878 5.051 0.051 15 0 "[ . 1 . ]" 1
755 2 29 HIS HA 2 30 VAL H 3.200 2.200 3.200 3.099 2.543 3.455 0.255 16 0 "[ . 1 . ]" 1
756 2 29 HIS HB3 2 30 VAL H 5.000 . 5.000 4.095 3.677 4.354 . 0 0 "[ . 1 . ]" 1
757 2 29 HIS HB2 2 30 VAL H 5.000 . 5.000 3.838 3.138 4.497 . 0 0 "[ . 1 . ]" 1
758 2 29 HIS H 2 30 VAL H 3.400 . 3.400 2.504 1.786 3.163 0.014 6 0 "[ . 1 . ]" 1
759 2 30 VAL H 2 30 VAL HA 2.800 . 2.800 2.871 2.794 2.920 0.120 15 0 "[ . 1 . ]" 1
760 2 30 VAL H 2 30 VAL HB 2.800 . 2.800 2.307 2.123 2.595 . 0 0 "[ . 1 . ]" 1
761 2 30 VAL H 2 31 SER HA 5.000 . 5.000 5.036 4.688 5.320 0.320 16 0 "[ . 1 . ]" 1
762 2 30 VAL HA 2 31 SER H 3.400 . 3.400 2.361 2.137 3.504 0.104 2 0 "[ . 1 . ]" 1
763 2 30 VAL HB 2 31 SER H 5.000 . 5.000 4.231 2.897 4.532 . 0 0 "[ . 1 . ]" 1
764 2 30 VAL H 2 31 SER H 5.000 . 5.000 4.203 2.798 4.539 . 0 0 "[ . 1 . ]" 1
765 2 30 VAL H 2 32 ALA H 5.000 . 5.000 4.308 4.123 4.661 . 0 0 "[ . 1 . ]" 1
766 2 31 SER HA 2 32 ALA H 3.400 . 3.400 2.292 2.229 2.338 . 0 0 "[ . 1 . ]" 1
767 2 31 SER H 2 32 ALA H 5.000 . 5.000 4.563 4.180 4.631 . 0 0 "[ . 1 . ]" 1
768 2 32 ALA H 2 32 ALA HA 2.800 . 2.800 2.740 2.726 2.755 . 0 0 "[ . 1 . ]" 1
769 2 32 ALA H 2 32 ALA MB 2.800 . 2.800 2.227 2.206 2.243 . 0 0 "[ . 1 . ]" 1
770 2 31 SER HB2 2 33 LYS H 3.400 . 3.400 2.986 2.710 3.498 0.098 2 0 "[ . 1 . ]" 1
771 2 32 ALA MB 2 33 LYS H 2.800 . 2.800 2.445 2.395 2.544 . 0 0 "[ . 1 . ]" 1
772 2 32 ALA H 2 33 LYS H 3.400 . 3.400 2.942 2.905 3.042 . 0 0 "[ . 1 . ]" 1
773 2 33 LYS H 2 33 LYS HA 2.800 . 2.800 2.780 2.760 2.801 0.001 9 0 "[ . 1 . ]" 1
774 2 33 LYS H 2 33 LYS HB2 2.800 . 2.800 2.142 2.044 2.405 . 0 0 "[ . 1 . ]" 1
775 2 32 ALA MB 2 34 THR H 5.000 . 5.000 4.530 4.401 4.702 . 0 0 "[ . 1 . ]" 1
776 2 33 LYS H 2 34 THR HB 5.000 . 5.000 5.029 4.961 5.093 0.093 11 0 "[ . 1 . ]" 1
777 2 33 LYS HA 2 34 THR H 3.400 . 3.400 3.510 3.488 3.525 0.125 15 0 "[ . 1 . ]" 1
778 2 33 LYS HB3 2 34 THR H 2.800 . 2.800 2.765 2.332 2.870 0.070 16 0 "[ . 1 . ]" 1
779 2 33 LYS H 2 34 THR H 2.800 . 2.800 2.753 2.661 2.881 0.081 2 0 "[ . 1 . ]" 1
780 2 34 THR H 2 34 THR HA 2.800 . 2.800 2.815 2.790 2.852 0.052 13 0 "[ . 1 . ]" 1
781 2 34 THR H 2 34 THR HB 2.800 . 2.800 2.567 2.473 2.634 . 0 0 "[ . 1 . ]" 1
782 2 32 ALA H 2 35 ARG HB3 5.000 . 5.000 4.996 4.478 5.139 0.139 8 0 "[ . 1 . ]" 1
783 2 33 LYS HA 2 35 ARG H 5.000 . 5.000 4.508 3.667 4.683 . 0 0 "[ . 1 . ]" 1
784 2 33 LYS H 2 35 ARG H 5.000 . 5.000 4.196 3.952 4.262 . 0 0 "[ . 1 . ]" 1
785 2 34 THR HA 2 35 ARG H 3.400 . 3.400 3.493 3.196 3.525 0.125 2 0 "[ . 1 . ]" 1
786 2 34 THR H 2 35 ARG H 2.800 . 2.800 2.627 2.537 2.706 . 0 0 "[ . 1 . ]" 1
787 2 35 ARG H 2 35 ARG HD2 5.000 . 5.000 4.731 4.578 4.859 . 0 0 "[ . 1 . ]" 1
788 2 33 LYS H 2 36 GLU H 5.000 . 5.000 4.883 4.688 4.991 . 0 0 "[ . 1 . ]" 1
789 2 35 ARG HA 2 36 GLU H 3.400 . 3.400 3.482 3.431 3.508 0.108 8 0 "[ . 1 . ]" 1
790 2 35 ARG HB3 2 36 GLU H 2.800 . 2.800 2.566 2.465 2.676 . 0 0 "[ . 1 . ]" 1
791 2 35 ARG QG 2 36 GLU H 5.000 . 5.000 3.953 3.799 4.075 . 0 0 "[ . 1 . ]" 1
792 2 35 ARG H 2 36 GLU H 3.400 . 3.400 2.737 1.888 2.857 . 0 0 "[ . 1 . ]" 1
793 2 36 GLU H 2 36 GLU HA 2.800 . 2.800 2.855 2.839 2.871 0.071 13 0 "[ . 1 . ]" 1
794 2 36 GLU H 2 36 GLU HB2 2.800 . 2.800 2.394 2.308 2.476 . 0 0 "[ . 1 . ]" 1
795 2 36 GLU H 2 36 GLU HG3 2.800 . 2.800 2.418 2.244 2.684 . 0 0 "[ . 1 . ]" 1
796 2 34 THR HB 2 37 LYS H 5.000 . 5.000 5.105 5.064 5.181 0.181 13 0 "[ . 1 . ]" 1
797 2 35 ARG H 2 37 LYS H 5.000 . 5.000 3.895 2.955 3.988 . 0 0 "[ . 1 . ]" 1
798 2 36 GLU HA 2 37 LYS H 3.400 . 3.400 3.454 3.440 3.466 0.066 11 0 "[ . 1 . ]" 1
799 2 36 GLU HG3 2 37 LYS H 5.000 . 5.000 4.282 4.152 4.447 . 0 0 "[ . 1 . ]" 1
800 2 36 GLU H 2 37 LYS H 2.800 . 2.800 2.371 2.232 2.443 . 0 0 "[ . 1 . ]" 1
801 2 37 LYS H 2 37 LYS HA 2.800 . 2.800 2.750 2.744 2.757 . 0 0 "[ . 1 . ]" 1
802 2 37 LYS H 2 37 LYS HB3 2.800 . 2.800 2.494 2.477 2.513 . 0 0 "[ . 1 . ]" 1
803 2 37 LYS H 2 37 LYS HD3 6.000 2.800 6.000 5.831 5.792 5.862 . 0 0 "[ . 1 . ]" 1
804 2 37 LYS H 2 37 LYS HG3 5.000 . 5.000 4.416 4.397 4.434 . 0 0 "[ . 1 . ]" 1
805 2 35 ARG HA 2 38 VAL H 5.000 . 5.000 3.845 3.676 4.062 . 0 0 "[ . 1 . ]" 1
806 2 37 LYS H 2 38 VAL HA 5.300 2.100 5.300 5.383 5.367 5.409 0.109 15 0 "[ . 1 . ]" 1
807 2 37 LYS HA 2 38 VAL H 3.400 . 3.400 3.467 3.454 3.489 0.089 5 0 "[ . 1 . ]" 1
808 2 37 LYS HG2 2 38 VAL H 3.400 . 3.400 3.563 3.509 3.612 0.212 6 0 "[ . 1 . ]" 1
809 2 37 LYS H 2 38 VAL H 2.800 . 2.800 2.798 2.773 2.837 0.037 5 0 "[ . 1 . ]" 1
810 2 38 VAL H 2 38 VAL HB 3.400 . 3.400 3.651 3.637 3.664 0.264 14 0 "[ . 1 . ]" 1
811 2 35 ARG HA 2 39 GLU H 5.000 . 5.000 4.221 4.024 4.576 . 0 0 "[ . 1 . ]" 1
812 2 37 LYS H 2 39 GLU H 5.000 . 5.000 4.113 4.023 4.183 . 0 0 "[ . 1 . ]" 1
813 2 38 VAL HA 2 39 GLU H 5.000 . 5.000 3.546 3.527 3.559 . 0 0 "[ . 1 . ]" 1
814 2 38 VAL H 2 39 GLU H 3.400 . 3.400 2.454 2.405 2.489 . 0 0 "[ . 1 . ]" 1
815 2 39 GLU H 2 39 GLU HA 2.800 . 2.800 2.788 2.782 2.800 0.000 14 0 "[ . 1 . ]" 1
816 2 39 GLU H 2 39 GLU HG3 2.800 . 2.800 2.898 2.730 3.007 0.207 5 0 "[ . 1 . ]" 1
817 2 39 GLU H 2 39 GLU HG2 2.800 . 2.800 2.903 2.839 2.992 0.192 6 0 "[ . 1 . ]" 1
818 2 38 VAL HA 2 40 ALA H 5.000 . 5.000 4.218 4.174 4.261 . 0 0 "[ . 1 . ]" 1
819 2 39 GLU H 2 40 ALA HA 5.000 . 5.000 5.160 5.143 5.174 0.174 8 0 "[ . 1 . ]" 1
820 2 39 GLU H 2 40 ALA MB 5.000 . 5.000 4.249 4.220 4.274 . 0 0 "[ . 1 . ]" 1
821 2 39 GLU HA 2 40 ALA H 3.400 . 3.400 3.500 3.492 3.506 0.106 3 0 "[ . 1 . ]" 1
822 2 39 GLU HB3 2 40 ALA H 3.400 . 3.400 3.454 3.403 3.491 0.091 14 0 "[ . 1 . ]" 1
823 2 39 GLU HG3 2 40 ALA H 5.000 . 5.000 4.587 4.478 4.667 . 0 0 "[ . 1 . ]" 1
824 2 39 GLU HG2 2 40 ALA H 5.000 . 5.000 4.652 4.619 4.692 . 0 0 "[ . 1 . ]" 1
825 2 39 GLU H 2 40 ALA H 2.800 . 2.800 2.563 2.541 2.575 . 0 0 "[ . 1 . ]" 1
826 2 40 ALA H 2 40 ALA HA 2.800 . 2.800 2.791 2.782 2.800 0.000 16 0 "[ . 1 . ]" 1
827 2 40 ALA H 2 40 ALA MB 2.800 . 2.800 2.239 2.215 2.253 . 0 0 "[ . 1 . ]" 1
828 2 12 TYR H 2 41 ALA MB 5.000 . 5.000 3.947 3.883 4.038 . 0 0 "[ . 1 . ]" 1
829 2 12 TYR HB3 2 41 ALA H 5.000 . 5.000 4.874 4.776 5.022 0.022 5 0 "[ . 1 . ]" 1
830 2 12 TYR QD 2 41 ALA H 5.000 . 5.000 3.967 3.832 4.231 . 0 0 "[ . 1 . ]" 1
831 2 13 ALA H 2 41 ALA HA 5.000 . 5.000 5.052 5.003 5.138 0.138 14 0 "[ . 1 . ]" 1
832 2 13 ALA H 2 41 ALA MB 5.000 . 5.000 2.714 2.684 2.803 . 0 0 "[ . 1 . ]" 1
833 2 13 ALA MB 2 41 ALA H 5.000 . 5.000 3.923 3.866 4.015 . 0 0 "[ . 1 . ]" 1
834 2 38 VAL HA 2 41 ALA H 3.400 . 3.400 3.096 3.054 3.144 . 0 0 "[ . 1 . ]" 1
835 2 39 GLU H 2 41 ALA H 5.000 . 5.000 3.966 3.921 4.033 . 0 0 "[ . 1 . ]" 1
836 2 40 ALA HA 2 41 ALA H 3.400 . 3.400 3.484 3.470 3.504 0.104 10 0 "[ . 1 . ]" 1
837 2 40 ALA H 2 41 ALA H 2.800 . 2.800 2.605 2.569 2.642 . 0 0 "[ . 1 . ]" 1
838 2 41 ALA H 2 41 ALA HA 2.800 . 2.800 2.802 2.790 2.810 0.010 8 0 "[ . 1 . ]" 1
839 2 41 ALA H 2 41 ALA MB 2.800 . 2.800 2.218 2.206 2.230 . 0 0 "[ . 1 . ]" 1
840 2 38 VAL HA 2 42 MET H 5.000 . 5.000 3.862 3.804 3.912 . 0 0 "[ . 1 . ]" 1
841 2 40 ALA HA 2 42 MET H 5.000 . 5.000 4.505 4.424 4.558 . 0 0 "[ . 1 . ]" 1
842 2 40 ALA H 2 42 MET H 5.000 . 5.000 4.088 4.047 4.125 . 0 0 "[ . 1 . ]" 1
843 2 41 ALA H 2 42 MET HA 5.000 . 5.000 5.211 5.195 5.237 0.237 15 0 "[ . 1 . ]" 1
844 2 41 ALA MB 2 42 MET H 3.400 . 3.400 2.385 2.346 2.433 . 0 0 "[ . 1 . ]" 1
845 2 42 MET H 2 42 MET HG3 3.400 . 3.400 2.339 2.210 2.475 . 0 0 "[ . 1 . ]" 1
846 2 41 ALA HA 2 43 ALA H 5.000 . 5.000 4.184 3.885 4.293 . 0 0 "[ . 1 . ]" 1
847 2 42 MET HA 2 43 ALA H 3.400 . 3.400 3.421 3.378 3.447 0.047 14 0 "[ . 1 . ]" 1
848 2 42 MET HG2 2 43 ALA H 5.000 . 5.000 4.884 4.773 5.008 0.008 7 0 "[ . 1 . ]" 1
849 2 42 MET H 2 43 ALA H 2.800 . 2.800 2.621 2.603 2.645 . 0 0 "[ . 1 . ]" 1
850 2 43 ALA H 2 43 ALA HA 2.800 . 2.800 2.805 2.785 2.846 0.046 7 0 "[ . 1 . ]" 1
851 2 43 ALA H 2 43 ALA MB 2.800 . 2.800 2.217 2.202 2.240 . 0 0 "[ . 1 . ]" 1
852 2 41 ALA H 2 44 GLU HG3 5.000 . 5.000 4.716 4.498 4.908 . 0 0 "[ . 1 . ]" 1
853 2 42 MET H 2 44 GLU H 5.000 . 5.000 4.467 4.436 4.488 . 0 0 "[ . 1 . ]" 1
854 2 42 MET HB3 2 43 ALA H 5.000 . 5.000 3.441 3.330 3.662 . 0 0 "[ . 1 . ]" 1
855 2 43 ALA HA 2 44 GLU H 3.400 . 3.400 3.544 3.527 3.556 0.156 10 0 "[ . 1 . ]" 1
856 2 43 ALA MB 2 44 GLU H 2.800 . 2.800 2.422 2.356 2.591 . 0 0 "[ . 1 . ]" 1
857 2 43 ALA H 2 44 GLU H 2.800 . 2.800 2.777 2.583 2.829 0.029 9 0 "[ . 1 . ]" 1
858 2 44 GLU H 2 44 GLU HA 2.800 . 2.800 2.774 2.764 2.784 . 0 0 "[ . 1 . ]" 1
859 2 44 GLU H 2 44 GLU HB3 3.400 . 3.400 3.538 3.522 3.546 0.146 10 0 "[ . 1 . ]" 1
860 2 44 GLU H 2 44 GLU HB2 2.800 . 2.800 2.553 2.527 2.595 . 0 0 "[ . 1 . ]" 1
861 2 44 GLU H 2 44 GLU HG3 2.800 . 2.800 2.436 2.163 2.583 . 0 0 "[ . 1 . ]" 1
862 2 42 MET HA 2 45 LEU H 5.000 . 5.000 4.196 4.122 4.392 . 0 0 "[ . 1 . ]" 1
863 2 44 GLU HA 2 45 LEU H 3.400 . 3.400 3.496 3.467 3.546 0.146 5 0 "[ . 1 . ]" 1
864 2 44 GLU HB3 2 45 LEU H 3.400 . 3.400 3.477 3.357 3.550 0.150 14 0 "[ . 1 . ]" 1
865 2 44 GLU HB2 2 45 LEU H 2.800 . 2.800 2.272 2.155 2.329 . 0 0 "[ . 1 . ]" 1
866 2 44 GLU HG3 2 45 LEU H 3.800 2.200 3.800 3.992 3.865 4.051 0.251 2 0 "[ . 1 . ]" 1
867 2 44 GLU H 2 45 LEU H 2.800 . 2.800 2.728 2.672 2.885 0.085 15 0 "[ . 1 . ]" 1
868 2 45 LEU H 2 45 LEU HA 2.800 . 2.800 2.840 2.821 2.850 0.050 11 0 "[ . 1 . ]" 1
869 2 45 LEU H 2 45 LEU HB3 3.400 . 3.400 3.426 3.047 3.520 0.120 11 0 "[ . 1 . ]" 1
870 2 45 LEU H 2 45 LEU HG 3.400 . 3.400 2.127 1.755 3.598 0.198 15 0 "[ . 1 . ]" 1
871 2 42 MET HA 2 46 ASN H 5.000 . 5.000 4.197 4.131 4.271 . 0 0 "[ . 1 . ]" 1
872 2 44 GLU HA 2 46 ASN H 5.000 . 5.000 4.221 4.143 4.310 . 0 0 "[ . 1 . ]" 1
873 2 44 GLU HB2 2 46 ASN H 5.000 . 5.000 4.514 4.383 4.592 . 0 0 "[ . 1 . ]" 1
874 2 44 GLU H 2 46 ASN H 5.000 . 5.000 3.795 3.704 3.831 . 0 0 "[ . 1 . ]" 1
875 2 45 LEU HB3 2 46 ASN H 4.000 2.400 4.000 4.130 4.074 4.298 0.298 5 0 "[ . 1 . ]" 1
876 2 45 LEU HB2 2 46 ASN H 3.400 . 3.400 3.084 2.909 3.612 0.212 5 0 "[ . 1 . ]" 1
877 2 46 ASN HB3 2 46 ASN HD21 3.400 . 3.400 3.422 3.049 3.469 0.069 14 0 "[ . 1 . ]" 1
878 2 46 ASN HB2 2 46 ASN HD21 3.400 . 3.400 2.241 2.107 2.311 . 0 0 "[ . 1 . ]" 1
879 2 46 ASN H 2 46 ASN HA 2.800 . 2.800 2.258 2.241 2.272 . 0 0 "[ . 1 . ]" 1
880 2 46 ASN H 2 46 ASN HB3 3.400 . 3.400 3.614 3.570 3.685 0.285 9 0 "[ . 1 . ]" 1
881 2 46 ASN H 2 46 ASN HB2 3.400 . 3.400 3.294 3.159 3.356 . 0 0 "[ . 1 . ]" 1
882 2 46 ASN H 2 46 ASN HD21 5.000 . 5.000 4.635 4.481 5.086 0.086 9 0 "[ . 1 . ]" 1
883 2 6 LEU H 2 47 TYR QD 5.000 . 5.000 4.508 4.255 5.027 0.027 14 0 "[ . 1 . ]" 1
884 2 42 MET HA 2 47 TYR H 3.400 . 3.400 3.219 3.105 3.395 . 0 0 "[ . 1 . ]" 1
885 2 45 LEU HB3 2 47 TYR H 6.000 2.800 6.000 5.206 4.809 5.947 . 0 0 "[ . 1 . ]" 1
886 2 46 ASN HA 2 47 TYR H 2.800 . 2.800 2.363 2.266 2.439 . 0 0 "[ . 1 . ]" 1
887 2 46 ASN H 2 47 TYR H 2.800 . 2.800 2.573 2.495 2.638 . 0 0 "[ . 1 . ]" 1
888 2 47 TYR H 2 47 TYR HB3 2.800 . 2.800 2.483 2.395 2.600 . 0 0 "[ . 1 . ]" 1
889 2 47 TYR H 2 47 TYR HB2 2.800 . 2.800 2.536 2.328 2.666 . 0 0 "[ . 1 . ]" 1
890 2 4 VAL HB 2 48 ILE H 5.000 . 5.000 3.434 2.818 4.593 . 0 0 "[ . 1 . ]" 1
891 2 47 TYR HA 2 48 ILE H 3.400 . 3.400 2.377 2.070 3.202 . 0 0 "[ . 1 . ]" 1
892 2 47 TYR HB3 2 48 ILE H 5.000 . 5.000 3.643 1.929 4.257 . 0 0 "[ . 1 . ]" 1
893 2 47 TYR HB2 2 48 ILE H 5.000 . 5.000 3.934 3.223 4.263 . 0 0 "[ . 1 . ]" 1
894 2 47 TYR QD 2 48 ILE H 2.800 . 2.800 2.603 1.959 2.878 0.078 15 0 "[ . 1 . ]" 1
895 2 47 TYR H 2 48 ILE H 5.000 . 5.000 4.402 3.967 4.544 . 0 0 "[ . 1 . ]" 1
896 2 48 ILE H 2 48 ILE HB 3.400 . 3.400 2.993 2.736 3.589 0.189 5 0 "[ . 1 . ]" 1
897 1 52 CYS HB3 2 56 LEU H 5.000 . 5.000 3.950 3.808 4.075 . 0 0 "[ . 1 . ]" 1
898 2 48 ILE H 2 49 PRO HD3 5.000 . 5.000 3.961 3.103 4.311 . 0 0 "[ . 1 . ]" 1
899 2 48 ILE H 2 49 PRO HD2 5.000 . 5.000 4.703 4.343 4.943 . 0 0 "[ . 1 . ]" 1
900 2 49 PRO HA 2 50 ASN H 3.400 . 3.400 2.474 2.217 2.599 . 0 0 "[ . 1 . ]" 1
901 2 49 PRO HB3 2 50 ASN H 5.000 . 5.000 3.499 3.392 3.661 . 0 0 "[ . 1 . ]" 1
902 2 49 PRO HB2 2 50 ASN H 3.400 . 3.400 2.564 2.345 2.814 . 0 0 "[ . 1 . ]" 1
903 2 49 PRO HG3 2 50 ASN H 5.000 . 5.000 5.075 4.947 5.198 0.198 16 0 "[ . 1 . ]" 1
904 2 49 PRO HG2 2 50 ASN H 5.000 . 5.000 4.372 4.235 4.438 . 0 0 "[ . 1 . ]" 1
905 2 50 ASN HB3 2 50 ASN HD21 3.400 . 3.400 3.084 2.954 3.373 . 0 0 "[ . 1 . ]" 1
