NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
476363 |
1tf3   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1tf3
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 1310
_Distance_constraint_stats_list.Viol_count 365
_Distance_constraint_stats_list.Viol_total 696.374
_Distance_constraint_stats_list.Viol_max 0.328
_Distance_constraint_stats_list.Viol_rms 0.0140
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0867
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 DT 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 2 DT 2.245 0.113 16 0 "[ . 1 . 2 ]"
1 3 DG 2.390 0.113 16 0 "[ . 1 . 2 ]"
1 4 DG 0.145 0.035 1 0 "[ . 1 . 2 ]"
1 5 DA 2.436 0.328 19 0 "[ . 1 . 2 ]"
1 6 DT 2.676 0.328 19 0 "[ . 1 . 2 ]"
1 7 DG 0.240 0.059 16 0 "[ . 1 . 2 ]"
1 8 DG 0.265 0.043 12 0 "[ . 1 . 2 ]"
1 9 DG 3.468 0.211 16 0 "[ . 1 . 2 ]"
1 10 DA 3.371 0.211 16 0 "[ . 1 . 2 ]"
1 11 DG 0.192 0.053 1 0 "[ . 1 . 2 ]"
1 12 DA 0.218 0.040 1 0 "[ . 1 . 2 ]"
1 13 DC 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 14 DC 1.877 0.114 2 0 "[ . 1 . 2 ]"
1 15 DG 1.877 0.114 2 0 "[ . 1 . 2 ]"
2 1 DC 0.666 0.099 14 0 "[ . 1 . 2 ]"
2 2 DG 6.136 0.328 14 0 "[ . 1 . 2 ]"
2 3 DG 2.778 0.327 16 0 "[ . 1 . 2 ]"
2 4 DT 2.753 0.327 16 0 "[ . 1 . 2 ]"
2 5 DC 0.194 0.040 1 0 "[ . 1 . 2 ]"
2 6 DT 1.036 0.184 12 0 "[ . 1 . 2 ]"
2 7 DC 0.791 0.088 7 0 "[ . 1 . 2 ]"
2 8 DC 0.791 0.088 7 0 "[ . 1 . 2 ]"
2 9 DC 0.685 0.059 8 0 "[ . 1 . 2 ]"
2 10 DA 1.669 0.127 7 0 "[ . 1 . 2 ]"
2 11 DT 0.984 0.127 7 0 "[ . 1 . 2 ]"
2 12 DC 1.036 0.184 12 0 "[ . 1 . 2 ]"
2 13 DC 2.129 0.070 12 0 "[ . 1 . 2 ]"
2 14 DA 8.466 0.325 16 0 "[ . 1 . 2 ]"
2 15 DA 6.351 0.325 16 0 "[ . 1 . 2 ]"
3 2 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 3 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 4 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 5 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 6 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 7 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 8 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 9 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 10 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 11 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 12 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 13 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 14 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 15 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 16 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 17 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 18 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 19 TRP 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 20 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 21 LEU 0.017 0.010 13 0 "[ . 1 . 2 ]"
3 22 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 23 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 24 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 25 LEU 0.017 0.010 13 0 "[ . 1 . 2 ]"
3 26 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 27 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 28 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 29 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 30 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 31 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 32 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 33 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 34 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 35 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 36 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 37 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 38 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 39 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 40 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 41 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 42 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 43 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 44 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 45 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 46 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 47 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 48 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 49 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 50 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 51 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 52 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 53 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 54 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 55 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 56 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 57 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 58 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 59 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 60 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 61 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 62 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 63 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 64 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 65 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 66 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 67 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 68 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 69 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 70 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 71 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 72 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 73 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 74 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 75 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 76 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 77 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 78 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 79 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 80 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 81 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 82 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 83 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 84 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 85 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 86 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 87 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 88 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 89 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 90 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 91 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
3 92 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
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 2 LYS HA 3 2 LYS QG 3.330 . 3.830 2.467 2.150 2.994 . 0 0 "[ . 1 . 2 ]" 1
2 3 2 LYS QB 3 2 LYS QD 3.110 . 3.610 2.316 2.121 2.472 . 0 0 "[ . 1 . 2 ]" 1
3 3 2 LYS HA 3 3 ARG H 3.000 . 3.500 2.271 2.061 2.598 . 0 0 "[ . 1 . 2 ]" 1
4 3 2 LYS HA 3 3 ARG QD 4.410 . 4.910 3.547 2.715 4.002 . 0 0 "[ . 1 . 2 ]" 1
5 3 2 LYS QG 3 4 TYR H 5.470 . 5.970 4.794 4.417 5.036 . 0 0 "[ . 1 . 2 ]" 1
6 3 3 ARG H 3 3 ARG HB2 4.000 . 4.500 2.563 2.209 3.758 . 0 0 "[ . 1 . 2 ]" 1
7 3 3 ARG H 3 3 ARG QG 4.410 . 4.910 3.675 3.338 4.008 . 0 0 "[ . 1 . 2 ]" 1
8 3 3 ARG HA 3 3 ARG HB2 3.000 . 3.500 3.023 2.996 3.045 . 0 0 "[ . 1 . 2 ]" 1
9 3 3 ARG HA 3 3 ARG QD 3.330 . 3.830 2.704 2.285 3.086 . 0 0 "[ . 1 . 2 ]" 1
10 3 3 ARG HB2 3 3 ARG QD 3.330 . 3.830 2.638 2.369 3.075 . 0 0 "[ . 1 . 2 ]" 1
11 3 3 ARG HA 3 4 TYR H 4.000 . 4.500 2.269 2.112 3.170 . 0 0 "[ . 1 . 2 ]" 1
12 3 3 ARG HA 3 4 TYR HB2 5.000 . 5.500 4.668 4.428 4.990 . 0 0 "[ . 1 . 2 ]" 1
13 3 3 ARG HB2 3 4 TYR H 5.000 . 5.500 4.194 2.563 4.664 . 0 0 "[ . 1 . 2 ]" 1
14 3 3 ARG HB3 3 14 ALA MB 3.520 . 4.020 2.280 2.106 2.958 . 0 0 "[ . 1 . 2 ]" 1
15 3 3 ARG QD 3 14 ALA MB 6.210 . 6.710 4.530 3.938 4.729 . 0 0 "[ . 1 . 2 ]" 1
16 3 3 ARG HB2 3 15 TYR HA 5.500 . 6.000 5.308 4.625 5.577 . 0 0 "[ . 1 . 2 ]" 1
17 3 3 ARG QG 3 15 TYR HB3 5.470 . 5.970 4.798 4.588 4.944 . 0 0 "[ . 1 . 2 ]" 1
18 3 3 ARG HA 3 16 ASN HA 4.000 . 4.500 2.367 2.031 3.284 . 0 0 "[ . 1 . 2 ]" 1
19 3 3 ARG HA 3 16 ASN HB2 5.000 . 5.500 4.095 2.144 5.082 . 0 0 "[ . 1 . 2 ]" 1
20 3 3 ARG HA 3 16 ASN HB3 5.000 . 5.500 4.180 2.494 5.079 . 0 0 "[ . 1 . 2 ]" 1
21 3 4 TYR H 3 4 TYR HB3 4.000 . 4.500 3.628 3.547 3.933 . 0 0 "[ . 1 . 2 ]" 1
22 3 4 TYR H 3 4 TYR QD 4.480 . 4.980 2.597 2.063 3.352 . 0 0 "[ . 1 . 2 ]" 1
23 3 4 TYR HA 3 4 TYR QE 5.590 . 6.090 4.783 4.575 4.958 . 0 0 "[ . 1 . 2 ]" 1
24 3 4 TYR HA 3 5 ILE H 3.000 . 3.500 2.249 2.160 2.320 . 0 0 "[ . 1 . 2 ]" 1
25 3 4 TYR H 3 16 ASN H 5.000 . 5.500 4.449 2.006 5.105 . 0 0 "[ . 1 . 2 ]" 1
26 3 4 TYR QD 3 16 ASN HA 4.480 . 4.980 3.572 2.993 4.109 . 0 0 "[ . 1 . 2 ]" 1
27 3 4 TYR QD 3 17 LYS H 5.590 . 6.090 4.517 3.194 5.011 . 0 0 "[ . 1 . 2 ]" 1
28 3 4 TYR QE 3 17 LYS HA 5.590 . 6.090 3.646 2.262 4.981 . 0 0 "[ . 1 . 2 ]" 1
29 3 4 TYR QD 3 18 ASN HA 5.590 . 6.090 3.159 2.640 3.561 . 0 0 "[ . 1 . 2 ]" 1
30 3 4 TYR QE 3 18 ASN HA 5.590 . 6.090 3.575 2.928 4.240 . 0 0 "[ . 1 . 2 ]" 1
31 3 4 TYR QE 3 18 ASN HB2 4.480 . 4.980 2.924 2.347 3.841 . 0 0 "[ . 1 . 2 ]" 1
32 3 4 TYR QE 3 18 ASN HB3 5.590 . 6.090 4.344 3.772 5.000 . 0 0 "[ . 1 . 2 ]" 1
33 3 4 TYR HA 3 21 LEU QD 6.250 . 6.750 3.947 3.609 4.236 . 0 0 "[ . 1 . 2 ]" 1
34 3 4 TYR HB2 3 21 LEU QD 3.750 . 4.250 2.520 2.126 2.821 . 0 0 "[ . 1 . 2 ]" 1
35 3 4 TYR HB3 3 21 LEU QD 5.000 . 5.500 2.262 2.053 2.699 . 0 0 "[ . 1 . 2 ]" 1
36 3 4 TYR QD 3 21 LEU QD 5.590 . 6.090 3.382 3.072 3.594 . 0 0 "[ . 1 . 2 ]" 1
37 3 4 TYR QE 3 21 LEU QD 7.650 . 8.150 4.831 4.506 5.075 . 0 0 "[ . 1 . 2 ]" 1
38 2 2 DG H3' 3 4 TYR QE 5.040 . 5.540 2.757 2.126 3.677 . 0 0 "[ . 1 . 2 ]" 1
39 3 5 ILE H 3 5 ILE HB 4.000 . 4.500 2.559 2.441 2.608 . 0 0 "[ . 1 . 2 ]" 1
40 3 5 ILE H 3 5 ILE QG 4.410 . 4.910 2.603 2.189 3.686 . 0 0 "[ . 1 . 2 ]" 1
41 3 5 ILE HA 3 5 ILE QG . . 3.830 2.360 2.278 2.545 . 0 0 "[ . 1 . 2 ]" 1
42 3 5 ILE HA 3 5 ILE MG 3.520 . 4.020 2.352 2.311 2.429 . 0 0 "[ . 1 . 2 ]" 1
43 3 5 ILE HB 3 5 ILE MD 3.520 . 4.020 2.605 2.364 2.696 . 0 0 "[ . 1 . 2 ]" 1
44 3 5 ILE HA 3 6 CYS H 3.000 . 3.500 2.175 2.151 2.221 . 0 0 "[ . 1 . 2 ]" 1
45 3 5 ILE HB 3 6 CYS H 5.000 . 5.500 3.964 3.841 4.135 . 0 0 "[ . 1 . 2 ]" 1
46 3 5 ILE QG 3 6 CYS H 5.470 . 5.970 4.067 3.880 4.248 . 0 0 "[ . 1 . 2 ]" 1
47 3 5 ILE MG 3 6 CYS H 4.620 . 5.120 2.310 2.158 2.592 . 0 0 "[ . 1 . 2 ]" 1
48 3 5 ILE MG 3 12 GLY QA 5.080 . 5.580 3.347 2.182 3.775 . 0 0 "[ . 1 . 2 ]" 1
49 3 5 ILE HA 3 14 ALA HA 3.000 . 3.500 2.242 2.124 2.351 . 0 0 "[ . 1 . 2 ]" 1
50 3 5 ILE HA 3 14 ALA MB 3.520 . 4.020 2.512 2.276 2.935 . 0 0 "[ . 1 . 2 ]" 1
51 3 5 ILE QG 3 14 ALA HA 5.470 . 5.970 3.574 3.071 4.080 . 0 0 "[ . 1 . 2 ]" 1
52 3 5 ILE QG 3 14 ALA MB 3.910 . 4.410 2.116 2.034 2.270 . 0 0 "[ . 1 . 2 ]" 1
53 3 5 ILE MD 3 14 ALA HA 5.690 . 6.190 4.697 4.048 4.813 . 0 0 "[ . 1 . 2 ]" 1
54 3 5 ILE MD 3 14 ALA MB 4.120 . 4.620 2.859 2.523 2.926 . 0 0 "[ . 1 . 2 ]" 1
55 3 5 ILE MG 3 14 ALA HA 4.620 . 5.120 3.656 3.303 3.905 . 0 0 "[ . 1 . 2 ]" 1
56 3 5 ILE MG 3 14 ALA MB 4.120 . 4.620 2.517 2.352 2.877 . 0 0 "[ . 1 . 2 ]" 1
57 3 5 ILE H 3 21 LEU QD 5.000 . 5.500 3.633 3.147 3.752 . 0 0 "[ . 1 . 2 ]" 1