906 2 50 ASN HB2 2 50 ASN HD21 3.400 . 3.400 2.128 2.073 2.172 . 0 0 "[ . 1 . ]" 1
907 2 50 ASN H 2 50 ASN HB3 4.000 2.400 4.000 3.439 3.336 3.503 . 0 0 "[ . 1 . ]" 1
908 2 50 ASN H 2 50 ASN HB2 3.400 . 3.400 2.271 2.136 2.324 . 0 0 "[ . 1 . ]" 1
909 2 50 ASN H 2 50 ASN HD21 5.000 . 5.000 3.890 3.322 4.113 . 0 0 "[ . 1 . ]" 1
910 2 50 ASN HA 2 51 ARG H 2.800 . 2.800 2.126 2.071 2.145 . 0 0 "[ . 1 . ]" 1
911 2 50 ASN HB3 2 51 ARG H 3.400 . 3.400 3.486 3.442 3.551 0.151 14 0 "[ . 1 . ]" 1
912 2 50 ASN HB2 2 51 ARG H 5.000 . 5.000 4.437 4.417 4.458 . 0 0 "[ . 1 . ]" 1
913 2 51 ARG H 2 53 ALA H 5.000 . 5.000 4.727 4.623 4.809 . 0 0 "[ . 1 . ]" 1
914 2 50 ASN H 2 51 ARG H 5.000 . 5.000 4.297 4.237 4.383 . 0 0 "[ . 1 . ]" 1
915 2 51 ARG H 2 51 ARG HA 2.800 . 2.800 2.775 2.757 2.787 . 0 0 "[ . 1 . ]" 1
916 2 51 ARG H 2 51 ARG HB3 3.400 . 3.400 3.038 2.810 3.312 . 0 0 "[ . 1 . ]" 1
917 2 51 ARG H 2 51 ARG HD3 5.000 . 5.000 4.545 3.944 5.057 0.057 5 0 "[ . 1 . ]" 1
918 2 51 ARG H 2 51 ARG HG3 5.000 . 5.000 4.409 4.192 4.532 . 0 0 "[ . 1 . ]" 1
919 2 50 ASN H 2 52 CYS H 5.000 . 5.000 5.167 5.123 5.248 0.248 14 0 "[ . 1 . ]" 1
920 2 51 ARG HB3 2 52 CYS H 3.400 . 3.400 3.122 2.919 3.325 . 0 0 "[ . 1 . ]" 1
921 2 52 CYS H 2 52 CYS HB3 2.800 . 2.800 2.861 2.799 2.945 0.145 12 0 "[ . 1 . ]" 1
922 2 52 CYS H 2 52 CYS HB2 2.800 . 2.800 2.309 2.172 2.373 . 0 0 "[ . 1 . ]" 1
923 2 50 ASN HA 2 53 ALA H 5.000 . 5.000 4.860 4.768 4.985 . 0 0 "[ . 1 . ]" 1
924 2 50 ASN H 2 53 ALA H 5.000 . 5.000 4.837 4.697 5.066 0.066 14 0 "[ . 1 . ]" 1
925 2 51 ARG HA 2 53 ALA H 5.000 . 5.000 4.946 4.849 5.016 0.016 4 0 "[ . 1 . ]" 1
926 2 52 CYS H 2 53 ALA HA 5.000 . 5.000 5.104 5.040 5.156 0.156 10 0 "[ . 1 . ]" 1
927 2 52 CYS HA 2 53 ALA H 3.400 . 3.400 3.518 3.509 3.530 0.130 4 0 "[ . 1 . ]" 1
928 2 52 CYS HB3 2 53 ALA H 3.400 . 3.400 2.253 2.134 2.453 . 0 0 "[ . 1 . ]" 1
929 2 52 CYS HB2 2 53 ALA H 3.400 . 3.400 3.329 3.154 3.414 0.014 15 0 "[ . 1 . ]" 1
930 2 52 CYS H 2 53 ALA H 2.800 . 2.800 2.531 2.426 2.604 . 0 0 "[ . 1 . ]" 1
931 2 53 ALA H 2 53 ALA HA 2.800 . 2.800 2.728 2.711 2.746 . 0 0 "[ . 1 . ]" 1
932 2 53 ALA H 2 53 ALA MB 2.800 . 2.800 2.237 2.217 2.255 . 0 0 "[ . 1 . ]" 1
933 2 51 ARG H 2 54 GLN H 5.000 . 5.000 4.932 4.881 4.999 . 0 0 "[ . 1 . ]" 1
934 2 52 CYS HA 2 54 GLN H 5.000 . 5.000 4.124 4.045 4.169 . 0 0 "[ . 1 . ]" 1
935 2 52 CYS H 2 54 GLN H 5.000 . 5.000 3.717 3.647 3.805 . 0 0 "[ . 1 . ]" 1
936 2 53 ALA H 2 54 GLN H 2.800 . 2.800 2.815 2.778 2.840 0.040 12 0 "[ . 1 . ]" 1
937 2 54 GLN H 2 54 GLN HA 2.800 . 2.800 2.825 2.814 2.836 0.036 7 0 "[ . 1 . ]" 1
938 2 54 GLN H 2 54 GLN HG2 3.400 . 3.400 3.127 3.023 3.191 . 0 0 "[ . 1 . ]" 1
939 2 51 ARG HA 2 55 GLN H 5.000 . 5.000 4.034 3.922 4.172 . 0 0 "[ . 1 . ]" 1
940 2 52 CYS HA 2 55 GLN H 3.400 . 3.400 3.120 2.993 3.200 . 0 0 "[ . 1 . ]" 1
941 2 52 CYS HB3 2 55 GLN H 5.000 . 5.000 5.164 5.123 5.205 0.205 5 0 "[ . 1 . ]" 1
942 2 53 ALA H 2 55 GLN H 5.000 . 5.000 4.241 4.209 4.282 . 0 0 "[ . 1 . ]" 1
943 2 54 GLN HB2 2 55 GLN H 3.400 . 3.400 2.419 2.354 2.502 . 0 0 "[ . 1 . ]" 1
944 2 54 GLN HG2 2 55 GLN H 5.000 . 5.000 4.734 4.691 4.759 . 0 0 "[ . 1 . ]" 1
945 2 54 GLN H 2 55 GLN H 3.400 . 3.400 2.562 2.521 2.613 . 0 0 "[ . 1 . ]" 1
946 2 55 GLN H 2 55 GLN HA 2.800 . 2.800 2.802 2.788 2.809 0.009 8 0 "[ . 1 . ]" 1
947 2 55 GLN H 2 55 GLN HB3 3.400 . 3.400 3.540 3.491 3.596 0.196 5 0 "[ . 1 . ]" 1
948 2 55 GLN H 2 55 GLN HG2 2.800 . 2.800 2.861 2.564 2.917 0.117 14 0 "[ . 1 . ]" 1
949 2 52 CYS HA 2 56 LEU H 3.400 . 3.400 3.625 3.600 3.648 0.248 4 0 "[ . 1 . ]" 1
950 2 55 GLN H 2 56 LEU HB3 5.000 . 5.000 5.096 5.053 5.125 0.125 4 0 "[ . 1 . ]" 1
951 2 55 GLN H 2 56 LEU HB2 5.000 . 5.000 4.763 4.694 4.837 . 0 0 "[ . 1 . ]" 1
952 2 56 LEU H 2 56 LEU HA 2.800 . 2.800 2.796 2.780 2.814 0.014 7 0 "[ . 1 . ]" 1
953 2 56 LEU H 2 56 LEU HB3 2.800 . 2.800 2.721 2.702 2.756 . 0 0 "[ . 1 . ]" 1
954 2 56 LEU H 2 56 LEU HB2 2.800 . 2.800 2.174 2.143 2.213 . 0 0 "[ . 1 . ]" 1
955 2 55 GLN H 2 57 ALA H 5.000 . 5.000 4.580 4.534 4.615 . 0 0 "[ . 1 . ]" 1
956 2 56 LEU HA 2 57 ALA H 3.400 . 3.400 3.495 3.483 3.517 0.117 7 0 "[ . 1 . ]" 1
957 2 56 LEU HB3 2 57 ALA H 3.400 . 3.400 1.911 1.872 1.978 . 0 0 "[ . 1 . ]" 1
958 2 56 LEU H 2 57 ALA H 2.800 . 2.800 2.885 2.834 2.916 0.116 3 0 "[ . 1 . ]" 1
959 2 57 ALA H 2 57 ALA MB 2.800 . 2.800 2.249 2.205 2.280 . 0 0 "[ . 1 . ]" 1
960 2 57 ALA MB 2 58 GLY H 3.400 . 3.400 2.807 2.711 2.859 . 0 0 "[ . 1 . ]" 1
961 2 57 ALA H 2 58 GLY H 2.800 . 2.800 2.838 2.807 2.872 0.072 15 0 "[ . 1 . ]" 1
962 2 58 GLY H 2 58 GLY HA3 2.800 . 2.800 2.878 2.858 2.898 0.098 14 0 "[ . 1 . ]" 1
963 2 58 GLY H 2 58 GLY HA2 2.800 . 2.800 2.313 2.296 2.333 . 0 0 "[ . 1 . ]" 1
964 2 58 GLY H 2 59 LYS HA 5.000 . 5.000 5.016 4.935 5.066 0.066 10 0 "[ . 1 . ]" 1
965 2 58 GLY HA3 2 59 LYS H 3.200 . 3.200 3.296 3.122 3.389 0.189 1 0 "[ . 1 . ]" 1
966 2 58 GLY H 2 59 LYS H 2.800 . 2.800 2.523 2.400 2.778 . 0 0 "[ . 1 . ]" 1
967 2 59 LYS H 2 59 LYS HA 2.800 . 2.800 2.896 2.810 2.922 0.122 15 0 "[ . 1 . ]" 1
968 2 59 LYS H 2 59 LYS HB3 2.800 . 2.800 2.724 2.563 3.022 0.222 4 0 "[ . 1 . ]" 1
969 2 59 LYS H 2 59 LYS HB2 2.800 . 2.800 2.541 2.029 2.763 . 0 0 "[ . 1 . ]" 1
970 2 58 GLY HA3 2 60 GLN H 5.000 . 5.000 3.573 3.311 3.791 . 0 0 "[ . 1 . ]" 1
971 2 58 GLY H 2 60 GLN H 5.000 . 5.000 4.765 4.216 5.086 0.086 16 0 "[ . 1 . ]" 1
972 2 59 LYS H 2 60 GLN H 3.400 . 3.400 2.875 2.479 3.270 . 0 0 "[ . 1 . ]" 1
973 2 60 GLN H 2 60 GLN HA 2.800 . 2.800 2.804 2.766 2.850 0.050 4 0 "[ . 1 . ]" 1
974 2 60 GLN H 2 60 GLN HB3 3.400 . 3.400 3.531 3.464 3.565 0.165 4 0 "[ . 1 . ]" 1
975 2 60 GLN H 2 60 GLN HB2 3.400 . 3.400 2.522 2.150 3.074 . 0 0 "[ . 1 . ]" 1
976 2 60 GLN H 2 60 GLN HG3 2.800 . 2.800 2.382 2.041 2.820 0.020 8 0 "[ . 1 . ]" 1
977 2 60 GLN HB2 2 61 SER H 3.400 . 3.400 2.574 1.780 3.590 0.190 7 0 "[ . 1 . ]" 1
978 2 60 GLN HG2 2 61 SER H 5.000 . 5.000 4.443 3.366 5.092 0.092 12 0 "[ . 1 . ]" 1
979 2 61 SER H 2 61 SER HB2 3.400 2.400 3.400 3.091 2.787 3.478 0.078 7 0 "[ . 1 . ]" 1
980 2 61 SER HA 2 62 LEU H 3.400 . 3.400 3.091 2.624 3.529 0.129 2 0 "[ . 1 . ]" 1
981 2 61 SER HB2 2 62 LEU H 5.000 . 5.000 3.774 1.972 4.549 . 0 0 "[ . 1 . ]" 1
982 2 61 SER H 2 62 LEU H 3.400 . 3.400 2.601 2.295 3.447 0.047 16 0 "[ . 1 . ]" 1
983 2 62 LEU H 2 62 LEU HB2 2.800 . 2.800 2.569 2.317 2.814 0.014 14 0 "[ . 1 . ]" 1
984 2 2 LYS HA 2 3 PRO HD3 3.400 . 3.400 1.918 1.823 2.140 . 0 0 "[ . 1 . ]" 1
985 2 2 LYS HA 2 3 PRO HD2 3.400 . 3.400 2.696 2.514 2.990 . 0 0 "[ . 1 . ]" 1
986 2 6 LEU HA 2 6 LEU HB3 . . 2.800 2.217 2.210 2.223 . 0 0 "[ . 1 . ]" 1
987 2 6 LEU HA 2 6 LEU HB2 . . 2.800 2.779 2.753 2.822 0.022 5 0 "[ . 1 . ]" 1
988 2 7 TYR HA 2 7 TYR QD 3.400 . 3.400 2.928 2.477 3.043 . 0 0 "[ . 1 . ]" 1
989 2 4 VAL HA 2 8 ASP HB2 5.000 . 5.000 3.621 3.318 3.873 . 0 0 "[ . 1 . ]" 1
990 2 4 VAL HB 2 8 ASP HB2 5.000 . 5.000 5.024 4.925 5.088 0.088 6 0 "[ . 1 . ]" 1
991 2 9 VAL HA 2 41 ALA MB 5.000 . 5.000 2.158 2.092 2.322 . 0 0 "[ . 1 . ]" 1
992 2 7 TYR HA 2 10 ALA MB 5.000 . 5.000 2.507 2.422 2.627 . 0 0 "[ . 1 . ]" 1
993 2 8 ASP HA 2 11 GLU HB3 3.400 . 3.400 3.580 3.495 3.674 0.274 11 0 "[ . 1 . ]" 1
994 2 8 ASP HA 2 11 GLU HG3 5.000 . 5.000 4.145 3.791 4.871 . 0 0 "[ . 1 . ]" 1
995 2 8 ASP HA 2 11 GLU HG2 5.000 . 5.000 4.824 4.467 5.145 0.145 15 0 "[ . 1 . ]" 1
996 2 11 GLU HA 2 11 GLU HG3 3.400 . 3.400 3.417 2.202 3.576 0.176 1 0 "[ . 1 . ]" 1
997 2 11 GLU HA 2 11 GLU HG2 2.800 . 2.800 2.432 2.132 2.843 0.043 2 0 "[ . 1 . ]" 1
998 2 9 VAL HA 2 12 TYR HB2 5.000 . 5.000 2.164 2.056 2.296 . 0 0 "[ . 1 . ]" 1
999 2 12 TYR HA 2 12 TYR HB3 2.800 . 2.800 2.917 2.907 2.930 0.130 5 0 "[ . 1 . ]" 1
1000 2 12 TYR HB2 2 13 ALA HA 5.000 . 5.000 5.160 5.139 5.197 0.197 14 0 "[ . 1 . ]" 1
1001 2 12 TYR HB3 2 13 ALA MB 5.000 . 5.000 3.383 3.338 3.422 . 0 0 "[ . 1 . ]" 1
1002 2 12 TYR HB2 2 13 ALA MB 5.000 . 5.000 4.472 4.434 4.520 . 0 0 "[ . 1 . ]" 1
1003 2 12 TYR QD 2 13 ALA MB 5.000 2.800 5.000 4.319 4.286 4.409 . 0 0 "[ . 1 . ]" 1
1004 2 10 ALA MB 2 16 SER HA 5.000 . 5.000 2.782 2.521 2.938 . 0 0 "[ . 1 . ]" 1
1005 2 10 ALA MB 2 17 VAL HA 5.000 . 5.000 2.488 2.359 2.714 . 0 0 "[ . 1 . ]" 1
1006 2 17 VAL HA 2 18 ALA MB 5.000 . 5.000 4.910 4.895 4.922 . 0 0 "[ . 1 . ]" 1
1007 2 15 VAL HB 2 19 THR HA 5.000 . 5.000 4.802 4.760 4.878 . 0 0 "[ . 1 . ]" 1
1008 2 18 ALA MB 2 19 THR HA 5.000 . 5.000 3.864 3.827 3.941 . 0 0 "[ . 1 . ]" 1
1009 2 20 VAL HA 2 23 VAL HB 5.000 . 5.000 2.936 2.785 3.122 . 0 0 "[ . 1 . ]" 1
1010 2 21 SER HA 2 24 VAL HB 5.000 . 5.000 1.959 1.837 2.063 . 0 0 "[ . 1 . ]" 1
1011 2 24 VAL HB 2 25 ASN HA 5.000 . 5.000 4.819 4.622 4.955 . 0 0 "[ . 1 . ]" 1
1012 2 25 ASN HA 2 26 GLN HB2 5.000 . 5.000 4.670 4.012 5.085 0.085 14 0 "[ . 1 . ]" 1
1013 2 26 GLN HA 2 26 GLN HB2 2.800 . 2.800 2.941 2.902 2.966 0.166 13 0 "[ . 1 . ]" 1
1014 2 26 GLN HA 2 26 GLN HG2 3.400 . 3.400 3.576 3.505 3.617 0.217 7 0 "[ . 1 . ]" 1
1015 2 22 ARG HA 2 27 ALA HA 3.700 2.100 3.700 3.784 3.651 4.048 0.348 16 0 "[ . 1 . ]" 1
1016 2 27 ALA MB 2 28 SER HB2 5.000 . 5.000 4.721 4.428 5.147 0.147 14 0 "[ . 1 . ]" 1
1017 2 28 SER HA 2 28 SER HB2 2.800 . 2.800 2.971 2.875 3.005 0.205 10 0 "[ . 1 . ]" 1
1018 2 28 SER HB2 2 29 HIS HA 5.000 . 5.000 4.547 4.161 4.964 . 0 0 "[ . 1 . ]" 1
1019 2 31 SER HA 2 32 ALA MB 5.000 . 5.000 4.115 4.089 4.153 . 0 0 "[ . 1 . ]" 1
1020 2 33 LYS HA 2 33 LYS HB3 2.800 . 2.800 2.879 2.780 2.990 0.190 10 0 "[ . 1 . ]" 1
1021 2 33 LYS HA 2 33 LYS HB2 2.800 . 2.800 2.745 2.507 2.880 0.080 2 0 "[ . 1 . ]" 1
1022 2 33 LYS HA 2 33 LYS HD3 4.000 2.400 4.000 3.015 2.310 3.837 0.090 6 0 "[ . 1 . ]" 1
1023 2 33 LYS HA 2 33 LYS HE3 5.000 . 5.000 3.484 1.962 4.571 . 0 0 "[ . 1 . ]" 1
1024 2 33 LYS HD3 2 33 LYS HE3 2.800 . 2.800 2.669 2.407 2.984 0.184 12 0 "[ . 1 . ]" 1
1025 2 33 LYS HA 2 33 LYS HG3 3.400 . 3.400 3.182 2.564 3.532 0.132 7 0 "[ . 1 . ]" 1
1026 2 33 LYS HE3 2 34 THR HB 5.000 . 5.000 4.415 4.139 4.913 . 0 0 "[ . 1 . ]" 1
1027 2 32 ALA HA 2 35 ARG HB3 3.400 . 3.400 2.577 2.263 2.676 . 0 0 "[ . 1 . ]" 1
1028 2 32 ALA HA 2 35 ARG HB2 3.400 . 3.400 3.329 2.807 3.472 0.072 11 0 "[ . 1 . ]" 1
1029 2 32 ALA HA 2 35 ARG HD2 5.000 . 5.000 3.815 2.913 4.153 . 0 0 "[ . 1 . ]" 1
1030 2 39 GLU HA 2 42 MET HA 5.000 . 5.000 5.045 5.002 5.088 0.088 8 0 "[ . 1 . ]" 1
1031 2 35 ARG HA 2 35 ARG HD2 5.000 . 5.000 4.527 4.325 4.665 . 0 0 "[ . 1 . ]" 1
1032 2 35 ARG HB3 2 35 ARG HD2 3.400 . 3.400 2.335 2.165 2.420 . 0 0 "[ . 1 . ]" 1
1033 2 35 ARG HD3 2 35 ARG HG3 2.800 . 2.800 2.983 2.973 2.988 0.188 4 0 "[ . 1 . ]" 1
1034 2 35 ARG HD2 2 35 ARG HG2 2.800 . 2.800 2.982 2.970 2.985 0.185 6 0 "[ . 1 . ]" 1
1035 2 35 ARG HG2 2 36 GLU HA 5.000 . 5.000 4.446 4.165 4.775 . 0 0 "[ . 1 . ]" 1
1036 2 35 ARG HD3 2 36 GLU HB2 5.000 . 5.000 4.370 3.953 5.006 0.006 5 0 "[ . 1 . ]" 1
1037 2 35 ARG HD2 2 36 GLU HB2 5.000 . 5.000 5.077 5.053 5.127 0.127 4 0 "[ . 1 . ]" 1
1038 2 35 ARG HD3 2 36 GLU HG3 5.000 . 5.000 2.673 2.184 3.336 . 0 0 "[ . 1 . ]" 1
1039 2 35 ARG HG2 2 36 GLU HG3 5.000 . 5.000 4.846 4.413 5.031 0.031 16 0 "[ . 1 . ]" 1
1040 2 36 GLU HA 2 36 GLU HB2 2.800 . 2.800 2.985 2.978 2.992 0.192 13 0 "[ . 1 . ]" 1
1041 2 36 GLU HA 2 36 GLU HG3 3.400 . 3.400 2.828 2.531 3.090 . 0 0 "[ . 1 . ]" 1
1042 2 36 GLU HB3 2 36 GLU HG3 2.800 . 2.800 2.967 2.929 2.984 0.184 2 0 "[ . 1 . ]" 1
1043 2 36 GLU HB2 2 36 GLU HG2 2.800 . 2.800 2.953 2.918 2.974 0.174 2 0 "[ . 1 . ]" 1
1044 2 13 ALA MB 2 37 LYS HB3 5.000 . 5.000 3.452 3.391 3.501 . 0 0 "[ . 1 . ]" 1
1045 2 13 ALA MB 2 37 LYS HB2 5.000 . 5.000 4.324 4.290 4.360 . 0 0 "[ . 1 . ]" 1
1046 2 34 THR HB 2 37 LYS HB3 5.000 . 5.000 4.516 4.480 4.549 . 0 0 "[ . 1 . ]" 1
1047 2 34 THR HB 2 37 LYS HB2 5.000 . 5.000 5.191 5.091 5.219 0.219 12 0 "[ . 1 . ]" 1
1048 2 34 THR HB 2 37 LYS HD2 5.000 . 5.000 5.016 4.880 5.085 0.085 16 0 "[ . 1 . ]" 1
1049 2 37 LYS HA 2 37 LYS HB2 2.800 . 2.800 2.466 2.453 2.479 . 0 0 "[ . 1 . ]" 1
1050 2 37 LYS HA 2 37 LYS HD2 5.000 . 5.000 4.560 4.515 4.596 . 0 0 "[ . 1 . ]" 1
1051 2 37 LYS HA 2 37 LYS HG2 2.800 . 2.800 2.812 2.752 2.843 0.043 10 0 "[ . 1 . ]" 1
1052 2 13 ALA MB 2 38 VAL HA 5.000 . 5.000 2.025 1.918 2.097 . 0 0 "[ . 1 . ]" 1
1053 2 35 ARG HG2 2 39 GLU HG3 5.000 . 5.000 2.712 2.304 3.440 . 0 0 "[ . 1 . ]" 1
1054 2 35 ARG HG2 2 39 GLU HG2 5.000 . 5.000 3.940 3.527 4.674 . 0 0 "[ . 1 . ]" 1
1055 2 39 GLU HA 2 39 GLU HG2 2.800 . 2.800 2.233 2.207 2.269 . 0 0 "[ . 1 . ]" 1
1056 2 12 TYR QD 2 41 ALA HA 5.000 . 5.000 1.869 1.810 2.034 . 0 0 "[ . 1 . ]" 1
1057 2 12 TYR QE 2 41 ALA HA 5.000 . 5.000 2.806 2.685 2.986 . 0 0 "[ . 1 . ]" 1
1058 2 12 TYR HB3 2 41 ALA MB 5.000 . 5.000 1.914 1.878 1.970 . 0 0 "[ . 1 . ]" 1
1059 2 12 TYR HB2 2 41 ALA MB 5.000 . 5.000 2.776 2.713 2.936 . 0 0 "[ . 1 . ]" 1
1060 2 12 TYR QD 2 41 ALA MB 5.000 . 5.000 2.130 2.041 2.252 . 0 0 "[ . 1 . ]" 1
1061 2 12 TYR QE 2 41 ALA MB 5.000 . 5.000 3.929 3.846 4.015 . 0 0 "[ . 1 . ]" 1
1062 2 13 ALA HA 2 41 ALA MB 5.000 . 5.000 3.132 3.018 3.281 . 0 0 "[ . 1 . ]" 1
1063 2 13 ALA MB 2 41 ALA MB 5.000 . 5.000 2.352 2.258 2.414 . 0 0 "[ . 1 . ]" 1
1064 2 38 VAL HA 2 41 ALA MB 5.000 . 5.000 2.298 2.200 2.389 . 0 0 "[ . 1 . ]" 1
1065 2 12 TYR QD 2 44 GLU HG3 5.000 . 5.000 3.717 3.407 3.859 . 0 0 "[ . 1 . ]" 1
1066 2 12 TYR QE 2 44 GLU HG3 5.000 . 5.000 2.211 1.911 2.580 . 0 0 "[ . 1 . ]" 1
1067 2 41 ALA HA 2 44 GLU HB3 5.000 . 5.000 4.952 4.894 5.026 0.026 7 0 "[ . 1 . ]" 1
1068 2 41 ALA HA 2 44 GLU HB2 5.000 . 5.000 3.440 3.357 3.607 . 0 0 "[ . 1 . ]" 1
1069 2 41 ALA HA 2 44 GLU HG3 5.000 . 5.000 2.796 2.654 2.925 . 0 0 "[ . 1 . ]" 1
1070 2 44 GLU HA 2 44 GLU HB3 2.800 . 2.800 2.386 2.359 2.397 . 0 0 "[ . 1 . ]" 1
1071 2 44 GLU HA 2 44 GLU HB2 2.800 . 2.800 2.974 2.965 2.981 0.181 14 0 "[ . 1 . ]" 1
1072 2 44 GLU HA 2 44 GLU HG3 3.400 . 3.400 3.562 3.472 3.640 0.240 7 0 "[ . 1 . ]" 1
1073 2 44 GLU HB2 2 44 GLU HG3 2.800 . 2.800 2.188 2.163 2.246 . 0 0 "[ . 1 . ]" 1
1074 2 4 VAL HA 2 45 LEU HB2 5.000 . 5.000 4.907 4.193 5.082 0.082 6 0 "[ . 1 . ]" 1
1075 2 40 ALA MB 2 44 GLU HG3 5.000 . 5.000 3.674 3.521 3.843 . 0 0 "[ . 1 . ]" 1
1076 2 46 ASN HA 2 46 ASN HB3 2.800 . 2.800 2.989 2.972 2.995 0.195 8 0 "[ . 1 . ]" 1
1077 2 46 ASN HA 2 46 ASN HB2 2.800 . 2.800 2.450 2.415 2.534 . 0 0 "[ . 1 . ]" 1
1078 2 5 THR HA 2 47 TYR QD 3.400 . 3.400 2.883 2.587 3.372 . 0 0 "[ . 1 . ]" 1
1079 2 47 TYR HA 2 47 TYR QD 3.400 . 3.400 2.219 1.863 2.416 . 0 0 "[ . 1 . ]" 1
1080 2 48 ILE HA 2 49 PRO HD3 3.400 . 3.400 2.150 1.900 2.529 . 0 0 "[ . 1 . ]" 1
1081 2 48 ILE HA 2 49 PRO HD2 3.400 . 3.400 2.279 2.056 2.446 . 0 0 "[ . 1 . ]" 1
1082 2 49 PRO HG2 2 50 ASN HA 5.000 . 5.000 5.028 4.947 5.072 0.072 14 0 "[ . 1 . ]" 1
1083 2 49 PRO HG2 2 51 ARG HD2 5.000 . 5.000 4.831 4.395 5.041 0.041 5 0 "[ . 1 . ]" 1
1084 2 51 ARG HA 2 51 ARG HB3 2.800 . 2.800 2.912 2.823 2.969 0.169 13 0 "[ . 1 . ]" 1
1085 2 51 ARG HA 2 51 ARG HD3 5.000 . 5.000 3.637 3.287 4.028 . 0 0 "[ . 1 . ]" 1
1086 2 51 ARG HA 2 51 ARG HD2 3.400 . 3.400 2.301 1.904 3.184 . 0 0 "[ . 1 . ]" 1
1087 2 51 ARG HB2 2 51 ARG HD2 2.800 . 2.800 2.489 2.178 2.810 0.010 14 0 "[ . 1 . ]" 1
1088 2 51 ARG HA 2 51 ARG HG3 3.400 . 3.400 2.578 2.272 2.861 . 0 0 "[ . 1 . ]" 1
1089 2 51 ARG HB3 2 51 ARG HG3 2.800 . 2.800 2.491 2.420 2.560 . 0 0 "[ . 1 . ]" 1
1090 2 51 ARG HD3 2 51 ARG HG3 2.800 . 2.800 2.875 2.689 2.980 0.180 14 0 "[ . 1 . ]" 1
1091 2 51 ARG HD2 2 51 ARG HG2 2.800 . 2.800 2.871 2.680 2.977 0.177 14 0 "[ . 1 . ]" 1
1092 2 51 ARG HG3 2 55 GLN HG3 5.000 . 5.000 4.492 3.835 5.100 0.100 10 0 "[ . 1 . ]" 1
1093 2 52 CYS HA 2 55 GLN HB3 5.000 . 5.000 3.842 3.536 4.109 . 0 0 "[ . 1 . ]" 1
1094 2 52 CYS HA 2 55 GLN HB2 5.000 . 5.000 2.233 2.004 2.445 . 0 0 "[ . 1 . ]" 1
1095 2 52 CYS HA 2 55 GLN HG3 5.000 . 5.000 4.100 3.682 4.231 . 0 0 "[ . 1 . ]" 1
1096 2 55 GLN HA 2 55 GLN HB3 2.800 . 2.800 2.599 2.496 2.670 . 0 0 "[ . 1 . ]" 1
1097 2 55 GLN HA 2 55 GLN HG3 3.400 . 3.400 3.416 3.357 3.563 0.163 7 0 "[ . 1 . ]" 1
1098 2 55 GLN HB3 2 55 GLN HG3 2.800 . 2.800 2.241 2.218 2.349 . 0 0 "[ . 1 . ]" 1
1099 2 55 GLN HB2 2 55 GLN HG3 2.800 . 2.800 2.683 2.481 2.733 . 0 0 "[ . 1 . ]" 1
1100 2 55 GLN HA 2 55 GLN HG2 3.400 . 3.400 3.340 2.899 3.443 0.043 15 0 "[ . 1 . ]" 1
1101 2 53 ALA HA 2 56 LEU HB3 5.000 . 5.000 2.981 2.919 3.022 . 0 0 "[ . 1 . ]" 1
1102 2 53 ALA HA 2 56 LEU HB2 5.000 . 5.000 3.442 3.362 3.484 . 0 0 "[ . 1 . ]" 1
1103 2 54 GLN HA 2 57 ALA MB 5.000 . 5.000 3.019 2.832 3.164 . 0 0 "[ . 1 . ]" 1
1104 2 56 LEU HG 2 57 ALA HA 5.000 . 5.000 4.130 4.092 4.198 . 0 0 "[ . 1 . ]" 1
1105 2 59 LYS HA 2 59 LYS HB3 2.800 . 2.800 2.975 2.901 2.995 0.195 16 0 "[ . 1 . ]" 1
1106 2 59 LYS HA 2 59 LYS HB2 2.800 . 2.800 2.583 2.507 2.758 . 0 0 "[ . 1 . ]" 1
1107 2 59 LYS HA 2 59 LYS HD2 5.000 . 5.000 4.594 2.134 4.843 . 0 0 "[ . 1 . ]" 1
1108 2 59 LYS HB3 2 59 LYS HE3 2.800 . 2.800 2.131 1.973 2.834 0.034 4 0 "[ . 1 . ]" 1
1109 2 59 LYS HD3 2 59 LYS HE3 2.800 . 2.800 2.469 2.385 2.809 0.009 4 0 "[ . 1 . ]" 1
1110 2 59 LYS HA 2 59 LYS HG2 2.800 . 2.800 2.555 2.362 2.731 . 0 0 "[ . 1 . ]" 1
1111 2 59 LYS HD2 2 59 LYS HG2 2.800 . 2.800 2.555 2.516 2.694 . 0 0 "[ . 1 . ]" 1
1112 2 59 LYS HE3 2 59 LYS HG2 2.800 . 2.800 2.876 2.652 3.252 0.452 4 0 "[ . 1 . ]" 1
1113 2 60 GLN HA 2 60 GLN HB3 2.800 . 2.800 2.443 2.224 2.667 . 0 0 "[ . 1 . ]" 1
1114 2 60 GLN HA 2 60 GLN HB2 2.800 . 2.800 2.965 2.909 2.986 0.186 11 0 "[ . 1 . ]" 1
1115 2 60 GLN HA 2 60 GLN HG3 2.800 . 2.800 2.755 2.519 2.924 0.124 15 0 "[ . 1 . ]" 1
1116 2 60 GLN HB3 2 60 GLN HG3 2.800 . 2.800 2.856 2.604 2.982 0.182 1 0 "[ . 1 . ]" 1
1117 2 60 GLN HB2 2 60 GLN HG2 2.800 . 2.800 2.850 2.595 2.973 0.173 1 0 "[ . 1 . ]" 1
1118 2 61 SER HA 2 61 SER HB2 2.800 . 2.800 2.899 2.471 3.004 0.204 6 0 "[ . 1 . ]" 1
1119 2 62 LEU HA 2 62 LEU HB2 2.800 . 2.800 2.762 2.430 2.998 0.198 7 0 "[ . 1 . ]" 1
1120 2 7 TYR HA 2 7 TYR QE 5.000 . 5.000 4.610 4.526 4.698 . 0 0 "[ . 1 . ]" 1
1121 2 7 TYR HB2 2 7 TYR QE 5.000 . 5.000 4.397 4.368 4.413 . 0 0 "[ . 1 . ]" 1
1122 2 6 LEU HA 2 8 ASP H 5.000 . 5.000 4.093 3.993 4.133 . 0 0 "[ . 1 . ]" 1
1123 2 6 LEU HA 2 9 VAL H 3.400 . 3.400 3.403 3.360 3.476 0.076 5 0 "[ . 1 . ]" 1
1124 2 22 ARG HA 2 22 ARG HE 5.000 . 5.000 4.211 2.965 4.855 . 0 0 "[ . 1 . ]" 1
1125 2 22 ARG HB2 2 22 ARG HE 5.000 . 5.000 4.566 4.272 4.741 . 0 0 "[ . 1 . ]" 1
1126 2 22 ARG HE 2 22 ARG HG2 3.400 . 3.400 2.633 2.365 3.085 . 0 0 "[ . 1 . ]" 1
1127 2 24 VAL H 2 24 VAL HB 2.800 . 2.800 2.154 2.079 2.239 . 0 0 "[ . 1 . ]" 1
1128 2 34 THR HB 2 35 ARG H 5.000 . 5.000 2.538 2.433 3.433 . 0 0 "[ . 1 . ]" 1
1129 2 35 ARG H 2 35 ARG HB3 2.800 . 2.800 2.457 2.366 2.589 . 0 0 "[ . 1 . ]" 1
1130 2 35 ARG H 2 35 ARG HB2 2.800 . 2.800 2.611 2.430 2.922 0.122 13 0 "[ . 1 . ]" 1
1131 2 35 ARG H 2 35 ARG HD3 5.000 . 5.000 4.553 4.264 4.960 . 0 0 "[ . 1 . ]" 1
1132 2 35 ARG H 2 35 ARG HG3 5.000 . 5.000 4.621 4.546 4.771 . 0 0 "[ . 1 . ]" 1
1133 2 35 ARG H 2 36 GLU HB2 5.000 . 5.000 4.862 3.993 5.037 0.037 5 0 "[ . 1 . ]" 1
1134 2 35 ARG H 2 37 LYS HB3 5.000 . 5.000 4.601 4.173 4.671 . 0 0 "[ . 1 . ]" 1
1135 2 39 GLU H 2 39 GLU HB3 3.200 . 3.200 3.483 3.468 3.493 0.293 4 0 "[ . 1 . ]" 1
1136 2 13 ALA MB 2 42 MET H 5.000 . 5.000 4.880 4.767 5.008 0.008 14 0 "[ . 1 . ]" 1
1137 2 42 MET H 2 42 MET ME 5.000 3.400 5.000 4.454 4.262 4.530 . 0 0 "[ . 1 . ]" 1
1138 2 42 MET H 2 42 MET HB3 3.400 . 3.400 3.551 3.537 3.561 0.161 14 0 "[ . 1 . ]" 1
1139 2 42 MET H 2 42 MET HB2 2.800 . 2.800 2.420 2.384 2.486 . 0 0 "[ . 1 . ]" 1
1140 2 45 LEU H 2 45 LEU HB2 3.400 . 3.400 2.826 2.626 3.510 0.110 15 0 "[ . 1 . ]" 1
1141 2 5 THR HA 2 47 TYR HH 5.000 . 5.000 3.972 3.172 4.476 . 0 0 "[ . 1 . ]" 1
1142 2 6 LEU HA 2 47 TYR HH 5.000 . 5.000 3.931 3.689 4.321 . 0 0 "[ . 1 . ]" 1
1143 2 6 LEU H 2 47 TYR HH 5.000 . 5.000 3.222 2.786 3.780 . 0 0 "[ . 1 . ]" 1
1144 2 6 LEU HB2 2 47 TYR HH 5.000 . 5.000 4.538 4.279 4.938 . 0 0 "[ . 1 . ]" 1
1145 2 46 ASN HB2 2 47 TYR H 5.000 . 5.000 4.532 4.486 4.558 . 0 0 "[ . 1 . ]" 1
1146 2 47 TYR H 2 47 TYR QD 5.000 . 5.000 4.173 4.141 4.200 . 0 0 "[ . 1 . ]" 1
1147 2 47 TYR HH 2 50 ASN H 5.000 . 5.000 4.694 4.171 4.901 . 0 0 "[ . 1 . ]" 1
1148 2 51 ARG HG3 2 52 CYS H 5.000 . 5.000 4.761 4.498 5.046 0.046 7 0 "[ . 1 . ]" 1
1149 2 53 ALA MB 2 54 GLN H 3.400 . 3.400 2.583 2.539 2.627 . 0 0 "[ . 1 . ]" 1
1150 2 54 GLN H 2 54 GLN HB3 3.400 . 3.400 3.529 3.505 3.541 0.141 6 0 "[ . 1 . ]" 1
1151 2 54 GLN H 2 54 GLN HB2 2.800 . 2.800 2.397 2.304 2.458 . 0 0 "[ . 1 . ]" 1
1152 2 54 GLN H 2 54 GLN HG3 2.800 . 2.800 2.349 2.263 2.457 . 0 0 "[ . 1 . ]" 1
1153 2 4 VAL HA 2 5 THR H 2.800 . 2.800 2.277 2.174 2.345 . 0 0 "[ . 1 . ]" 1
1154 2 5 THR H 2 6 LEU H 5.000 . 5.000 4.359 4.289 4.385 . 0 0 "[ . 1 . ]" 1
1155 2 7 TYR H 2 7 TYR QD 3.400 . 3.400 2.444 2.281 2.986 . 0 0 "[ . 1 . ]" 1
1156 2 7 TYR HB3 2 8 ASP H 5.000 . 5.000 3.447 3.324 3.788 . 0 0 "[ . 1 . ]" 1
1157 2 12 TYR HB3 2 12 TYR QD 3.400 . 3.400 2.236 2.207 2.251 . 0 0 "[ . 1 . ]" 1
1158 2 12 TYR HB2 2 12 TYR QD 3.400 . 3.400 2.633 2.582 2.680 . 0 0 "[ . 1 . ]" 1
1159 2 12 TYR HA 2 12 TYR QE 6.000 2.800 6.000 4.348 4.266 4.386 . 0 0 "[ . 1 . ]" 1
1160 2 15 VAL HA 2 16 SER H 3.400 . 3.400 2.762 2.615 2.830 . 0 0 "[ . 1 . ]" 1
1161 2 28 SER HB2 2 29 HIS HD2 5.000 . 5.000 4.223 3.298 4.839 . 0 0 "[ . 1 . ]" 1
1162 2 29 HIS HA 2 29 HIS HD2 5.000 . 5.000 2.519 2.081 4.716 . 0 0 "[ . 1 . ]" 1
1163 2 35 ARG HB3 2 35 ARG HE 5.000 . 5.000 4.477 4.131 4.622 . 0 0 "[ . 1 . ]" 1
1164 2 37 LYS H 2 37 LYS HB2 3.400 2.400 3.400 2.410 2.382 2.442 0.018 16 0 "[ . 1 . ]" 1
1165 2 39 GLU HA 2 42 MET H 5.000 . 5.000 3.243 3.204 3.322 . 0 0 "[ . 1 . ]" 1
1166 2 41 ALA HA 2 42 MET H 5.000 . 5.000 3.531 3.520 3.551 . 0 0 "[ . 1 . ]" 1
1167 2 41 ALA H 2 42 MET H 3.400 . 3.400 2.620 2.600 2.657 . 0 0 "[ . 1 . ]" 1
1168 2 60 GLN HA 2 61 SER H 3.400 . 3.400 3.165 2.252 3.527 0.127 10 0 "[ . 1 . ]" 1
1169 2 5 THR HA 2 6 LEU HA 5.000 . 5.000 4.258 4.245 4.277 . 0 0 "[ . 1 . ]" 1
1170 2 6 LEU HA 2 9 VAL HB 5.000 . 5.000 5.086 5.048 5.144 0.144 5 0 "[ . 1 . ]" 1
1171 2 8 ASP H 2 9 VAL HB 6.000 2.800 6.000 6.160 6.101 6.201 0.201 16 0 "[ . 1 . ]" 1
1172 2 10 ALA MB 2 20 VAL H 5.000 . 5.000 3.615 3.488 3.713 . 0 0 "[ . 1 . ]" 1
1173 2 18 ALA MB 2 20 VAL H 5.000 . 5.000 4.669 4.535 4.788 . 0 0 "[ . 1 . ]" 1
1174 2 6 LEU HB3 2 47 TYR HH 5.000 . 5.000 3.283 3.041 3.725 . 0 0 "[ . 1 . ]" 1
1175 3 1 DG H1' 3 1 DG H8 3.700 2.100 3.700 3.821 3.810 3.829 0.129 2 0 "[ . 1 . ]" 1
1176 3 1 DG H2' 3 1 DG H8 3.400 . 3.400 2.040 1.993 2.078 . 0 0 "[ . 1 . ]" 1
1177 3 1 DG H2'' 3 1 DG H8 3.400 . 3.400 3.512 3.457 3.555 0.155 2 0 "[ . 1 . ]" 1
1178 3 1 DG H3' 3 1 DG H8 5.000 . 5.000 4.129 4.096 4.155 . 0 0 "[ . 1 . ]" 1
1179 3 1 DG H4' 3 1 DG H8 5.000 . 5.000 4.838 4.793 4.907 . 0 0 "[ . 1 . ]" 1
1180 3 1 DG H5' 3 1 DG H8 5.000 . 5.000 4.021 3.724 4.321 . 0 0 "[ . 1 . ]" 1
1181 3 1 DG H1' 3 2 DA H8 3.400 . 3.400 3.313 3.215 3.443 0.043 16 0 "[ . 1 . ]" 1
1182 3 1 DG H2' 3 2 DA H8 5.000 . 5.000 3.685 3.635 3.758 . 0 0 "[ . 1 . ]" 1
1183 3 1 DG H2'' 3 2 DA H8 2.800 . 2.800 1.996 1.946 2.061 . 0 0 "[ . 1 . ]" 1
1184 3 1 DG H3' 3 2 DA H8 5.000 . 5.000 4.301 4.265 4.354 . 0 0 "[ . 1 . ]" 1
1185 3 2 DA H1' 3 2 DA H8 3.700 2.100 3.700 3.816 3.812 3.819 0.119 12 0 "[ . 1 . ]" 1
1186 3 2 DA H2' 3 2 DA H8 2.800 . 2.800 2.049 2.033 2.069 . 0 0 "[ . 1 . ]" 1
1187 3 2 DA H2'' 3 2 DA H8 3.400 . 3.400 3.540 3.520 3.564 0.164 14 0 "[ . 1 . ]" 1
1188 3 2 DA H3' 3 2 DA H8 4.000 2.400 4.000 4.097 4.078 4.112 0.112 11 0 "[ . 1 . ]" 1
1189 3 2 DA H1' 3 3 DA H8 3.400 . 3.400 2.809 2.744 2.917 . 0 0 "[ . 1 . ]" 1
1190 3 2 DA H2' 3 3 DA H8 3.400 . 3.400 3.465 3.450 3.484 0.084 2 0 "[ . 1 . ]" 1
1191 3 2 DA H2'' 3 3 DA H8 3.400 . 3.400 1.795 1.778 1.806 0.022 1 0 "[ . 1 . ]" 1
1192 3 3 DA H1' 3 3 DA H2' 5.000 . 5.000 3.035 3.032 3.037 . 0 0 "[ . 1 . ]" 1
1193 3 3 DA H2' 3 3 DA H3' 3.400 . 3.400 2.404 2.401 2.408 . 0 0 "[ . 1 . ]" 1
1194 3 3 DA H2'' 3 3 DA H3' 5.000 . 5.000 2.694 2.691 2.697 . 0 0 "[ . 1 . ]" 1
1195 3 3 DA H1' 3 3 DA H8 5.000 . 5.000 3.877 3.868 3.884 . 0 0 "[ . 1 . ]" 1
1196 3 3 DA H2' 3 3 DA H8 3.400 . 3.400 2.254 2.210 2.295 . 0 0 "[ . 1 . ]" 1
1197 3 3 DA H2 3 4 DT H1' 5.000 . 5.000 5.104 5.050 5.156 0.156 10 0 "[ . 1 . ]" 1
1198 3 3 DA H1' 3 4 DT H6 5.000 . 5.000 3.613 3.521 3.750 . 0 0 "[ . 1 . ]" 1
1199 3 3 DA H2' 3 4 DT H6 5.000 . 5.000 3.844 3.701 3.957 . 0 0 "[ . 1 . ]" 1
1200 3 3 DA H2'' 3 4 DT H6 5.000 . 5.000 2.231 2.162 2.320 . 0 0 "[ . 1 . ]" 1
1201 3 3 DA H3' 3 4 DT H6 5.000 . 5.000 4.585 4.522 4.639 . 0 0 "[ . 1 . ]" 1
1202 3 4 DT H1' 3 4 DT H2' 5.000 . 5.000 3.038 3.034 3.043 . 0 0 "[ . 1 . ]" 1
1203 3 4 DT H1' 3 4 DT H2'' 3.400 . 3.400 2.371 2.360 2.380 . 0 0 "[ . 1 . ]" 1