58 3 5 ILE HA 3 21 LEU QD 5.000 . 5.500 3.301 3.042 3.469 . 0 0 "[ . 1 . 2 ]" 1
59 3 5 ILE MG 3 21 LEU QD 7.010 . 7.510 4.127 3.900 4.229 . 0 0 "[ . 1 . 2 ]" 1
60 3 6 CYS H 3 6 CYS HB2 4.000 . 4.500 2.572 2.438 2.656 . 0 0 "[ . 1 . 2 ]" 1
61 3 6 CYS H 3 6 CYS HB3 4.000 . 4.500 2.254 2.146 2.381 . 0 0 "[ . 1 . 2 ]" 1
62 3 6 CYS HA 3 6 CYS HB2 3.000 . 3.500 2.372 2.331 2.421 . 0 0 "[ . 1 . 2 ]" 1
63 3 6 CYS HA 3 6 CYS HB3 3.000 . 3.500 3.020 3.010 3.029 . 0 0 "[ . 1 . 2 ]" 1
64 3 6 CYS HA 3 7 SER H 3.000 . 3.500 2.157 2.115 2.196 . 0 0 "[ . 1 . 2 ]" 1
65 3 6 CYS HA 3 8 PHE H 5.000 . 5.500 4.032 3.862 4.622 . 0 0 "[ . 1 . 2 ]" 1
66 3 6 CYS HA 3 13 ALA MB 5.690 . 6.190 4.444 4.376 4.561 . 0 0 "[ . 1 . 2 ]" 1
67 3 6 CYS HB2 3 13 ALA H 5.000 . 5.500 3.673 3.155 3.882 . 0 0 "[ . 1 . 2 ]" 1
68 3 6 CYS HB2 3 13 ALA MB 3.520 . 4.020 2.307 2.257 2.367 . 0 0 "[ . 1 . 2 ]" 1
69 3 6 CYS HB3 3 13 ALA H 4.000 . 4.500 2.516 2.019 2.779 . 0 0 "[ . 1 . 2 ]" 1
70 3 6 CYS HB3 3 13 ALA MB 3.520 . 4.020 2.589 2.432 2.898 . 0 0 "[ . 1 . 2 ]" 1
71 3 6 CYS H 3 14 ALA HA 5.000 . 5.500 3.096 2.962 3.217 . 0 0 "[ . 1 . 2 ]" 1
72 3 6 CYS H 3 21 LEU QD 5.000 . 5.500 2.962 2.765 3.107 . 0 0 "[ . 1 . 2 ]" 1
73 3 6 CYS HA 3 21 LEU QD . . 4.250 2.123 2.026 2.261 . 0 0 "[ . 1 . 2 ]" 1
74 3 6 CYS HB2 3 21 LEU QD 5.000 . 5.500 2.578 2.428 2.687 . 0 0 "[ . 1 . 2 ]" 1
75 3 6 CYS HB3 3 21 LEU QD 5.000 . 5.500 3.732 3.654 3.760 . 0 0 "[ . 1 . 2 ]" 1
76 3 6 CYS HA 3 24 HIS HD2 5.000 . 5.500 4.270 3.946 4.516 . 0 0 "[ . 1 . 2 ]" 1
77 3 6 CYS HB2 3 24 HIS HD2 5.000 . 5.500 3.175 2.648 3.472 . 0 0 "[ . 1 . 2 ]" 1
78 3 6 CYS HA 3 25 LEU HG 5.000 . 5.500 3.923 3.423 4.844 . 0 0 "[ . 1 . 2 ]" 1
79 3 6 CYS HA 3 25 LEU QD 3.750 . 4.250 2.386 2.121 2.690 . 0 0 "[ . 1 . 2 ]" 1
80 3 7 SER H 3 8 PHE H 4.000 . 4.500 2.961 2.755 3.067 . 0 0 "[ . 1 . 2 ]" 1
81 3 7 SER HA 3 8 PHE H 4.000 . 4.500 3.546 3.489 3.570 . 0 0 "[ . 1 . 2 ]" 1
82 3 7 SER H 3 25 LEU QD . . 4.250 2.205 1.992 2.578 . 0 0 "[ . 1 . 2 ]" 1
83 3 7 SER HA 3 25 LEU QD 6.250 . 6.750 4.277 4.082 4.665 . 0 0 "[ . 1 . 2 ]" 1
84 3 7 SER QB 3 25 LEU QD 6.780 . 7.280 3.075 2.612 3.677 . 0 0 "[ . 1 . 2 ]" 1
85 3 8 PHE H 3 8 PHE HB2 3.000 . 3.500 2.508 2.411 2.676 . 0 0 "[ . 1 . 2 ]" 1
86 3 8 PHE H 3 8 PHE HB3 4.000 . 4.500 3.588 3.575 3.684 . 0 0 "[ . 1 . 2 ]" 1
87 3 8 PHE H 3 8 PHE QD 4.480 . 4.980 2.346 2.201 2.598 . 0 0 "[ . 1 . 2 ]" 1
88 3 8 PHE HA 3 8 PHE HB2 3.000 . 3.500 3.032 3.016 3.036 . 0 0 "[ . 1 . 2 ]" 1
89 3 8 PHE HA 3 8 PHE HB3 3.000 . 3.500 2.441 2.406 2.583 . 0 0 "[ . 1 . 2 ]" 1
90 3 8 PHE HA 3 9 ALA H 4.000 . 4.500 2.446 2.163 2.556 . 0 0 "[ . 1 . 2 ]" 1
91 3 8 PHE HB3 3 11 CYS HB2 5.000 . 5.500 3.561 3.076 4.152 . 0 0 "[ . 1 . 2 ]" 1
92 3 8 PHE HB3 3 11 CYS HB3 5.000 . 5.500 4.285 3.005 5.003 . 0 0 "[ . 1 . 2 ]" 1
93 3 8 PHE QE 3 25 LEU QD 5.590 . 6.090 2.614 2.277 3.620 . 0 0 "[ . 1 . 2 ]" 1
94 3 8 PHE HB2 3 28 HIS HE1 5.000 . 5.500 3.338 2.614 4.115 . 0 0 "[ . 1 . 2 ]" 1
95 3 8 PHE HB3 3 28 HIS HE1 5.000 . 5.500 3.746 2.895 4.308 . 0 0 "[ . 1 . 2 ]" 1
96 3 8 PHE QD 3 29 THR MG 6.360 . 6.860 4.248 3.796 4.548 . 0 0 "[ . 1 . 2 ]" 1
97 3 8 PHE QE 3 29 THR MG 5.170 . 5.670 2.350 2.138 2.638 . 0 0 "[ . 1 . 2 ]" 1
98 3 8 PHE HZ 3 29 THR HA 5.000 . 5.500 4.073 3.615 4.489 . 0 0 "[ . 1 . 2 ]" 1
99 3 8 PHE HZ 3 29 THR MG 3.520 . 4.020 2.504 2.223 2.696 . 0 0 "[ . 1 . 2 ]" 1
100 3 9 ALA HA 3 10 ASP H 4.000 . 4.500 3.374 2.129 3.589 . 0 0 "[ . 1 . 2 ]" 1
101 3 9 ALA MB 3 10 ASP H 4.620 . 5.120 2.431 2.059 3.724 . 0 0 "[ . 1 . 2 ]" 1
102 3 9 ALA MB 3 10 ASP QB 6.210 . 6.710 4.271 4.070 4.651 . 0 0 "[ . 1 . 2 ]" 1
103 3 10 ASP H 3 10 ASP HA 3.000 . 3.500 2.698 2.231 2.899 . 0 0 "[ . 1 . 2 ]" 1
104 3 10 ASP H 3 11 CYS H 3.000 . 3.500 2.859 1.890 2.990 . 0 0 "[ . 1 . 2 ]" 1
105 3 10 ASP HA 3 11 CYS H 4.000 . 4.500 3.514 2.836 3.578 . 0 0 "[ . 1 . 2 ]" 1
106 3 11 CYS H 3 11 CYS HB2 4.000 . 4.500 2.357 2.260 2.698 . 0 0 "[ . 1 . 2 ]" 1
107 3 11 CYS H 3 11 CYS HB3 3.000 . 3.500 2.495 2.195 2.598 . 0 0 "[ . 1 . 2 ]" 1
108 3 11 CYS HA 3 11 CYS HB2 3.000 . 3.500 2.490 2.347 2.535 . 0 0 "[ . 1 . 2 ]" 1
109 3 11 CYS HA 3 11 CYS HB3 3.000 . 3.500 3.028 2.996 3.039 . 0 0 "[ . 1 . 2 ]" 1
110 3 11 CYS H 3 12 GLY H 4.000 . 4.500 2.834 2.423 3.438 . 0 0 "[ . 1 . 2 ]" 1
111 3 11 CYS HB2 3 12 GLY H 4.000 . 4.500 3.961 3.743 4.272 . 0 0 "[ . 1 . 2 ]" 1
112 3 11 CYS HB3 3 12 GLY H 4.000 . 4.500 2.856 2.301 4.199 . 0 0 "[ . 1 . 2 ]" 1
113 3 11 CYS H 3 13 ALA H 5.000 . 5.500 4.821 4.706 5.121 . 0 0 "[ . 1 . 2 ]" 1
114 3 11 CYS H 3 28 HIS HE1 5.000 . 5.500 5.003 4.560 5.084 . 0 0 "[ . 1 . 2 ]" 1
115 3 11 CYS HB2 3 28 HIS HE1 5.000 . 5.500 2.968 2.631 3.141 . 0 0 "[ . 1 . 2 ]" 1
116 3 11 CYS HB3 3 28 HIS HE1 5.000 . 5.500 4.218 2.687 4.596 . 0 0 "[ . 1 . 2 ]" 1
117 3 12 GLY H 3 13 ALA H 4.000 . 4.500 2.945 2.671 3.677 . 0 0 "[ . 1 . 2 ]" 1
118 3 12 GLY QA 3 13 ALA H 4.410 . 4.910 2.862 2.596 2.957 . 0 0 "[ . 1 . 2 ]" 1
119 3 13 ALA H 3 13 ALA HA 3.000 . 3.500 2.957 2.922 2.971 . 0 0 "[ . 1 . 2 ]" 1
120 3 13 ALA H 3 14 ALA H 5.000 . 5.500 4.616 4.261 4.661 . 0 0 "[ . 1 . 2 ]" 1
121 3 13 ALA H 3 14 ALA MB 5.690 . 6.190 4.783 4.756 4.849 . 0 0 "[ . 1 . 2 ]" 1
122 3 13 ALA HA 3 14 ALA H 3.000 . 3.500 2.329 2.184 2.568 . 0 0 "[ . 1 . 2 ]" 1
123 3 13 ALA HA 3 14 ALA HA 5.000 . 5.500 4.514 4.470 4.602 . 0 0 "[ . 1 . 2 ]" 1
124 3 13 ALA HA 3 14 ALA MB 5.690 . 6.190 3.915 3.818 4.006 . 0 0 "[ . 1 . 2 ]" 1
125 3 13 ALA MB 3 14 ALA H 4.620 . 5.120 2.896 2.473 3.488 . 0 0 "[ . 1 . 2 ]" 1
126 3 13 ALA MB 3 15 TYR QD 6.360 . 6.860 3.955 3.592 4.159 . 0 0 "[ . 1 . 2 ]" 1
127 3 13 ALA MB 3 15 TYR QE 3.950 . 4.450 2.381 2.194 2.600 . 0 0 "[ . 1 . 2 ]" 1
128 3 13 ALA MB 3 21 LEU QD 5.690 . 6.190 3.536 3.518 3.564 . 0 0 "[ . 1 . 2 ]" 1
129 3 13 ALA MB 3 24 HIS HD2 5.690 . 6.190 3.663 3.246 3.919 . 0 0 "[ . 1 . 2 ]" 1
130 3 13 ALA MB 3 24 HIS HE1 4.620 . 5.120 2.525 2.354 3.304 . 0 0 "[ . 1 . 2 ]" 1
131 3 14 ALA H 3 15 TYR QD 5.590 . 6.090 4.083 3.844 4.694 . 0 0 "[ . 1 . 2 ]" 1
132 3 14 ALA HA 3 15 TYR H 3.000 . 3.500 2.324 2.214 2.393 . 0 0 "[ . 1 . 2 ]" 1
133 3 14 ALA MB 3 15 TYR H 4.620 . 5.120 2.886 2.766 3.044 . 0 0 "[ . 1 . 2 ]" 1
134 3 15 TYR H 3 15 TYR QD 4.480 . 4.980 3.009 2.907 3.114 . 0 0 "[ . 1 . 2 ]" 1
135 3 15 TYR HB2 3 16 ASN H 4.000 . 4.500 3.655 2.513 4.018 . 0 0 "[ . 1 . 2 ]" 1
136 3 15 TYR HB2 3 17 LYS H 4.000 . 4.500 3.798 3.173 4.085 . 0 0 "[ . 1 . 2 ]" 1
137 3 15 TYR HB3 3 17 LYS H 4.000 . 4.500 3.278 2.889 3.601 . 0 0 "[ . 1 . 2 ]" 1
138 3 15 TYR H 3 21 LEU HB2 4.000 . 4.500 3.548 3.045 4.041 . 0 0 "[ . 1 . 2 ]" 1
139 3 15 TYR QD 3 21 LEU HA 5.590 . 6.090 2.529 2.306 3.004 . 0 0 "[ . 1 . 2 ]" 1
140 3 15 TYR QD 3 21 LEU QD 5.590 . 6.090 2.127 2.008 2.389 . 0 0 "[ . 1 . 2 ]" 1
141 3 15 TYR QE 3 21 LEU HA 5.590 . 6.090 3.561 3.097 4.430 . 0 0 "[ . 1 . 2 ]" 1
142 3 15 TYR QE 3 21 LEU QD 5.590 . 6.090 2.892 2.598 3.259 . 0 0 "[ . 1 . 2 ]" 1
143 1 9 DG H2' 3 15 TYR QD 6.690 . 7.190 4.480 3.501 5.633 . 0 0 "[ . 1 . 2 ]" 1
144 1 9 DG H3' 3 15 TYR QD 5.040 . 5.540 4.025 2.948 4.584 . 0 0 "[ . 1 . 2 ]" 1
145 1 9 DG H3' 3 15 TYR QE 5.040 . 5.540 2.918 2.424 3.735 . 0 0 "[ . 1 . 2 ]" 1
146 3 16 ASN H 3 17 LYS H 5.000 . 5.500 2.787 2.328 3.536 . 0 0 "[ . 1 . 2 ]" 1
147 3 16 ASN QD 3 17 LYS H 4.410 . 4.910 3.752 2.655 4.187 . 0 0 "[ . 1 . 2 ]" 1
148 3 17 LYS H 3 17 LYS HB2 4.000 . 4.500 2.483 2.258 2.883 . 0 0 "[ . 1 . 2 ]" 1
149 3 17 LYS HA 3 18 ASN H 4.000 . 4.500 2.164 2.041 2.226 . 0 0 "[ . 1 . 2 ]" 1
150 3 17 LYS HB2 3 19 TRP HD1 5.000 . 5.500 4.355 3.462 5.021 . 0 0 "[ . 1 . 2 ]" 1
151 3 17 LYS HB3 3 19 TRP HD1 5.000 . 5.500 2.915 2.415 3.393 . 0 0 "[ . 1 . 2 ]" 1
152 3 17 LYS H 3 20 LYS QB 5.470 . 5.970 3.171 2.292 4.180 . 0 0 "[ . 1 . 2 ]" 1
153 3 17 LYS HB2 3 20 LYS H 4.000 . 4.500 2.921 2.438 4.001 . 0 0 "[ . 1 . 2 ]" 1
154 2 2 DG H2' 3 17 LYS QD 4.410 . 4.910 3.455 2.613 3.951 . 0 0 "[ . 1 . 2 ]" 1
155 2 2 DG H8 3 17 LYS QD 6.520 . 7.020 3.759 3.120 4.857 . 0 0 "[ . 1 . 2 ]" 1
156 2 2 DG H1' 3 17 LYS QE 6.520 . 7.020 5.371 4.546 5.944 . 0 0 "[ . 1 . 2 ]" 1
157 2 2 DG H8 3 17 LYS QE 5.470 . 5.970 4.212 2.918 4.924 . 0 0 "[ . 1 . 2 ]" 1
158 2 3 DG H8 3 17 LYS QD 5.470 . 5.970 3.605 2.969 4.960 . 0 0 "[ . 1 . 2 ]" 1
159 2 3 DG H8 3 17 LYS QE 5.470 . 5.970 4.084 3.041 4.889 . 0 0 "[ . 1 . 2 ]" 1
160 2 4 DT M7 3 17 LYS HD2 5.690 . 6.190 3.031 2.296 4.737 . 0 0 "[ . 1 . 2 ]" 1
161 2 4 DT M7 3 17 LYS HD3 5.690 . 6.190 4.112 2.928 4.807 . 0 0 "[ . 1 . 2 ]" 1
162 2 4 DT M7 3 17 LYS QE 5.080 . 5.580 3.182 2.283 3.789 . 0 0 "[ . 1 . 2 ]" 1
163 3 18 ASN H 3 18 ASN HB2 4.000 . 4.500 2.461 2.215 2.604 . 0 0 "[ . 1 . 2 ]" 1
164 3 18 ASN H 3 18 ASN HB3 4.000 . 4.500 2.590 2.410 2.927 . 0 0 "[ . 1 . 2 ]" 1
165 3 18 ASN HA 3 21 LEU HB2 5.000 . 5.500 3.922 3.123 4.442 . 0 0 "[ . 1 . 2 ]" 1
166 3 18 ASN HA 3 21 LEU HB3 4.000 . 4.500 2.905 2.695 3.228 . 0 0 "[ . 1 . 2 ]" 1
167 3 18 ASN HA 3 21 LEU QD 5.000 . 5.500 3.715 3.509 3.765 . 0 0 "[ . 1 . 2 ]" 1
168 3 19 TRP H 3 19 TRP HD1 5.000 . 5.500 2.779 2.600 2.945 . 0 0 "[ . 1 . 2 ]" 1
169 3 19 TRP HA 3 19 TRP HE3 5.000 . 5.500 4.189 4.033 4.288 . 0 0 "[ . 1 . 2 ]" 1
170 3 19 TRP HA 3 20 LYS H 5.000 . 5.500 3.583 3.545 3.620 . 0 0 "[ . 1 . 2 ]" 1
171 3 19 TRP HE1 3 20 LYS QB 5.470 . 5.970 4.484 3.960 4.915 . 0 0 "[ . 1 . 2 ]" 1
172 3 19 TRP HE3 3 20 LYS HA 5.000 . 5.500 2.613 2.362 3.020 . 0 0 "[ . 1 . 2 ]" 1
173 3 19 TRP HA 3 22 GLN H 5.000 . 5.500 3.384 3.176 3.824 . 0 0 "[ . 1 . 2 ]" 1
174 3 19 TRP HA 3 22 GLN HB2 4.000 . 4.500 2.619 2.432 2.806 . 0 0 "[ . 1 . 2 ]" 1
175 3 19 TRP HA 3 22 GLN QG 4.410 . 4.910 2.630 2.253 3.952 . 0 0 "[ . 1 . 2 ]" 1
176 3 19 TRP HE3 3 23 ALA MB 5.690 . 6.190 3.078 2.602 3.524 . 0 0 "[ . 1 . 2 ]" 1
177 3 19 TRP HZ3 3 23 ALA MB 5.690 . 6.190 3.632 2.781 4.229 . 0 0 "[ . 1 . 2 ]" 1
178 3 19 TRP HA 3 34 PHE QD 5.590 . 6.090 5.046 4.982 5.098 . 0 0 "[ . 1 . 2 ]" 1
179 1 9 DG H8 3 19 TRP HH2 4.000 . 4.500 3.835 3.202 4.066 . 0 0 "[ . 1 . 2 ]" 1
180 1 9 DG H8 3 19 TRP HZ3 3.500 . 4.000 3.293 2.528 3.595 . 0 0 "[ . 1 . 2 ]" 1
181 1 10 DA H8 3 19 TRP HZ2 5.000 . 5.500 4.707 3.250 5.046 . 0 0 "[ . 1 . 2 ]" 1
182 2 3 DG H2' 3 19 TRP HD1 5.000 . 5.500 4.301 3.307 5.081 . 0 0 "[ . 1 . 2 ]" 1
183 2 4 DT M7 3 19 TRP QB 6.210 . 6.710 3.725 3.296 4.170 . 0 0 "[ . 1 . 2 ]" 1
184 2 4 DT M7 3 19 TRP HD1 4.080 . 4.580 2.256 2.075 2.593 . 0 0 "[ . 1 . 2 ]" 1
185 2 4 DT M7 3 19 TRP HE1 5.690 . 6.190 2.378 2.002 3.234 . 0 0 "[ . 1 . 2 ]" 1
186 3 20 LYS H 3 20 LYS QG . . 4.910 3.886 2.870 3.990 . 0 0 "[ . 1 . 2 ]" 1
187 3 20 LYS H 3 21 LEU H 4.000 . 4.500 2.628 2.433 2.762 . 0 0 "[ . 1 . 2 ]" 1
188 3 20 LYS HA 3 21 LEU H 4.000 . 4.500 3.602 3.561 3.640 . 0 0 "[ . 1 . 2 ]" 1
189 3 20 LYS H 3 22 GLN H 5.000 . 5.500 3.938 3.761 4.126 . 0 0 "[ . 1 . 2 ]" 1
190 3 20 LYS HA 3 23 ALA MB 4.620 . 5.120 2.568 2.281 2.993 . 0 0 "[ . 1 . 2 ]" 1
191 1 9 DG H1' 3 20 LYS QE 5.470 . 5.970 4.478 3.770 4.905 . 0 0 "[ . 1 . 2 ]" 1
192 1 9 DG H2' 3 20 LYS QE 6.520 . 7.020 2.763 1.927 3.735 . 0 0 "[ . 1 . 2 ]" 1
193 1 9 DG H2'' 3 20 LYS QE 6.520 . 7.020 2.797 2.259 3.690 . 0 0 "[ . 1 . 2 ]" 1
194 1 9 DG H8 3 20 LYS QE 5.470 . 5.970 3.472 2.082 4.720 . 0 0 "[ . 1 . 2 ]" 1
195 1 9 DG H1' 3 20 LYS QD 6.520 . 7.020 4.649 3.825 5.792 . 0 0 "[ . 1 . 2 ]" 1
196 1 9 DG H8 3 20 LYS QD 6.520 . 7.020 3.752 2.346 5.115 . 0 0 "[ . 1 . 2 ]" 1
197 1 9 DG H3' 3 20 LYS QE 5.470 . 5.970 4.080 2.207 4.890 . 0 0 "[ . 1 . 2 ]" 1