1204 3 6 DG H1' 3 6 DG H2' 5.000 . 5.000 3.035 3.030 3.037 . 0 0 "[ . 1 . ]" 1
1205 3 6 DG H1' 3 6 DG H2'' 3.400 . 3.400 2.365 2.359 2.371 . 0 0 "[ . 1 . ]" 1
1206 3 6 DG H1' 3 7 DT H6 5.000 . 5.000 4.524 4.006 4.929 . 0 0 "[ . 1 . ]" 1
1207 3 6 DG H2'' 3 7 DT H6 3.400 . 3.400 3.012 2.853 3.236 . 0 0 "[ . 1 . ]" 1
1208 3 7 DT H1' 3 7 DT H2' 5.000 . 5.000 3.041 3.033 3.046 . 0 0 "[ . 1 . ]" 1
1209 3 7 DT H1' 3 7 DT H2'' 2.800 . 2.800 2.382 2.362 2.398 . 0 0 "[ . 1 . ]" 1
1210 3 7 DT H1' 3 7 DT H6 3.400 . 3.400 3.512 3.406 3.627 0.227 10 0 "[ . 1 . ]" 1
1211 3 7 DT H2' 3 7 DT H6 3.400 . 3.400 1.734 1.698 1.760 0.102 3 0 "[ . 1 . ]" 1
1212 3 7 DT H2'' 3 7 DT H6 3.400 . 3.400 2.884 2.670 3.186 . 0 0 "[ . 1 . ]" 1
1213 3 7 DT H1' 3 8 DA H8 5.000 . 5.000 3.155 2.644 4.186 . 0 0 "[ . 1 . ]" 1
1214 3 7 DT H2' 3 8 DA H8 5.000 . 5.000 3.882 3.332 4.311 . 0 0 "[ . 1 . ]" 1
1215 3 7 DT H2'' 3 8 DA H8 5.000 . 5.000 2.398 2.148 2.815 . 0 0 "[ . 1 . ]" 1
1216 3 7 DT H6 3 8 DA H8 5.000 . 5.000 4.456 3.850 5.020 0.020 9 0 "[ . 1 . ]" 1
1217 3 8 DA H1' 3 8 DA H2'' 2.800 . 2.800 2.301 2.270 2.347 . 0 0 "[ . 1 . ]" 1
1218 3 8 DA H1' 3 8 DA H3' 5.000 . 5.000 3.924 3.903 4.117 . 0 0 "[ . 1 . ]" 1
1219 3 8 DA H1' 3 8 DA H4' 5.000 . 5.000 2.838 2.685 3.896 . 0 0 "[ . 1 . ]" 1
1220 3 8 DA H1' 3 8 DA H8 5.000 . 5.000 3.815 3.584 3.876 . 0 0 "[ . 1 . ]" 1
1221 3 8 DA H2' 3 8 DA H8 2.800 . 2.800 2.146 1.941 2.288 . 0 0 "[ . 1 . ]" 1
1222 3 8 DA H3' 3 8 DA H8 5.000 . 5.000 3.529 3.187 4.423 . 0 0 "[ . 1 . ]" 1
1223 3 8 DA H2 3 9 DA H2 3.400 . 3.400 3.525 3.463 3.574 0.174 9 0 "[ . 1 . ]" 1
1224 3 8 DA H1' 3 9 DA H8 3.400 . 3.400 3.081 2.296 3.486 0.086 4 0 "[ . 1 . ]" 1
1225 3 9 DA H1' 3 9 DA H2' 2.800 . 2.800 3.032 2.977 3.045 0.245 11 0 "[ . 1 . ]" 1
1226 3 9 DA H1' 3 9 DA H2'' 2.800 . 2.800 2.384 2.278 2.418 . 0 0 "[ . 1 . ]" 1
1227 3 9 DA H1' 3 9 DA H8 3.700 2.100 3.700 3.813 3.768 3.840 0.140 1 0 "[ . 1 . ]" 1
1228 3 9 DA H2' 3 9 DA H8 2.800 . 2.800 2.085 1.953 2.173 . 0 0 "[ . 1 . ]" 1
1229 3 9 DA H2'' 3 9 DA H8 3.400 . 3.400 3.369 3.190 3.561 0.161 5 0 "[ . 1 . ]" 1
1230 3 9 DA H1' 3 10 DG H8 3.400 . 3.400 3.291 2.748 3.450 0.050 3 0 "[ . 1 . ]" 1
1231 3 9 DA H2' 3 10 DG H8 5.000 . 5.000 3.238 2.623 3.555 . 0 0 "[ . 1 . ]" 1
1232 3 9 DA H2'' 3 10 DG H8 3.400 . 3.400 2.211 1.927 2.462 . 0 0 "[ . 1 . ]" 1
1233 3 10 DG H1' 3 10 DG H2' 3.400 . 3.400 3.069 3.064 3.071 . 0 0 "[ . 1 . ]" 1
1234 3 10 DG H1' 3 10 DG H2'' 2.800 . 2.800 2.468 2.438 2.482 . 0 0 "[ . 1 . ]" 1
1235 3 10 DG H1' 3 10 DG H3' 5.000 . 5.000 3.736 3.710 3.772 . 0 0 "[ . 1 . ]" 1
1236 3 10 DG H1' 3 10 DG H4' 3.400 . 3.400 3.146 2.903 3.304 . 0 0 "[ . 1 . ]" 1
1237 3 10 DG H1' 3 10 DG H8 5.000 . 5.000 3.868 3.861 3.875 . 0 0 "[ . 1 . ]" 1
1238 3 10 DG H2' 3 10 DG H8 2.800 . 2.800 2.246 2.197 2.287 . 0 0 "[ . 1 . ]" 1
1239 3 10 DG H2'' 3 10 DG H8 3.400 2.400 3.400 3.505 3.425 3.550 0.150 15 0 "[ . 1 . ]" 1
1240 3 10 DG H3' 3 10 DG H8 5.000 . 5.000 4.527 4.437 4.592 . 0 0 "[ . 1 . ]" 1
1241 3 10 DG H2' 3 11 DC H5 3.400 . 3.400 3.472 3.360 3.531 0.131 11 0 "[ . 1 . ]" 1
1242 3 10 DG H2'' 3 11 DC H5 5.000 . 5.000 2.072 1.918 2.419 . 0 0 "[ . 1 . ]" 1
1243 3 10 DG H8 3 11 DC H5 5.000 . 5.000 4.327 3.860 4.544 . 0 0 "[ . 1 . ]" 1
1244 3 10 DG H1' 3 11 DC H6 3.400 . 3.400 2.771 2.581 3.116 . 0 0 "[ . 1 . ]" 1
1245 3 10 DG H2' 3 11 DC H6 5.000 . 5.000 4.533 4.192 4.796 . 0 0 "[ . 1 . ]" 1
1246 3 10 DG H2'' 3 11 DC H6 5.000 . 5.000 2.940 2.523 3.304 . 0 0 "[ . 1 . ]" 1
1247 3 11 DC H1' 3 11 DC H2' 2.800 . 2.800 2.876 2.823 2.918 0.118 6 0 "[ . 1 . ]" 1
1248 3 11 DC H1' 3 11 DC H2'' 2.800 . 2.800 2.284 2.267 2.324 . 0 0 "[ . 1 . ]" 1
1249 3 11 DC H1' 3 11 DC H3' 5.000 . 5.000 3.926 3.885 3.950 . 0 0 "[ . 1 . ]" 1
1250 3 11 DC H1' 3 11 DC H4' 3.400 . 3.400 3.077 2.910 3.242 . 0 0 "[ . 1 . ]" 1
1251 3 11 DC H2' 3 11 DC H4' 5.000 . 5.000 3.840 3.804 3.870 . 0 0 "[ . 1 . ]" 1
1252 3 11 DC H2'' 3 11 DC H4' 5.000 . 5.000 2.954 2.820 3.035 . 0 0 "[ . 1 . ]" 1
1253 3 11 DC H41 3 11 DC H42 3.400 . 3.400 1.744 1.740 1.747 0.060 7 0 "[ . 1 . ]" 1
1254 3 11 DC H41 3 11 DC H5 5.000 . 5.000 3.685 3.681 3.690 . 0 0 "[ . 1 . ]" 1
1255 3 11 DC H1' 3 11 DC H6 3.400 . 3.400 3.674 3.665 3.683 0.283 15 0 "[ . 1 . ]" 1
1256 3 11 DC H2' 3 11 DC H6 2.800 . 2.800 2.604 2.472 2.699 . 0 0 "[ . 1 . ]" 1
1257 3 11 DC H2'' 3 11 DC H6 3.700 2.100 3.700 3.895 3.833 3.939 0.239 13 0 "[ . 1 . ]" 1
1258 3 11 DC H3' 3 11 DC H6 2.800 . 2.800 2.412 1.998 2.691 . 0 0 "[ . 1 . ]" 1
1259 3 11 DC H4' 3 11 DC H6 5.000 . 5.000 4.318 4.211 4.408 . 0 0 "[ . 1 . ]" 1
1260 3 11 DC H5 3 11 DC H6 2.800 . 2.800 2.450 2.447 2.453 . 0 0 "[ . 1 . ]" 1
1261 3 11 DC H2' 3 12 DG H8 5.000 . 5.000 3.823 3.514 4.550 . 0 0 "[ . 1 . ]" 1
1262 3 11 DC H3' 3 12 DG H8 5.000 . 5.000 4.016 3.462 4.784 . 0 0 "[ . 1 . ]" 1
1263 3 11 DC H6 3 12 DG H8 5.000 . 5.000 3.941 3.726 4.041 . 0 0 "[ . 1 . ]" 1
1264 3 12 DG H1' 3 12 DG H2' 2.800 . 2.800 2.977 2.962 3.009 0.209 5 0 "[ . 1 . ]" 1
1265 3 12 DG H1' 3 12 DG H2'' 3.400 . 3.400 2.289 2.278 2.314 . 0 0 "[ . 1 . ]" 1
1266 3 12 DG H1' 3 12 DG H3' 5.000 . 5.000 4.013 3.923 4.049 . 0 0 "[ . 1 . ]" 1
1267 3 12 DG H3' 3 12 DG H4' 2.800 . 2.800 2.667 2.641 2.767 . 0 0 "[ . 1 . ]" 1
1268 3 12 DG H3' 3 12 DG H5'' 5.000 . 5.000 3.333 2.176 3.713 . 0 0 "[ . 1 . ]" 1
1269 3 12 DG H1' 3 12 DG H8 3.700 2.100 3.700 3.776 3.754 3.811 0.111 15 0 "[ . 1 . ]" 1
1270 3 12 DG H2' 3 12 DG H8 2.800 . 2.800 1.933 1.886 2.030 . 0 0 "[ . 1 . ]" 1
1271 3 12 DG H3' 3 12 DG H8 3.700 2.100 3.700 3.849 3.790 3.951 0.251 5 0 "[ . 1 . ]" 1
1272 3 12 DG H4' 3 12 DG H8 5.000 . 5.000 4.841 4.705 5.078 0.078 5 0 "[ . 1 . ]" 1
1273 3 12 DG H1' 3 13 DC H1' 5.000 . 5.000 3.107 2.818 3.516 . 0 0 "[ . 1 . ]" 1
1274 3 12 DG H1' 3 13 DC H5 5.000 . 5.000 4.525 4.376 4.624 . 0 0 "[ . 1 . ]" 1
1275 3 12 DG H2' 3 13 DC H5 5.000 . 5.000 3.506 3.161 3.762 . 0 0 "[ . 1 . ]" 1
1276 3 12 DG H2'' 3 13 DC H5 5.000 . 5.000 3.691 3.391 3.873 . 0 0 "[ . 1 . ]" 1
1277 3 12 DG H8 3 13 DC H5 5.000 . 5.000 3.543 3.119 3.874 . 0 0 "[ . 1 . ]" 1
1278 3 12 DG H1' 3 13 DC H6 2.800 . 2.800 2.841 2.804 2.884 0.084 2 0 "[ . 1 . ]" 1
1279 3 12 DG H2' 3 13 DC H6 3.400 . 3.400 3.205 2.960 3.416 0.016 2 0 "[ . 1 . ]" 1
1280 3 12 DG H2'' 3 13 DC H6 5.000 . 5.000 2.228 1.995 2.412 . 0 0 "[ . 1 . ]" 1
1281 3 12 DG H8 3 13 DC H6 5.000 . 5.000 4.146 4.002 4.298 . 0 0 "[ . 1 . ]" 1
1282 3 13 DC H1' 3 13 DC H2' 3.400 . 3.400 3.017 2.961 3.055 . 0 0 "[ . 1 . ]" 1
1283 3 13 DC H1' 3 13 DC H2'' 2.800 . 2.800 2.332 2.282 2.389 . 0 0 "[ . 1 . ]" 1
1284 3 13 DC H1' 3 13 DC H3' 5.000 . 5.000 3.908 3.849 3.952 . 0 0 "[ . 1 . ]" 1
1285 3 13 DC H2' 3 13 DC H3' 3.400 . 3.400 2.333 2.323 2.349 . 0 0 "[ . 1 . ]" 1
1286 3 13 DC H2'' 3 13 DC H3' 5.000 . 5.000 2.896 2.804 2.978 . 0 0 "[ . 1 . ]" 1
1287 3 13 DC H1' 3 13 DC H4' 3.400 . 3.400 2.823 2.760 2.891 . 0 0 "[ . 1 . ]" 1
1288 3 13 DC H4' 3 13 DC H5'' 2.800 . 2.800 2.683 2.213 2.776 . 0 0 "[ . 1 . ]" 1
1289 3 13 DC H1' 3 13 DC H6 5.000 . 5.000 3.639 3.596 3.685 . 0 0 "[ . 1 . ]" 1
1290 3 13 DC H2' 3 13 DC H6 5.000 . 5.000 3.107 2.758 3.380 . 0 0 "[ . 1 . ]" 1
1291 3 13 DC H3' 3 13 DC H6 5.000 . 5.000 3.922 3.509 4.286 . 0 0 "[ . 1 . ]" 1
1292 3 13 DC H4' 3 13 DC H6 5.000 . 5.000 4.433 4.363 4.532 . 0 0 "[ . 1 . ]" 1
1293 3 13 DC H5 3 13 DC H6 2.800 . 2.800 2.439 2.436 2.442 . 0 0 "[ . 1 . ]" 1
1294 3 13 DC H5'' 3 13 DC H6 5.000 . 5.000 4.410 4.240 4.639 . 0 0 "[ . 1 . ]" 1
1295 3 13 DC H1' 3 14 DT H6 5.000 . 5.000 4.923 4.651 5.034 0.034 10 0 "[ . 1 . ]" 1
1296 3 13 DC H2' 3 14 DT H6 3.400 . 3.400 2.761 2.269 3.412 0.012 15 0 "[ . 1 . ]" 1
1297 3 13 DC H2'' 3 14 DT H6 5.000 . 5.000 2.902 2.504 3.221 . 0 0 "[ . 1 . ]" 1
1298 3 14 DT H1' 3 14 DT H2' 5.000 . 5.000 3.054 3.029 3.065 . 0 0 "[ . 1 . ]" 1
1299 3 14 DT H1' 3 14 DT H2'' 2.800 . 2.800 2.406 2.342 2.452 . 0 0 "[ . 1 . ]" 1
1300 3 14 DT H2' 3 14 DT H2'' 5.000 . 5.000 1.760 1.759 1.761 0.041 4 0 "[ . 1 . ]" 1
1301 3 14 DT H1' 3 14 DT H4' 3.400 . 3.400 3.015 2.838 3.148 . 0 0 "[ . 1 . ]" 1
1302 3 14 DT H1' 3 14 DT H6 3.400 . 3.400 3.681 3.662 3.697 0.297 16 0 "[ . 1 . ]" 1
1303 3 14 DT H2' 3 14 DT H6 3.400 . 3.400 2.199 1.935 2.609 . 0 0 "[ . 1 . ]" 1
1304 3 14 DT H1' 3 15 DT H6 5.000 . 5.000 4.203 3.502 4.782 . 0 0 "[ . 1 . ]" 1
1305 3 14 DT H2'' 3 15 DT H6 5.000 . 5.000 2.370 2.015 2.641 . 0 0 "[ . 1 . ]" 1
1306 3 15 DT H1' 3 15 DT H2' 3.400 . 3.400 2.967 2.827 3.066 . 0 0 "[ . 1 . ]" 1
1307 3 15 DT H1' 3 15 DT H4' 3.400 . 3.400 3.179 2.715 3.448 0.048 4 0 "[ . 1 . ]" 1
1308 3 15 DT H1' 3 15 DT H6 5.000 . 5.000 3.661 3.426 3.722 . 0 0 "[ . 1 . ]" 1
1309 3 15 DT H2' 3 15 DT H6 2.800 . 2.800 2.194 1.772 2.822 0.028 14 0 "[ . 1 . ]" 1
1310 3 15 DT H3' 3 15 DT H6 5.000 . 5.000 3.181 1.990 4.282 . 0 0 "[ . 1 . ]" 1
1311 3 16 DA H2 4 8 DA H2 3.400 . 3.400 3.470 3.399 3.562 0.162 10 0 "[ . 1 . ]" 1
1312 3 15 DT H2' 3 16 DA H8 5.000 . 5.000 3.807 2.604 5.086 0.086 15 0 "[ . 1 . ]" 1
1313 3 16 DA H1' 3 16 DA H2' 3.400 . 3.400 3.038 3.036 3.041 . 0 0 "[ . 1 . ]" 1
1314 3 16 DA H1' 3 16 DA H2'' 2.800 . 2.800 2.373 2.366 2.380 . 0 0 "[ . 1 . ]" 1
1315 3 16 DA H1' 3 16 DA H3' 5.000 . 5.000 3.930 3.922 3.941 . 0 0 "[ . 1 . ]" 1
1316 3 16 DA H1' 3 16 DA H4' 5.000 . 5.000 3.636 3.622 3.649 . 0 0 "[ . 1 . ]" 1
1317 3 16 DA H1' 3 16 DA H5' 5.000 . 5.000 4.642 4.512 5.072 0.072 6 0 "[ . 1 . ]" 1
1318 3 16 DA H1' 3 16 DA H8 5.000 . 5.000 3.730 3.633 3.802 . 0 0 "[ . 1 . ]" 1
1319 3 16 DA H2' 3 16 DA H8 2.800 . 2.800 1.907 1.858 1.968 . 0 0 "[ . 1 . ]" 1
1320 3 16 DA H2' 3 17 DC H5 5.000 . 5.000 2.813 2.575 3.140 . 0 0 "[ . 1 . ]" 1
1321 3 16 DA H2'' 3 17 DC H5 5.000 . 5.000 2.279 2.152 2.432 . 0 0 "[ . 1 . ]" 1
1322 3 16 DA H2' 3 17 DC H6 5.000 . 5.000 3.963 3.750 4.253 . 0 0 "[ . 1 . ]" 1
1323 3 16 DA H2'' 3 17 DC H6 5.000 . 5.000 2.336 2.129 2.611 . 0 0 "[ . 1 . ]" 1
1324 3 16 DA H8 3 17 DC H6 5.000 . 5.000 5.026 4.954 5.082 0.082 10 0 "[ . 1 . ]" 1
1325 3 17 DC H41 3 17 DC H5 5.000 . 5.000 3.677 3.671 3.685 . 0 0 "[ . 1 . ]" 1
1326 3 17 DC H2' 3 17 DC H6 2.800 . 2.800 1.793 1.749 1.835 0.051 12 0 "[ . 1 . ]" 1
1327 3 17 DC H2'' 3 17 DC H6 3.400 . 3.400 3.248 3.167 3.318 . 0 0 "[ . 1 . ]" 1
1328 3 17 DC H3' 3 17 DC H6 5.000 . 5.000 3.945 3.913 3.988 . 0 0 "[ . 1 . ]" 1
1329 3 17 DC H5 3 17 DC H6 2.800 . 2.800 2.435 2.432 2.437 . 0 0 "[ . 1 . ]" 1
1330 3 18 DA H2 4 5 DT H1' 5.000 . 5.000 4.824 4.719 4.905 . 0 0 "[ . 1 . ]" 1
1331 3 17 DC H2' 3 18 DA H8 5.000 . 5.000 3.804 3.613 3.936 . 0 0 "[ . 1 . ]" 1
1332 3 18 DA H1' 3 18 DA H8 3.700 2.100 3.700 3.841 3.831 3.855 0.155 16 0 "[ . 1 . ]" 1
1333 3 18 DA H3' 3 18 DA H8 5.000 . 5.000 4.180 4.148 4.223 . 0 0 "[ . 1 . ]" 1
1334 3 18 DA H2 3 19 DA H2 5.000 . 5.000 3.533 3.285 3.679 . 0 0 "[ . 1 . ]" 1
1335 3 18 DA H1' 3 19 DA H8 5.000 . 5.000 3.435 3.282 3.597 . 0 0 "[ . 1 . ]" 1
1336 3 19 DA H1' 3 19 DA H2' 3.400 . 3.400 3.032 3.030 3.035 . 0 0 "[ . 1 . ]" 1
1337 3 19 DA H1' 3 19 DA H2'' 2.800 . 2.800 2.350 2.340 2.357 . 0 0 "[ . 1 . ]" 1
1338 3 19 DA H2' 3 19 DA H3' 2.800 . 2.800 2.397 2.392 2.400 . 0 0 "[ . 1 . ]" 1
1339 3 19 DA H2'' 3 19 DA H3' 2.800 . 2.800 2.701 2.698 2.706 . 0 0 "[ . 1 . ]" 1
1340 3 19 DA H1' 3 19 DA H8 5.000 . 5.000 3.823 3.816 3.837 . 0 0 "[ . 1 . ]" 1
1341 3 19 DA H2'' 3 19 DA H8 5.000 . 5.000 3.501 3.463 3.573 . 0 0 "[ . 1 . ]" 1
1342 3 19 DA H1' 3 20 DT H6 3.400 . 3.400 3.281 3.210 3.317 . 0 0 "[ . 1 . ]" 1
1343 3 19 DA H2'' 3 20 DT H6 2.800 . 2.800 2.100 2.037 2.155 . 0 0 "[ . 1 . ]" 1
1344 3 19 DA H8 3 20 DT H6 5.000 . 5.000 5.147 5.109 5.221 0.221 2 0 "[ . 1 . ]" 1
1345 3 20 DT H1' 3 20 DT H2' 3.400 . 3.400 3.023 3.020 3.025 . 0 0 "[ . 1 . ]" 1
1346 3 20 DT H1' 3 20 DT H2'' 2.800 . 2.800 2.342 2.336 2.348 . 0 0 "[ . 1 . ]" 1
1347 3 20 DT H1' 3 20 DT H4' 3.400 . 3.400 3.562 3.553 3.568 0.168 4 0 "[ . 1 . ]" 1
1348 3 20 DT H1' 3 20 DT H6 3.400 . 3.400 3.670 3.665 3.679 0.279 5 0 "[ . 1 . ]" 1
1349 3 20 DT H2' 3 20 DT H6 3.400 . 3.400 1.889 1.860 1.934 . 0 0 "[ . 1 . ]" 1
1350 3 20 DT H2'' 3 20 DT H6 5.000 . 5.000 3.330 3.302 3.374 . 0 0 "[ . 1 . ]" 1
1351 3 3 DA H2 4 21 DT H1' 5.000 . 5.000 5.127 5.076 5.167 0.167 10 0 "[ . 1 . ]" 1
1352 3 20 DT H1' 3 21 DT H6 5.000 . 5.000 3.213 3.158 3.281 . 0 0 "[ . 1 . ]" 1
1353 3 20 DT H2' 3 21 DT H6 3.400 . 3.400 3.596 3.573 3.612 0.212 2 0 "[ . 1 . ]" 1
1354 3 21 DT H1' 3 21 DT H2' 2.800 . 2.800 3.016 3.013 3.018 0.218 3 0 "[ . 1 . ]" 1