198 1 10 DA H8 3 20 LYS QE 5.470 . 5.970 3.597 2.083 5.034 . 0 0 "[ . 1 . 2 ]" 1
199 1 10 DA H8 3 20 LYS QD 6.520 . 7.020 3.953 2.764 4.929 . 0 0 "[ . 1 . 2 ]" 1
200 3 21 LEU H 3 21 LEU HB2 4.000 . 4.500 2.574 2.226 2.722 . 0 0 "[ . 1 . 2 ]" 1
201 3 21 LEU H 3 21 LEU HB3 3.000 . 3.500 2.512 2.353 2.873 . 0 0 "[ . 1 . 2 ]" 1
202 3 21 LEU HA 3 21 LEU HB3 3.000 . 3.500 3.027 3.003 3.037 . 0 0 "[ . 1 . 2 ]" 1
203 3 21 LEU HA 3 21 LEU QD 3.750 . 4.250 2.135 2.065 2.243 . 0 0 "[ . 1 . 2 ]" 1
204 3 21 LEU HB3 3 21 LEU HG 3.000 . 3.500 2.570 2.475 2.991 . 0 0 "[ . 1 . 2 ]" 1
205 3 21 LEU H 3 22 GLN H 4.000 . 4.500 2.718 2.433 2.813 . 0 0 "[ . 1 . 2 ]" 1
206 3 21 LEU H 3 22 GLN QE 4.410 . 4.910 3.787 3.675 3.959 . 0 0 "[ . 1 . 2 ]" 1
207 3 21 LEU HB2 3 22 GLN H 5.000 . 5.500 4.075 3.561 4.271 . 0 0 "[ . 1 . 2 ]" 1
208 3 21 LEU QD 3 22 GLN H 6.250 . 6.750 3.667 3.084 4.175 . 0 0 "[ . 1 . 2 ]" 1
209 3 21 LEU QD 3 22 GLN QE 5.470 . 5.970 2.378 1.918 2.812 . 0 0 "[ . 1 . 2 ]" 1
210 3 21 LEU HA 3 23 ALA MB 5.690 . 6.190 4.752 4.666 4.805 . 0 0 "[ . 1 . 2 ]" 1
211 3 21 LEU H 3 24 HIS H 5.000 . 5.500 4.683 4.477 4.880 . 0 0 "[ . 1 . 2 ]" 1
212 3 21 LEU HA 3 24 HIS H 4.000 . 4.500 3.182 3.047 3.385 . 0 0 "[ . 1 . 2 ]" 1
213 3 21 LEU HA 3 24 HIS HB2 4.000 . 4.500 3.341 3.002 3.602 . 0 0 "[ . 1 . 2 ]" 1
214 3 21 LEU HA 3 24 HIS HB3 4.000 . 4.500 2.578 2.281 2.709 . 0 0 "[ . 1 . 2 ]" 1
215 3 21 LEU QD 3 24 HIS H 6.250 . 6.750 4.031 3.795 4.264 . 0 0 "[ . 1 . 2 ]" 1
216 3 21 LEU QD 3 24 HIS HB2 5.000 . 5.500 3.678 3.594 3.745 . 0 0 "[ . 1 . 2 ]" 1
217 3 21 LEU QD 3 25 LEU QD 4.690 . 5.190 2.115 1.790 2.435 0.010 13 0 "[ . 1 . 2 ]" 1
218 3 22 GLN H 3 22 GLN HB2 3.000 . 3.500 2.580 2.174 2.679 . 0 0 "[ . 1 . 2 ]" 1
219 3 22 GLN H 3 22 GLN HB3 4.000 . 4.500 3.629 3.480 3.671 . 0 0 "[ . 1 . 2 ]" 1
220 3 22 GLN H 3 22 GLN QG 4.410 . 4.910 2.737 2.309 3.586 . 0 0 "[ . 1 . 2 ]" 1
221 3 22 GLN HA 3 22 GLN HB2 3.000 . 3.500 3.037 2.995 3.049 . 0 0 "[ . 1 . 2 ]" 1
222 3 22 GLN HA 3 22 GLN HB3 3.000 . 3.500 2.447 2.372 2.721 . 0 0 "[ . 1 . 2 ]" 1
223 3 22 GLN H 3 23 ALA H 4.000 . 4.500 2.731 2.602 2.819 . 0 0 "[ . 1 . 2 ]" 1
224 3 22 GLN HA 3 23 ALA H 5.000 . 5.500 3.582 3.564 3.614 . 0 0 "[ . 1 . 2 ]" 1
225 3 22 GLN HB2 3 23 ALA H 4.000 . 4.500 2.537 2.401 2.884 . 0 0 "[ . 1 . 2 ]" 1
226 3 22 GLN HB2 3 23 ALA MB 5.690 . 6.190 3.980 3.836 4.457 . 0 0 "[ . 1 . 2 ]" 1
227 3 22 GLN HB3 3 23 ALA H 4.000 . 4.500 3.514 3.206 3.615 . 0 0 "[ . 1 . 2 ]" 1
228 3 22 GLN HB3 3 23 ALA MB 5.690 . 6.190 4.739 4.444 4.815 . 0 0 "[ . 1 . 2 ]" 1
229 3 22 GLN QE 3 23 ALA H 5.470 . 5.970 4.693 4.494 4.867 . 0 0 "[ . 1 . 2 ]" 1
230 3 22 GLN QG 3 23 ALA H 5.470 . 5.970 4.137 3.936 4.578 . 0 0 "[ . 1 . 2 ]" 1
231 3 22 GLN H 3 24 HIS H 5.000 . 5.500 4.115 3.934 4.324 . 0 0 "[ . 1 . 2 ]" 1
232 3 22 GLN HA 3 25 LEU H 4.000 . 4.500 3.382 3.225 3.712 . 0 0 "[ . 1 . 2 ]" 1
233 3 22 GLN HA 3 25 LEU QD 3.750 . 4.250 2.591 2.295 2.791 . 0 0 "[ . 1 . 2 ]" 1
234 3 22 GLN HB3 3 25 LEU QD 6.250 . 6.750 4.449 4.223 4.644 . 0 0 "[ . 1 . 2 ]" 1
235 3 23 ALA H 3 24 HIS H 4.000 . 4.500 2.816 2.769 2.894 . 0 0 "[ . 1 . 2 ]" 1
236 3 23 ALA MB 3 24 HIS H 4.620 . 5.120 2.598 2.386 2.764 . 0 0 "[ . 1 . 2 ]" 1
237 3 23 ALA MB 3 24 HIS HB3 5.690 . 6.190 4.712 4.574 4.771 . 0 0 "[ . 1 . 2 ]" 1
238 3 23 ALA HA 3 26 SER HB3 3.000 . 3.500 3.044 3.008 3.115 . 0 0 "[ . 1 . 2 ]" 1
239 3 23 ALA HA 3 46 THR HB 4.000 . 4.500 2.171 2.021 2.332 . 0 0 "[ . 1 . 2 ]" 1
240 3 23 ALA HA 3 46 THR MG 3.520 . 4.020 2.613 2.194 2.981 . 0 0 "[ . 1 . 2 ]" 1
241 3 23 ALA MB 3 46 THR HA 5.690 . 6.190 4.478 4.033 4.778 . 0 0 "[ . 1 . 2 ]" 1
242 3 23 ALA MB 3 46 THR HB 3.520 . 4.020 2.454 2.135 2.859 . 0 0 "[ . 1 . 2 ]" 1
243 3 23 ALA MB 3 46 THR MG 5.310 . 5.810 3.425 2.986 3.731 . 0 0 "[ . 1 . 2 ]" 1
244 3 23 ALA MB 3 47 SER HB2 5.690 . 6.190 4.498 3.413 4.825 . 0 0 "[ . 1 . 2 ]" 1
245 3 23 ALA MB 3 47 SER HB3 5.690 . 6.190 3.116 2.279 3.587 . 0 0 "[ . 1 . 2 ]" 1
246 3 24 HIS H 3 24 HIS HB2 3.000 . 3.500 2.594 2.483 2.745 . 0 0 "[ . 1 . 2 ]" 1
247 3 24 HIS H 3 24 HIS HB3 3.000 . 3.500 2.501 2.426 2.583 . 0 0 "[ . 1 . 2 ]" 1
248 3 24 HIS HA 3 24 HIS HB3 3.000 . 3.500 3.030 3.022 3.035 . 0 0 "[ . 1 . 2 ]" 1
249 3 24 HIS H 3 25 LEU H 4.000 . 4.500 2.823 2.668 3.028 . 0 0 "[ . 1 . 2 ]" 1
250 3 24 HIS HD2 3 25 LEU HA 4.000 . 4.500 2.849 2.668 3.361 . 0 0 "[ . 1 . 2 ]" 1
251 3 24 HIS HD2 3 25 LEU QD . . 4.250 2.668 2.225 2.801 . 0 0 "[ . 1 . 2 ]" 1
252 3 24 HIS HA 3 27 LYS QD . . 4.910 2.969 2.405 3.870 . 0 0 "[ . 1 . 2 ]" 1
253 3 24 HIS HE1 3 27 LYS QD 5.470 . 5.970 3.811 3.072 4.890 . 0 0 "[ . 1 . 2 ]" 1
254 3 25 LEU H 3 25 LEU HB2 4.000 . 4.500 2.449 2.257 2.547 . 0 0 "[ . 1 . 2 ]" 1
255 3 25 LEU H 3 25 LEU HB3 4.000 . 4.500 3.608 3.536 3.639 . 0 0 "[ . 1 . 2 ]" 1
256 3 25 LEU H 3 25 LEU HG 4.000 . 4.500 2.725 2.237 4.036 . 0 0 "[ . 1 . 2 ]" 1
257 3 25 LEU HA 3 25 LEU HB2 3.000 . 3.500 3.018 2.993 3.029 . 0 0 "[ . 1 . 2 ]" 1
258 3 25 LEU HA 3 25 LEU HB3 3.000 . 3.500 2.565 2.503 2.707 . 0 0 "[ . 1 . 2 ]" 1
259 3 25 LEU HA 3 25 LEU HG 3.000 . 3.500 2.813 2.406 3.028 . 0 0 "[ . 1 . 2 ]" 1
260 3 25 LEU HA 3 25 LEU QD . . 3.620 2.166 2.093 2.325 . 0 0 "[ . 1 . 2 ]" 1
261 3 25 LEU HB2 3 25 LEU HG 3.000 . 3.500 2.664 2.507 3.025 . 0 0 "[ . 1 . 2 ]" 1
262 3 25 LEU HB3 3 25 LEU HG 3.000 . 3.500 2.876 2.298 3.036 . 0 0 "[ . 1 . 2 ]" 1
263 3 25 LEU H 3 26 SER H 4.000 . 4.500 2.920 2.883 2.953 . 0 0 "[ . 1 . 2 ]" 1
264 3 25 LEU HB2 3 26 SER H 5.000 . 5.500 2.983 2.790 3.339 . 0 0 "[ . 1 . 2 ]" 1
265 3 25 LEU HB2 3 26 SER HA 5.000 . 5.500 4.526 4.312 4.760 . 0 0 "[ . 1 . 2 ]" 1
266 3 25 LEU HB3 3 26 SER H 5.000 . 5.500 3.712 3.294 4.068 . 0 0 "[ . 1 . 2 ]" 1
267 3 25 LEU HG 3 26 SER H 5.000 . 5.500 4.791 4.591 5.113 . 0 0 "[ . 1 . 2 ]" 1
268 3 25 LEU QD 3 26 SER H 6.250 . 6.750 4.263 4.047 4.489 . 0 0 "[ . 1 . 2 ]" 1
269 3 25 LEU HA 3 28 HIS HD2 3.000 . 3.500 2.318 2.176 2.500 . 0 0 "[ . 1 . 2 ]" 1
270 3 25 LEU QD 3 28 HIS HB2 6.250 . 6.750 3.758 3.050 4.588 . 0 0 "[ . 1 . 2 ]" 1
271 3 25 LEU QD 3 28 HIS HD2 5.000 . 5.500 2.944 2.316 3.705 . 0 0 "[ . 1 . 2 ]" 1
272 3 25 LEU HA 3 28 HIS H 4.000 . 4.500 3.317 3.114 3.476 . 0 0 "[ . 1 . 2 ]" 1
273 3 25 LEU HA 3 29 THR MG 5.690 . 6.190 3.511 3.266 3.721 . 0 0 "[ . 1 . 2 ]" 1
274 3 25 LEU HB2 3 29 THR MG 4.620 . 5.120 3.873 3.833 3.920 . 0 0 "[ . 1 . 2 ]" 1
275 3 25 LEU HB3 3 29 THR MG 4.620 . 5.120 2.477 2.388 2.549 . 0 0 "[ . 1 . 2 ]" 1
276 3 25 LEU QD 3 29 THR MG 5.690 . 6.190 2.775 2.391 3.026 . 0 0 "[ . 1 . 2 ]" 1
277 3 26 SER H 3 26 SER HB3 3.000 . 3.500 2.421 2.317 2.501 . 0 0 "[ . 1 . 2 ]" 1
278 3 26 SER HA 3 26 SER HB3 3.000 . 3.500 2.529 2.493 2.558 . 0 0 "[ . 1 . 2 ]" 1
279 3 26 SER H 3 27 LYS H 3.000 . 3.500 2.880 2.752 3.023 . 0 0 "[ . 1 . 2 ]" 1
280 3 26 SER HA 3 27 LYS H 4.000 . 4.500 3.557 3.544 3.581 . 0 0 "[ . 1 . 2 ]" 1
281 3 26 SER HA 3 28 HIS H 5.000 . 5.500 4.118 3.941 4.311 . 0 0 "[ . 1 . 2 ]" 1
282 3 26 SER HA 3 29 THR H 4.000 . 4.500 3.458 3.214 3.696 . 0 0 "[ . 1 . 2 ]" 1
283 3 26 SER HA 3 29 THR MG 5.690 . 6.190 4.153 4.004 4.313 . 0 0 "[ . 1 . 2 ]" 1
284 3 26 SER HA 3 30 GLY H 4.000 . 4.500 2.627 2.447 2.871 . 0 0 "[ . 1 . 2 ]" 1
285 3 26 SER HA 3 31 GLU QB 4.410 . 4.910 3.332 2.887 3.588 . 0 0 "[ . 1 . 2 ]" 1
286 3 26 SER HB2 3 32 LYS HA 5.000 . 5.500 4.188 3.833 4.463 . 0 0 "[ . 1 . 2 ]" 1
287 3 26 SER HB3 3 32 LYS HA 4.000 . 4.500 3.975 3.758 4.083 . 0 0 "[ . 1 . 2 ]" 1
288 3 26 SER HB3 3 32 LYS QE 5.470 . 5.970 4.795 4.328 4.943 . 0 0 "[ . 1 . 2 ]" 1
289 3 26 SER HA 3 46 THR MG 5.690 . 6.190 4.198 4.057 4.470 . 0 0 "[ . 1 . 2 ]" 1
290 3 26 SER HB3 3 46 THR MG 3.520 . 4.020 2.239 2.081 2.490 . 0 0 "[ . 1 . 2 ]" 1
291 3 27 LYS H 3 27 LYS HA 3.000 . 3.500 2.834 2.808 2.868 . 0 0 "[ . 1 . 2 ]" 1
292 3 27 LYS H 3 27 LYS QG 4.410 . 4.910 2.132 2.044 2.569 . 0 0 "[ . 1 . 2 ]" 1
293 3 27 LYS HA 3 27 LYS QG 3.330 . 3.830 2.468 2.250 2.522 . 0 0 "[ . 1 . 2 ]" 1
294 3 27 LYS H 3 28 HIS H 3.000 . 3.500 2.721 2.638 2.806 . 0 0 "[ . 1 . 2 ]" 1
295 3 27 LYS HA 3 28 HIS H 4.000 . 4.500 3.558 3.546 3.569 . 0 0 "[ . 1 . 2 ]" 1
296 3 27 LYS QG 3 28 HIS H 5.470 . 5.970 4.103 4.044 4.374 . 0 0 "[ . 1 . 2 ]" 1
297 3 27 LYS QB 3 28 HIS H 4.410 . 4.910 2.582 2.390 2.809 . 0 0 "[ . 1 . 2 ]" 1
298 3 28 HIS H 3 28 HIS HB2 3.000 . 3.500 2.459 2.383 2.504 . 0 0 "[ . 1 . 2 ]" 1
299 3 28 HIS H 3 28 HIS HB3 4.000 . 4.500 3.621 3.603 3.633 . 0 0 "[ . 1 . 2 ]" 1
300 3 28 HIS HA 3 28 HIS HB2 3.000 . 3.500 3.027 3.022 3.034 . 0 0 "[ . 1 . 2 ]" 1
301 3 28 HIS HA 3 28 HIS HB3 3.000 . 3.500 2.438 2.411 2.490 . 0 0 "[ . 1 . 2 ]" 1
302 3 28 HIS H 3 29 THR H 3.000 . 3.500 2.332 2.290 2.391 . 0 0 "[ . 1 . 2 ]" 1
303 3 28 HIS H 3 29 THR MG 4.620 . 5.120 3.780 3.725 3.853 . 0 0 "[ . 1 . 2 ]" 1
304 3 28 HIS HB2 3 29 THR H 4.000 . 4.500 2.337 2.235 2.449 . 0 0 "[ . 1 . 2 ]" 1
305 3 28 HIS HB2 3 29 THR MG 4.620 . 5.120 2.549 2.386 2.681 . 0 0 "[ . 1 . 2 ]" 1
306 3 28 HIS HB3 3 29 THR H 5.000 . 5.500 3.491 3.356 3.615 . 0 0 "[ . 1 . 2 ]" 1
307 3 28 HIS HB3 3 29 THR MG 5.690 . 6.190 3.557 3.282 3.702 . 0 0 "[ . 1 . 2 ]" 1
308 3 28 HIS H 3 30 GLY H 4.000 . 4.500 3.771 3.728 3.833 . 0 0 "[ . 1 . 2 ]" 1
309 3 29 THR H 3 29 THR MG 3.520 . 4.020 2.181 2.119 2.241 . 0 0 "[ . 1 . 2 ]" 1
310 3 29 THR HA 3 29 THR HB 2.500 . 3.000 2.423 2.367 2.445 . 0 0 "[ . 1 . 2 ]" 1
311 3 29 THR HA 3 29 THR MG 2.960 . 3.460 2.444 2.412 2.473 . 0 0 "[ . 1 . 2 ]" 1
312 3 29 THR H 3 30 GLY H 3.000 . 3.500 2.592 2.503 2.653 . 0 0 "[ . 1 . 2 ]" 1
313 3 29 THR HA 3 30 GLY H 5.000 . 5.500 3.567 3.535 3.582 . 0 0 "[ . 1 . 2 ]" 1
314 3 29 THR H 3 31 GLU H 4.000 . 4.500 3.934 3.819 4.027 . 0 0 "[ . 1 . 2 ]" 1
315 3 29 THR HB 3 31 GLU H 4.000 . 4.500 3.017 2.754 3.298 . 0 0 "[ . 1 . 2 ]" 1
316 3 29 THR HB 3 31 GLU QG 4.410 . 4.910 2.251 2.209 2.335 . 0 0 "[ . 1 . 2 ]" 1
317 3 29 THR MG 3 31 GLU H 5.690 . 6.190 3.944 3.829 4.058 . 0 0 "[ . 1 . 2 ]" 1
318 3 29 THR MG 3 31 GLU QB 6.210 . 6.710 3.779 3.553 4.052 . 0 0 "[ . 1 . 2 ]" 1
319 3 29 THR MG 3 31 GLU QG 6.210 . 6.710 3.591 3.209 3.751 . 0 0 "[ . 1 . 2 ]" 1
320 3 30 GLY H 3 31 GLU H 4.000 . 4.500 2.568 2.486 2.643 . 0 0 "[ . 1 . 2 ]" 1
321 3 30 GLY QA 3 31 GLU H 4.410 . 4.910 3.000 2.984 3.013 . 0 0 "[ . 1 . 2 ]" 1
322 3 31 GLU H 3 31 GLU QG 4.410 . 4.910 2.500 2.375 2.579 . 0 0 "[ . 1 . 2 ]" 1
323 3 31 GLU HA 3 31 GLU QG . . 3.830 2.457 2.341 2.795 . 0 0 "[ . 1 . 2 ]" 1
324 3 31 GLU HA 3 32 LYS H 3.000 . 3.500 2.226 2.167 2.294 . 0 0 "[ . 1 . 2 ]" 1
325 3 31 GLU QB 3 32 LYS H 5.470 . 5.970 2.918 2.498 3.273 . 0 0 "[ . 1 . 2 ]" 1
326 3 31 GLU QB 3 33 PRO QD 5.980 . 6.480 2.628 2.403 2.957 . 0 0 "[ . 1 . 2 ]" 1
327 3 31 GLU QB 3 46 THR MG 6.210 . 6.710 4.637 4.566 4.683 . 0 0 "[ . 1 . 2 ]" 1
328 3 32 LYS H 3 32 LYS HB2 4.000 . 4.500 2.880 2.803 2.935 . 0 0 "[ . 1 . 2 ]" 1
329 3 32 LYS H 3 32 LYS HB3 4.000 . 4.500 3.874 3.847 3.887 . 0 0 "[ . 1 . 2 ]" 1
330 3 32 LYS HA 3 32 LYS QG 3.330 . 3.830 2.503 2.406 2.601 . 0 0 "[ . 1 . 2 ]" 1
331 3 32 LYS HB2 3 32 LYS QD 2.790 . 3.290 2.502 2.464 2.530 . 0 0 "[ . 1 . 2 ]" 1
332 3 32 LYS HB3 3 32 LYS QD 2.790 . 3.290 2.519 2.434 2.546 . 0 0 "[ . 1 . 2 ]" 1
333 3 32 LYS HB3 3 32 LYS QE 3.330 . 3.830 2.431 2.289 2.975 . 0 0 "[ . 1 . 2 ]" 1
334 3 32 LYS HA 3 33 PRO QD 3.330 . 3.830 2.178 2.131 2.213 . 0 0 "[ . 1 . 2 ]" 1
335 3 32 LYS QG 3 33 PRO QD 5.980 . 6.480 3.927 3.860 4.006 . 0 0 "[ . 1 . 2 ]" 1
336 3 32 LYS HB2 3 34 PHE H 5.000 . 5.500 4.589 4.499 4.834 . 0 0 "[ . 1 . 2 ]" 1