1355 3 21 DT H1' 3 21 DT H2'' 2.800 . 2.800 2.348 2.341 2.352 . 0 0 "[ . 1 . ]" 1
1356 3 21 DT H1' 3 21 DT H4' 3.400 . 3.400 3.554 3.550 3.558 0.158 8 0 "[ . 1 . ]" 1
1357 3 21 DT H1' 3 21 DT H6 3.400 . 3.400 3.686 3.681 3.689 0.289 13 0 "[ . 1 . ]" 1
1358 3 21 DT H2' 3 21 DT H6 2.800 . 2.800 1.965 1.947 1.979 . 0 0 "[ . 1 . ]" 1
1359 3 21 DT H2'' 3 21 DT H6 3.400 2.400 3.400 3.410 3.389 3.426 0.026 15 0 "[ . 1 . ]" 1
1360 3 21 DT H3' 3 21 DT H6 4.000 2.400 4.000 4.067 4.053 4.084 0.084 5 0 "[ . 1 . ]" 1
1361 3 21 DT H4' 3 21 DT H6 5.000 . 5.000 4.746 4.731 4.772 . 0 0 "[ . 1 . ]" 1
1362 3 21 DT H1' 3 22 DC H5 5.000 . 5.000 4.266 3.976 4.516 . 0 0 "[ . 1 . ]" 1
1363 3 21 DT H2' 3 22 DC H5 5.000 . 5.000 2.639 2.503 2.772 . 0 0 "[ . 1 . ]" 1
1364 3 21 DT H6 3 22 DC H5 5.000 . 5.000 3.297 3.254 3.345 . 0 0 "[ . 1 . ]" 1
1365 3 21 DT H1' 3 22 DC H6 5.000 . 5.000 3.952 3.618 4.234 . 0 0 "[ . 1 . ]" 1
1366 3 21 DT H2' 3 22 DC H6 3.400 . 3.400 3.570 3.548 3.606 0.206 14 0 "[ . 1 . ]" 1
1367 3 21 DT H2'' 3 22 DC H6 3.400 . 3.400 2.199 2.047 2.339 . 0 0 "[ . 1 . ]" 1
1368 3 22 DC H1' 3 22 DC H2' 2.800 . 2.800 3.019 3.016 3.022 0.222 6 0 "[ . 1 . ]" 1
1369 3 22 DC H1' 3 22 DC H4' 3.400 . 3.400 3.569 3.564 3.575 0.175 6 0 "[ . 1 . ]" 1
1370 3 22 DC H1' 3 22 DC H6 3.400 . 3.400 3.600 3.556 3.642 0.242 2 0 "[ . 1 . ]" 1
1371 3 22 DC H2' 3 22 DC H6 2.800 . 2.800 1.783 1.764 1.825 0.036 6 0 "[ . 1 . ]" 1
1372 3 22 DC H5 3 22 DC H6 2.800 . 2.800 2.434 2.431 2.438 . 0 0 "[ . 1 . ]" 1
1373 3 4 DT H1' 3 4 DT H6 5.000 . 5.000 3.689 3.680 3.699 . 0 0 "[ . 1 . ]" 1
1374 3 4 DT H2' 3 4 DT H6 3.400 . 3.400 1.851 1.824 1.886 . 0 0 "[ . 1 . ]" 1
1375 3 4 DT H2'' 3 4 DT H6 5.000 . 5.000 3.307 3.258 3.351 . 0 0 "[ . 1 . ]" 1
1376 3 4 DT H3 3 5 DT H3 5.000 . 5.000 3.532 3.394 3.689 . 0 0 "[ . 1 . ]" 1
1377 3 4 DT H1' 3 5 DT H6 5.000 . 5.000 3.689 3.465 3.914 . 0 0 "[ . 1 . ]" 1
1378 3 4 DT H2' 3 5 DT H6 5.000 . 5.000 3.982 3.876 4.122 . 0 0 "[ . 1 . ]" 1
1379 3 4 DT H2'' 3 5 DT H6 5.000 . 5.000 2.363 2.238 2.493 . 0 0 "[ . 1 . ]" 1
1380 3 5 DT H1' 3 5 DT H6 5.000 . 5.000 3.672 3.651 3.693 . 0 0 "[ . 1 . ]" 1
1381 3 7 DT H3 3 8 DA H2 5.000 . 5.000 3.599 3.335 3.884 . 0 0 "[ . 1 . ]" 1
1382 3 10 DG H1 4 12 DG H1 5.000 . 5.000 3.404 3.095 3.580 . 0 0 "[ . 1 . ]" 1
1383 3 12 DG H1 4 11 DC H5 5.000 . 5.000 4.765 4.743 4.784 . 0 0 "[ . 1 . ]" 1
1384 3 13 DC H41 4 10 DG H1 5.000 . 5.000 2.550 2.380 2.750 . 0 0 "[ . 1 . ]" 1
1385 3 10 DG H1 4 13 DC H42 5.000 . 5.000 4.046 3.884 4.199 . 0 0 "[ . 1 . ]" 1
1386 3 10 DG H1 4 13 DC H5 5.000 . 5.000 4.976 4.879 5.052 0.052 12 0 "[ . 1 . ]" 1
1387 3 13 DC H41 3 13 DC H42 2.800 . 2.800 1.753 1.750 1.756 0.050 3 0 "[ . 1 . ]" 1
1388 3 14 DT H3 4 8 DA H2 5.000 . 5.000 4.698 4.541 4.972 . 0 0 "[ . 1 . ]" 1
1389 3 14 DT H3 4 9 DA H2 2.800 . 2.800 2.704 2.608 2.821 0.021 8 0 "[ . 1 . ]" 1
1390 3 10 DG H1 4 14 DT H3 5.000 . 5.000 3.813 3.615 4.048 . 0 0 "[ . 1 . ]" 1
1391 3 15 DT H3 4 8 DA H2 2.800 . 2.800 2.808 2.716 2.872 0.072 4 0 "[ . 1 . ]" 1
1392 3 15 DT H3 4 9 DA H2 5.000 . 5.000 4.021 3.579 4.288 . 0 0 "[ . 1 . ]" 1
1393 3 14 DT H3 3 15 DT H3 5.000 . 5.000 3.549 3.354 3.729 . 0 0 "[ . 1 . ]" 1
1394 3 6 DG H1 4 16 DA H2 5.000 . 5.000 4.983 4.705 5.096 0.096 2 0 "[ . 1 . ]" 1
1395 3 7 DT H3 4 16 DA H2 3.400 . 3.400 2.771 2.645 2.826 . 0 0 "[ . 1 . ]" 1
1396 3 15 DT H1' 3 16 DA H8 5.000 . 5.000 3.900 2.492 4.787 . 0 0 "[ . 1 . ]" 1
1397 3 6 DG H1 4 17 DC H42 5.000 . 5.000 3.923 3.789 4.123 . 0 0 "[ . 1 . ]" 1
1398 3 6 DG H1 4 17 DC H41 5.000 . 5.000 2.413 2.245 2.669 . 0 0 "[ . 1 . ]" 1
1399 3 6 DG H1 4 17 DC H5 5.000 . 5.000 4.945 4.875 5.032 0.032 2 0 "[ . 1 . ]" 1
1400 3 16 DA H1' 3 17 DC H5 5.000 . 5.000 4.048 3.775 4.261 . 0 0 "[ . 1 . ]" 1
1401 3 16 DA H8 3 17 DC H5 3.400 . 3.400 3.245 3.082 3.339 . 0 0 "[ . 1 . ]" 1
1402 3 16 DA H1' 3 17 DC H6 5.000 . 5.000 3.716 3.462 3.915 . 0 0 "[ . 1 . ]" 1
1403 3 17 DC H1' 3 17 DC H2' 3.400 . 3.400 3.036 3.032 3.040 . 0 0 "[ . 1 . ]" 1
1404 3 17 DC H1' 3 17 DC H2'' 5.000 . 5.000 2.366 2.361 2.373 . 0 0 "[ . 1 . ]" 1
1405 3 17 DC H41 3 17 DC H42 3.400 . 3.400 1.753 1.749 1.757 0.051 3 0 "[ . 1 . ]" 1
1406 3 17 DC H42 3 17 DC H5 2.800 . 2.800 2.414 2.401 2.426 . 0 0 "[ . 1 . ]" 1
1407 3 5 DT H3 4 18 DA H2 2.800 . 2.800 2.744 2.625 2.813 0.013 14 0 "[ . 1 . ]" 1
1408 3 6 DG H1 4 18 DA H2 5.000 . 5.000 4.307 4.071 4.566 . 0 0 "[ . 1 . ]" 1
1409 3 4 DT H3 4 19 DA H2 2.800 . 2.800 2.823 2.691 2.857 0.057 3 0 "[ . 1 . ]" 1
1410 3 5 DT H3 4 19 DA H2 5.000 . 5.000 4.125 3.899 4.317 . 0 0 "[ . 1 . ]" 1
1411 3 20 DT H3 4 3 DA H2 3.400 . 3.400 2.852 2.784 2.964 . 0 0 "[ . 1 . ]" 1
1412 4 1 DG H1' 4 1 DG H8 3.700 2.100 3.700 3.819 3.809 3.827 0.127 2 0 "[ . 1 . ]" 1
1413 4 1 DG H2' 4 1 DG H8 3.400 . 3.400 2.030 1.992 2.055 . 0 0 "[ . 1 . ]" 1
1414 4 1 DG H2'' 4 1 DG H8 3.400 . 3.400 3.502 3.454 3.530 0.130 2 0 "[ . 1 . ]" 1
1415 4 1 DG H3' 4 1 DG H8 5.000 . 5.000 4.125 4.106 4.145 . 0 0 "[ . 1 . ]" 1
1416 4 1 DG H4' 4 1 DG H8 5.000 . 5.000 4.844 4.823 4.883 . 0 0 "[ . 1 . ]" 1
1417 4 1 DG H5' 4 1 DG H8 5.000 . 5.000 4.031 3.833 4.335 . 0 0 "[ . 1 . ]" 1
1418 4 1 DG H1' 4 2 DA H8 3.400 . 3.400 3.316 3.184 3.414 0.014 1 0 "[ . 1 . ]" 1
1419 4 1 DG H2' 4 2 DA H8 5.000 . 5.000 3.688 3.623 3.773 . 0 0 "[ . 1 . ]" 1
1420 4 1 DG H2'' 4 2 DA H8 2.800 . 2.800 2.002 1.942 2.069 . 0 0 "[ . 1 . ]" 1
1421 4 1 DG H3' 4 2 DA H8 5.000 . 5.000 4.314 4.272 4.347 . 0 0 "[ . 1 . ]" 1
1422 4 2 DA H1' 4 2 DA H8 3.700 2.100 3.700 3.815 3.809 3.819 0.119 14 0 "[ . 1 . ]" 1
1423 4 2 DA H2' 4 2 DA H8 2.800 . 2.800 2.046 2.029 2.071 . 0 0 "[ . 1 . ]" 1
1424 4 2 DA H2'' 4 2 DA H8 3.400 . 3.400 3.537 3.516 3.562 0.162 14 0 "[ . 1 . ]" 1
1425 4 2 DA H3' 4 2 DA H8 4.000 2.400 4.000 4.093 4.070 4.104 0.104 13 0 "[ . 1 . ]" 1
1426 4 2 DA H1' 4 3 DA H8 3.400 . 3.400 2.804 2.729 2.875 . 0 0 "[ . 1 . ]" 1
1427 4 2 DA H2' 4 3 DA H8 3.400 . 3.400 3.471 3.452 3.486 0.086 15 0 "[ . 1 . ]" 1
1428 4 2 DA H2'' 4 3 DA H8 3.400 . 3.400 1.801 1.793 1.823 0.007 9 0 "[ . 1 . ]" 1
1429 4 3 DA H1' 4 3 DA H2' 5.000 . 5.000 3.035 3.032 3.037 . 0 0 "[ . 1 . ]" 1
1430 4 3 DA H2' 4 3 DA H3' 3.400 . 3.400 2.405 2.400 2.412 . 0 0 "[ . 1 . ]" 1
1431 4 3 DA H2'' 4 3 DA H3' 5.000 . 5.000 2.694 2.690 2.698 . 0 0 "[ . 1 . ]" 1
1432 4 3 DA H1' 4 3 DA H8 5.000 . 5.000 3.879 3.873 3.888 . 0 0 "[ . 1 . ]" 1
1433 4 3 DA H2' 4 3 DA H8 3.400 . 3.400 2.264 2.222 2.297 . 0 0 "[ . 1 . ]" 1
1434 4 3 DA H2 4 4 DT H1' 5.000 . 5.000 5.107 5.049 5.157 0.157 10 0 "[ . 1 . ]" 1
1435 4 3 DA H1' 4 4 DT H6 5.000 . 5.000 3.610 3.495 3.696 . 0 0 "[ . 1 . ]" 1
1436 4 3 DA H2' 4 4 DT H6 5.000 . 5.000 3.833 3.742 3.958 . 0 0 "[ . 1 . ]" 1
1437 4 3 DA H2'' 4 4 DT H6 5.000 . 5.000 2.222 2.170 2.313 . 0 0 "[ . 1 . ]" 1
1438 4 3 DA H3' 4 4 DT H6 5.000 . 5.000 4.578 4.540 4.621 . 0 0 "[ . 1 . ]" 1
1439 4 4 DT H1' 4 4 DT H2' 5.000 . 5.000 3.038 3.032 3.041 . 0 0 "[ . 1 . ]" 1
1440 4 4 DT H1' 4 4 DT H2'' 3.400 . 3.400 2.370 2.360 2.383 . 0 0 "[ . 1 . ]" 1
1441 4 6 DG H1' 4 6 DG H2' 5.000 . 5.000 3.035 3.033 3.037 . 0 0 "[ . 1 . ]" 1
1442 4 6 DG H1' 4 6 DG H2'' 3.400 . 3.400 2.364 2.352 2.374 . 0 0 "[ . 1 . ]" 1
1443 4 6 DG H1' 4 7 DT H6 5.000 . 5.000 4.525 4.053 4.946 . 0 0 "[ . 1 . ]" 1
1444 4 6 DG H2'' 4 7 DT H6 3.400 . 3.400 3.016 2.796 3.281 . 0 0 "[ . 1 . ]" 1
1445 4 7 DT H1' 4 7 DT H2' 5.000 . 5.000 3.041 3.033 3.046 . 0 0 "[ . 1 . ]" 1
1446 4 7 DT H1' 4 7 DT H2'' 2.800 . 2.800 2.383 2.363 2.402 . 0 0 "[ . 1 . ]" 1
1447 4 7 DT H1' 4 7 DT H6 3.400 . 3.400 3.519 3.424 3.625 0.225 10 0 "[ . 1 . ]" 1
1448 4 7 DT H2' 4 7 DT H6 3.400 . 3.400 1.739 1.701 1.763 0.099 15 0 "[ . 1 . ]" 1
1449 4 7 DT H2'' 4 7 DT H6 3.400 . 3.400 2.898 2.708 3.156 . 0 0 "[ . 1 . ]" 1
1450 4 7 DT H1' 4 8 DA H8 5.000 . 5.000 3.165 2.759 4.143 . 0 0 "[ . 1 . ]" 1
1451 4 7 DT H2' 4 8 DA H8 5.000 . 5.000 3.861 3.303 4.315 . 0 0 "[ . 1 . ]" 1
1452 4 7 DT H2'' 4 8 DA H8 5.000 . 5.000 2.373 2.090 2.824 . 0 0 "[ . 1 . ]" 1
1453 4 7 DT H6 4 8 DA H8 5.000 . 5.000 4.453 3.805 5.005 0.005 9 0 "[ . 1 . ]" 1
1454 4 8 DA H1' 4 8 DA H2'' 2.800 . 2.800 2.303 2.274 2.345 . 0 0 "[ . 1 . ]" 1
1455 4 8 DA H1' 4 8 DA H3' 5.000 . 5.000 3.925 3.901 4.110 . 0 0 "[ . 1 . ]" 1
1456 4 8 DA H1' 4 8 DA H4' 5.000 . 5.000 2.846 2.695 3.883 . 0 0 "[ . 1 . ]" 1
1457 4 8 DA H1' 4 8 DA H8 5.000 . 5.000 3.812 3.563 3.872 . 0 0 "[ . 1 . ]" 1
1458 4 8 DA H2' 4 8 DA H8 2.800 . 2.800 2.147 1.942 2.347 . 0 0 "[ . 1 . ]" 1
1459 4 8 DA H3' 4 8 DA H8 5.000 . 5.000 3.548 3.118 4.411 . 0 0 "[ . 1 . ]" 1
1460 4 8 DA H2 4 9 DA H2 3.400 . 3.400 3.523 3.465 3.574 0.174 4 0 "[ . 1 . ]" 1
1461 4 8 DA H1' 4 9 DA H8 3.400 . 3.400 3.082 2.255 3.496 0.096 4 0 "[ . 1 . ]" 1
1462 4 9 DA H1' 4 9 DA H2' 2.800 . 2.800 3.032 2.977 3.045 0.245 1 0 "[ . 1 . ]" 1
1463 4 9 DA H1' 4 9 DA H2'' 2.800 . 2.800 2.383 2.275 2.424 . 0 0 "[ . 1 . ]" 1
1464 4 9 DA H1' 4 9 DA H8 3.700 2.100 3.700 3.812 3.763 3.840 0.140 10 0 "[ . 1 . ]" 1
1465 4 9 DA H2' 4 9 DA H8 2.800 . 2.800 2.087 1.942 2.152 . 0 0 "[ . 1 . ]" 1
1466 4 9 DA H2'' 4 9 DA H8 3.400 . 3.400 3.370 3.167 3.587 0.187 5 0 "[ . 1 . ]" 1
1467 4 9 DA H1' 4 10 DG H8 3.400 . 3.400 3.297 2.805 3.450 0.050 3 0 "[ . 1 . ]" 1
1468 4 9 DA H2' 4 10 DG H8 5.000 . 5.000 3.209 2.596 3.499 . 0 0 "[ . 1 . ]" 1
1469 4 9 DA H2'' 4 10 DG H8 3.400 . 3.400 2.229 1.933 2.524 . 0 0 "[ . 1 . ]" 1
1470 4 10 DG H1' 4 10 DG H2' 3.400 . 3.400 3.069 3.066 3.073 . 0 0 "[ . 1 . ]" 1
1471 4 10 DG H1' 4 10 DG H2'' 2.800 . 2.800 2.472 2.453 2.491 . 0 0 "[ . 1 . ]" 1
1472 4 10 DG H1' 4 10 DG H3' 5.000 . 5.000 3.727 3.690 3.757 . 0 0 "[ . 1 . ]" 1
1473 4 10 DG H1' 4 10 DG H4' 3.400 . 3.400 3.133 2.877 3.263 . 0 0 "[ . 1 . ]" 1
1474 4 10 DG H1' 4 10 DG H8 5.000 . 5.000 3.867 3.858 3.878 . 0 0 "[ . 1 . ]" 1
1475 4 10 DG H2' 4 10 DG H8 2.800 . 2.800 2.246 2.186 2.301 . 0 0 "[ . 1 . ]" 1
1476 4 10 DG H2'' 4 10 DG H8 3.400 2.400 3.400 3.483 3.398 3.552 0.152 2 0 "[ . 1 . ]" 1
1477 4 10 DG H3' 4 10 DG H8 5.000 . 5.000 4.545 4.478 4.638 . 0 0 "[ . 1 . ]" 1
1478 4 10 DG H2' 4 11 DC H5 3.400 . 3.400 3.459 3.290 3.513 0.113 9 0 "[ . 1 . ]" 1
1479 4 10 DG H2'' 4 11 DC H5 5.000 . 5.000 2.035 1.924 2.361 . 0 0 "[ . 1 . ]" 1
1480 4 10 DG H8 4 11 DC H5 5.000 . 5.000 4.304 3.876 4.531 . 0 0 "[ . 1 . ]" 1
1481 4 10 DG H1' 4 11 DC H6 3.400 . 3.400 2.819 2.615 3.215 . 0 0 "[ . 1 . ]" 1
1482 4 10 DG H2' 4 11 DC H6 5.000 . 5.000 4.641 4.243 4.850 . 0 0 "[ . 1 . ]" 1
1483 4 10 DG H2'' 4 11 DC H6 5.000 . 5.000 3.066 2.571 3.325 . 0 0 "[ . 1 . ]" 1
1484 4 11 DC H1' 4 11 DC H2' 2.800 . 2.800 2.874 2.805 2.916 0.116 6 0 "[ . 1 . ]" 1
1485 4 11 DC H1' 4 11 DC H2'' 2.800 . 2.800 2.282 2.262 2.327 . 0 0 "[ . 1 . ]" 1
1486 4 11 DC H1' 4 11 DC H3' 5.000 . 5.000 3.928 3.881 3.948 . 0 0 "[ . 1 . ]" 1
1487 4 11 DC H1' 4 11 DC H4' 3.400 . 3.400 3.094 2.939 3.309 . 0 0 "[ . 1 . ]" 1
1488 4 11 DC H2' 4 11 DC H4' 5.000 . 5.000 3.846 3.814 3.871 . 0 0 "[ . 1 . ]" 1
1489 4 11 DC H2'' 4 11 DC H4' 5.000 . 5.000 2.964 2.831 3.057 . 0 0 "[ . 1 . ]" 1
1490 4 11 DC H41 4 11 DC H42 3.400 . 3.400 1.745 1.739 1.749 0.061 15 0 "[ . 1 . ]" 1
1491 4 11 DC H42 4 11 DC H5 5.000 . 5.000 2.437 2.425 2.445 . 0 0 "[ . 1 . ]" 1
1492 4 11 DC H1' 4 11 DC H6 3.400 . 3.400 3.673 3.668 3.681 0.281 15 0 "[ . 1 . ]" 1
1493 4 11 DC H2' 4 11 DC H6 2.800 . 2.800 2.570 2.487 2.685 . 0 0 "[ . 1 . ]" 1
1494 4 11 DC H2'' 4 11 DC H6 3.700 2.100 3.700 3.873 3.813 3.905 0.205 3 0 "[ . 1 . ]" 1
1495 4 11 DC H3' 4 11 DC H6 2.800 . 2.800 2.399 1.901 2.686 . 0 0 "[ . 1 . ]" 1
1496 4 11 DC H4' 4 11 DC H6 5.000 . 5.000 4.323 4.182 4.404 . 0 0 "[ . 1 . ]" 1
1497 4 11 DC H5 4 11 DC H6 2.800 . 2.800 2.450 2.446 2.454 . 0 0 "[ . 1 . ]" 1
1498 4 11 DC H2' 4 12 DG H8 5.000 . 5.000 3.649 3.332 4.316 . 0 0 "[ . 1 . ]" 1
1499 4 11 DC H3' 4 12 DG H8 5.000 . 5.000 3.910 3.363 4.591 . 0 0 "[ . 1 . ]" 1
1500 4 11 DC H6 4 12 DG H8 5.000 . 5.000 3.838 3.610 3.946 . 0 0 "[ . 1 . ]" 1
1501 4 12 DG H1' 4 12 DG H2' 2.800 . 2.800 2.975 2.961 3.007 0.207 5 0 "[ . 1 . ]" 1
1502 4 12 DG H1' 4 12 DG H2'' 3.400 . 3.400 2.291 2.275 2.313 . 0 0 "[ . 1 . ]" 1
1503 4 12 DG H1' 4 12 DG H3' 5.000 . 5.000 4.015 3.931 4.049 . 0 0 "[ . 1 . ]" 1
1504 4 12 DG H3' 4 12 DG H4' 2.800 . 2.800 2.661 2.640 2.762 . 0 0 "[ . 1 . ]" 1
1505 4 12 DG H3' 4 12 DG H5'' 5.000 . 5.000 3.369 2.195 3.703 . 0 0 "[ . 1 . ]" 1
1506 4 12 DG H1' 4 12 DG H8 3.700 2.100 3.700 3.784 3.761 3.820 0.120 15 0 "[ . 1 . ]" 1
1507 4 12 DG H2' 4 12 DG H8 2.800 . 2.800 1.961 1.903 2.090 . 0 0 "[ . 1 . ]" 1
1508 4 12 DG H3' 4 12 DG H8 3.700 2.100 3.700 3.843 3.778 3.941 0.241 5 0 "[ . 1 . ]" 1
1509 4 12 DG H4' 4 12 DG H8 5.000 . 5.000 4.793 4.645 5.056 0.056 5 0 "[ . 1 . ]" 1
1510 4 12 DG H1' 4 13 DC H1' 5.000 . 5.000 3.114 2.849 3.473 . 0 0 "[ . 1 . ]" 1
1511 4 12 DG H1' 4 13 DC H5 5.000 . 5.000 4.511 4.391 4.615 . 0 0 "[ . 1 . ]" 1
1512 4 12 DG H2' 4 13 DC H5 5.000 . 5.000 3.510 3.189 3.844 . 0 0 "[ . 1 . ]" 1
1513 4 12 DG H2'' 4 13 DC H5 5.000 . 5.000 3.673 3.437 3.910 . 0 0 "[ . 1 . ]" 1
1514 4 12 DG H8 4 13 DC H5 5.000 . 5.000 3.650 3.190 3.895 . 0 0 "[ . 1 . ]" 1
1515 4 12 DG H1' 4 13 DC H6 2.800 . 2.800 2.831 2.782 2.885 0.085 7 0 "[ . 1 . ]" 1
1516 4 12 DG H2' 4 13 DC H6 3.400 . 3.400 3.220 2.987 3.404 0.004 2 0 "[ . 1 . ]" 1
1517 4 12 DG H2'' 4 13 DC H6 5.000 . 5.000 2.224 2.021 2.428 . 0 0 "[ . 1 . ]" 1
1518 4 12 DG H8 4 13 DC H6 5.000 . 5.000 4.232 4.061 4.402 . 0 0 "[ . 1 . ]" 1
1519 4 13 DC H1' 4 13 DC H2' 3.400 . 3.400 3.019 2.968 3.056 . 0 0 "[ . 1 . ]" 1
1520 4 13 DC H1' 4 13 DC H2'' 2.800 . 2.800 2.333 2.284 2.396 . 0 0 "[ . 1 . ]" 1
1521 4 13 DC H1' 4 13 DC H3' 5.000 . 5.000 3.906 3.845 3.944 . 0 0 "[ . 1 . ]" 1
1522 4 13 DC H2' 4 13 DC H3' 3.400 . 3.400 2.334 2.326 2.351 . 0 0 "[ . 1 . ]" 1
1523 4 13 DC H2'' 4 13 DC H3' 5.000 . 5.000 2.891 2.784 2.976 . 0 0 "[ . 1 . ]" 1
1524 4 13 DC H1' 4 13 DC H4' 3.400 . 3.400 2.825 2.771 2.920 . 0 0 "[ . 1 . ]" 1
1525 4 13 DC H4' 4 13 DC H5'' 2.800 . 2.800 2.648 2.205 2.778 . 0 0 "[ . 1 . ]" 1
1526 4 13 DC H1' 4 13 DC H6 5.000 . 5.000 3.639 3.580 3.686 . 0 0 "[ . 1 . ]" 1
1527 4 13 DC H2' 4 13 DC H6 5.000 . 5.000 3.096 2.757 3.387 . 0 0 "[ . 1 . ]" 1
1528 4 13 DC H3' 4 13 DC H6 5.000 . 5.000 3.948 3.563 4.333 . 0 0 "[ . 1 . ]" 1
1529 4 13 DC H4' 4 13 DC H6 5.000 . 5.000 4.438 4.367 4.541 . 0 0 "[ . 1 . ]" 1
1530 4 13 DC H5 4 13 DC H6 2.800 . 2.800 2.438 2.433 2.441 . 0 0 "[ . 1 . ]" 1
1531 4 13 DC H5'' 4 13 DC H6 5.000 . 5.000 4.430 4.259 4.747 . 0 0 "[ . 1 . ]" 1
1532 4 13 DC H1' 4 14 DT H6 5.000 . 5.000 4.915 4.704 5.030 0.030 13 0 "[ . 1 . ]" 1
1533 4 13 DC H2' 4 14 DT H6 3.400 . 3.400 2.788 2.302 3.415 0.015 4 0 "[ . 1 . ]" 1
1534 4 13 DC H2'' 4 14 DT H6 5.000 . 5.000 2.878 2.552 3.197 . 0 0 "[ . 1 . ]" 1
1535 4 14 DT H1' 4 14 DT H2' 5.000 . 5.000 3.053 3.021 3.065 . 0 0 "[ . 1 . ]" 1
1536 4 14 DT H1' 4 14 DT H2'' 2.800 . 2.800 2.405 2.326 2.459 . 0 0 "[ . 1 . ]" 1
1537 4 14 DT H2' 4 14 DT H2'' 5.000 . 5.000 1.760 1.758 1.762 0.042 4 0 "[ . 1 . ]" 1
1538 4 14 DT H1' 4 14 DT H4' 3.400 . 3.400 3.022 2.812 3.201 . 0 0 "[ . 1 . ]" 1
1539 4 14 DT H1' 4 14 DT H6 3.400 . 3.400 3.682 3.654 3.695 0.295 8 0 "[ . 1 . ]" 1
1540 4 14 DT H2' 4 14 DT H6 3.400 . 3.400 2.205 1.955 2.737 . 0 0 "[ . 1 . ]" 1
1541 4 14 DT H1' 4 15 DT H6 5.000 . 5.000 4.193 3.456 4.861 . 0 0 "[ . 1 . ]" 1
1542 4 14 DT H2'' 4 15 DT H6 5.000 . 5.000 2.370 2.027 2.797 . 0 0 "[ . 1 . ]" 1
1543 4 15 DT H1' 4 15 DT H2' 3.400 . 3.400 2.966 2.820 3.065 . 0 0 "[ . 1 . ]" 1
1544 4 15 DT H1' 4 15 DT H4' 3.400 . 3.400 3.169 2.685 3.442 0.042 14 0 "[ . 1 . ]" 1
1545 4 15 DT H1' 4 15 DT H6 5.000 . 5.000 3.663 3.430 3.715 . 0 0 "[ . 1 . ]" 1
1546 4 15 DT H2' 4 15 DT H6 2.800 . 2.800 2.184 1.782 2.815 0.018 14 0 "[ . 1 . ]" 1
1547 4 15 DT H3' 4 15 DT H6 5.000 . 5.000 3.177 1.958 4.263 . 0 0 "[ . 1 . ]" 1
1548 3 8 DA H2 4 16 DA H2 3.400 . 3.400 3.472 3.418 3.555 0.155 10 0 "[ . 1 . ]" 1
1549 4 15 DT H2' 4 16 DA H8 5.000 . 5.000 3.804 2.561 5.043 0.043 15 0 "[ . 1 . ]" 1
1550 4 16 DA H1' 4 16 DA H2' 3.400 . 3.400 3.038 3.036 3.041 . 0 0 "[ . 1 . ]" 1
1551 4 16 DA H1' 4 16 DA H2'' 2.800 . 2.800 2.372 2.363 2.380 . 0 0 "[ . 1 . ]" 1
1552 4 16 DA H1' 4 16 DA H3' 5.000 . 5.000 3.927 3.912 3.935 . 0 0 "[ . 1 . ]" 1
1553 4 16 DA H1' 4 16 DA H4' 5.000 . 5.000 3.634 3.613 3.647 . 0 0 "[ . 1 . ]" 1
1554 4 16 DA H1' 4 16 DA H5' 5.000 . 5.000 4.645 4.507 5.069 0.069 7 0 "[ . 1 . ]" 1
1555 4 16 DA H1' 4 16 DA H8 5.000 . 5.000 3.733 3.627 3.815 . 0 0 "[ . 1 . ]" 1
1556 4 16 DA H2' 4 16 DA H8 2.800 . 2.800 1.909 1.848 2.020 . 0 0 "[ . 1 . ]" 1
1557 4 16 DA H2' 4 17 DC H5 5.000 . 5.000 2.799 2.553 3.102 . 0 0 "[ . 1 . ]" 1
1558 4 16 DA H2'' 4 17 DC H5 5.000 . 5.000 2.265 2.110 2.395 . 0 0 "[ . 1 . ]" 1
1559 4 16 DA H2' 4 17 DC H6 5.000 . 5.000 3.952 3.712 4.249 . 0 0 "[ . 1 . ]" 1
1560 4 16 DA H2'' 4 17 DC H6 5.000 . 5.000 2.323 2.122 2.608 . 0 0 "[ . 1 . ]" 1
1561 4 16 DA H8 4 17 DC H6 5.000 . 5.000 5.022 4.960 5.092 0.092 15 0 "[ . 1 . ]" 1
1562 4 17 DC H41 4 17 DC H5 5.000 . 5.000 3.677 3.673 3.681 . 0 0 "[ . 1 . ]" 1
1563 4 17 DC H2' 4 17 DC H6 2.800 . 2.800 1.796 1.773 1.829 0.027 11 0 "[ . 1 . ]" 1
1564 4 17 DC H2'' 4 17 DC H6 3.400 . 3.400 3.254 3.191 3.307 . 0 0 "[ . 1 . ]" 1
1565 4 17 DC H3' 4 17 DC H6 5.000 . 5.000 3.942 3.911 3.981 . 0 0 "[ . 1 . ]" 1
1566 4 17 DC H5 4 17 DC H6 2.800 . 2.800 2.435 2.433 2.438 . 0 0 "[ . 1 . ]" 1
1567 3 5 DT H1' 4 18 DA H2 5.000 . 5.000 4.827 4.755 4.895 . 0 0 "[ . 1 . ]" 1
1568 4 17 DC H2' 4 18 DA H8 5.000 . 5.000 3.813 3.641 3.918 . 0 0 "[ . 1 . ]" 1
1569 4 18 DA H1' 4 18 DA H8 3.700 2.100 3.700 3.842 3.823 3.855 0.155 11 0 "[ . 1 . ]" 1
1570 4 18 DA H3' 4 18 DA H8 5.000 . 5.000 4.181 4.142 4.225 . 0 0 "[ . 1 . ]" 1
1571 4 18 DA H2 4 19 DA H2 5.000 . 5.000 3.538 3.352 3.693 . 0 0 "[ . 1 . ]" 1
1572 4 18 DA H1' 4 19 DA H8 5.000 . 5.000 3.417 3.291 3.604 . 0 0 "[ . 1 . ]" 1
1573 4 19 DA H1' 4 19 DA H2' 3.400 . 3.400 3.033 3.029 3.035 . 0 0 "[ . 1 . ]" 1
1574 4 19 DA H1' 4 19 DA H2'' 2.800 . 2.800 2.349 2.345 2.356 . 0 0 "[ . 1 . ]" 1
1575 4 19 DA H2' 4 19 DA H3' 2.800 . 2.800 2.396 2.391 2.403 . 0 0 "[ . 1 . ]" 1
1576 4 19 DA H2'' 4 19 DA H3' 2.800 . 2.800 2.701 2.699 2.704 . 0 0 "[ . 1 . ]" 1
1577 4 19 DA H1' 4 19 DA H8 5.000 . 5.000 3.823 3.807 3.839 . 0 0 "[ . 1 . ]" 1
1578 4 19 DA H2'' 4 19 DA H8 5.000 . 5.000 3.501 3.450 3.577 . 0 0 "[ . 1 . ]" 1
1579 4 19 DA H1' 4 20 DT H6 3.400 . 3.400 3.270 3.207 3.333 . 0 0 "[ . 1 . ]" 1
1580 4 19 DA H2'' 4 20 DT H6 2.800 . 2.800 2.097 2.037 2.161 . 0 0 "[ . 1 . ]" 1
1581 4 19 DA H8 4 20 DT H6 5.000 . 5.000 5.147 5.092 5.266 0.266 2 0 "[ . 1 . ]" 1
1582 4 20 DT H1' 4 20 DT H2' 3.400 . 3.400 3.023 3.019 3.027 . 0 0 "[ . 1 . ]" 1
1583 4 20 DT H1' 4 20 DT H2'' 2.800 . 2.800 2.343 2.334 2.350 . 0 0 "[ . 1 . ]" 1
1584 4 20 DT H1' 4 20 DT H4' 3.400 . 3.400 3.562 3.556 3.569 0.169 2 0 "[ . 1 . ]" 1
1585 4 20 DT H1' 4 20 DT H6 3.400 . 3.400 3.670 3.663 3.677 0.277 2 0 "[ . 1 . ]" 1
1586 4 20 DT H2' 4 20 DT H6 3.400 . 3.400 1.889 1.864 1.917 . 0 0 "[ . 1 . ]" 1
1587 4 20 DT H2'' 4 20 DT H6 5.000 . 5.000 3.333 3.302 3.363 . 0 0 "[ . 1 . ]" 1
1588 3 21 DT H1' 4 3 DA H2 5.000 . 5.000 5.122 5.093 5.153 0.153 11 0 "[ . 1 . ]" 1
1589 4 20 DT H1' 4 21 DT H6 5.000 . 5.000 3.221 3.150 3.299 . 0 0 "[ . 1 . ]" 1
1590 4 20 DT H2' 4 21 DT H6 3.400 . 3.400 3.597 3.584 3.622 0.222 12 0 "[ . 1 . ]" 1
1591 4 21 DT H1' 4 21 DT H2' 2.800 . 2.800 3.016 3.012 3.018 0.218 1 0 "[ . 1 . ]" 1
1592 4 21 DT H1' 4 21 DT H2'' 2.800 . 2.800 2.348 2.343 2.355 . 0 0 "[ . 1 . ]" 1
1593 4 21 DT H1' 4 21 DT H4' 3.400 . 3.400 3.555 3.548 3.560 0.160 8 0 "[ . 1 . ]" 1
1594 4 21 DT H1' 4 21 DT H6 3.400 . 3.400 3.685 3.681 3.691 0.291 7 0 "[ . 1 . ]" 1
1595 4 21 DT H2' 4 21 DT H6 2.800 . 2.800 1.962 1.942 1.994 . 0 0 "[ . 1 . ]" 1
1596 4 21 DT H2'' 4 21 DT H6 3.400 2.400 3.400 3.408 3.384 3.439 0.039 7 0 "[ . 1 . ]" 1
1597 4 21 DT H3' 4 21 DT H6 4.000 2.400 4.000 4.063 4.038 4.081 0.081 7 0 "[ . 1 . ]" 1
1598 4 21 DT H4' 4 21 DT H6 5.000 . 5.000 4.743 4.725 4.769 . 0 0 "[ . 1 . ]" 1
1599 4 21 DT H1' 4 22 DC H5 5.000 . 5.000 4.258 3.923 4.665 . 0 0 "[ . 1 . ]" 1
1600 4 21 DT H2' 4 22 DC H5 5.000 . 5.000 2.641 2.541 2.770 . 0 0 "[ . 1 . ]" 1
1601 4 21 DT H6 4 22 DC H5 5.000 . 5.000 3.315 3.254 3.415 . 0 0 "[ . 1 . ]" 1
1602 4 21 DT H1' 4 22 DC H6 5.000 . 5.000 3.935 3.601 4.396 . 0 0 "[ . 1 . ]" 1
1603 4 21 DT H2' 4 22 DC H6 3.400 . 3.400 3.579 3.547 3.609 0.209 2 0 "[ . 1 . ]" 1
1604 4 21 DT H2'' 4 22 DC H6 3.400 . 3.400 2.199 2.073 2.418 . 0 0 "[ . 1 . ]" 1
1605 4 22 DC H1' 4 22 DC H2' 2.800 . 2.800 3.018 3.015 3.023 0.223 7 0 "[ . 1 . ]" 1
1606 4 22 DC H1' 4 22 DC H4' 3.400 . 3.400 3.569 3.562 3.574 0.174 11 0 "[ . 1 . ]" 1
1607 4 22 DC H1' 4 22 DC H6 3.400 . 3.400 3.603 3.537 3.641 0.241 2 0 "[ . 1 . ]" 1
1608 4 22 DC H2' 4 22 DC H6 2.800 . 2.800 1.787 1.769 1.816 0.031 5 0 "[ . 1 . ]" 1
1609 4 22 DC H5 4 22 DC H6 2.800 . 2.800 2.435 2.432 2.438 . 0 0 "[ . 1 . ]" 1
1610 4 4 DT H1' 4 4 DT H6 5.000 . 5.000 3.688 3.678 3.696 . 0 0 "[ . 1 . ]" 1
1611 4 4 DT H2' 4 4 DT H6 3.400 . 3.400 1.849 1.820 1.876 . 0 0 "[ . 1 . ]" 1
1612 4 4 DT H2'' 4 4 DT H6 5.000 . 5.000 3.304 3.264 3.352 . 0 0 "[ . 1 . ]" 1
1613 4 4 DT H3 4 5 DT H3 5.000 . 5.000 3.523 3.337 3.704 . 0 0 "[ . 1 . ]" 1
1614 4 4 DT H1' 4 5 DT H6 5.000 . 5.000 3.679 3.389 3.887 . 0 0 "[ . 1 . ]" 1
1615 4 4 DT H2' 4 5 DT H6 5.000 . 5.000 3.987 3.868 4.114 . 0 0 "[ . 1 . ]" 1
1616 4 4 DT H2'' 4 5 DT H6 5.000 . 5.000 2.364 2.244 2.499 . 0 0 "[ . 1 . ]" 1
1617 4 5 DT H1' 4 5 DT H6 5.000 . 5.000 3.672 3.650 3.693 . 0 0 "[ . 1 . ]" 1
1618 4 7 DT H3 4 8 DA H2 5.000 . 5.000 3.588 3.278 3.818 . 0 0 "[ . 1 . ]" 1
1619 3 12 DG H1 4 10 DG H1 5.000 . 5.000 3.439 3.151 3.634 . 0 0 "[ . 1 . ]" 1
1620 3 11 DC H5 4 12 DG H1 5.000 . 5.000 4.764 4.742 4.785 . 0 0 "[ . 1 . ]" 1
1621 3 10 DG H1 4 13 DC H41 5.000 . 5.000 2.578 2.377 2.765 . 0 0 "[ . 1 . ]" 1
1622 3 13 DC H42 4 10 DG H1 5.000 . 5.000 4.020 3.867 4.194 . 0 0 "[ . 1 . ]" 1
1623 3 13 DC H5 4 10 DG H1 5.000 . 5.000 4.961 4.867 5.051 0.051 12 0 "[ . 1 . ]" 1
1624 4 13 DC H41 4 13 DC H42 2.800 . 2.800 1.753 1.749 1.756 0.051 16 0 "[ . 1 . ]" 1
1625 3 8 DA H2 4 14 DT H3 5.000 . 5.000 4.691 4.491 5.018 0.018 11 0 "[ . 1 . ]" 1
1626 3 9 DA H2 4 14 DT H3 2.800 . 2.800 2.713 2.623 2.828 0.028 8 0 "[ . 1 . ]" 1
1627 3 14 DT H3 4 10 DG H1 5.000 . 5.000 3.800 3.625 3.976 . 0 0 "[ . 1 . ]" 1
1628 3 8 DA H2 4 15 DT H3 2.800 . 2.800 2.812 2.688 2.876 0.076 12 0 "[ . 1 . ]" 1
1629 3 9 DA H2 4 15 DT H3 5.000 . 5.000 4.032 3.644 4.315 . 0 0 "[ . 1 . ]" 1
1630 4 14 DT H3 4 15 DT H3 5.000 . 5.000 3.539 3.392 3.711 . 0 0 "[ . 1 . ]" 1
1631 3 16 DA H2 4 6 DG H1 5.000 . 5.000 4.979 4.700 5.104 0.104 2 0 "[ . 1 . ]" 1
1632 3 16 DA H2 4 7 DT H3 3.400 . 3.400 2.773 2.657 2.836 . 0 0 "[ . 1 . ]" 1
1633 4 15 DT H1' 4 16 DA H8 5.000 . 5.000 3.882 2.539 4.818 . 0 0 "[ . 1 . ]" 1
1634 3 17 DC H42 4 6 DG H1 5.000 . 5.000 3.950 3.844 4.095 . 0 0 "[ . 1 . ]" 1
1635 3 17 DC H41 4 6 DG H1 5.000 . 5.000 2.447 2.313 2.625 . 0 0 "[ . 1 . ]" 1
1636 3 17 DC H5 4 6 DG H1 5.000 . 5.000 4.956 4.896 5.036 0.036 2 0 "[ . 1 . ]" 1
1637 4 16 DA H1' 4 17 DC H5 5.000 . 5.000 4.032 3.731 4.265 . 0 0 "[ . 1 . ]" 1
1638 4 16 DA H8 4 17 DC H5 3.400 . 3.400 3.234 3.060 3.318 . 0 0 "[ . 1 . ]" 1
1639 4 16 DA H1' 4 17 DC H6 5.000 . 5.000 3.702 3.444 3.971 . 0 0 "[ . 1 . ]" 1
1640 4 17 DC H1' 4 17 DC H2' 3.400 . 3.400 3.035 3.032 3.038 . 0 0 "[ . 1 . ]" 1
1641 4 17 DC H1' 4 17 DC H2'' 5.000 . 5.000 2.366 2.353 2.372 . 0 0 "[ . 1 . ]" 1
1642 4 17 DC H41 4 17 DC H42 3.400 . 3.400 1.753 1.749 1.757 0.051 7 0 "[ . 1 . ]" 1
1643 4 17 DC H42 4 17 DC H5 2.800 . 2.800 2.414 2.404 2.426 . 0 0 "[ . 1 . ]" 1
1644 3 18 DA H2 4 5 DT H3 2.800 . 2.800 2.757 2.605 2.827 0.027 6 0 "[ . 1 . ]" 1
1645 3 18 DA H2 4 6 DG H1 5.000 . 5.000 4.306 4.097 4.672 . 0 0 "[ . 1 . ]" 1
1646 3 19 DA H2 4 4 DT H3 2.800 . 2.800 2.818 2.713 2.864 0.064 4 0 "[ . 1 . ]" 1
1647 3 19 DA H2 4 5 DT H3 5.000 . 5.000 4.116 3.811 4.339 . 0 0 "[ . 1 . ]" 1
1648 3 3 DA H2 4 20 DT H3 3.400 . 3.400 2.863 2.767 3.001 . 0 0 "[ . 1 . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 2
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 24 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 42 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 50 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 53 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 53 ALA 0.000 0.000 . 0 "[ . 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 50 ASN HD21 1 53 ALA MB 5.000 . 5.000 3.744 3.549 4.057 . 0 0 "[ . 1 . ]" 2
2 1 24 VAL H 1 42 MET ME 5.000 . 5.000 3.026 2.880 3.146 . 0 0 "[ . 1 . ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 165
_Distance_constraint_stats_list.Viol_count 442
_Distance_constraint_stats_list.Viol_total 642.278
_Distance_constraint_stats_list.Viol_max 0.456