337 3 32 LYS HB3 3 34 PHE H 4.000 . 4.500 4.005 3.912 4.055 . 0 0 "[ . 1 . 2 ]" 1
338 3 32 LYS HB2 3 44 GLY QA 5.470 . 5.970 2.685 2.520 3.082 . 0 0 "[ . 1 . 2 ]" 1
339 3 32 LYS HB3 3 44 GLY QA 4.410 . 4.910 2.944 2.440 3.140 . 0 0 "[ . 1 . 2 ]" 1
340 3 32 LYS QG 3 44 GLY QA 4.860 . 5.360 3.883 3.790 3.921 . 0 0 "[ . 1 . 2 ]" 1
341 3 32 LYS HA 3 46 THR HA 4.000 . 4.500 2.776 2.467 3.204 . 0 0 "[ . 1 . 2 ]" 1
342 3 32 LYS HA 3 46 THR MG 4.620 . 5.120 2.304 2.095 2.525 . 0 0 "[ . 1 . 2 ]" 1
343 3 32 LYS QE 3 46 THR MG 5.080 . 5.580 2.306 2.079 2.825 . 0 0 "[ . 1 . 2 ]" 1
344 3 32 LYS QG 3 46 THR MG . . 4.410 2.751 2.439 2.916 . 0 0 "[ . 1 . 2 ]" 1
345 1 7 DG H3' 3 32 LYS QE 5.470 . 5.970 3.685 2.297 4.873 . 0 0 "[ . 1 . 2 ]" 1
346 3 33 PRO HA 3 33 PRO QG 3.330 . 3.830 2.754 2.661 2.827 . 0 0 "[ . 1 . 2 ]" 1
347 3 33 PRO HA 3 34 PHE H 4.000 . 4.500 3.570 3.543 3.592 . 0 0 "[ . 1 . 2 ]" 1
348 3 33 PRO QB 3 34 PHE H 4.410 . 4.910 3.012 2.846 3.136 . 0 0 "[ . 1 . 2 ]" 1
349 3 33 PRO QB 3 34 PHE QD 6.120 . 6.620 2.444 2.275 2.683 . 0 0 "[ . 1 . 2 ]" 1
350 3 33 PRO QB 3 34 PHE QE 6.120 . 6.620 2.908 2.707 3.372 . 0 0 "[ . 1 . 2 ]" 1
351 3 33 PRO QD 3 34 PHE H 4.410 . 4.910 3.269 3.140 3.350 . 0 0 "[ . 1 . 2 ]" 1
352 3 33 PRO QG 3 34 PHE QD 6.120 . 6.620 3.983 3.863 4.147 . 0 0 "[ . 1 . 2 ]" 1
353 3 33 PRO QG 3 34 PHE QE 6.120 . 6.620 3.985 3.661 4.783 . 0 0 "[ . 1 . 2 ]" 1
354 3 33 PRO QB 3 46 THR HA 4.410 . 4.910 3.915 3.409 3.974 . 0 0 "[ . 1 . 2 ]" 1
355 3 33 PRO QD 3 46 THR HA 3.330 . 3.830 2.175 2.125 2.308 . 0 0 "[ . 1 . 2 ]" 1
356 3 33 PRO QD 3 46 THR HB 5.470 . 5.970 3.779 3.205 4.047 . 0 0 "[ . 1 . 2 ]" 1
357 3 33 PRO QD 3 46 THR MG . . 4.410 2.755 2.417 2.924 . 0 0 "[ . 1 . 2 ]" 1
358 3 33 PRO QG 3 46 THR MG 6.210 . 6.710 4.351 4.030 4.570 . 0 0 "[ . 1 . 2 ]" 1
359 3 33 PRO QG 3 46 THR HA 4.410 . 4.910 3.994 3.943 4.051 . 0 0 "[ . 1 . 2 ]" 1
360 3 34 PHE H 3 34 PHE HB2 4.000 . 4.500 2.483 2.449 2.559 . 0 0 "[ . 1 . 2 ]" 1
361 3 34 PHE H 3 34 PHE HB3 4.000 . 4.500 3.665 3.638 3.702 . 0 0 "[ . 1 . 2 ]" 1
362 3 34 PHE H 3 34 PHE QD 4.480 . 4.980 2.746 2.479 3.118 . 0 0 "[ . 1 . 2 ]" 1
363 3 34 PHE H 3 35 PRO QD 5.470 . 5.970 3.519 3.273 3.698 . 0 0 "[ . 1 . 2 ]" 1
364 3 34 PHE HA 3 35 PRO QD 3.330 . 3.830 2.175 2.118 2.249 . 0 0 "[ . 1 . 2 ]" 1
365 3 34 PHE H 3 45 PHE H 4.000 . 4.500 3.697 3.498 4.046 . 0 0 "[ . 1 . 2 ]" 1
366 3 34 PHE QD 3 46 THR HA 5.590 . 6.090 3.297 2.813 3.651 . 0 0 "[ . 1 . 2 ]" 1
367 3 34 PHE QD 3 47 SER HA 5.590 . 6.090 2.685 2.382 3.155 . 0 0 "[ . 1 . 2 ]" 1
368 3 34 PHE QE 3 47 SER HA 4.480 . 4.980 2.774 2.606 3.279 . 0 0 "[ . 1 . 2 ]" 1
369 3 34 PHE QD 3 48 LEU QD 5.590 . 6.090 2.830 2.538 3.235 . 0 0 "[ . 1 . 2 ]" 1
370 3 34 PHE QE 3 48 LEU H 4.480 . 4.980 3.399 3.211 3.652 . 0 0 "[ . 1 . 2 ]" 1
371 3 34 PHE QE 3 48 LEU QD . . 6.090 2.764 2.431 3.069 . 0 0 "[ . 1 . 2 ]" 1
372 3 34 PHE HA 3 51 LEU QD 6.250 . 6.750 3.524 3.258 3.926 . 0 0 "[ . 1 . 2 ]" 1
373 3 34 PHE HB2 3 51 LEU QD 5.000 . 5.500 3.424 3.234 3.733 . 0 0 "[ . 1 . 2 ]" 1
374 3 34 PHE HB3 3 51 LEU QD 3.750 . 4.250 2.254 2.119 2.456 . 0 0 "[ . 1 . 2 ]" 1
375 3 34 PHE QD 3 51 LEU QD 5.590 . 6.090 2.952 2.633 3.351 . 0 0 "[ . 1 . 2 ]" 1
376 3 35 PRO HA 3 36 CYS H 3.000 . 3.500 2.272 2.225 2.346 . 0 0 "[ . 1 . 2 ]" 1
377 3 35 PRO QB 3 36 CYS H 5.470 . 5.970 2.956 2.663 3.180 . 0 0 "[ . 1 . 2 ]" 1
378 3 35 PRO HA 3 44 GLY QA 3.330 . 3.830 2.191 2.105 2.330 . 0 0 "[ . 1 . 2 ]" 1
379 3 36 CYS H 3 36 CYS HB2 4.000 . 4.500 2.659 2.472 2.780 . 0 0 "[ . 1 . 2 ]" 1
380 3 36 CYS H 3 36 CYS HB3 3.000 . 3.500 2.392 2.322 2.444 . 0 0 "[ . 1 . 2 ]" 1
381 3 36 CYS HA 3 36 CYS HB2 3.000 . 3.500 2.441 2.376 2.528 . 0 0 "[ . 1 . 2 ]" 1
382 3 36 CYS HA 3 36 CYS HB3 3.000 . 3.500 3.019 3.008 3.029 . 0 0 "[ . 1 . 2 ]" 1
383 3 36 CYS HA 3 37 LYS H 4.000 . 4.500 3.091 2.169 3.581 . 0 0 "[ . 1 . 2 ]" 1
384 3 36 CYS HB2 3 37 LYS H 5.000 . 5.500 4.323 4.064 4.721 . 0 0 "[ . 1 . 2 ]" 1
385 3 36 CYS HB3 3 38 GLU H 5.000 . 5.500 3.862 3.150 4.053 . 0 0 "[ . 1 . 2 ]" 1
386 3 36 CYS H 3 42 GLU HA 4.000 . 4.500 3.932 3.516 4.067 . 0 0 "[ . 1 . 2 ]" 1
387 3 36 CYS H 3 43 LYS HB2 5.000 . 5.500 3.258 2.613 3.732 . 0 0 "[ . 1 . 2 ]" 1
388 3 36 CYS HB2 3 43 LYS HB3 4.000 . 4.500 3.952 3.839 4.034 . 0 0 "[ . 1 . 2 ]" 1
389 3 36 CYS HB3 3 43 LYS H 4.000 . 4.500 2.293 1.943 4.012 . 0 0 "[ . 1 . 2 ]" 1
390 3 36 CYS HB3 3 43 LYS HB2 4.000 . 4.500 2.484 2.165 3.034 . 0 0 "[ . 1 . 2 ]" 1
391 3 36 CYS HB3 3 43 LYS QG 5.470 . 5.970 3.055 2.790 3.413 . 0 0 "[ . 1 . 2 ]" 1
392 3 36 CYS H 3 44 GLY H 5.000 . 5.500 4.600 3.858 4.907 . 0 0 "[ . 1 . 2 ]" 1
393 3 36 CYS H 3 44 GLY QA . . 4.910 3.540 3.341 3.940 . 0 0 "[ . 1 . 2 ]" 1
394 3 36 CYS H 3 51 LEU QD 5.000 . 5.500 3.515 3.296 3.717 . 0 0 "[ . 1 . 2 ]" 1
395 3 36 CYS HA 3 51 LEU QD . . 4.250 2.174 2.037 2.349 . 0 0 "[ . 1 . 2 ]" 1
396 3 36 CYS HB2 3 51 LEU QD 5.000 . 5.500 2.478 2.139 2.835 . 0 0 "[ . 1 . 2 ]" 1
397 3 36 CYS HB3 3 51 LEU QD 6.250 . 6.750 3.772 3.484 4.091 . 0 0 "[ . 1 . 2 ]" 1
398 3 36 CYS HB2 3 54 HIS HD2 5.000 . 5.500 3.388 2.833 3.825 . 0 0 "[ . 1 . 2 ]" 1
399 3 36 CYS HB3 3 54 HIS HD2 5.000 . 5.500 4.724 4.382 5.015 . 0 0 "[ . 1 . 2 ]" 1
400 3 37 LYS H 3 37 LYS HB2 4.000 . 4.500 3.282 2.343 3.800 . 0 0 "[ . 1 . 2 ]" 1
401 3 37 LYS H 3 37 LYS HB3 4.000 . 4.500 3.911 3.602 4.062 . 0 0 "[ . 1 . 2 ]" 1
402 3 37 LYS H 3 37 LYS QG 3.330 . 3.830 2.710 2.076 2.981 . 0 0 "[ . 1 . 2 ]" 1
403 3 37 LYS HA 3 37 LYS HB2 3.000 . 3.500 3.020 3.006 3.029 . 0 0 "[ . 1 . 2 ]" 1
404 3 37 LYS HA 3 37 LYS HB3 3.000 . 3.500 2.442 2.340 2.564 . 0 0 "[ . 1 . 2 ]" 1
405 3 37 LYS HA 3 37 LYS QG 3.330 . 3.830 2.941 2.657 3.037 . 0 0 "[ . 1 . 2 ]" 1
406 3 37 LYS HA 3 37 LYS QD 3.330 . 3.830 2.214 2.136 2.273 . 0 0 "[ . 1 . 2 ]" 1
407 3 37 LYS H 3 38 GLU H 4.000 . 4.500 3.429 2.649 3.626 . 0 0 "[ . 1 . 2 ]" 1
408 3 37 LYS HA 3 38 GLU H 4.000 . 4.500 3.300 2.536 3.572 . 0 0 "[ . 1 . 2 ]" 1
409 3 37 LYS HB3 3 38 GLU H 5.000 . 5.500 4.007 3.617 4.528 . 0 0 "[ . 1 . 2 ]" 1
410 3 38 GLU HA 3 38 GLU QG 3.330 . 3.830 2.363 2.224 2.592 . 0 0 "[ . 1 . 2 ]" 1
411 3 38 GLU HA 3 39 GLU H 3.000 . 3.500 2.211 2.090 2.413 . 0 0 "[ . 1 . 2 ]" 1
412 3 38 GLU QB 3 39 GLU H 4.410 . 4.910 2.917 2.293 3.353 . 0 0 "[ . 1 . 2 ]" 1
413 3 38 GLU QB 3 39 GLU HA 5.470 . 5.970 4.599 4.401 4.685 . 0 0 "[ . 1 . 2 ]" 1
414 3 38 GLU QG 3 39 GLU H 4.410 . 4.910 3.943 3.890 4.008 . 0 0 "[ . 1 . 2 ]" 1
415 3 38 GLU QB 3 41 CYS HB2 4.410 . 4.910 3.756 3.594 3.931 . 0 0 "[ . 1 . 2 ]" 1
416 3 38 GLU QB 3 41 CYS H 5.470 . 5.970 3.288 2.609 3.494 . 0 0 "[ . 1 . 2 ]" 1
417 3 38 GLU QB 3 42 GLU H 5.470 . 5.970 4.786 4.557 4.910 . 0 0 "[ . 1 . 2 ]" 1
418 3 39 GLU H 3 39 GLU QG 4.410 . 4.910 2.715 2.132 3.199 . 0 0 "[ . 1 . 2 ]" 1
419 3 39 GLU HA 3 39 GLU QG 3.330 . 3.830 2.475 2.397 2.980 . 0 0 "[ . 1 . 2 ]" 1
420 3 39 GLU H 3 40 GLY H 5.000 . 5.500 4.523 3.696 4.660 . 0 0 "[ . 1 . 2 ]" 1
421 3 39 GLU HA 3 40 GLY H 3.000 . 3.500 2.241 2.197 2.430 . 0 0 "[ . 1 . 2 ]" 1
422 3 39 GLU QB 3 40 GLY H 5.470 . 5.970 3.253 2.996 3.897 . 0 0 "[ . 1 . 2 ]" 1
423 3 39 GLU HA 3 41 CYS H 5.000 . 5.500 4.338 4.193 4.908 . 0 0 "[ . 1 . 2 ]" 1
424 3 40 GLY H 3 41 CYS H 4.000 . 4.500 3.515 2.592 3.695 . 0 0 "[ . 1 . 2 ]" 1
425 3 40 GLY QA 3 41 CYS H 4.410 . 4.910 2.554 2.442 2.689 . 0 0 "[ . 1 . 2 ]" 1
426 3 41 CYS H 3 41 CYS HB2 4.000 . 4.500 2.632 2.502 2.835 . 0 0 "[ . 1 . 2 ]" 1
427 3 41 CYS H 3 41 CYS HB3 3.000 . 3.500 2.373 2.235 2.523 . 0 0 "[ . 1 . 2 ]" 1
428 3 41 CYS HA 3 41 CYS HB2 3.000 . 3.500 2.428 2.350 2.480 . 0 0 "[ . 1 . 2 ]" 1
429 3 41 CYS HA 3 42 GLU H 3.000 . 3.500 2.685 2.502 2.791 . 0 0 "[ . 1 . 2 ]" 1
430 3 41 CYS HB2 3 42 GLU H 5.000 . 5.500 4.659 4.584 4.699 . 0 0 "[ . 1 . 2 ]" 1
431 3 41 CYS HB2 3 58 HIS HE1 5.000 . 5.500 4.119 3.134 4.836 . 0 0 "[ . 1 . 2 ]" 1
432 3 41 CYS HB3 3 58 HIS HE1 5.000 . 5.500 4.041 2.588 5.011 . 0 0 "[ . 1 . 2 ]" 1
433 3 42 GLU H 3 42 GLU HB3 4.000 . 4.500 2.608 2.469 2.815 . 0 0 "[ . 1 . 2 ]" 1
434 3 42 GLU H 3 42 GLU QG 4.410 . 4.910 3.978 3.965 4.023 . 0 0 "[ . 1 . 2 ]" 1
435 3 42 GLU HA 3 42 GLU HB2 3.000 . 3.500 2.528 2.434 2.647 . 0 0 "[ . 1 . 2 ]" 1
436 3 42 GLU HA 3 42 GLU HB3 3.000 . 3.500 3.028 3.014 3.038 . 0 0 "[ . 1 . 2 ]" 1
437 3 42 GLU HA 3 42 GLU QG . . 3.290 2.307 2.210 2.563 . 0 0 "[ . 1 . 2 ]" 1
438 3 42 GLU H 3 43 LYS H 4.000 . 4.500 3.407 2.313 3.692 . 0 0 "[ . 1 . 2 ]" 1
439 3 42 GLU HA 3 43 LYS H 4.000 . 4.500 2.625 2.422 3.497 . 0 0 "[ . 1 . 2 ]" 1
440 3 43 LYS H 3 43 LYS HB2 3.000 . 3.500 2.671 2.505 3.265 . 0 0 "[ . 1 . 2 ]" 1
441 3 43 LYS H 3 43 LYS HB3 4.000 . 4.500 3.659 3.603 3.874 . 0 0 "[ . 1 . 2 ]" 1
442 3 43 LYS H 3 43 LYS QG 4.410 . 4.910 2.130 2.022 2.396 . 0 0 "[ . 1 . 2 ]" 1
443 3 43 LYS HA 3 43 LYS HB3 3.000 . 3.500 2.454 2.402 2.504 . 0 0 "[ . 1 . 2 ]" 1
444 3 43 LYS HA 3 44 GLY H 3.000 . 3.500 2.481 2.219 3.117 . 0 0 "[ . 1 . 2 ]" 1
445 3 43 LYS HB2 3 44 GLY H 4.000 . 4.500 3.401 2.376 3.987 . 0 0 "[ . 1 . 2 ]" 1
446 3 43 LYS HB3 3 44 GLY H 3.000 . 3.500 2.439 1.886 3.046 . 0 0 "[ . 1 . 2 ]" 1
447 3 43 LYS HA 3 45 PHE QE 5.590 . 6.090 4.788 4.591 4.938 . 0 0 "[ . 1 . 2 ]" 1
448 3 43 LYS HB3 3 45 PHE H 5.000 . 5.500 4.856 4.534 5.043 . 0 0 "[ . 1 . 2 ]" 1
449 3 43 LYS QG 3 54 HIS HD2 4.410 . 4.910 3.979 3.957 4.000 . 0 0 "[ . 1 . 2 ]" 1
450 3 43 LYS QG 3 54 HIS HE1 4.410 . 4.910 3.153 2.824 3.954 . 0 0 "[ . 1 . 2 ]" 1
451 1 6 DT Q5' 3 43 LYS QE 5.980 . 6.480 4.315 3.396 4.766 . 0 0 "[ . 1 . 2 ]" 1
452 3 44 GLY H 3 45 PHE H 4.000 . 4.500 3.922 3.015 4.078 . 0 0 "[ . 1 . 2 ]" 1
453 3 44 GLY QA 3 45 PHE H 4.410 . 4.910 2.261 2.191 2.395 . 0 0 "[ . 1 . 2 ]" 1
454 3 45 PHE HA 3 46 THR H 5.000 . 5.500 2.342 2.250 3.290 . 0 0 "[ . 1 . 2 ]" 1
455 3 45 PHE HA 3 46 THR MG 5.690 . 6.190 3.727 3.505 3.927 . 0 0 "[ . 1 . 2 ]" 1
456 3 45 PHE HB3 3 46 THR H 5.000 . 5.500 2.908 2.647 4.187 . 0 0 "[ . 1 . 2 ]" 1
457 3 45 PHE HB2 3 47 SER H 4.000 . 4.500 3.781 3.571 4.003 . 0 0 "[ . 1 . 2 ]" 1
458 3 45 PHE HB3 3 47 SER H 4.000 . 4.500 2.619 2.423 3.179 . 0 0 "[ . 1 . 2 ]" 1
459 3 45 PHE HA 3 51 LEU QD 6.250 . 6.750 4.704 4.657 4.743 . 0 0 "[ . 1 . 2 ]" 1
460 3 45 PHE HB2 3 51 LEU HB2 5.000 . 5.500 2.672 2.325 3.063 . 0 0 "[ . 1 . 2 ]" 1
461 3 45 PHE HB2 3 51 LEU QD 6.250 . 6.750 2.427 2.313 2.587 . 0 0 "[ . 1 . 2 ]" 1
462 3 45 PHE HB3 3 51 LEU QD 6.250 . 6.750 3.626 3.523 3.732 . 0 0 "[ . 1 . 2 ]" 1
463 3 45 PHE QD 3 51 LEU QD 5.590 . 6.090 2.149 2.053 2.374 . 0 0 "[ . 1 . 2 ]" 1
464 1 6 DT H3' 3 45 PHE QD 5.590 . 6.090 4.201 2.731 5.026 . 0 0 "[ . 1 . 2 ]" 1
465 1 6 DT H3' 3 45 PHE QE 5.590 . 6.090 2.794 2.235 3.573 . 0 0 "[ . 1 . 2 ]" 1
466 1 6 DT H3' 3 45 PHE HZ 4.500 . 5.000 3.372 2.610 4.348 . 0 0 "[ . 1 . 2 ]" 1
467 3 46 THR HA 3 46 THR HB 3.000 . 3.500 2.580 2.414 2.680 . 0 0 "[ . 1 . 2 ]" 1
468 3 46 THR HA 3 46 THR MG 3.520 . 4.020 2.243 2.164 2.358 . 0 0 "[ . 1 . 2 ]" 1
469 3 46 THR H 3 47 SER H 4.000 . 4.500 2.578 2.416 3.457 . 0 0 "[ . 1 . 2 ]" 1
470 3 46 THR HA 3 47 SER H 4.000 . 4.500 3.448 3.378 3.538 . 0 0 "[ . 1 . 2 ]" 1
471 3 46 THR HA 3 47 SER HB3 5.000 . 5.500 4.992 4.890 5.046 . 0 0 "[ . 1 . 2 ]" 1
472 3 47 SER HA 3 47 SER HB2 3.000 . 3.500 2.369 2.266 2.604 . 0 0 "[ . 1 . 2 ]" 1
473 3 47 SER HA 3 47 SER HB3 3.000 . 3.500 2.524 2.323 2.641 . 0 0 "[ . 1 . 2 ]" 1
474 3 47 SER H 3 48 LEU H 5.000 . 5.500 4.348 4.280 4.418 . 0 0 "[ . 1 . 2 ]" 1
475 3 47 SER HA 3 48 LEU H 3.000 . 3.500 2.258 2.117 2.385 . 0 0 "[ . 1 . 2 ]" 1