_Distance_constraint_stats_list.Viol_rms 0.0461
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0152
_Distance_constraint_stats_list.Viol_average_violations_only 0.0908
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 4 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 5 THR 0.642 0.095 10 0 "[ . 1 . ]"
1 6 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 7 TYR 1.771 0.120 7 0 "[ . 1 . ]"
1 8 ASP 1.150 0.120 7 0 "[ . 1 . ]"
1 9 VAL 2.256 0.172 15 0 "[ . 1 . ]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 11 GLU 0.830 0.246 15 0 "[ . 1 . ]"
1 12 TYR 5.852 0.208 6 0 "[ . 1 . ]"
1 13 ALA 2.267 0.208 6 0 "[ . 1 . ]"
1 15 VAL 0.830 0.246 15 0 "[ . 1 . ]"
1 16 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 18 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 19 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 24 VAL 0.067 0.029 2 0 "[ . 1 . ]"
1 29 HIS 1.642 0.204 4 0 "[ . 1 . ]"
1 32 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 33 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 36 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 39 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 42 MET 1.500 0.211 15 0 "[ . 1 . ]"
1 43 ALA 3.157 0.179 5 0 "[ . 1 . ]"
1 44 GLU 1.440 0.453 15 0 "[ . 1 . ]"
1 45 LEU 1.304 0.453 15 0 "[ . 1 . ]"
1 46 ASN 1.433 0.211 15 0 "[ . 1 . ]"
1 47 TYR 2.489 0.179 5 0 "[ . 1 . ]"
1 49 PRO 0.502 0.106 13 0 "[ . 1 . ]"
1 50 ASN 0.338 0.048 3 0 "[ . 1 . ]"
1 52 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 53 ALA 0.514 0.063 12 0 "[ . 1 . ]"
1 54 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 56 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 57 ALA 0.026 0.026 15 0 "[ . 1 . ]"
1 58 GLY 0.000 0.000 . 0 "[ . 1 . ]"
2 4 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 5 THR 0.726 0.085 4 0 "[ . 1 . ]"
2 6 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 7 TYR 1.764 0.141 15 0 "[ . 1 . ]"
2 8 ASP 1.069 0.141 15 0 "[ . 1 . ]"
2 9 VAL 2.240 0.193 14 0 "[ . 1 . ]"
2 10 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 11 GLU 0.385 0.213 1 0 "[ . 1 . ]"
2 12 TYR 5.761 0.222 6 0 "[ . 1 . ]"
2 13 ALA 2.222 0.222 6 0 "[ . 1 . ]"
2 15 VAL 0.385 0.213 1 0 "[ . 1 . ]"
2 16 SER 0.000 0.000 . 0 "[ . 1 . ]"
2 18 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 19 THR 0.000 0.000 . 0 "[ . 1 . ]"
2 24 VAL 0.091 0.055 2 0 "[ . 1 . ]"
2 29 HIS 1.487 0.173 3 0 "[ . 1 . ]"
2 32 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 33 LYS 0.000 0.000 . 0 "[ . 1 . ]"
2 36 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 39 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 42 MET 1.607 0.218 7 0 "[ . 1 . ]"
2 43 ALA 4.746 0.277 12 0 "[ . 1 . ]"
2 44 GLU 1.889 0.456 15 0 "[ . 1 . ]"
2 45 LEU 1.294 0.456 15 0 "[ . 1 . ]"
2 46 ASN 1.516 0.218 7 0 "[ . 1 . ]"
2 47 TYR 3.645 0.277 12 0 "[ . 1 . ]"
2 49 PRO 0.458 0.080 4 0 "[ . 1 . ]"
2 50 ASN 0.182 0.045 8 0 "[ . 1 . ]"
2 52 CYS 0.000 0.000 . 0 "[ . 1 . ]"
2 53 ALA 0.514 0.063 12 0 "[ . 1 . ]"
2 54 GLN 0.000 0.000 . 0 "[ . 1 . ]"
2 56 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 57 ALA 0.039 0.014 6 0 "[ . 1 . ]"
2 58 GLY 0.000 0.000 . 0 "[ . 1 . ]"
3 4 DT 1.642 0.204 4 0 "[ . 1 . ]"
3 6 DG 0.000 0.000 . 0 "[ . 1 . ]"
3 10 DG 0.000 0.000 . 0 "[ . 1 . ]"
3 11 DC 5.773 0.246 15 0 "[ . 1 . ]"
3 12 DG 3.337 0.246 15 0 "[ . 1 . ]"
3 13 DC 0.244 0.056 6 0 "[ . 1 . ]"
3 14 DT 0.654 0.227 1 0 "[ . 1 . ]"
4 4 DT 1.487 0.173 3 0 "[ . 1 . ]"
4 6 DG 0.000 0.000 . 0 "[ . 1 . ]"
4 10 DG 0.000 0.000 . 0 "[ . 1 . ]"
4 11 DC 0.000 0.000 . 0 "[ . 1 . ]"
4 12 DG 3.853 0.233 7 0 "[ . 1 . ]"
4 13 DC 0.139 0.052 6 0 "[ . 1 . ]"
4 14 DT 0.526 0.241 4 0 "[ . 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 3 12 DG H1 4 11 DC H41 3.400 . 3.400 2.035 2.005 2.090 . 0 0 "[ . 1 . ]" 3
2 3 11 DC H41 3 12 DG H1 3.400 . 3.400 3.567 3.535 3.646 0.246 15 0 "[ . 1 . ]" 3
3 3 12 DG H1 3 13 DC H1' 5.000 . 5.000 4.960 4.789 5.056 0.056 6 0 "[ . 1 . ]" 3
4 3 11 DC H3' 3 11 DC H4' 3.400 . 3.400 3.000 2.992 3.008 . 0 0 "[ . 1 . ]" 3
5 3 6 DG H2' 3 6 DG H3' 3.400 . 3.400 2.395 2.384 2.404 . 0 0 "[ . 1 . ]" 3
6 3 11 DC H2' 3 11 DC H3' 3.400 . 3.400 2.369 2.355 2.394 . 0 0 "[ . 1 . ]" 3
7 2 24 VAL H 2 42 MET ME 5.000 . 5.000 3.040 2.841 3.176 . 0 0 "[ . 1 . ]" 3
8 3 11 DC H42 4 12 DG H1 3.400 . 3.400 3.594 3.570 3.633 0.233 7 0 "[ . 1 . ]" 3
9 3 11 DC H41 4 12 DG H1 3.400 . 3.400 2.054 2.003 2.135 . 0 0 "[ . 1 . ]" 3
10 4 12 DG H1 4 13 DC H1' 5.000 . 5.000 4.932 4.725 5.052 0.052 6 0 "[ . 1 . ]" 3
11 4 11 DC H3' 4 11 DC H4' 3.400 . 3.400 2.998 2.991 3.006 . 0 0 "[ . 1 . ]" 3
12 4 6 DG H2' 4 6 DG H3' 3.400 . 3.400 2.395 2.386 2.406 . 0 0 "[ . 1 . ]" 3
13 4 11 DC H2' 4 11 DC H3' 3.400 . 3.400 2.370 2.355 2.399 . 0 0 "[ . 1 . ]" 3
14 1 5 THR HA 1 47 TYR QE 5.000 . 5.000 1.950 1.789 2.176 0.011 13 0 "[ . 1 . ]" 3
15 3 14 DT H3' 3 14 DT H6 5.000 . 5.000 4.059 3.637 4.305 . 0 0 "[ . 1 . ]" 3
16 3 14 DT H1' 3 14 DT H3' 5.000 . 5.000 3.818 3.751 3.909 . 0 0 "[ . 1 . ]" 3
17 3 14 DT H2' 3 14 DT H3' 3.400 . 3.400 2.371 2.317 2.397 . 0 0 "[ . 1 . ]" 3
18 3 14 DT H2'' 3 14 DT H3' 3.400 . 3.400 2.757 2.713 2.860 . 0 0 "[ . 1 . ]" 3
19 3 14 DT H3' 3 14 DT H4' 2.800 . 2.800 2.804 2.755 2.889 0.089 4 0 "[ . 1 . ]" 3
20 2 5 THR HA 2 47 TYR QE 5.000 . 5.000 1.917 1.783 2.040 0.017 13 0 "[ . 1 . ]" 3
21 4 14 DT H3' 4 14 DT H6 5.000 . 5.000 4.061 3.567 4.344 . 0 0 "[ . 1 . ]" 3
22 4 14 DT H1' 4 14 DT H3' 5.000 . 5.000 3.817 3.739 3.920 . 0 0 "[ . 1 . ]" 3
23 4 14 DT H2' 4 14 DT H3' 3.400 . 3.400 2.373 2.310 2.399 . 0 0 "[ . 1 . ]" 3
24 4 14 DT H2'' 4 14 DT H3' 3.400 . 3.400 2.756 2.710 2.880 . 0 0 "[ . 1 . ]" 3
25 4 14 DT H3' 4 14 DT H4' 2.800 . 2.800 2.802 2.740 2.901 0.101 4 0 "[ . 1 . ]" 3
26 3 14 DT H3' 3 14 DT H5'' 3.400 . 3.400 2.592 2.326 3.627 0.227 1 0 "[ . 1 . ]" 3
27 4 14 DT H3' 4 14 DT H5'' 3.400 . 3.400 2.453 2.189 3.641 0.241 4 0 "[ . 1 . ]" 3
28 1 16 SER H 1 16 SER HG 5.000 . 5.000 2.429 2.116 2.806 . 0 0 "[ . 1 . ]" 3
29 1 16 SER HG 1 18 ALA MB 5.000 . 5.000 2.609 2.456 2.746 . 0 0 "[ . 1 . ]" 3
30 1 16 SER HG 1 19 THR H 3.400 . 3.400 2.715 2.324 3.113 . 0 0 "[ . 1 . ]" 3
31 2 16 SER H 2 16 SER HG 5.000 . 5.000 2.374 2.146 2.759 . 0 0 "[ . 1 . ]" 3
32 2 16 SER HG 2 18 ALA MB 5.000 . 5.000 2.633 2.495 2.827 . 0 0 "[ . 1 . ]" 3
33 2 16 SER HG 2 19 THR H 3.400 . 3.400 2.646 2.299 2.937 . 0 0 "[ . 1 . ]" 3
34 1 9 VAL HB 1 12 TYR QD 5.000 . 5.000 4.591 4.449 4.714 . 0 0 "[ . 1 . ]" 3
35 1 9 VAL HB 1 12 TYR QE 6.000 2.800 6.000 6.141 6.117 6.172 0.172 15 0 "[ . 1 . ]" 3
36 1 12 TYR QD 1 13 ALA HA 6.000 2.800 6.000 4.309 4.157 4.413 . 0 0 "[ . 1 . ]" 3
37 1 12 TYR QE 1 13 ALA MB 6.000 2.800 6.000 6.142 6.101 6.208 0.208 6 0 "[ . 1 . ]" 3
38 1 12 TYR QE 1 44 GLU HB3 6.000 2.800 6.000 3.465 3.269 3.729 . 0 0 "[ . 1 . ]" 3
39 1 12 TYR QE 1 44 GLU HB2 6.000 2.800 6.000 2.859 2.765 3.115 0.035 7 0 "[ . 1 . ]" 3
40 1 12 TYR QD 1 43 ALA MB 6.000 4.400 6.000 6.074 6.022 6.099 0.099 13 0 "[ . 1 . ]" 3
41 1 12 TYR QE 1 43 ALA MB 6.000 2.800 6.000 5.560 5.480 5.669 . 0 0 "[ . 1 . ]" 3
42 1 42 MET HA 1 47 TYR QR 6.000 2.800 6.000 3.794 3.491 3.934 . 0 0 "[ . 1 . ]" 3
43 1 42 MET HG3 1 47 TYR QR 6.000 2.800 6.000 3.676 3.305 3.911 . 0 0 "[ . 1 . ]" 3
44 1 7 TYR QD 1 8 ASP HB2 6.000 2.800 6.000 6.055 5.725 6.120 0.120 7 0 "[ . 1 . ]" 3
45 1 5 THR HB 1 7 TYR QD 6.000 2.800 6.000 2.796 2.705 3.208 0.095 10 0 "[ . 1 . ]" 3
46 1 6 LEU H 1 7 TYR QD 6.000 2.800 6.000 3.694 3.465 4.364 . 0 0 "[ . 1 . ]" 3
47 1 7 TYR QD 1 10 ALA MB 6.000 2.800 6.000 4.411 4.214 4.608 . 0 0 "[ . 1 . ]" 3
48 1 7 TYR QE 1 10 ALA MB 6.000 2.800 6.000 5.666 5.492 5.864 . 0 0 "[ . 1 . ]" 3
49 2 9 VAL HB 2 12 TYR QD 5.000 . 5.000 4.590 4.500 4.675 . 0 0 "[ . 1 . ]" 3
50 2 9 VAL HB 2 12 TYR QE 6.000 2.800 6.000 6.140 6.096 6.193 0.193 14 0 "[ . 1 . ]" 3
51 2 12 TYR QD 2 13 ALA HA 6.000 2.800 6.000 4.291 4.188 4.494 . 0 0 "[ . 1 . ]" 3
52 2 12 TYR QE 2 13 ALA MB 6.000 2.800 6.000 6.139 6.099 6.222 0.222 6 0 "[ . 1 . ]" 3
53 2 12 TYR QE 2 44 GLU HB3 6.000 2.800 6.000 3.443 3.282 3.679 . 0 0 "[ . 1 . ]" 3
54 2 12 TYR QE 2 44 GLU HB2 6.000 2.800 6.000 2.840 2.766 3.022 0.034 10 0 "[ . 1 . ]" 3
55 2 12 TYR QD 2 43 ALA MB 6.000 4.400 6.000 6.072 6.035 6.110 0.110 6 0 "[ . 1 . ]" 3
56 2 12 TYR QE 2 43 ALA MB 6.000 2.800 6.000 5.552 5.473 5.722 . 0 0 "[ . 1 . ]" 3
57 2 42 MET HA 2 47 TYR QR 6.000 2.800 6.000 3.819 3.488 4.035 . 0 0 "[ . 1 . ]" 3
58 2 42 MET HG3 2 47 TYR QR 6.000 2.800 6.000 3.714 3.302 4.048 . 0 0 "[ . 1 . ]" 3
59 2 7 TYR QD 2 8 ASP HB2 6.000 2.800 6.000 6.047 5.676 6.141 0.141 15 0 "[ . 1 . ]" 3
60 2 5 THR HB 2 7 TYR QD 6.000 2.800 6.000 2.791 2.715 3.182 0.085 4 0 "[ . 1 . ]" 3
61 2 6 LEU H 2 7 TYR QD 6.000 2.800 6.000 3.707 3.382 4.383 . 0 0 "[ . 1 . ]" 3
62 2 7 TYR QD 2 10 ALA MB 6.000 2.800 6.000 4.395 4.190 4.615 . 0 0 "[ . 1 . ]" 3
63 2 7 TYR QE 2 10 ALA MB 6.000 2.800 6.000 5.656 5.430 5.851 . 0 0 "[ . 1 . ]" 3
64 1 8 ASP H 1 11 GLU QB 5.000 . 5.000 4.467 4.394 4.582 . 0 0 "[ . 1 . ]" 3
65 2 8 ASP H 2 11 GLU QB 5.000 . 5.000 4.461 4.380 4.554 . 0 0 "[ . 1 . ]" 3
66 1 47 TYR HH 1 49 PRO HA 3.400 . 3.400 3.263 2.916 3.428 0.028 7 0 "[ . 1 . ]" 3
67 2 47 TYR HH 2 49 PRO HA 3.400 . 3.400 3.241 2.868 3.439 0.039 16 0 "[ . 1 . ]" 3
68 1 47 TYR QR 1 49 PRO HA 5.000 . 5.000 3.200 2.789 3.329 . 0 0 "[ . 1 . ]" 3
69 2 47 TYR QR 2 49 PRO HA 5.000 . 5.000 3.264 2.917 3.494 . 0 0 "[ . 1 . ]" 3
70 1 47 TYR HH 1 49 PRO HB3 6.000 2.800 6.000 2.874 2.694 3.110 0.106 13 0 "[ . 1 . ]" 3
71 1 47 TYR HH 1 49 PRO HB2 5.000 . 5.000 4.314 3.931 4.598 . 0 0 "[ . 1 . ]" 3
72 1 47 TYR HH 1 49 PRO HG3 5.000 . 5.000 4.882 4.662 5.030 0.030 1 0 "[ . 1 . ]" 3
73 1 47 TYR HH 1 49 PRO HG2 6.000 2.800 6.000 5.803 5.611 6.017 0.017 5 0 "[ . 1 . ]" 3
74 2 47 TYR HH 2 49 PRO HB3 6.000 2.800 6.000 2.872 2.720 3.040 0.080 4 0 "[ . 1 . ]" 3
75 2 47 TYR HH 2 49 PRO HB2 5.000 . 5.000 4.289 3.858 4.486 . 0 0 "[ . 1 . ]" 3
76 2 47 TYR HH 2 49 PRO HG3 5.000 . 5.000 4.899 4.759 5.023 0.023 3 0 "[ . 1 . ]" 3
77 2 47 TYR HH 2 49 PRO HG2 6.000 2.800 6.000 5.802 5.628 5.964 . 0 0 "[ . 1 . ]" 3
78 1 43 ALA H 1 47 TYR HB2 5.300 2.100 5.300 5.418 5.215 5.479 0.179 5 0 "[ . 1 . ]" 3
79 1 43 ALA H 1 44 GLU HB2 5.300 2.100 5.300 5.044 4.855 5.112 . 0 0 "[ . 1 . ]" 3
80 2 43 ALA H 2 47 TYR HB2 5.000 . 5.000 5.197 5.064 5.277 0.277 12 0 "[ . 1 . ]" 3
81 2 43 ALA H 2 44 GLU HB2 5.000 . 5.000 5.015 4.879 5.051 0.051 6 0 "[ . 1 . ]" 3
82 1 44 GLU H 1 45 LEU HB2 5.000 . 5.000 4.111 3.787 5.453 0.453 15 0 "[ . 1 . ]" 3
83 1 42 MET HA 1 44 GLU H 5.000 . 5.000 4.720 4.548 4.806 . 0 0 "[ . 1 . ]" 3
84 2 44 GLU H 2 45 LEU HB2 5.000 . 5.000 4.099 3.757 5.456 0.456 15 0 "[ . 1 . ]" 3
85 2 42 MET HA 2 44 GLU H 5.000 . 5.000 4.714 4.533 4.786 . 0 0 "[ . 1 . ]" 3
86 1 5 THR HB 1 8 ASP H 5.000 . 5.000 3.908 3.750 4.041 . 0 0 "[ . 1 . ]" 3
87 2 5 THR HB 2 8 ASP H 5.000 . 5.000 3.912 3.750 4.057 . 0 0 "[ . 1 . ]" 3
88 1 6 LEU H 1 8 ASP H 5.000 . 5.000 4.150 4.114 4.218 . 0 0 "[ . 1 . ]" 3
89 2 6 LEU H 2 8 ASP H 5.000 . 5.000 4.156 4.105 4.189 . 0 0 "[ . 1 . ]" 3
90 1 4 VAL HB 1 47 TYR QD 5.000 . 5.000 2.967 2.075 3.375 . 0 0 "[ . 1 . ]" 3
91 2 4 VAL HB 2 47 TYR QD 5.000 . 5.000 2.875 2.065 3.257 . 0 0 "[ . 1 . ]" 3
92 1 52 CYS HB2 1 56 LEU H 5.000 . 5.000 4.762 4.573 4.911 . 0 0 "[ . 1 . ]" 3
93 1 52 CYS HB2 2 56 LEU H 5.000 . 5.000 4.652 4.531 4.786 . 0 0 "[ . 1 . ]" 3
94 1 53 ALA H 1 56 LEU HB2 5.000 . 5.000 4.315 4.220 4.800 . 0 0 "[ . 1 . ]" 3
95 1 56 LEU HB2 2 53 ALA H 5.000 . 5.000 4.352 4.260 4.412 . 0 0 "[ . 1 . ]" 3
96 1 53 ALA H 1 54 GLN HG3 5.000 . 5.000 4.492 3.784 4.745 . 0 0 "[ . 1 . ]" 3
97 2 53 ALA H 2 54 GLN HG3 5.000 . 5.000 4.562 4.474 4.704 . 0 0 "[ . 1 . ]" 3
98 1 32 ALA HA 1 36 GLU H 5.000 . 5.000 4.306 3.846 4.510 . 0 0 "[ . 1 . ]" 3
99 1 36 GLU HA 1 39 GLU H 5.000 . 5.000 3.441 3.283 3.546 . 0 0 "[ . 1 . ]" 3
100 2 32 ALA HA 2 36 GLU H 5.000 . 5.000 4.301 3.844 4.560 . 0 0 "[ . 1 . ]" 3
101 2 36 GLU HA 2 39 GLU H 5.000 . 5.000 3.429 3.286 3.619 . 0 0 "[ . 1 . ]" 3
102 1 32 ALA HA 1 33 LYS H 5.000 . 5.000 3.561 3.545 3.597 . 0 0 "[ . 1 . ]" 3
103 1 33 LYS HA 1 36 GLU H 5.000 . 5.000 3.595 3.476 3.702 . 0 0 "[ . 1 . ]" 3
104 1 24 VAL HA 1 42 MET ME 2.800 . 2.800 2.596 2.117 2.829 0.029 2 0 "[ . 1 . ]" 3
105 2 32 ALA HA 2 33 LYS H 5.000 . 5.000 3.562 3.542 3.589 . 0 0 "[ . 1 . ]" 3
106 2 33 LYS HA 2 36 GLU H 5.000 . 5.000 3.608 3.464 3.768 . 0 0 "[ . 1 . ]" 3