476 3 47 SER HB2 3 48 LEU H 4.000 . 4.500 2.766 2.610 3.061 . 0 0 "[ . 1 . 2 ]" 1
477 3 47 SER HB3 3 48 LEU H 4.000 . 4.500 3.998 3.837 4.071 . 0 0 "[ . 1 . 2 ]" 1
478 3 48 LEU H 3 48 LEU HB2 4.000 . 4.500 2.495 2.405 2.608 . 0 0 "[ . 1 . 2 ]" 1
479 3 48 LEU H 3 48 LEU HB3 3.000 . 3.500 2.470 2.323 2.528 . 0 0 "[ . 1 . 2 ]" 1
480 3 48 LEU HA 3 48 LEU HB2 3.000 . 3.500 2.477 2.442 2.501 . 0 0 "[ . 1 . 2 ]" 1
481 3 48 LEU HA 3 48 LEU QD . . 4.250 2.141 2.103 2.202 . 0 0 "[ . 1 . 2 ]" 1
482 3 48 LEU HB2 3 48 LEU HG 3.000 . 3.500 3.002 2.231 3.043 . 0 0 "[ . 1 . 2 ]" 1
483 3 48 LEU HB3 3 48 LEU HG 3.000 . 3.500 2.455 2.403 2.488 . 0 0 "[ . 1 . 2 ]" 1
484 3 48 LEU H 3 49 HIS QB 5.470 . 5.970 4.661 4.407 4.955 . 0 0 "[ . 1 . 2 ]" 1
485 3 48 LEU HG 3 49 HIS QB 5.470 . 5.970 4.712 4.424 4.919 . 0 0 "[ . 1 . 2 ]" 1
486 3 48 LEU HA 3 51 LEU H 4.000 . 4.500 3.431 3.303 3.539 . 0 0 "[ . 1 . 2 ]" 1
487 3 48 LEU HA 3 51 LEU QD 5.000 . 5.500 3.316 3.109 3.682 . 0 0 "[ . 1 . 2 ]" 1
488 3 48 LEU QD 3 51 LEU QD . . 5.190 2.529 2.244 2.593 . 0 0 "[ . 1 . 2 ]" 1
489 3 48 LEU QD 3 51 LEU HB3 3.750 . 4.250 2.662 2.310 2.804 . 0 0 "[ . 1 . 2 ]" 1
490 3 48 LEU QD 3 52 THR HA 6.250 . 6.750 4.524 4.313 4.685 . 0 0 "[ . 1 . 2 ]" 1
491 2 6 DT M7 3 49 HIS HA 5.690 . 6.190 2.825 2.329 4.414 . 0 0 "[ . 1 . 2 ]" 1
492 2 6 DT M7 3 49 HIS HB2 4.080 . 4.580 2.276 2.037 3.488 . 0 0 "[ . 1 . 2 ]" 1
493 2 6 DT M7 3 49 HIS HB3 4.080 . 4.580 3.156 2.038 3.560 . 0 0 "[ . 1 . 2 ]" 1
494 2 6 DT M7 3 49 HIS HD2 5.160 . 5.660 3.367 2.044 4.394 . 0 0 "[ . 1 . 2 ]" 1
495 2 7 DC H5 3 49 HIS HD2 5.000 . 5.500 4.647 4.097 5.161 . 0 0 "[ . 1 . 2 ]" 1
496 3 51 LEU H 3 51 LEU HB2 4.000 . 4.500 2.374 2.225 2.466 . 0 0 "[ . 1 . 2 ]" 1
497 3 51 LEU H 3 51 LEU HB3 4.000 . 4.500 2.625 2.456 2.768 . 0 0 "[ . 1 . 2 ]" 1
498 3 51 LEU HA 3 51 LEU HG 4.000 . 4.500 2.970 2.796 3.124 . 0 0 "[ . 1 . 2 ]" 1
499 3 51 LEU HA 3 51 LEU QD . . 4.250 2.112 2.060 2.171 . 0 0 "[ . 1 . 2 ]" 1
500 3 51 LEU HB3 3 51 LEU HG 3.000 . 3.500 2.535 2.487 2.581 . 0 0 "[ . 1 . 2 ]" 1
501 3 51 LEU H 3 52 THR H 4.000 . 4.500 2.739 2.660 2.813 . 0 0 "[ . 1 . 2 ]" 1
502 3 51 LEU HB2 3 52 THR H 4.000 . 4.500 3.833 3.665 3.971 . 0 0 "[ . 1 . 2 ]" 1
503 3 51 LEU HB3 3 52 THR H 4.000 . 4.500 2.626 2.478 2.791 . 0 0 "[ . 1 . 2 ]" 1
504 3 51 LEU HG 3 52 THR HA 5.000 . 5.500 4.108 3.885 4.417 . 0 0 "[ . 1 . 2 ]" 1
505 3 51 LEU QD 3 52 THR HA 6.250 . 6.750 4.463 4.313 4.627 . 0 0 "[ . 1 . 2 ]" 1
506 3 51 LEU HA 3 54 HIS H 4.000 . 4.500 3.500 3.331 3.663 . 0 0 "[ . 1 . 2 ]" 1
507 3 51 LEU HA 3 54 HIS HB3 5.000 . 5.500 2.452 2.337 2.637 . 0 0 "[ . 1 . 2 ]" 1
508 3 51 LEU HA 3 54 HIS HD2 5.000 . 5.500 3.807 3.265 4.184 . 0 0 "[ . 1 . 2 ]" 1
509 3 51 LEU QD 3 54 HIS HD2 . . 4.250 2.613 2.270 2.808 . 0 0 "[ . 1 . 2 ]" 1
510 3 51 LEU QD 3 54 HIS HB3 6.250 . 6.750 3.070 2.613 3.376 . 0 0 "[ . 1 . 2 ]" 1
511 3 51 LEU QD 3 55 SER H 6.250 . 6.750 4.258 3.890 4.542 . 0 0 "[ . 1 . 2 ]" 1
512 3 52 THR H 3 52 THR HB 4.000 . 4.500 2.609 2.527 2.658 . 0 0 "[ . 1 . 2 ]" 1
513 3 52 THR HA 3 52 THR HB 3.000 . 3.500 3.034 3.021 3.039 . 0 0 "[ . 1 . 2 ]" 1
514 3 52 THR HA 3 52 THR MG 3.520 . 4.020 2.360 2.313 2.398 . 0 0 "[ . 1 . 2 ]" 1
515 3 52 THR H 3 53 ARG H 4.000 . 4.500 2.880 2.745 2.994 . 0 0 "[ . 1 . 2 ]" 1
516 3 52 THR HB 3 53 ARG H 4.000 . 4.500 2.535 2.417 2.650 . 0 0 "[ . 1 . 2 ]" 1
517 3 52 THR HA 3 55 SER H 4.000 . 4.500 3.400 3.140 3.657 . 0 0 "[ . 1 . 2 ]" 1
518 3 53 ARG H 3 53 ARG QB . . 3.830 2.607 2.097 2.754 . 0 0 "[ . 1 . 2 ]" 1
519 3 53 ARG H 3 54 HIS H 4.000 . 4.500 2.753 2.714 2.844 . 0 0 "[ . 1 . 2 ]" 1
520 3 53 ARG QB 3 54 HIS H 5.470 . 5.970 3.584 2.997 3.768 . 0 0 "[ . 1 . 2 ]" 1
521 3 53 ARG QG 3 54 HIS HB2 5.470 . 5.970 3.819 3.470 4.876 . 0 0 "[ . 1 . 2 ]" 1
522 3 53 ARG HA 3 54 HIS H 4.000 . 4.500 3.592 3.551 3.620 . 0 0 "[ . 1 . 2 ]" 1
523 3 53 ARG HA 3 56 LEU HG 5.000 . 5.500 2.238 2.170 2.371 . 0 0 "[ . 1 . 2 ]" 1
524 3 53 ARG HA 3 56 LEU QD 6.250 . 6.750 2.468 2.222 2.742 . 0 0 "[ . 1 . 2 ]" 1
525 3 53 ARG QB 3 77 THR HB 5.470 . 5.970 4.141 3.528 4.852 . 0 0 "[ . 1 . 2 ]" 1
526 3 53 ARG QB 3 77 THR MG 3.910 . 4.410 2.509 2.245 2.997 . 0 0 "[ . 1 . 2 ]" 1
527 3 53 ARG QD 3 77 THR MG 6.210 . 6.710 2.497 2.106 2.932 . 0 0 "[ . 1 . 2 ]" 1
528 3 53 ARG HD2 3 77 THR MG 4.620 . 5.120 2.785 2.343 3.881 . 0 0 "[ . 1 . 2 ]" 1
529 3 53 ARG HD3 3 77 THR MG 4.620 . 5.120 3.252 2.339 3.872 . 0 0 "[ . 1 . 2 ]" 1
530 3 53 ARG QG 3 77 THR MG 5.080 . 5.580 3.604 2.193 3.852 . 0 0 "[ . 1 . 2 ]" 1
531 1 6 DT M7 3 53 ARG QD 4.500 . 5.000 2.455 2.004 3.348 . 0 0 "[ . 1 . 2 ]" 1
532 3 54 HIS H 3 54 HIS HB2 4.000 . 4.500 2.648 2.541 2.806 . 0 0 "[ . 1 . 2 ]" 1
533 3 54 HIS H 3 54 HIS HB3 4.000 . 4.500 2.409 2.268 2.512 . 0 0 "[ . 1 . 2 ]" 1
534 3 54 HIS HA 3 54 HIS HB2 3.000 . 3.500 2.396 2.319 2.440 . 0 0 "[ . 1 . 2 ]" 1
535 3 54 HIS H 3 55 SER H 4.000 . 4.500 2.772 2.666 2.850 . 0 0 "[ . 1 . 2 ]" 1
536 3 54 HIS HB3 3 55 SER H 4.000 . 4.500 2.662 2.580 2.831 . 0 0 "[ . 1 . 2 ]" 1
537 3 54 HIS HA 3 57 THR H 5.000 . 5.500 3.741 3.540 3.872 . 0 0 "[ . 1 . 2 ]" 1
538 3 54 HIS HA 3 57 THR MG 3.520 . 4.020 2.920 2.605 2.988 . 0 0 "[ . 1 . 2 ]" 1
539 3 55 SER H 3 55 SER HA 3.000 . 3.500 2.807 2.784 2.823 . 0 0 "[ . 1 . 2 ]" 1
540 3 55 SER H 3 56 LEU H 4.000 . 4.500 2.911 2.873 2.944 . 0 0 "[ . 1 . 2 ]" 1
541 3 55 SER HA 3 56 LEU H 5.000 . 5.500 3.524 3.502 3.558 . 0 0 "[ . 1 . 2 ]" 1
542 3 55 SER QB 3 56 LEU H 4.410 . 4.910 3.276 2.909 3.832 . 0 0 "[ . 1 . 2 ]" 1
543 3 55 SER H 3 57 THR H 5.000 . 5.500 4.472 4.375 4.514 . 0 0 "[ . 1 . 2 ]" 1
544 3 55 SER HA 3 58 HIS H 4.000 . 4.500 3.020 2.898 3.302 . 0 0 "[ . 1 . 2 ]" 1
545 3 55 SER HA 3 58 HIS HD2 5.000 . 5.500 2.896 2.243 3.446 . 0 0 "[ . 1 . 2 ]" 1
546 3 55 SER QB 3 58 HIS HD2 4.410 . 4.910 3.908 3.464 4.004 . 0 0 "[ . 1 . 2 ]" 1
547 3 56 LEU H 3 56 LEU HB2 3.000 . 3.500 2.591 2.527 2.713 . 0 0 "[ . 1 . 2 ]" 1
548 3 56 LEU H 3 56 LEU HB3 4.000 . 4.500 3.635 3.616 3.658 . 0 0 "[ . 1 . 2 ]" 1
549 3 56 LEU HA 3 56 LEU HG 4.000 . 4.500 3.080 2.927 3.205 . 0 0 "[ . 1 . 2 ]" 1
550 3 56 LEU HA 3 56 LEU QD . . 4.250 2.184 2.154 2.226 . 0 0 "[ . 1 . 2 ]" 1
551 3 56 LEU HB3 3 56 LEU HG 3.000 . 3.500 3.033 3.025 3.043 . 0 0 "[ . 1 . 2 ]" 1
552 3 56 LEU H 3 57 THR H 4.000 . 4.500 2.694 2.619 2.877 . 0 0 "[ . 1 . 2 ]" 1
553 3 56 LEU H 3 57 THR MG 5.690 . 6.190 3.977 3.840 4.177 . 0 0 "[ . 1 . 2 ]" 1
554 3 56 LEU HA 3 57 THR H 5.000 . 5.500 3.565 3.553 3.579 . 0 0 "[ . 1 . 2 ]" 1
555 3 56 LEU HB2 3 57 THR H 4.000 . 4.500 2.861 2.793 2.977 . 0 0 "[ . 1 . 2 ]" 1
556 3 56 LEU HA 3 59 THR MG 4.620 . 5.120 3.859 3.786 3.875 . 0 0 "[ . 1 . 2 ]" 1
557 3 56 LEU HA 3 61 GLU HB3 5.000 . 5.500 4.430 4.083 5.003 . 0 0 "[ . 1 . 2 ]" 1
558 3 56 LEU HA 3 61 GLU QG 4.410 . 4.910 3.851 3.604 3.954 . 0 0 "[ . 1 . 2 ]" 1
559 3 56 LEU QD 3 61 GLU H 6.250 . 6.750 3.653 3.427 3.822 . 0 0 "[ . 1 . 2 ]" 1
560 3 56 LEU QD 3 61 GLU HA 6.250 . 6.750 4.289 4.176 4.400 . 0 0 "[ . 1 . 2 ]" 1
561 3 56 LEU QD 3 61 GLU HB2 3.750 . 4.250 2.127 2.068 2.176 . 0 0 "[ . 1 . 2 ]" 1
562 3 56 LEU QD 3 61 GLU HB3 5.000 . 5.500 2.653 2.380 3.063 . 0 0 "[ . 1 . 2 ]" 1
563 3 56 LEU QD 3 61 GLU QG 5.470 . 5.970 3.343 2.978 3.622 . 0 0 "[ . 1 . 2 ]" 1
564 3 56 LEU HB3 3 76 THR HA 5.000 . 5.500 4.355 4.174 4.508 . 0 0 "[ . 1 . 2 ]" 1
565 3 56 LEU QD 3 76 THR HB 6.250 . 6.750 3.865 3.482 4.068 . 0 0 "[ . 1 . 2 ]" 1
566 3 56 LEU QD 3 76 THR HA 5.000 . 5.500 3.755 3.712 3.806 . 0 0 "[ . 1 . 2 ]" 1
567 3 56 LEU HG 3 77 THR MG 5.690 . 6.190 4.689 4.346 4.788 . 0 0 "[ . 1 . 2 ]" 1
568 3 56 LEU QD 3 77 THR HB 6.250 . 6.750 4.257 3.788 4.648 . 0 0 "[ . 1 . 2 ]" 1
569 3 57 THR H 3 57 THR HA 3.000 . 3.500 2.872 2.859 2.886 . 0 0 "[ . 1 . 2 ]" 1
570 3 57 THR H 3 57 THR HB 4.000 . 4.500 3.623 3.606 3.640 . 0 0 "[ . 1 . 2 ]" 1
571 3 57 THR HA 3 57 THR HB 2.500 . 3.000 2.392 2.349 2.422 . 0 0 "[ . 1 . 2 ]" 1
572 3 57 THR HA 3 57 THR MG 2.960 . 3.460 2.422 2.390 2.453 . 0 0 "[ . 1 . 2 ]" 1
573 3 57 THR H 3 58 HIS H 3.000 . 3.500 2.621 2.576 2.654 . 0 0 "[ . 1 . 2 ]" 1
574 3 57 THR HB 3 58 HIS H 4.000 . 4.500 3.997 3.934 4.032 . 0 0 "[ . 1 . 2 ]" 1
575 3 57 THR MG 3 58 HIS H 5.690 . 6.190 3.962 3.905 4.020 . 0 0 "[ . 1 . 2 ]" 1
576 3 57 THR HA 3 76 THR MG 5.690 . 6.190 4.129 3.796 4.682 . 0 0 "[ . 1 . 2 ]" 1
577 3 57 THR MG 3 76 THR HB 5.690 . 6.190 3.931 3.329 4.331 . 0 0 "[ . 1 . 2 ]" 1
578 1 4 DG H2'' 3 57 THR MG 6.740 . 7.240 4.088 3.466 4.550 . 0 0 "[ . 1 . 2 ]" 1
579 1 5 DA H3' 3 57 THR HB 5.000 . 5.500 4.530 3.715 5.028 . 0 0 "[ . 1 . 2 ]" 1
580 1 5 DA H1' 3 57 THR MG 6.740 . 7.240 5.388 4.885 5.649 . 0 0 "[ . 1 . 2 ]" 1
581 1 5 DA H2' 3 57 THR MG 5.690 . 6.190 3.089 2.501 3.493 . 0 0 "[ . 1 . 2 ]" 1
582 1 5 DA H3' 3 57 THR MG 4.080 . 4.580 2.552 2.239 3.042 . 0 0 "[ . 1 . 2 ]" 1
583 1 5 DA H8 3 57 THR MG 6.740 . 7.240 4.380 3.869 4.860 . 0 0 "[ . 1 . 2 ]" 1
584 1 5 DA H4' 3 57 THR MG 6.440 . 6.940 3.608 3.391 3.874 . 0 0 "[ . 1 . 2 ]" 1
585 1 5 DA Q5' 3 57 THR MG 6.210 . 6.710 3.708 3.493 3.979 . 0 0 "[ . 1 . 2 ]" 1
586 1 6 DT M7 3 57 THR MG 7.540 . 8.040 4.113 3.570 4.647 . 0 0 "[ . 1 . 2 ]" 1
587 3 58 HIS H 3 58 HIS HB2 4.000 . 4.500 2.422 2.315 2.500 . 0 0 "[ . 1 . 2 ]" 1
588 3 58 HIS H 3 58 HIS HB3 4.000 . 4.500 3.593 3.570 3.606 . 0 0 "[ . 1 . 2 ]" 1
589 3 58 HIS H 3 58 HIS HD2 5.000 . 5.500 3.948 3.072 4.520 . 0 0 "[ . 1 . 2 ]" 1
590 3 58 HIS H 3 59 THR H 4.000 . 4.500 2.469 2.415 2.511 . 0 0 "[ . 1 . 2 ]" 1
591 3 58 HIS H 3 59 THR MG 5.690 . 6.190 4.170 4.073 4.262 . 0 0 "[ . 1 . 2 ]" 1
592 3 58 HIS HB2 3 59 THR H 4.000 . 4.500 2.434 2.279 2.568 . 0 0 "[ . 1 . 2 ]" 1
593 3 58 HIS HB2 3 59 THR MG 4.620 . 5.120 3.035 2.844 3.310 . 0 0 "[ . 1 . 2 ]" 1
594 3 58 HIS HB3 3 59 THR MG 4.620 . 5.120 3.824 3.625 3.890 . 0 0 "[ . 1 . 2 ]" 1
595 3 59 THR HA 3 59 THR MG 3.520 . 4.020 2.331 2.301 2.355 . 0 0 "[ . 1 . 2 ]" 1
596 3 59 THR HA 3 60 GLY H 4.000 . 4.500 3.524 3.505 3.546 . 0 0 "[ . 1 . 2 ]" 1
597 3 59 THR HB 3 61 GLU H 4.000 . 4.500 3.645 3.467 3.791 . 0 0 "[ . 1 . 2 ]" 1
598 3 59 THR HB 3 61 GLU HB3 5.000 . 5.500 5.052 5.001 5.115 . 0 0 "[ . 1 . 2 ]" 1
599 3 59 THR HB 3 61 GLU QG 3.330 . 3.830 2.213 2.138 2.302 . 0 0 "[ . 1 . 2 ]" 1
600 3 59 THR MG 3 61 GLU QG 6.210 . 6.710 3.466 3.287 3.647 . 0 0 "[ . 1 . 2 ]" 1
601 3 60 GLY H 3 61 GLU H 4.000 . 4.500 2.360 2.298 2.468 . 0 0 "[ . 1 . 2 ]" 1
602 3 60 GLY QA 3 61 GLU H 4.410 . 4.910 2.839 2.751 2.906 . 0 0 "[ . 1 . 2 ]" 1
603 3 61 GLU H 3 61 GLU HB2 3.000 . 3.500 2.323 2.249 2.410 . 0 0 "[ . 1 . 2 ]" 1
604 3 61 GLU H 3 61 GLU QG 4.410 . 4.910 2.547 2.342 2.738 . 0 0 "[ . 1 . 2 ]" 1
605 3 61 GLU HA 3 61 GLU HB2 3.000 . 3.500 3.019 3.012 3.028 . 0 0 "[ . 1 . 2 ]" 1
606 3 61 GLU HA 3 61 GLU HB3 3.000 . 3.500 2.555 2.493 2.630 . 0 0 "[ . 1 . 2 ]" 1
607 3 61 GLU HA 3 61 GLU QG 3.330 . 3.830 2.612 2.281 2.914 . 0 0 "[ . 1 . 2 ]" 1
608 3 61 GLU HA 3 62 LYS H 3.000 . 3.500 2.558 2.417 2.686 . 0 0 "[ . 1 . 2 ]" 1
609 3 61 GLU HB3 3 62 LYS H 5.000 . 5.500 4.422 4.367 4.465 . 0 0 "[ . 1 . 2 ]" 1
610 3 61 GLU HB3 3 63 ASN QD 4.410 . 4.910 2.812 2.069 3.970 . 0 0 "[ . 1 . 2 ]" 1
611 3 62 LYS H 3 62 LYS HB2 4.000 . 4.500 2.476 2.382 2.601 . 0 0 "[ . 1 . 2 ]" 1
612 3 62 LYS HA 3 62 LYS HB2 3.000 . 3.500 2.503 2.453 2.611 . 0 0 "[ . 1 . 2 ]" 1
613 3 62 LYS HA 3 62 LYS HB3 3.000 . 3.500 3.041 3.037 3.045 . 0 0 "[ . 1 . 2 ]" 1
614 3 62 LYS HA 3 62 LYS QG 3.330 . 3.830 2.506 2.358 2.621 . 0 0 "[ . 1 . 2 ]" 1
615 3 62 LYS HB2 3 62 LYS QD 2.790 . 3.290 2.357 2.238 2.642 . 0 0 "[ . 1 . 2 ]" 1
616 3 62 LYS HA 3 63 ASN H 3.000 . 3.500 2.493 2.269 2.572 . 0 0 "[ . 1 . 2 ]" 1
617 3 62 LYS HB2 3 63 ASN H 5.000 . 5.500 4.631 4.596 4.706 . 0 0 "[ . 1 . 2 ]" 1
618 3 62 LYS HB3 3 63 ASN H 5.000 . 5.500 4.432 4.282 4.545 . 0 0 "[ . 1 . 2 ]" 1
619 3 62 LYS QG 3 63 ASN H 5.470 . 5.970 4.179 3.306 4.331 . 0 0 "[ . 1 . 2 ]" 1
620 3 62 LYS HA 3 64 PHE H 4.000 . 4.500 3.650 3.488 4.003 . 0 0 "[ . 1 . 2 ]" 1
621 3 62 LYS QG 3 75 PHE HA 5.470 . 5.970 3.239 2.866 3.548 . 0 0 "[ . 1 . 2 ]" 1
622 3 62 LYS HA 3 76 THR HA 2.500 . 3.000 2.471 2.296 2.571 . 0 0 "[ . 1 . 2 ]" 1
623 3 62 LYS HA 3 76 THR MG 4.620 . 5.120 3.521 3.215 3.855 . 0 0 "[ . 1 . 2 ]" 1
624 3 62 LYS QE 3 76 THR MG 3.910 . 4.410 2.550 2.174 2.919 . 0 0 "[ . 1 . 2 ]" 1
625 3 62 LYS QG 3 76 THR HA 4.410 . 4.910 2.767 2.344 3.185 . 0 0 "[ . 1 . 2 ]" 1
626 3 62 LYS QG 3 76 THR MG . . 4.410 2.483 2.344 2.770 . 0 0 "[ . 1 . 2 ]" 1
627 1 4 DG H3' 3 62 LYS QE 4.410 . 4.910 3.419 2.743 3.881 . 0 0 "[ . 1 . 2 ]" 1
628 1 4 DG H4' 3 62 LYS QE 5.470 . 5.970 4.521 3.973 4.896 . 0 0 "[ . 1 . 2 ]" 1
629 1 4 DG Q5' 3 62 LYS QE 4.860 . 5.360 2.433 2.123 2.751 . 0 0 "[ . 1 . 2 ]" 1
630 3 63 ASN H 3 63 ASN HA 3.000 . 3.500 2.994 2.962 3.016 . 0 0 "[ . 1 . 2 ]" 1
631 3 63 ASN H 3 63 ASN HB2 4.000 . 4.500 2.562 2.435 2.745 . 0 0 "[ . 1 . 2 ]" 1
632 3 63 ASN H 3 63 ASN QD 5.470 . 5.970 3.130 2.515 3.957 . 0 0 "[ . 1 . 2 ]" 1
633 3 63 ASN HA 3 63 ASN HB2 3.000 . 3.500 3.029 3.017 3.051 . 0 0 "[ . 1 . 2 ]" 1
634 3 63 ASN HA 3 63 ASN HB3 3.000 . 3.500 2.462 2.377 2.603 . 0 0 "[ . 1 . 2 ]" 1
635 3 63 ASN H 3 64 PHE H 4.000 . 4.500 2.500 1.969 2.733 . 0 0 "[ . 1 . 2 ]" 1
636 3 63 ASN HB2 3 64 PHE H 5.000 . 5.500 3.663 3.309 3.889 . 0 0 "[ . 1 . 2 ]" 1
637 3 63 ASN HB2 3 64 PHE QE 5.590 . 6.090 4.560 3.981 4.993 . 0 0 "[ . 1 . 2 ]" 1
638 3 63 ASN HA 3 75 PHE H 5.000 . 5.500 5.049 4.956 5.128 . 0 0 "[ . 1 . 2 ]" 1
639 3 64 PHE H 3 64 PHE HB2 4.000 . 4.500 2.471 2.435 2.518 . 0 0 "[ . 1 . 2 ]" 1
640 3 64 PHE H 3 64 PHE QD 3.360 . 3.860 2.564 2.393 2.684 . 0 0 "[ . 1 . 2 ]" 1
641 3 64 PHE HA 3 64 PHE HB3 3.000 . 3.500 2.461 2.430 2.490 . 0 0 "[ . 1 . 2 ]" 1
642 3 64 PHE HA 3 64 PHE QE 5.590 . 6.090 4.196 4.127 4.287 . 0 0 "[ . 1 . 2 ]" 1
643 3 64 PHE HA 3 65 THR H 3.000 . 3.500 2.125 2.097 2.151 . 0 0 "[ . 1 . 2 ]" 1
644 3 64 PHE HB3 3 65 THR H 4.000 . 4.500 4.010 3.936 4.041 . 0 0 "[ . 1 . 2 ]" 1
645 3 64 PHE H 3 75 PHE H 4.000 . 4.500 3.249 3.082 3.379 . 0 0 "[ . 1 . 2 ]" 1
646 3 64 PHE QD 3 77 THR HA 4.480 . 4.980 2.908 2.697 3.302 . 0 0 "[ . 1 . 2 ]" 1
647 3 64 PHE QE 3 77 THR HA 4.480 . 4.980 3.106 2.832 3.561 . 0 0 "[ . 1 . 2 ]" 1
648 3 64 PHE QD 3 78 LYS H 4.480 . 4.980 3.853 3.727 3.997 . 0 0 "[ . 1 . 2 ]" 1
649 3 64 PHE QE 3 78 LYS H 4.480 . 4.980 3.956 3.785 4.028 . 0 0 "[ . 1 . 2 ]" 1
650 3 64 PHE QD 3 81 MET ME 6.360 . 6.860 3.227 3.074 3.475 . 0 0 "[ . 1 . 2 ]" 1
651 3 64 PHE QE 3 81 MET ME 6.360 . 6.860 4.761 4.738 4.803 . 0 0 "[ . 1 . 2 ]" 1
652 3 65 THR H 3 65 THR HB 4.000 . 4.500 2.455 2.401 2.515 . 0 0 "[ . 1 . 2 ]" 1
653 3 65 THR HA 3 65 THR HB 3.000 . 3.500 3.027 3.020 3.030 . 0 0 "[ . 1 . 2 ]" 1
654 3 65 THR HA 3 65 THR MG 3.520 . 4.020 2.353 2.329 2.381 . 0 0 "[ . 1 . 2 ]" 1
655 3 65 THR HA 3 66 CYS H 3.000 . 3.500 2.170 2.125 2.207 . 0 0 "[ . 1 . 2 ]" 1
656 3 65 THR HB 3 66 CYS H 5.000 . 5.500 4.309 4.223 4.414 . 0 0 "[ . 1 . 2 ]" 1
657 3 65 THR MG 3 66 CYS H 4.620 . 5.120 2.999 2.832 3.258 . 0 0 "[ . 1 . 2 ]" 1
658 3 65 THR MG 3 67 ASP HA 4.620 . 5.120 3.675 3.198 3.878 . 0 0 "[ . 1 . 2 ]" 1
659 3 65 THR MG 3 67 ASP QB 6.210 . 6.710 4.636 4.626 4.651 . 0 0 "[ . 1 . 2 ]" 1
660 3 65 THR MG 3 72 ASP HA 4.620 . 5.120 2.869 2.319 3.019 . 0 0 "[ . 1 . 2 ]" 1
661 3 65 THR MG 3 72 ASP HB2 4.620 . 5.120 3.830 3.717 3.866 . 0 0 "[ . 1 . 2 ]" 1
662 3 65 THR MG 3 72 ASP HB3 5.690 . 6.190 2.465 2.352 2.524 . 0 0 "[ . 1 . 2 ]" 1
663 3 65 THR HA 3 74 ARG HA 3.000 . 3.500 2.185 2.113 2.235 . 0 0 "[ . 1 . 2 ]" 1
664 3 65 THR HA 3 74 ARG QG 4.410 . 4.910 2.783 2.618 2.967 . 0 0 "[ . 1 . 2 ]" 1
665 3 65 THR HB 3 74 ARG HA 5.000 . 5.500 4.956 4.799 5.014 . 0 0 "[ . 1 . 2 ]" 1
666 3 65 THR HB 3 74 ARG QG 5.470 . 5.970 4.304 4.156 4.726 . 0 0 "[ . 1 . 2 ]" 1
667 3 65 THR MG 3 74 ARG HA 4.620 . 5.120 3.716 3.570 3.861 . 0 0 "[ . 1 . 2 ]" 1
668 3 65 THR MG 3 74 ARG QD 5.080 . 5.580 3.731 3.342 3.780 . 0 0 "[ . 1 . 2 ]" 1
669 3 65 THR MG 3 74 ARG QG 3.910 . 4.410 2.583 2.433 2.692 . 0 0 "[ . 1 . 2 ]" 1
670 3 65 THR HA 3 75 PHE H 4.000 . 4.500 3.560 3.405 3.692 . 0 0 "[ . 1 . 2 ]" 1
671 3 66 CYS H 3 66 CYS QB 3.330 . 3.830 2.155 2.129 2.196 . 0 0 "[ . 1 . 2 ]" 1
672 3 66 CYS HA 3 67 ASP H 3.000 . 3.500 2.195 2.164 2.261 . 0 0 "[ . 1 . 2 ]" 1
673 3 66 CYS HA 3 67 ASP QB 5.470 . 5.970 4.161 4.050 4.513 . 0 0 "[ . 1 . 2 ]" 1
674 3 66 CYS QB 3 67 ASP H 5.470 . 5.970 3.892 3.633 3.995 . 0 0 "[ . 1 . 2 ]" 1
675 3 66 CYS H 3 74 ARG HA 4.000 . 4.500 3.452 3.284 3.688 . 0 0 "[ . 1 . 2 ]" 1
676 3 66 CYS H 3 75 PHE QE 5.590 . 6.090 3.209 2.889 3.922 . 0 0 "[ . 1 . 2 ]" 1
677 3 66 CYS QB 3 75 PHE QE 6.120 . 6.620 2.141 2.066 2.196 . 0 0 "[ . 1 . 2 ]" 1
678 3 66 CYS HA 3 81 MET ME 5.690 . 6.190 4.545 4.363 4.746 . 0 0 "[ . 1 . 2 ]" 1
679 3 66 CYS QB 3 81 MET HG2 5.980 . 6.480 3.886 2.908 4.586 . 0 0 "[ . 1 . 2 ]" 1
680 3 67 ASP H 3 68 SER H 4.000 . 4.500 3.802 3.245 3.865 . 0 0 "[ . 1 . 2 ]" 1
681 3 67 ASP HA 3 68 SER H 4.000 . 4.500 2.451 2.372 3.501 . 0 0 "[ . 1 . 2 ]" 1
682 3 67 ASP QB 3 85 PHE QE 6.120 . 6.620 3.779 3.043 4.865 . 0 0 "[ . 1 . 2 ]" 1
683 3 68 SER H 3 68 SER HB2 4.000 . 4.500 3.256 3.054 3.371 . 0 0 "[ . 1 . 2 ]" 1
684 3 68 SER H 3 68 SER HB3 4.000 . 4.500 2.903 2.756 3.622 . 0 0 "[ . 1 . 2 ]" 1
685 3 68 SER HA 3 69 ASP H 3.000 . 3.500 2.231 2.186 3.005 . 0 0 "[ . 1 . 2 ]" 1
686 3 68 SER HB2 3 69 ASP H 5.000 . 5.500 4.443 3.406 4.540 . 0 0 "[ . 1 . 2 ]" 1
687 3 68 SER HB3 3 71 CYS H 4.000 . 4.500 3.842 3.050 3.927 . 0 0 "[ . 1 . 2 ]" 1
688 3 68 SER HB3 3 71 CYS HB2 4.000 . 4.500 3.961 2.861 4.023 . 0 0 "[ . 1 . 2 ]" 1
689 3 68 SER HB3 3 71 CYS HB3 4.000 . 4.500 2.304 2.266 2.348 . 0 0 "[ . 1 . 2 ]" 1
690 3 68 SER HB2 3 85 PHE QE 5.590 . 6.090 3.211 2.915 3.533 . 0 0 "[ . 1 . 2 ]" 1
691 3 68 SER HB3 3 85 PHE QE 5.590 . 6.090 4.748 4.404 4.995 . 0 0 "[ . 1 . 2 ]" 1
692 3 69 ASP HA 3 70 GLY H 3.000 . 3.500 2.236 2.206 2.560 . 0 0 "[ . 1 . 2 ]" 1
693 3 70 GLY QA 3 71 CYS H 5.470 . 5.970 2.589 2.547 2.770 . 0 0 "[ . 1 . 2 ]" 1
694 3 71 CYS H 3 71 CYS HB2 3.000 . 3.500 2.659 2.629 2.700 . 0 0 "[ . 1 . 2 ]" 1
695 3 71 CYS H 3 71 CYS HB3 3.000 . 3.500 2.334 2.251 2.453 . 0 0 "[ . 1 . 2 ]" 1
696 3 71 CYS H 3 72 ASP H 4.000 . 4.500 3.387 3.331 3.538 . 0 0 "[ . 1 . 2 ]" 1
697 3 71 CYS HA 3 72 ASP H 3.000 . 3.500 2.736 2.546 2.780 . 0 0 "[ . 1 . 2 ]" 1
698 3 71 CYS HB3 3 72 ASP H 5.000 . 5.500 4.373 4.345 4.418 . 0 0 "[ . 1 . 2 ]" 1
699 3 71 CYS HA 3 73 LEU H 5.000 . 5.500 3.700 3.603 4.226 . 0 0 "[ . 1 . 2 ]" 1
700 3 72 ASP H 3 72 ASP HB2 4.000 . 4.500 2.445 2.422 2.467 . 0 0 "[ . 1 . 2 ]" 1
701 3 72 ASP H 3 72 ASP HB3 4.000 . 4.500 3.630 3.618 3.642 . 0 0 "[ . 1 . 2 ]" 1
702 3 72 ASP HA 3 72 ASP HB2 3.000 . 3.500 3.028 3.020 3.031 . 0 0 "[ . 1 . 2 ]" 1
703 3 72 ASP HA 3 72 ASP HB3 3.000 . 3.500 2.459 2.446 2.488 . 0 0 "[ . 1 . 2 ]" 1
704 3 72 ASP H 3 73 LEU H 4.000 . 4.500 3.439 3.397 3.709 . 0 0 "[ . 1 . 2 ]" 1
705 3 72 ASP H 3 73 LEU QD 6.250 . 6.750 4.567 4.345 4.663 . 0 0 "[ . 1 . 2 ]" 1
706 3 72 ASP HA 3 73 LEU H 5.000 . 5.500 2.627 2.533 2.660 . 0 0 "[ . 1 . 2 ]" 1
707 3 73 LEU H 3 73 LEU HB2 3.000 . 3.500 2.339 2.314 2.417 . 0 0 "[ . 1 . 2 ]" 1
708 3 73 LEU H 3 73 LEU HB3 4.000 . 4.500 3.593 3.582 3.615 . 0 0 "[ . 1 . 2 ]" 1
709 3 73 LEU H 3 73 LEU HG 4.000 . 4.500 2.534 2.336 2.670 . 0 0 "[ . 1 . 2 ]" 1
710 3 73 LEU HA 3 73 LEU HB3 3.000 . 3.500 2.561 2.498 2.581 . 0 0 "[ . 1 . 2 ]" 1
711 3 73 LEU HA 3 73 LEU HG 3.000 . 3.500 2.982 2.909 3.051 . 0 0 "[ . 1 . 2 ]" 1
712 3 73 LEU HA 3 73 LEU QD . . 3.620 2.145 2.114 2.175 . 0 0 "[ . 1 . 2 ]" 1
713 3 73 LEU HB2 3 73 LEU HG 2.500 . 3.000 2.501 2.454 2.519 . 0 0 "[ . 1 . 2 ]" 1
714 3 73 LEU H 3 74 ARG H 5.000 . 5.500 4.597 4.352 4.652 . 0 0 "[ . 1 . 2 ]" 1
715 3 73 LEU HA 3 74 ARG H 3.000 . 3.500 2.188 2.130 2.233 . 0 0 "[ . 1 . 2 ]" 1
716 3 73 LEU HB3 3 74 ARG H 4.000 . 4.500 3.283 3.093 3.577 . 0 0 "[ . 1 . 2 ]" 1
717 3 73 LEU QD 3 74 ARG H 5.000 . 5.500 3.460 3.336 3.657 . 0 0 "[ . 1 . 2 ]" 1
718 3 73 LEU HB2 3 75 PHE QE 5.590 . 6.090 2.259 2.178 3.099 . 0 0 "[ . 1 . 2 ]" 1
719 3 73 LEU QD 3 75 PHE QE 6.960 . 7.460 3.200 2.476 3.292 . 0 0 "[ . 1 . 2 ]" 1
720 3 73 LEU QD 3 75 PHE HZ 5.000 . 5.500 2.435 2.351 2.597 . 0 0 "[ . 1 . 2 ]" 1
721 3 73 LEU QD 3 84 HIS HD2 6.250 . 6.750 4.360 4.171 4.589 . 0 0 "[ . 1 . 2 ]" 1
722 3 73 LEU QD 3 84 HIS HE1 3.750 . 4.250 2.710 2.569 2.802 . 0 0 "[ . 1 . 2 ]" 1
723 1 3 DG H4' 3 73 LEU QD 6.250 . 6.750 4.666 4.641 4.683 . 0 0 "[ . 1 . 2 ]" 1
724 1 3 DG Q5' 3 73 LEU QD 5.470 . 5.970 2.940 2.821 3.067 . 0 0 "[ . 1 . 2 ]" 1
725 3 74 ARG H 3 74 ARG HB2 4.000 . 4.500 2.519 2.309 2.771 . 0 0 "[ . 1 . 2 ]" 1
726 3 74 ARG H 3 74 ARG HB3 4.000 . 4.500 3.643 3.558 3.733 . 0 0 "[ . 1 . 2 ]" 1
727 3 74 ARG H 3 74 ARG QG 4.410 . 4.910 2.513 2.314 2.783 . 0 0 "[ . 1 . 2 ]" 1
728 3 74 ARG HA 3 74 ARG HB3 3.000 . 3.500 2.403 2.282 2.526 . 0 0 "[ . 1 . 2 ]" 1
729 3 74 ARG HA 3 74 ARG QG 3.330 . 3.830 2.423 2.304 2.574 . 0 0 "[ . 1 . 2 ]" 1
730 3 74 ARG HB3 3 74 ARG QD 3.330 . 3.830 2.708 2.333 3.028 . 0 0 "[ . 1 . 2 ]" 1
731 3 74 ARG HA 3 75 PHE H 3.000 . 3.500 2.170 2.139 2.244 . 0 0 "[ . 1 . 2 ]" 1
732 3 74 ARG HA 3 75 PHE QD 5.590 . 6.090 3.394 3.041 4.166 . 0 0 "[ . 1 . 2 ]" 1
733 3 74 ARG HB2 3 75 PHE H 5.000 . 5.500 4.258 3.944 4.481 . 0 0 "[ . 1 . 2 ]" 1
734 3 74 ARG HB2 3 75 PHE HA 5.000 . 5.500 4.970 4.826 5.052 . 0 0 "[ . 1 . 2 ]" 1
735 3 74 ARG HB3 3 75 PHE H 5.000 . 5.500 3.441 2.959 3.918 . 0 0 "[ . 1 . 2 ]" 1
736 3 74 ARG QG 3 75 PHE H 5.470 . 5.970 4.250 3.968 4.477 . 0 0 "[ . 1 . 2 ]" 1
737 3 75 PHE H 3 75 PHE HB2 4.000 . 4.500 2.528 2.448 2.760 . 0 0 "[ . 1 . 2 ]" 1
738 3 75 PHE H 3 75 PHE QD 4.480 . 4.980 2.507 2.267 3.053 . 0 0 "[ . 1 . 2 ]" 1
739 3 75 PHE HA 3 76 THR H 4.000 . 4.500 2.361 2.316 2.470 . 0 0 "[ . 1 . 2 ]" 1
740 3 75 PHE HA 3 76 THR MG 5.690 . 6.190 3.834 3.698 4.083 . 0 0 "[ . 1 . 2 ]" 1
741 3 75 PHE HB2 3 77 THR H 5.000 . 5.500 3.827 3.489 4.241 . 0 0 "[ . 1 . 2 ]" 1
742 3 75 PHE HB3 3 77 THR H 4.000 . 4.500 3.061 2.703 3.508 . 0 0 "[ . 1 . 2 ]" 1
743 3 75 PHE HB3 3 80 ASN QB 4.410 . 4.910 2.284 2.022 2.525 . 0 0 "[ . 1 . 2 ]" 1
744 3 75 PHE QD 3 80 ASN QB 4.940 . 5.440 2.553 2.325 3.672 . 0 0 "[ . 1 . 2 ]" 1
745 3 75 PHE HB2 3 81 MET H 4.000 . 4.500 3.170 2.985 3.442 . 0 0 "[ . 1 . 2 ]" 1
746 3 75 PHE HB3 3 81 MET H 4.000 . 4.500 3.335 3.127 3.995 . 0 0 "[ . 1 . 2 ]" 1
747 3 75 PHE QD 3 81 MET HA 5.590 . 6.090 2.996 2.302 3.260 . 0 0 "[ . 1 . 2 ]" 1
748 1 3 DG H2'' 3 75 PHE QD 5.590 . 6.090 2.653 2.441 4.410 . 0 0 "[ . 1 . 2 ]" 1
749 1 3 DG H3' 3 75 PHE QD 3.920 . 4.420 2.510 2.464 2.661 . 0 0 "[ . 1 . 2 ]" 1
750 1 3 DG H4' 3 75 PHE QD 5.590 . 6.090 5.024 4.801 5.064 . 0 0 "[ . 1 . 2 ]" 1
751 1 3 DG H2'' 3 75 PHE QE 6.690 . 7.190 3.678 3.477 4.858 . 0 0 "[ . 1 . 2 ]" 1
752 1 3 DG H3' 3 75 PHE QE 3.920 . 4.420 2.381 2.303 2.483 . 0 0 "[ . 1 . 2 ]" 1
753 1 3 DG Q5' 3 75 PHE QE 6.120 . 6.620 2.748 2.526 3.078 . 0 0 "[ . 1 . 2 ]" 1