107 2 24 VAL HA 2 42 MET ME 2.800 . 2.800 2.589 2.131 2.855 0.055 2 0 "[ . 1 . ]" 3
108 1 42 MET HB3 1 46 ASN H 5.000 . 5.000 5.090 5.047 5.211 0.211 15 0 "[ . 1 . ]" 3
109 2 42 MET HB3 2 46 ASN H 5.000 . 5.000 5.095 5.048 5.218 0.218 7 0 "[ . 1 . ]" 3
110 3 13 DC H2'' 3 13 DC H6 5.000 . 5.000 4.307 4.089 4.467 . 0 0 "[ . 1 . ]" 3
111 4 13 DC H2'' 4 13 DC H6 5.000 . 5.000 4.300 4.083 4.466 . 0 0 "[ . 1 . ]" 3
112 1 10 ALA MB 1 15 VAL H 5.000 . 5.000 3.901 3.513 4.943 . 0 0 "[ . 1 . ]" 3
113 2 10 ALA MB 2 15 VAL H 5.000 . 5.000 3.738 3.523 4.949 . 0 0 "[ . 1 . ]" 3
114 1 7 TYR HA 1 11 GLU H 5.000 . 5.000 4.088 4.019 4.179 . 0 0 "[ . 1 . ]" 3
115 2 7 TYR HA 2 11 GLU H 5.000 . 5.000 4.083 3.971 4.147 . 0 0 "[ . 1 . ]" 3
116 1 11 GLU HA 1 15 VAL H 5.300 2.100 5.300 4.329 3.800 5.546 0.246 15 0 "[ . 1 . ]" 3
117 2 11 GLU HA 2 15 VAL H 5.300 2.100 5.300 4.140 3.759 5.513 0.213 1 0 "[ . 1 . ]" 3
118 1 45 LEU HB2 1 47 TYR H 6.000 2.800 6.000 3.769 3.264 4.868 . 0 0 "[ . 1 . ]" 3
119 2 45 LEU HB2 2 47 TYR H 6.000 2.800 6.000 3.746 3.359 4.797 . 0 0 "[ . 1 . ]" 3
120 2 57 ALA MB 3 14 DT H3 5.000 . 5.000 4.883 4.594 5.014 0.014 6 0 "[ . 1 . ]" 3
121 1 56 LEU HG 3 12 DG H1 5.000 . 5.000 4.479 4.311 4.550 . 0 0 "[ . 1 . ]" 3
122 2 57 ALA MB 3 12 DG H1 5.000 . 5.000 4.019 3.900 4.389 . 0 0 "[ . 1 . ]" 3
123 1 56 LEU HB3 3 12 DG H1 5.000 . 5.000 4.606 4.493 4.667 . 0 0 "[ . 1 . ]" 3
124 1 53 ALA MB 3 12 DG H1 5.000 . 5.000 5.013 4.980 5.048 0.048 4 0 "[ . 1 . ]" 3
125 2 57 ALA MB 4 10 DG H1 5.000 . 5.000 4.315 4.049 4.560 . 0 0 "[ . 1 . ]" 3
126 2 29 HIS HB3 4 4 DT H6 5.000 . 5.000 3.453 3.341 3.801 . 0 0 "[ . 1 . ]" 3
127 2 29 HIS HB2 4 4 DT H6 5.000 . 5.000 5.085 4.875 5.173 0.173 3 0 "[ . 1 . ]" 3
128 1 57 ALA MB 4 11 DC H1' 5.000 . 5.000 4.329 4.191 4.394 . 0 0 "[ . 1 . ]" 3
129 2 50 ASN HB2 3 12 DG H4' 3.400 . 3.400 2.768 1.965 3.145 . 0 0 "[ . 1 . ]" 3
130 2 50 ASN HD21 3 12 DG H4' 5.000 . 5.000 1.876 1.755 2.184 0.045 8 0 "[ . 1 . ]" 3
131 2 50 ASN H 3 12 DG H4' 5.000 . 5.000 4.571 3.896 5.011 0.011 4 0 "[ . 1 . ]" 3
132 1 53 ALA MB 3 12 DG H1' 2.800 . 2.800 1.985 1.867 2.141 . 0 0 "[ . 1 . ]" 3
133 1 53 ALA MB 3 12 DG H4' 3.400 . 3.400 3.071 2.757 3.250 . 0 0 "[ . 1 . ]" 3
134 1 54 GLN H 3 13 DC H4' 3.400 . 3.400 3.184 3.013 3.313 . 0 0 "[ . 1 . ]" 3
135 2 47 TYR HH 3 13 DC H5'' 5.000 . 5.000 2.912 2.556 3.967 . 0 0 "[ . 1 . ]" 3
136 1 53 ALA H 3 13 DC H1' 3.400 . 3.400 2.648 2.306 3.028 . 0 0 "[ . 1 . ]" 3
137 1 53 ALA MB 3 13 DC H5' 5.000 . 5.000 2.613 2.225 3.903 . 0 0 "[ . 1 . ]" 3
138 1 53 ALA MB 3 13 DC H6 5.000 . 5.000 4.172 3.980 4.346 . 0 0 "[ . 1 . ]" 3
139 1 57 ALA MB 3 13 DC H1' 3.400 . 3.400 2.406 2.199 2.646 . 0 0 "[ . 1 . ]" 3
140 2 57 ALA MB 3 14 DT H1' 5.000 . 5.000 3.412 2.588 3.935 . 0 0 "[ . 1 . ]" 3
141 2 57 ALA MB 3 14 DT H4' 3.400 . 3.400 3.110 2.819 3.406 0.006 7 0 "[ . 1 . ]" 3
142 2 58 GLY H 3 14 DT H4' 5.000 . 5.000 3.951 3.497 4.364 . 0 0 "[ . 1 . ]" 3
143 1 57 ALA MB 4 14 DT H3 5.000 . 5.000 4.837 4.566 5.026 0.026 15 0 "[ . 1 . ]" 3
144 1 56 LEU HG 4 12 DG H1 5.000 . 5.000 4.423 4.183 4.515 . 0 0 "[ . 1 . ]" 3
145 1 57 ALA MB 4 12 DG H1 5.000 . 5.000 4.051 3.905 4.409 . 0 0 "[ . 1 . ]" 3
146 1 56 LEU HB3 4 12 DG H1 5.000 . 5.000 4.436 4.342 4.509 . 0 0 "[ . 1 . ]" 3
147 1 53 ALA MB 4 12 DG H1 5.000 . 5.000 5.010 4.954 5.063 0.063 12 0 "[ . 1 . ]" 3
148 1 57 ALA MB 3 10 DG H1 5.000 . 5.000 4.310 4.018 4.504 . 0 0 "[ . 1 . ]" 3
149 1 29 HIS HB3 3 4 DT H6 5.000 . 5.000 3.466 3.340 3.825 . 0 0 "[ . 1 . ]" 3
150 1 29 HIS HB2 3 4 DT H6 5.000 . 5.000 5.099 4.938 5.204 0.204 4 0 "[ . 1 . ]" 3
151 1 57 ALA MB 3 11 DC H1' 5.000 . 5.000 4.357 4.231 4.448 . 0 0 "[ . 1 . ]" 3
152 1 50 ASN HB2 4 12 DG H4' 3.400 . 3.400 2.714 2.005 3.039 . 0 0 "[ . 1 . ]" 3
153 1 50 ASN HD21 4 12 DG H4' 5.000 . 5.000 1.814 1.752 2.040 0.048 3 0 "[ . 1 . ]" 3
154 1 50 ASN H 4 12 DG H4' 5.000 . 5.000 4.531 3.947 4.993 . 0 0 "[ . 1 . ]" 3
155 1 53 ALA MB 4 12 DG H1' 2.800 . 2.800 1.941 1.824 2.062 . 0 0 "[ . 1 . ]" 3
156 1 53 ALA MB 4 12 DG H4' 3.400 . 3.400 3.049 2.802 3.223 . 0 0 "[ . 1 . ]" 3
157 1 54 GLN H 4 13 DC H4' 3.400 . 3.400 3.185 3.048 3.319 . 0 0 "[ . 1 . ]" 3
158 1 47 TYR HH 4 13 DC H5'' 5.000 . 5.000 2.932 2.477 3.836 . 0 0 "[ . 1 . ]" 3
159 1 53 ALA MB 4 13 DC H1' 3.400 . 3.400 2.674 2.428 3.149 . 0 0 "[ . 1 . ]" 3
160 1 53 ALA MB 4 13 DC H5' 5.000 . 5.000 2.674 2.216 3.829 . 0 0 "[ . 1 . ]" 3
161 1 53 ALA MB 4 13 DC H6 5.000 . 5.000 4.145 3.976 4.266 . 0 0 "[ . 1 . ]" 3
162 1 57 ALA MB 4 13 DC H1' 3.400 . 3.400 2.422 2.175 2.637 . 0 0 "[ . 1 . ]" 3
163 1 57 ALA MB 4 14 DT H1' 5.000 . 5.000 3.341 2.387 3.867 . 0 0 "[ . 1 . ]" 3
164 1 57 ALA MB 4 14 DT H4' 3.400 . 3.400 3.046 2.706 3.302 . 0 0 "[ . 1 . ]" 3
165 1 58 GLY H 4 14 DT H4' 5.000 . 5.000 3.939 3.414 4.316 . 0 0 "[ . 1 . ]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 70
_Distance_constraint_stats_list.Viol_count 150
_Distance_constraint_stats_list.Viol_total 209.358
_Distance_constraint_stats_list.Viol_max 0.301
_Distance_constraint_stats_list.Viol_rms 0.0353
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0117
_Distance_constraint_stats_list.Viol_average_violations_only 0.0872
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 7 TYR 0.012 0.012 8 0 "[ . 1 . ]"
1 19 THR 2.270 0.178 9 0 "[ . 1 . ]"
1 29 HIS 1.041 0.092 9 0 "[ . 1 . ]"
1 30 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 47 TYR 0.527 0.301 13 0 "[ . 1 . ]"
1 53 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 54 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 56 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 57 ALA 2.296 0.136 14 0 "[ . 1 . ]"
2 7 TYR 0.000 0.000 . 0 "[ . 1 . ]"
2 19 THR 2.512 0.202 16 0 "[ . 1 . ]"
2 29 HIS 1.216 0.090 1 0 "[ . 1 . ]"
2 30 VAL 0.000 0.000 . 0 "[ . 1 . ]"
2 47 TYR 0.000 0.000 . 0 "[ . 1 . ]"
2 53 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 54 GLN 0.000 0.000 . 0 "[ . 1 . ]"
2 56 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 57 ALA 3.210 0.163 15 0 "[ . 1 . ]"
3 3 DA 0.550 0.092 9 0 "[ . 1 . ]"
3 4 DT 0.492 0.083 8 0 "[ . 1 . ]"
3 5 DT 2.270 0.178 9 0 "[ . 1 . ]"
3 11 DC 1.613 0.136 14 0 "[ . 1 . ]"
3 12 DG 2.364 0.163 15 0 "[ . 1 . ]"
3 13 DC 0.000 0.000 . 0 "[ . 1 . ]"
3 14 DT 0.059 0.059 15 0 "[ . 1 . ]"
4 3 DA 0.677 0.079 1 0 "[ . 1 . ]"
4 4 DT 0.539 0.090 1 0 "[ . 1 . ]"
4 5 DT 2.512 0.202 16 0 "[ . 1 . ]"
4 11 DC 1.426 0.139 14 0 "[ . 1 . ]"
4 12 DG 2.364 0.163 15 0 "[ . 1 . ]"
4 13 DC 0.539 0.301 13 0 "[ . 1 . ]"
4 14 DT 0.045 0.045 15 0 "[ . 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 53 ALA MB 4 12 DG H3' 5.000 . 5.000 4.538 4.444 4.580 . 0 0 "[ . 1 . ]" 4
2 1 53 ALA MB 4 13 DC H4' 2.800 . 2.800 2.134 2.044 2.248 . 0 0 "[ . 1 . ]" 4
3 1 53 ALA MB 4 13 DC H2'' 5.000 . 5.000 4.401 4.097 4.868 . 0 0 "[ . 1 . ]" 4
4 1 53 ALA MB 4 12 DG H2' 5.000 . 5.000 4.323 4.273 4.405 . 0 0 "[ . 1 . ]" 4
5 1 53 ALA MB 4 12 DG H2'' 5.000 . 5.000 3.755 3.680 3.839 . 0 0 "[ . 1 . ]" 4
6 1 56 LEU HG 3 11 DC H1' 5.000 . 5.000 2.549 2.343 2.793 . 0 0 "[ . 1 . ]" 4
7 1 57 ALA HA 3 11 DC H1' 3.400 . 3.400 2.894 2.749 3.008 . 0 0 "[ . 1 . ]" 4
8 1 57 ALA MB 4 13 DC H2'' 5.000 . 5.000 2.561 2.223 3.116 . 0 0 "[ . 1 . ]" 4
9 1 57 ALA MB 4 13 DC H4' 5.000 . 5.000 3.975 3.715 4.213 . 0 0 "[ . 1 . ]" 4
10 1 57 ALA MB 4 13 DC H2' 5.000 . 5.000 3.837 3.401 4.406 . 0 0 "[ . 1 . ]" 4
11 1 57 ALA MB 4 14 DT H3' 5.000 . 5.000 4.746 4.582 4.908 . 0 0 "[ . 1 . ]" 4
12 1 57 ALA H 3 12 DG H1 5.000 . 5.000 5.040 5.010 5.078 0.078 15 0 "[ . 1 . ]" 4
13 1 57 ALA MB 4 13 DC H3' 5.000 . 5.000 4.673 4.450 4.847 . 0 0 "[ . 1 . ]" 4
14 1 54 GLN HA 4 13 DC H1' 5.000 . 5.000 4.100 3.840 4.309 . 0 0 "[ . 1 . ]" 4
15 1 54 GLN HA 4 13 DC H4' 5.000 . 5.000 3.037 2.764 3.185 . 0 0 "[ . 1 . ]" 4
16 1 54 GLN HG2 4 13 DC H4' 5.000 . 5.000 2.575 2.399 2.790 . 0 0 "[ . 1 . ]" 4
17 1 54 GLN HG3 4 13 DC H4' 5.000 . 5.000 3.178 2.988 3.411 . 0 0 "[ . 1 . ]" 4
18 1 56 LEU HG 3 11 DC H2'' 5.000 . 5.000 2.926 2.666 3.476 . 0 0 "[ . 1 . ]" 4
19 1 57 ALA HA 3 11 DC H4' 5.000 . 5.000 5.101 5.051 5.136 0.136 14 0 "[ . 1 . ]" 4
20 2 53 ALA MB 3 12 DG H3' 5.000 . 5.000 4.566 4.489 4.619 . 0 0 "[ . 1 . ]" 4
21 2 53 ALA MB 3 13 DC H4' 2.800 . 2.800 2.157 2.054 2.284 . 0 0 "[ . 1 . ]" 4
22 2 53 ALA MB 3 13 DC H2'' 5.000 . 5.000 4.380 4.009 4.791 . 0 0 "[ . 1 . ]" 4
23 2 53 ALA MB 3 12 DG H2' 5.000 . 5.000 4.357 4.319 4.444 . 0 0 "[ . 1 . ]" 4
24 2 53 ALA MB 3 12 DG H2'' 5.000 . 5.000 3.778 3.704 3.913 . 0 0 "[ . 1 . ]" 4
25 2 56 LEU HG 3 11 DC H1' 5.000 . 5.000 2.663 2.414 2.881 . 0 0 "[ . 1 . ]" 4
26 2 57 ALA HA 3 11 DC H1' 3.400 . 3.400 2.865 2.709 2.956 . 0 0 "[ . 1 . ]" 4
27 2 57 ALA MB 3 13 DC H2'' 5.000 . 5.000 2.559 2.200 3.047 . 0 0 "[ . 1 . ]" 4
28 2 57 ALA MB 3 13 DC H4' 5.000 . 5.000 3.939 3.748 4.183 . 0 0 "[ . 1 . ]" 4
29 2 57 ALA MB 3 13 DC H2' 5.000 . 5.000 3.832 3.378 4.320 . 0 0 "[ . 1 . ]" 4
30 2 57 ALA MB 3 14 DT H3' 5.000 . 5.000 4.817 4.666 4.902 . 0 0 "[ . 1 . ]" 4
31 2 57 ALA H 3 12 DG H1 5.000 . 5.000 5.108 5.077 5.163 0.163 15 0 "[ . 1 . ]" 4
32 2 57 ALA MB 3 13 DC H3' 5.000 . 5.000 4.682 4.500 4.805 . 0 0 "[ . 1 . ]" 4
33 2 54 GLN HA 3 13 DC H1' 5.000 . 5.000 4.141 3.867 4.398 . 0 0 "[ . 1 . ]" 4
34 2 54 GLN HA 3 13 DC H4' 5.000 . 5.000 3.014 2.810 3.212 . 0 0 "[ . 1 . ]" 4
35 2 54 GLN HG2 3 13 DC H4' 5.000 . 5.000 2.623 2.395 2.831 . 0 0 "[ . 1 . ]" 4
36 2 54 GLN HG3 3 13 DC H4' 5.000 . 5.000 3.227 2.968 3.461 . 0 0 "[ . 1 . ]" 4
37 2 56 LEU HG 3 11 DC H2'' 5.000 . 5.000 3.035 2.669 3.512 . 0 0 "[ . 1 . ]" 4
38 2 57 ALA HA 4 11 DC H4' 5.000 . 5.000 5.089 5.051 5.139 0.139 14 0 "[ . 1 . ]" 4
39 1 57 ALA MB 4 14 DT Q5' 3.400 . 3.400 2.379 2.062 3.445 0.045 15 0 "[ . 1 . ]" 4
40 2 57 ALA MB 3 14 DT Q5' 3.400 . 3.400 2.418 2.063 3.459 0.059 15 0 "[ . 1 . ]" 4
41 1 7 TYR QE 4 12 DG H2' 6.000 2.800 6.000 3.216 2.830 3.754 . 0 0 "[ . 1 . ]" 4
42 1 7 TYR QD 4 12 DG H2'' 6.000 2.800 6.000 4.377 4.130 5.438 . 0 0 "[ . 1 . ]" 4
43 1 7 TYR QE 4 12 DG H2'' 6.000 2.800 6.000 3.987 3.598 4.346 . 0 0 "[ . 1 . ]" 4
44 1 7 TYR QD 4 12 DG H8 6.000 2.800 6.000 4.898 4.670 5.517 . 0 0 "[ . 1 . ]" 4
45 1 7 TYR QE 4 12 DG H8 6.000 2.800 6.000 3.349 2.998 4.084 . 0 0 "[ . 1 . ]" 4
46 1 7 TYR QE 4 13 DC H41 6.000 2.800 6.000 4.633 4.442 4.864 . 0 0 "[ . 1 . ]" 4
47 1 7 TYR QE 4 13 DC H42 6.000 2.800 6.000 3.126 2.788 3.391 0.012 8 0 "[ . 1 . ]" 4
48 1 7 TYR QD 4 13 DC H5 6.000 2.800 6.000 3.912 3.635 4.221 . 0 0 "[ . 1 . ]" 4
49 1 7 TYR QE 4 13 DC H5 2.800 . 2.800 1.992 1.821 2.169 . 0 0 "[ . 1 . ]" 4
50 2 7 TYR QE 3 12 DG H2' 6.000 2.800 6.000 3.185 2.806 3.780 . 0 0 "[ . 1 . ]" 4
51 2 7 TYR QD 3 12 DG H2'' 6.000 2.800 6.000 4.387 4.102 5.475 . 0 0 "[ . 1 . ]" 4
52 2 7 TYR QE 3 12 DG H2'' 6.000 2.800 6.000 3.998 3.694 4.258 . 0 0 "[ . 1 . ]" 4
53 2 7 TYR QD 3 12 DG H8 6.000 2.800 6.000 4.787 4.561 5.503 . 0 0 "[ . 1 . ]" 4
54 2 7 TYR QE 3 12 DG H8 6.000 2.800 6.000 3.205 2.854 3.830 . 0 0 "[ . 1 . ]" 4
55 2 7 TYR QE 3 13 DC H41 6.000 2.800 6.000 4.625 4.437 4.824 . 0 0 "[ . 1 . ]" 4
56 2 7 TYR QE 3 13 DC H42 6.000 2.800 6.000 3.129 2.819 3.396 . 0 0 "[ . 1 . ]" 4
57 2 7 TYR QD 3 13 DC H5 6.000 2.800 6.000 3.912 3.643 4.246 . 0 0 "[ . 1 . ]" 4
58 2 7 TYR QE 3 13 DC H5 2.800 . 2.800 2.013 1.806 2.212 . 0 0 "[ . 1 . ]" 4
59 2 47 TYR HH 3 13 DC H5' 6.000 2.800 6.000 3.862 2.855 4.177 . 0 0 "[ . 1 . ]" 4
60 1 47 TYR HH 4 13 DC H5' 6.000 2.800 6.000 3.754 2.499 4.215 0.301 13 0 "[ . 1 . ]" 4
61 2 53 ALA HA 3 12 DG H1 6.000 2.800 6.000 5.380 5.319 5.466 . 0 0 "[ . 1 . ]" 4
62 1 53 ALA HA 4 12 DG H1 6.000 2.800 6.000 5.280 5.191 5.397 . 0 0 "[ . 1 . ]" 4
63 1 19 THR H 3 5 DT H3' 5.000 . 5.000 5.142 5.098 5.178 0.178 9 0 "[ . 1 . ]" 4
64 2 19 THR H 4 5 DT H3' 5.000 . 5.000 5.157 5.112 5.202 0.202 16 0 "[ . 1 . ]" 4
65 1 30 VAL HA 3 4 DT H3' 5.000 . 5.000 2.490 2.003 3.239 . 0 0 "[ . 1 . ]" 4
66 2 30 VAL HA 4 4 DT H3' 5.000 . 5.000 2.543 2.001 3.070 . 0 0 "[ . 1 . ]" 4
67 1 29 HIS HD2 3 4 DT Q5' 6.000 2.800 6.000 5.968 5.563 6.083 0.083 8 0 "[ . 1 . ]" 4
68 2 29 HIS HD2 4 4 DT Q5' 6.000 2.800 6.000 5.960 5.513 6.090 0.090 1 0 "[ . 1 . ]" 4
69 1 29 HIS HE1 3 3 DA H3' 5.000 . 5.000 5.022 4.899 5.092 0.092 9 0 "[ . 1 . ]" 4
70 2 29 HIS HE1 4 3 DA H3' 5.000 . 5.000 5.040 4.976 5.079 0.079 1 0 "[ . 1 . ]" 4
stop_
save_
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