754 1 3 DG H3' 3 75 PHE HZ 6.000 . 6.500 4.107 3.903 4.285 . 0 0 "[ . 1 . 2 ]" 1
755 3 76 THR HA 3 76 THR HB 3.000 . 3.500 2.624 2.575 2.693 . 0 0 "[ . 1 . 2 ]" 1
756 3 76 THR HA 3 76 THR MG 3.520 . 4.020 2.234 2.201 2.261 . 0 0 "[ . 1 . 2 ]" 1
757 3 76 THR H 3 77 THR H 4.000 . 4.500 2.731 2.597 2.945 . 0 0 "[ . 1 . 2 ]" 1
758 3 76 THR HA 3 77 THR H 4.000 . 4.500 3.616 3.584 3.669 . 0 0 "[ . 1 . 2 ]" 1
759 3 76 THR HB 3 77 THR MG 3.520 . 4.020 2.700 2.454 2.941 . 0 0 "[ . 1 . 2 ]" 1
760 3 76 THR MG 3 77 THR MG 6.440 . 6.940 4.075 3.874 4.333 . 0 0 "[ . 1 . 2 ]" 1
761 1 4 DG H3' 3 76 THR HB 5.000 . 5.500 4.701 4.476 4.947 . 0 0 "[ . 1 . 2 ]" 1
762 1 4 DG H1' 3 76 THR MG 6.740 . 7.240 4.641 4.396 4.813 . 0 0 "[ . 1 . 2 ]" 1
763 1 4 DG H2' 3 76 THR MG 4.620 . 5.120 2.377 2.129 2.480 . 0 0 "[ . 1 . 2 ]" 1
764 1 4 DG H2'' 3 76 THR MG 4.620 . 5.120 2.839 2.506 3.102 . 0 0 "[ . 1 . 2 ]" 1
765 1 4 DG H3' 3 76 THR MG 4.080 . 4.580 2.185 2.099 2.256 . 0 0 "[ . 1 . 2 ]" 1
766 1 4 DG H4' 3 76 THR MG 5.690 . 6.190 4.424 4.347 4.536 . 0 0 "[ . 1 . 2 ]" 1
767 1 4 DG H8 3 76 THR MG 5.690 . 6.190 4.115 3.788 4.337 . 0 0 "[ . 1 . 2 ]" 1
768 1 4 DG Q5' 3 76 THR MG 4.500 . 5.000 3.255 3.021 3.373 . 0 0 "[ . 1 . 2 ]" 1
769 1 5 DA H8 3 76 THR MG 6.740 . 7.240 3.609 2.428 3.986 . 0 0 "[ . 1 . 2 ]" 1
770 3 77 THR HA 3 77 THR HB 3.000 . 3.500 2.413 2.327 2.585 . 0 0 "[ . 1 . 2 ]" 1
771 3 77 THR HA 3 77 THR MG 3.520 . 4.020 2.435 2.243 2.533 . 0 0 "[ . 1 . 2 ]" 1
772 3 77 THR HA 3 78 LYS H 3.000 . 3.500 2.292 2.191 2.369 . 0 0 "[ . 1 . 2 ]" 1
773 3 77 THR HB 3 78 LYS H 4.000 . 4.500 2.635 2.456 2.978 . 0 0 "[ . 1 . 2 ]" 1
774 3 77 THR HB 3 79 ALA H 4.000 . 4.500 2.839 2.619 3.279 . 0 0 "[ . 1 . 2 ]" 1
775 3 77 THR MG 3 79 ALA H 5.690 . 6.190 4.366 4.189 4.551 . 0 0 "[ . 1 . 2 ]" 1
776 3 77 THR MG 3 79 ALA MB 6.440 . 6.940 4.240 4.026 4.498 . 0 0 "[ . 1 . 2 ]" 1
777 3 77 THR H 3 80 ASN QB 4.410 . 4.910 2.306 2.096 2.631 . 0 0 "[ . 1 . 2 ]" 1
778 1 5 DA H2' 3 77 THR MG 6.740 . 7.240 4.890 4.496 5.273 . 0 0 "[ . 1 . 2 ]" 1
779 1 5 DA H2'' 3 77 THR MG 6.740 . 7.240 5.349 4.793 5.636 . 0 0 "[ . 1 . 2 ]" 1
780 1 5 DA H8 3 77 THR MG 6.740 . 7.240 4.058 3.693 4.581 . 0 0 "[ . 1 . 2 ]" 1
781 3 78 LYS H 3 78 LYS HB2 4.000 . 4.500 2.457 2.385 2.521 . 0 0 "[ . 1 . 2 ]" 1
782 3 78 LYS H 3 78 LYS HB3 4.000 . 4.500 3.593 3.565 3.630 . 0 0 "[ . 1 . 2 ]" 1
783 3 78 LYS HA 3 78 LYS HB3 3.000 . 3.500 2.524 2.489 2.565 . 0 0 "[ . 1 . 2 ]" 1
784 3 78 LYS HB3 3 78 LYS QD 3.330 . 3.830 2.361 2.218 2.499 . 0 0 "[ . 1 . 2 ]" 1
785 3 78 LYS H 3 79 ALA H 4.000 . 4.500 2.776 2.682 3.021 . 0 0 "[ . 1 . 2 ]" 1
786 3 78 LYS HB2 3 79 ALA H 4.000 . 4.500 2.645 2.385 3.166 . 0 0 "[ . 1 . 2 ]" 1
787 3 78 LYS HB3 3 79 ALA H 5.000 . 5.500 3.582 3.241 3.887 . 0 0 "[ . 1 . 2 ]" 1
788 3 78 LYS QG 3 79 ALA H 5.470 . 5.970 4.177 4.072 4.455 . 0 0 "[ . 1 . 2 ]" 1
789 3 78 LYS HA 3 81 MET H 4.000 . 4.500 3.423 3.143 3.618 . 0 0 "[ . 1 . 2 ]" 1
790 3 78 LYS HA 3 81 MET QB 4.410 . 4.910 2.469 2.266 2.642 . 0 0 "[ . 1 . 2 ]" 1
791 3 78 LYS HA 3 81 MET ME 4.620 . 5.120 2.266 2.189 2.406 . 0 0 "[ . 1 . 2 ]" 1
792 3 78 LYS HB3 3 81 MET ME 3.520 . 4.020 2.913 2.563 2.966 . 0 0 "[ . 1 . 2 ]" 1
793 3 78 LYS QD 3 81 MET ME 5.080 . 5.580 3.670 2.567 3.828 . 0 0 "[ . 1 . 2 ]" 1
794 3 78 LYS QG 3 81 MET ME 3.910 . 4.410 2.713 2.223 2.949 . 0 0 "[ . 1 . 2 ]" 1
795 3 78 LYS HA 3 82 LYS H 5.000 . 5.500 4.034 3.841 4.179 . 0 0 "[ . 1 . 2 ]" 1
796 3 79 ALA H 3 80 ASN H 4.000 . 4.500 2.800 2.695 2.897 . 0 0 "[ . 1 . 2 ]" 1
797 3 79 ALA MB 3 80 ASN H 4.620 . 5.120 2.841 2.685 3.088 . 0 0 "[ . 1 . 2 ]" 1
798 3 79 ALA HA 3 82 LYS H 4.000 . 4.500 3.097 2.945 3.238 . 0 0 "[ . 1 . 2 ]" 1
799 3 79 ALA HA 3 82 LYS QG 5.470 . 5.970 2.827 2.333 3.065 . 0 0 "[ . 1 . 2 ]" 1
800 3 79 ALA HA 3 82 LYS QB 3.330 . 3.830 2.316 2.202 2.458 . 0 0 "[ . 1 . 2 ]" 1
801 3 79 ALA MB 3 82 LYS QB 5.080 . 5.580 3.584 3.402 3.775 . 0 0 "[ . 1 . 2 ]" 1
802 2 8 DC H1' 3 79 ALA MB 6.740 . 7.240 4.873 4.693 5.008 . 0 0 "[ . 1 . 2 ]" 1
803 2 8 DC H2' 3 79 ALA MB 5.690 . 6.190 2.471 2.367 2.520 . 0 0 "[ . 1 . 2 ]" 1
804 2 8 DC H2'' 3 79 ALA MB 4.620 . 5.120 3.869 3.777 3.902 . 0 0 "[ . 1 . 2 ]" 1
805 2 8 DC H3' 3 79 ALA MB 4.620 . 5.120 3.504 3.395 3.612 . 0 0 "[ . 1 . 2 ]" 1
806 2 8 DC H4' 3 79 ALA MB 6.740 . 7.240 5.568 5.418 5.623 . 0 0 "[ . 1 . 2 ]" 1
807 2 8 DC H5 3 79 ALA MB 4.620 . 5.120 3.400 2.777 3.863 . 0 0 "[ . 1 . 2 ]" 1
808 2 8 DC Q5' 3 79 ALA MB 7.310 . 7.810 5.478 5.430 5.511 . 0 0 "[ . 1 . 2 ]" 1
809 2 9 DC H5 3 79 ALA HA 5.000 . 5.500 4.173 4.009 4.282 . 0 0 "[ . 1 . 2 ]" 1
810 2 9 DC H6 3 79 ALA HA 6.000 . 6.500 4.780 4.534 5.063 . 0 0 "[ . 1 . 2 ]" 1
811 2 9 DC H2' 3 79 ALA MB 5.690 . 6.190 4.176 3.751 4.536 . 0 0 "[ . 1 . 2 ]" 1
812 2 9 DC H3' 3 79 ALA MB 6.740 . 7.240 5.648 5.602 5.676 . 0 0 "[ . 1 . 2 ]" 1
813 2 9 DC H5 3 79 ALA MB 4.080 . 4.580 1.954 1.920 2.026 . 0 0 "[ . 1 . 2 ]" 1
814 2 9 DC Q5' 3 79 ALA MB 7.310 . 7.810 5.176 4.995 5.433 . 0 0 "[ . 1 . 2 ]" 1
815 3 80 ASN H 3 81 MET H 4.000 . 4.500 2.643 2.436 2.734 . 0 0 "[ . 1 . 2 ]" 1
816 3 80 ASN HA 3 81 MET H 4.000 . 4.500 3.581 3.549 3.592 . 0 0 "[ . 1 . 2 ]" 1
817 3 80 ASN QB 3 81 MET H 4.410 . 4.910 2.560 2.283 2.664 . 0 0 "[ . 1 . 2 ]" 1
818 3 80 ASN H 3 82 LYS H 5.000 . 5.500 4.101 3.788 4.209 . 0 0 "[ . 1 . 2 ]" 1
819 3 80 ASN HA 3 83 LYS H 4.000 . 4.500 3.432 3.288 3.730 . 0 0 "[ . 1 . 2 ]" 1
820 3 80 ASN HA 3 83 LYS QD 5.470 . 5.970 3.796 2.508 4.685 . 0 0 "[ . 1 . 2 ]" 1
821 3 80 ASN HA 3 83 LYS QB 3.330 . 3.830 2.655 2.516 2.842 . 0 0 "[ . 1 . 2 ]" 1
822 1 3 DG H1' 3 80 ASN QB 6.520 . 7.020 5.105 4.828 5.838 . 0 0 "[ . 1 . 2 ]" 1
823 1 3 DG H3' 3 80 ASN QB 5.470 . 5.970 4.512 4.229 4.905 . 0 0 "[ . 1 . 2 ]" 1
824 1 4 DG H8 3 80 ASN QB 6.520 . 7.020 3.866 3.479 4.743 . 0 0 "[ . 1 . 2 ]" 1
825 3 81 MET H 3 81 MET HA 3.000 . 3.500 2.843 2.820 2.871 . 0 0 "[ . 1 . 2 ]" 1
826 3 81 MET H 3 81 MET ME 5.690 . 6.190 4.128 3.902 4.242 . 0 0 "[ . 1 . 2 ]" 1
827 3 81 MET HA 3 81 MET ME 5.690 . 6.190 4.536 4.480 4.577 . 0 0 "[ . 1 . 2 ]" 1
828 3 81 MET H 3 82 LYS H 4.000 . 4.500 2.798 2.663 2.859 . 0 0 "[ . 1 . 2 ]" 1
829 3 81 MET HA 3 82 LYS H 4.000 . 4.500 3.598 3.576 3.607 . 0 0 "[ . 1 . 2 ]" 1
830 3 81 MET QB 3 82 LYS H 4.410 . 4.910 2.568 2.401 2.887 . 0 0 "[ . 1 . 2 ]" 1
831 3 81 MET ME 3 82 LYS H 5.690 . 6.190 3.514 3.311 3.660 . 0 0 "[ . 1 . 2 ]" 1
832 3 81 MET ME 3 82 LYS QG 3.910 . 4.410 2.898 2.731 2.932 . 0 0 "[ . 1 . 2 ]" 1
833 3 81 MET ME 3 82 LYS QB 6.210 . 6.710 4.499 4.386 4.560 . 0 0 "[ . 1 . 2 ]" 1
834 3 81 MET ME 3 82 LYS QD 3.910 . 4.410 2.924 2.913 2.940 . 0 0 "[ . 1 . 2 ]" 1
835 3 81 MET ME 3 82 LYS QE 3.910 . 4.410 2.834 2.412 2.924 . 0 0 "[ . 1 . 2 ]" 1
836 3 82 LYS H 3 82 LYS QG 4.410 . 4.910 2.366 2.292 2.451 . 0 0 "[ . 1 . 2 ]" 1
837 3 82 LYS H 3 82 LYS QB 3.330 . 3.830 2.433 2.363 2.541 . 0 0 "[ . 1 . 2 ]" 1
838 3 82 LYS HA 3 82 LYS QD 3.330 . 3.830 2.236 2.166 2.334 . 0 0 "[ . 1 . 2 ]" 1
839 3 82 LYS QB 3 82 LYS QD 3.110 . 3.610 2.331 2.297 2.359 . 0 0 "[ . 1 . 2 ]" 1
840 3 82 LYS H 3 83 LYS H 4.000 . 4.500 2.855 2.788 2.893 . 0 0 "[ . 1 . 2 ]" 1
841 3 82 LYS HA 3 83 LYS H 5.000 . 5.500 3.614 3.597 3.632 . 0 0 "[ . 1 . 2 ]" 1
842 3 82 LYS QB 3 83 LYS H 3.330 . 3.830 2.492 2.281 2.628 . 0 0 "[ . 1 . 2 ]" 1
843 3 82 LYS HA 3 84 HIS H 5.000 . 5.500 4.591 4.472 4.733 . 0 0 "[ . 1 . 2 ]" 1
844 3 82 LYS HA 3 85 PHE H 4.000 . 4.500 3.413 3.236 3.617 . 0 0 "[ . 1 . 2 ]" 1
845 3 82 LYS HA 3 85 PHE QB 3.330 . 3.830 2.522 2.383 2.655 . 0 0 "[ . 1 . 2 ]" 1
846 3 82 LYS HA 3 86 ASN HB2 5.000 . 5.500 5.048 5.010 5.090 . 0 0 "[ . 1 . 2 ]" 1
847 2 8 DC H3' 3 82 LYS QE 5.470 . 5.970 3.751 3.321 4.722 . 0 0 "[ . 1 . 2 ]" 1
848 3 83 LYS H 3 83 LYS QG 4.410 . 4.910 2.455 2.372 2.591 . 0 0 "[ . 1 . 2 ]" 1
849 3 83 LYS H 3 83 LYS QB 3.330 . 3.830 2.447 2.327 2.538 . 0 0 "[ . 1 . 2 ]" 1
850 3 83 LYS HA 3 83 LYS QG . . 3.830 2.315 2.224 2.465 . 0 0 "[ . 1 . 2 ]" 1
851 3 83 LYS QE 3 83 LYS QG 3.110 . 3.610 2.508 2.422 2.623 . 0 0 "[ . 1 . 2 ]" 1
852 3 83 LYS QB 3 83 LYS QE 3.700 . 4.200 2.428 2.056 2.970 . 0 0 "[ . 1 . 2 ]" 1
853 3 83 LYS H 3 84 HIS H 4.000 . 4.500 2.889 2.807 2.964 . 0 0 "[ . 1 . 2 ]" 1
854 3 83 LYS QB 3 84 HIS H 4.410 . 4.910 2.470 2.352 2.605 . 0 0 "[ . 1 . 2 ]" 1
855 3 83 LYS QB 3 85 PHE H 5.470 . 5.970 4.803 4.727 4.885 . 0 0 "[ . 1 . 2 ]" 1
856 3 83 LYS H 3 86 ASN QD 4.410 . 4.910 3.971 3.959 3.987 . 0 0 "[ . 1 . 2 ]" 1
857 3 83 LYS HA 3 86 ASN H 5.000 . 5.500 3.590 3.460 3.719 . 0 0 "[ . 1 . 2 ]" 1
858 3 83 LYS HA 3 86 ASN HB2 4.000 . 4.500 2.507 2.258 2.623 . 0 0 "[ . 1 . 2 ]" 1
859 3 83 LYS HA 3 86 ASN HB3 4.000 . 4.500 3.994 3.725 4.097 . 0 0 "[ . 1 . 2 ]" 1
860 1 3 DG H8 3 83 LYS QD 6.520 . 7.020 5.508 4.729 5.844 . 0 0 "[ . 1 . 2 ]" 1
861 1 3 DG H8 3 83 LYS QE 5.470 . 5.970 4.600 3.809 4.943 . 0 0 "[ . 1 . 2 ]" 1
862 2 11 DT M7 3 83 LYS HD2 4.620 . 5.120 2.886 2.360 3.490 . 0 0 "[ . 1 . 2 ]" 1
863 2 11 DT M7 3 83 LYS HD3 4.620 . 5.120 3.128 2.323 3.909 . 0 0 "[ . 1 . 2 ]" 1
864 2 11 DT H6 3 83 LYS QE 6.520 . 7.020 5.470 5.163 5.857 . 0 0 "[ . 1 . 2 ]" 1
865 2 11 DT M7 3 83 LYS QE 4.500 . 5.000 2.386 2.035 2.985 . 0 0 "[ . 1 . 2 ]" 1
866 3 84 HIS H 3 84 HIS HB2 4.000 . 4.500 2.773 2.678 2.832 . 0 0 "[ . 1 . 2 ]" 1
867 3 84 HIS H 3 84 HIS HB3 3.000 . 3.500 2.333 2.276 2.406 . 0 0 "[ . 1 . 2 ]" 1
868 3 84 HIS H 3 84 HIS HD2 5.000 . 5.500 4.669 4.604 4.790 . 0 0 "[ . 1 . 2 ]" 1
869 3 84 HIS H 3 85 PHE H 4.000 . 4.500 2.858 2.789 2.943 . 0 0 "[ . 1 . 2 ]" 1
870 3 84 HIS HB2 3 85 PHE H 5.000 . 5.500 3.901 3.841 3.983 . 0 0 "[ . 1 . 2 ]" 1
871 3 84 HIS HD2 3 85 PHE H 5.000 . 5.500 2.908 2.789 3.094 . 0 0 "[ . 1 . 2 ]" 1
872 3 84 HIS HA 3 87 ARG H 4.000 . 4.500 3.659 3.444 3.798 . 0 0 "[ . 1 . 2 ]" 1
873 3 85 PHE H 3 86 ASN H 4.000 . 4.500 2.810 2.763 2.849 . 0 0 "[ . 1 . 2 ]" 1
874 3 85 PHE HA 3 86 ASN H 4.000 . 4.500 3.539 3.515 3.556 . 0 0 "[ . 1 . 2 ]" 1
875 3 85 PHE QB 3 86 ASN H 4.410 . 4.910 2.530 2.451 2.594 . 0 0 "[ . 1 . 2 ]" 1
876 3 85 PHE HA 3 89 HIS HD2 3.000 . 3.500 2.278 2.093 2.583 . 0 0 "[ . 1 . 2 ]" 1
877 3 85 PHE QD 3 90 ASN HB3 5.590 . 6.090 4.302 3.290 4.953 . 0 0 "[ . 1 . 2 ]" 1
878 3 86 ASN H 3 86 ASN HB2 3.000 . 3.500 2.240 2.207 2.287 . 0 0 "[ . 1 . 2 ]" 1
879 3 86 ASN HA 3 86 ASN HB2 3.000 . 3.500 3.014 2.993 3.031 . 0 0 "[ . 1 . 2 ]" 1
880 3 86 ASN H 3 87 ARG H 4.000 . 4.500 2.786 2.681 2.884 . 0 0 "[ . 1 . 2 ]" 1
881 3 86 ASN HB2 3 87 ARG H 4.000 . 4.500 2.474 2.296 2.886 . 0 0 "[ . 1 . 2 ]" 1
882 3 86 ASN HA 3 90 ASN HB2 3.000 . 3.500 2.547 2.240 3.131 . 0 0 "[ . 1 . 2 ]" 1
883 3 86 ASN HA 3 90 ASN HB3 3.000 . 3.500 2.142 2.068 2.290 . 0 0 "[ . 1 . 2 ]" 1
884 3 87 ARG H 3 87 ARG QB . . 3.830 2.198 2.071 2.344 . 0 0 "[ . 1 . 2 ]" 1
885 3 87 ARG HA 3 87 ARG QG 3.330 . 3.830 2.458 2.317 2.588 . 0 0 "[ . 1 . 2 ]" 1
886 3 87 ARG H 3 88 PHE H 3.000 . 3.500 2.886 2.524 3.016 . 0 0 "[ . 1 . 2 ]" 1
887 1 2 DT Q5' 3 87 ARG QD 7.080 . 7.580 4.057 3.506 4.553 . 0 0 "[ . 1 . 2 ]" 1
888 1 2 DT H4' 3 87 ARG QD 6.520 . 7.020 5.215 4.953 5.652 . 0 0 "[ . 1 . 2 ]" 1
889 1 2 DT H3' 3 87 ARG HD2 4.000 . 4.500 3.108 2.526 3.961 . 0 0 "[ . 1 . 2 ]" 1
890 1 2 DT H6 3 87 ARG HD2 6.000 . 6.500 4.397 3.630 5.055 . 0 0 "[ . 1 . 2 ]" 1
891 1 2 DT H3' 3 87 ARG HD3 4.000 . 4.500 3.407 2.583 4.110 . 0 0 "[ . 1 . 2 ]" 1
892 1 2 DT H6 3 87 ARG HD3 6.000 . 6.500 3.800 3.261 4.816 . 0 0 "[ . 1 . 2 ]" 1
893 3 88 PHE H 3 88 PHE HB2 4.000 . 4.500 2.360 2.316 2.422 . 0 0 "[ . 1 . 2 ]" 1
894 3 88 PHE HA 3 88 PHE HB2 3.000 . 3.500 3.024 3.017 3.030 . 0 0 "[ . 1 . 2 ]" 1
895 3 88 PHE HA 3 88 PHE HB3 3.000 . 3.500 2.541 2.499 2.603 . 0 0 "[ . 1 . 2 ]" 1
896 3 88 PHE HA 3 88 PHE QE 5.590 . 6.090 4.662 4.555 4.735 . 0 0 "[ . 1 . 2 ]" 1
897 3 88 PHE H 3 89 HIS H 3.000 . 3.500 2.577 2.361 2.810 . 0 0 "[ . 1 . 2 ]" 1
898 3 88 PHE HA 3 91 ILE QG 5.470 . 5.970 4.434 2.689 4.917 . 0 0 "[ . 1 . 2 ]" 1
899 1 2 DT H3' 3 88 PHE QD 6.140 . 6.640 4.419 4.215 4.720 . 0 0 "[ . 1 . 2 ]" 1
900 1 2 DT H3' 3 88 PHE QE 5.040 . 5.540 2.262 2.118 2.472 . 0 0 "[ . 1 . 2 ]" 1
901 1 2 DT Q5' 3 88 PHE QE 6.120 . 6.620 2.920 2.538 3.400 . 0 0 "[ . 1 . 2 ]" 1
902 1 2 DT H3' 3 88 PHE HZ 3.500 . 4.000 3.508 3.096 3.575 . 0 0 "[ . 1 . 2 ]" 1
903 1 2 DT Q5' 3 88 PHE HZ 5.470 . 5.970 2.301 2.196 2.348 . 0 0 "[ . 1 . 2 ]" 1
904 3 89 HIS HA 3 89 HIS HB3 3.000 . 3.500 2.397 2.334 2.490 . 0 0 "[ . 1 . 2 ]" 1
905 3 89 HIS H 3 90 ASN H 4.000 . 4.500 2.319 2.056 2.629 . 0 0 "[ . 1 . 2 ]" 1
906 3 89 HIS H 3 91 ILE H 4.000 . 4.500 3.978 3.530 4.108 . 0 0 "[ . 1 . 2 ]" 1
907 3 90 ASN H 3 90 ASN HB2 4.000 . 4.500 2.646 2.362 2.914 . 0 0 "[ . 1 . 2 ]" 1
908 3 90 ASN H 3 90 ASN HB3 4.000 . 4.500 2.619 2.092 2.949 . 0 0 "[ . 1 . 2 ]" 1
909 3 90 ASN HA 3 90 ASN HB2 3.000 . 3.500 2.498 2.329 2.632 . 0 0 "[ . 1 . 2 ]" 1
910 3 90 ASN HA 3 90 ASN HB3 3.000 . 3.500 3.005 2.971 3.025 . 0 0 "[ . 1 . 2 ]" 1
911 3 90 ASN HA 3 91 ILE H 4.000 . 4.500 3.390 2.460 3.638 . 0 0 "[ . 1 . 2 ]" 1
912 3 90 ASN QD 3 91 ILE H 4.410 . 4.910 3.824 3.282 3.988 . 0 0 "[ . 1 . 2 ]" 1
913 3 91 ILE H 3 91 ILE HB 4.000 . 4.500 3.214 2.264 3.816 . 0 0 "[ . 1 . 2 ]" 1
914 3 91 ILE H 3 92 LYS H 3.000 . 3.500 2.509 2.089 3.166 . 0 0 "[ . 1 . 2 ]" 1
915 3 91 ILE HA 3 92 LYS H 4.000 . 4.500 3.377 2.678 3.668 . 0 0 "[ . 1 . 2 ]" 1
916 3 92 LYS HA 3 92 LYS QD 3.330 . 3.830 2.415 2.147 3.007 . 0 0 "[ . 1 . 2 ]" 1
917 1 1 DT H1' 1 1 DT H2' 4.140 . 4.640 3.049 3.043 3.054 . 0 0 "[ . 1 . 2 ]" 1
918 1 1 DT H1' 1 1 DT H2'' 3.530 . 4.030 2.410 2.369 2.446 . 0 0 "[ . 1 . 2 ]" 1
919 1 1 DT H1' 1 1 DT H4' 4.710 2.270 5.210 2.627 2.533 3.071 . 0 0 "[ . 1 . 2 ]" 1
920 1 1 DT H2' 1 1 DT H6 3.050 . 3.550 2.499 2.401 2.601 . 0 0 "[ . 1 . 2 ]" 1
921 1 1 DT H2'' 1 1 DT H6 3.970 . 4.470 3.883 3.809 3.974 . 0 0 "[ . 1 . 2 ]" 1
922 1 1 DT H4' 1 1 DT H6 5.290 2.550 5.790 4.581 4.425 4.630 . 0 0 "[ . 1 . 2 ]" 1
923 1 1 DT H6 1 1 DT M7 3.550 . 4.050 2.338 2.311 2.373 . 0 0 "[ . 1 . 2 ]" 1
924 1 1 DT Q5' 1 1 DT H6 5.240 2.300 5.740 4.195 3.555 4.313 . 0 0 "[ . 1 . 2 ]" 1
925 1 1 DT H2' 1 2 DT H6 3.490 . 3.990 3.139 3.050 3.304 . 0 0 "[ . 1 . 2 ]" 1
926 1 1 DT H2'' 1 2 DT H6 4.480 2.160 4.980 2.410 2.295 2.528 . 0 0 "[ . 1 . 2 ]" 1
927 1 1 DT H6 1 2 DT M7 3.520 . 4.020 2.939 2.932 2.945 . 0 0 "[ . 1 . 2 ]" 1
928 1 2 DT H1' 1 2 DT H2' 4.820 2.320 5.320 2.986 2.943 3.017 . 0 0 "[ . 1 . 2 ]" 1
929 1 2 DT H1' 1 2 DT H2'' 3.490 . 3.990 2.286 2.239 2.323 . 0 0 "[ . 1 . 2 ]" 1
930 1 2 DT H1' 1 2 DT H4' 4.770 2.290 5.270 2.498 2.378 2.629 . 0 0 "[ . 1 . 2 ]" 1
931 1 2 DT H1' 1 2 DT H6 3.740 2.240 4.240 3.726 3.706 3.736 . 0 0 "[ . 1 . 2 ]" 1
932 1 2 DT H2' 1 2 DT H3' 3.530 . 4.030 2.213 2.187 2.268 . 0 0 "[ . 1 . 2 ]" 1
933 1 2 DT H2' 1 2 DT H6 3.260 . 3.760 2.503 2.391 2.745 . 0 0 "[ . 1 . 2 ]" 1
934 1 2 DT H3' 1 2 DT H6 3.660 . 4.160 3.492 3.233 3.665 . 0 0 "[ . 1 . 2 ]" 1
935 1 2 DT H6 1 2 DT M7 3.550 . 4.050 2.308 2.271 2.336 . 0 0 "[ . 1 . 2 ]" 1
936 1 2 DT H1' 1 3 DG H8 5.000 3.000 5.500 5.066 5.027 5.095 . 0 0 "[ . 1 . 2 ]" 1
937 1 2 DT H2' 1 3 DG H8 5.000 3.000 5.500 2.916 2.887 2.972 0.113 16 0 "[ . 1 . 2 ]" 1
938 1 2 DT H2'' 1 3 DG H8 5.000 3.000 5.500 2.989 2.948 3.049 0.052 20 0 "[ . 1 . 2 ]" 1
939 1 2 DT H3' 1 3 DG H8 5.000 3.000 5.500 4.385 4.251 4.549 . 0 0 "[ . 1 . 2 ]" 1
940 1 2 DT H1' 2 15 DA H2 5.000 3.000 5.500 3.533 3.034 3.988 . 0 0 "[ . 1 . 2 ]" 1
941 1 3 DG H1' 1 3 DG H2'' 3.510 2.110 4.010 2.415 2.390 2.436 . 0 0 "[ . 1 . 2 ]" 1
942 1 3 DG H1' 1 3 DG H8 5.000 3.000 5.500 3.881 3.861 3.913 . 0 0 "[ . 1 . 2 ]" 1
943 1 3 DG H2' 1 3 DG H3' 3.340 . 3.840 2.471 2.437 2.483 . 0 0 "[ . 1 . 2 ]" 1
944 1 3 DG H2' 1 3 DG H8 3.600 2.160 4.100 2.282 2.226 2.396 . 0 0 "[ . 1 . 2 ]" 1
945 1 3 DG H2'' 1 3 DG H3' 3.670 2.210 4.170 2.748 2.726 2.759 . 0 0 "[ . 1 . 2 ]" 1
946 1 3 DG H2'' 1 3 DG H8 4.810 2.880 5.310 3.390 3.288 3.463 . 0 0 "[ . 1 . 2 ]" 1
947 1 3 DG H3' 1 3 DG H4' 3.750 2.250 4.250 2.695 2.666 2.762 . 0 0 "[ . 1 . 2 ]" 1
948 1 3 DG H3' 1 3 DG H8 5.000 3.000 5.500 4.692 4.576 4.779 . 0 0 "[ . 1 . 2 ]" 1
949 1 3 DG H1' 1 4 DG H8 3.500 2.580 4.000 2.637 2.548 2.813 0.032 19 0 "[ . 1 . 2 ]" 1
950 1 3 DG H2' 1 4 DG H8 4.260 2.560 4.760 4.065 3.880 4.263 . 0 0 "[ . 1 . 2 ]" 1
951 1 4 DG H1' 1 4 DG H2'' 3.490 2.090 3.990 2.389 2.366 2.403 . 0 0 "[ . 1 . 2 ]" 1
952 1 4 DG H1' 1 4 DG H4' 4.760 2.860 5.260 3.240 3.172 3.326 . 0 0 "[ . 1 . 2 ]" 1
953 1 4 DG H1' 1 4 DG H8 4.010 2.970 4.510 3.918 3.907 3.935 . 0 0 "[ . 1 . 2 ]" 1
954 1 4 DG H2' 1 4 DG H3' 3.080 . 3.580 2.382 2.354 2.399 . 0 0 "[ . 1 . 2 ]" 1
955 1 4 DG H3' 1 4 DG H8 5.000 3.000 5.500 4.485 4.326 4.594 . 0 0 "[ . 1 . 2 ]" 1
956 1 4 DG H4' 1 4 DG H8 5.000 3.000 5.500 4.792 4.670 4.841 . 0 0 "[ . 1 . 2 ]" 1
957 1 4 DG Q5' 1 4 DG H8 5.470 3.000 5.970 3.734 3.525 3.880 . 0 0 "[ . 1 . 2 ]" 1
958 1 4 DG H1' 1 5 DA H8 5.000 3.000 5.500 4.006 3.914 4.087 . 0 0 "[ . 1 . 2 ]" 1
959 1 4 DG H2'' 1 5 DA H8 3.280 . 3.780 2.330 2.203 2.398 . 0 0 "[ . 1 . 2 ]" 1
960 1 4 DG H3' 1 5 DA H8 5.000 3.000 5.500 4.738 4.251 4.900 . 0 0 "[ . 1 . 2 ]" 1
961 1 5 DA H1' 1 5 DA H2'' 3.330 . 3.830 2.449 2.438 2.461 . 0 0 "[ . 1 . 2 ]" 1
962 1 5 DA H1' 1 5 DA H8 5.000 3.000 5.500 3.917 3.903 3.931 . 0 0 "[ . 1 . 2 ]" 1
963 1 5 DA H2' 1 5 DA H3' 3.200 . 3.700 2.336 2.294 2.366 . 0 0 "[ . 1 . 2 ]" 1
964 1 5 DA H2'' 1 5 DA H8 3.620 2.170 4.120 3.664 3.639 3.699 . 0 0 "[ . 1 . 2 ]" 1
965 1 5 DA H3' 1 5 DA H8 5.000 3.000 5.500 4.577 4.448 4.680 . 0 0 "[ . 1 . 2 ]" 1
966 1 5 DA H1' 1 6 DT H6 3.920 2.900 4.420 3.588 3.368 3.782 . 0 0 "[ . 1 . 2 ]" 1
967 1 5 DA H2 1 6 DT H1' 5.000 3.000 5.500 4.343 3.839 4.911 . 0 0 "[ . 1 . 2 ]" 1
968 1 5 DA H2' 1 6 DT H6 4.520 2.720 5.020 4.053 3.707 4.425 . 0 0 "[ . 1 . 2 ]" 1
969 1 5 DA H2'' 1 6 DT H6 3.000 . 3.500 2.440 2.318 2.670 . 0 0 "[ . 1 . 2 ]" 1
970 1 5 DA H3' 1 6 DT H6 5.000 3.000 5.500 5.046 4.990 5.088 . 0 0 "[ . 1 . 2 ]" 1
971 1 5 DA H8 1 6 DT M7 5.690 3.000 6.190 2.903 2.672 3.082 0.328 19 0 "[ . 1 . 2 ]" 1
972 1 5 DA H2 2 12 DC H1' 5.000 3.000 5.500 4.008 3.578 4.435 . 0 0 "[ . 1 . 2 ]" 1
973 1 6 DT H1' 1 6 DT H2' 4.090 2.450 4.590 3.058 3.031 3.073 . 0 0 "[ . 1 . 2 ]" 1
974 1 6 DT H1' 1 6 DT H2'' 3.080 . 3.580 2.424 2.303 2.480 . 0 0 "[ . 1 . 2 ]" 1
975 1 6 DT H1' 1 6 DT H4' 3.830 2.290 4.330 2.891 2.720 3.073 . 0 0 "[ . 1 . 2 ]" 1
976 1 6 DT H1' 1 6 DT H6 5.000 3.000 5.500 3.719 3.701 3.740 . 0 0 "[ . 1 . 2 ]" 1
977 1 6 DT H2' 1 6 DT H3' 3.200 . 3.700 2.276 2.240 2.304 . 0 0 "[ . 1 . 2 ]" 1
978 1 6 DT H2' 1 6 DT H6 2.850 . 3.350 2.172 2.096 2.283 . 0 0 "[ . 1 . 2 ]" 1
979 1 6 DT H2'' 1 6 DT H3' 3.800 2.280 4.300 2.744 2.695 2.839 . 0 0 "[ . 1 . 2 ]" 1
980 1 6 DT H2'' 1 6 DT H6 3.640 2.180 4.140 3.553 3.427 3.746 . 0 0 "[ . 1 . 2 ]" 1
981 1 6 DT H3' 1 6 DT H6 3.980 2.380 4.480 4.037 3.648 4.136 . 0 0 "[ . 1 . 2 ]" 1
982 1 6 DT H4' 1 6 DT H6 5.000 3.000 5.500 4.633 4.513 4.728 . 0 0 "[ . 1 . 2 ]" 1
983 1 6 DT H6 1 6 DT M7 3.430 2.160 3.930 2.347 2.281 2.389 . 0 0 "[ . 1 . 2 ]" 1
984 1 6 DT H1' 1 7 DG H8 5.000 3.000 5.500 3.245 2.941 3.994 0.059 16 0 "[ . 1 . 2 ]" 1
985 1 7 DG H1' 1 7 DG H2'' 3.280 . 3.780 2.407 2.383 2.469 . 0 0 "[ . 1 . 2 ]" 1
986 1 7 DG H1' 1 7 DG H4' 4.090 2.450 4.590 3.133 2.591 3.343 . 0 0 "[ . 1 . 2 ]" 1
987 1 7 DG H1' 1 7 DG H8 5.000 3.000 5.500 3.885 3.849 3.916 . 0 0 "[ . 1 . 2 ]" 1
988 1 7 DG H2' 1 7 DG H8 3.220 . 3.720 2.417 2.237 2.665 . 0 0 "[ . 1 . 2 ]" 1
989 1 7 DG H2'' 1 7 DG H8 4.340 2.600 4.840 3.836 3.657 4.034 . 0 0 "[ . 1 . 2 ]" 1
990 1 7 DG H4' 1 7 DG H8 5.000 3.000 5.500 4.722 4.488 4.984 . 0 0 "[ . 1 . 2 ]" 1
991 1 7 DG H1' 1 8 DG H8 5.000 3.000 5.500 3.619 3.067 4.082 . 0 0 "[ . 1 . 2 ]" 1
992 1 7 DG H2' 1 8 DG H8 4.140 2.480 4.640 3.239 2.945 3.691 . 0 0 "[ . 1 . 2 ]" 1
993 1 7 DG H2'' 1 8 DG H8 3.350 2.010 3.850 2.193 2.113 2.344 . 0 0 "[ . 1 . 2 ]" 1
994 1 7 DG H3' 1 8 DG H8 4.670 2.810 5.170 4.760 4.706 4.817 . 0 0 "[ . 1 . 2 ]" 1
995 1 8 DG H1' 1 8 DG H2'' 3.170 . 3.670 2.455 2.414 2.492 . 0 0 "[ . 1 . 2 ]" 1
996 1 8 DG H1' 1 8 DG H4' 3.310 . 3.810 2.931 2.669 3.212 . 0 0 "[ . 1 . 2 ]" 1
997 1 8 DG H2'' 1 8 DG H8 3.600 2.160 4.100 3.691 3.619 3.749 . 0 0 "[ . 1 . 2 ]" 1
998 1 8 DG H3' 1 8 DG H4' 3.330 . 3.830 2.860 2.777 2.922 . 0 0 "[ . 1 . 2 ]" 1
999 1 8 DG H3' 1 8 DG Q5' 3.980 2.160 4.480 2.533 2.412 2.614 . 0 0 "[ . 1 . 2 ]" 1
1000 1 8 DG H2'' 1 9 DG H8 4.020 2.420 4.520 2.519 2.377 2.914 0.043 12 0 "[ . 1 . 2 ]" 1
1001 1 9 DG H1' 1 9 DG H2' 4.000 2.400 4.500 3.038 2.996 3.064 . 0 0 "[ . 1 . 2 ]" 1
1002 1 9 DG H1' 1 9 DG H2'' 3.420 2.060 3.920 2.455 2.387 2.499 . 0 0 "[ . 1 . 2 ]" 1
1003 1 9 DG H1' 1 9 DG H4' 3.640 2.180 4.140 3.014 2.808 3.299 . 0 0 "[ . 1 . 2 ]" 1
1004 1 9 DG H1' 1 9 DG H8 5.000 3.000 5.500 3.924 3.912 3.954 . 0 0 "[ . 1 . 2 ]" 1
1005 1 9 DG H2' 1 9 DG H3' 3.000 . 3.500 2.409 2.366 2.452 . 0 0 "[ . 1 . 2 ]" 1
1006 1 9 DG H2' 1 9 DG H8 3.490 2.090 3.990 2.489 2.304 2.613 . 0 0 "[ . 1 . 2 ]" 1
1007 1 9 DG H2'' 1 9 DG H8 4.070 2.430 4.570 3.731 3.443 3.909 . 0 0 "[ . 1 . 2 ]" 1
1008 1 9 DG H3' 1 9 DG H4' 3.740 2.240 4.240 2.827 2.771 2.900 . 0 0 "[ . 1 . 2 ]" 1
1009 1 9 DG H1' 1 10 DA H8 3.460 2.560 3.960 3.502 3.249 3.575 . 0 0 "[ . 1 . 2 ]" 1
1010 1 9 DG H2'' 1 10 DA H8 5.000 3.000 5.500 2.854 2.789 2.900 0.211 16 0 "[ . 1 . 2 ]" 1
1011 1 10 DA H1' 1 10 DA H2 5.000 3.000 5.500 4.587 4.522 4.702 . 0 0 "[ . 1 . 2 ]" 1
1012 1 10 DA H1' 1 10 DA H2' 3.640 2.180 4.140 3.052 3.041 3.061 . 0 0 "[ . 1 . 2 ]" 1
1013 1 10 DA H1' 1 10 DA H2'' 3.080 . 3.580 2.420 2.373 2.453 . 0 0 "[ . 1 . 2 ]" 1
1014 1 10 DA H1' 1 10 DA H8 5.000 3.000 5.500 3.878 3.832 3.942 . 0 0 "[ . 1 . 2 ]" 1
1015 1 10 DA H2'' 1 10 DA H3' 3.190 . 3.690 2.776 2.729 2.868 . 0 0 "[ . 1 . 2 ]" 1
1016 1 10 DA H2'' 1 10 DA H8 3.900 2.340 4.400 3.880 3.734 3.963 . 0 0 "[ . 1 . 2 ]" 1
1017 1 10 DA H3' 1 10 DA H8 5.000 3.000 5.500 4.317 3.971 4.548 . 0 0 "[ . 1 . 2 ]" 1
1018 1 10 DA H3' 1 10 DA Q5' 3.810 2.060 4.310 2.525 2.416 2.720 . 0 0 "[ . 1 . 2 ]" 1
1019 1 10 DA Q5' 1 10 DA H8 5.470 3.000 5.970 4.064 3.732 4.400 . 0 0 "[ . 1 . 2 ]" 1
1020 1 10 DA H1' 1 11 DG H8 5.000 3.000 5.500 4.056 3.503 4.817 . 0 0 "[ . 1 . 2 ]" 1
1021 1 10 DA H2' 1 11 DG H8 5.000 3.000 5.500 3.241 3.023 3.945 . 0 0 "[ . 1 . 2 ]" 1
1022 1 10 DA H2'' 1 11 DG H8 3.940 2.370 4.440 2.416 2.317 2.676 0.053 1 0 "[ . 1 . 2 ]" 1
1023 1 10 DA H3' 1 11 DG H8 5.000 3.000 5.500 4.890 4.700 5.012 . 0 0 "[ . 1 . 2 ]" 1
1024 1 10 DA H2 2 7 DC H1' 3.300 2.440 3.800 3.171 2.847 3.381 . 0 0 "[ . 1 . 2 ]" 1
1025 1 11 DG H1' 1 11 DG H2' 4.150 2.490 4.650 3.048 3.007 3.058 . 0 0 "[ . 1 . 2 ]" 1
1026 1 11 DG H1' 1 11 DG H2'' 3.230 . 3.730 2.446 2.281 2.467 . 0 0 "[ . 1 . 2 ]" 1
1027 1 11 DG H1' 1 11 DG H4' 3.980 2.380 4.480 2.735 2.416 3.159 . 0 0 "[ . 1 . 2 ]" 1
1028 1 11 DG H1' 1 11 DG H8 5.000 3.000 5.500 3.927 3.840 3.943 . 0 0 "[ . 1 . 2 ]" 1
1029 1 11 DG H2' 1 11 DG H8 3.530 2.130 4.030 2.596 2.360 3.368 . 0 0 "[ . 1 . 2 ]" 1
1030 1 11 DG H2'' 1 11 DG H8 5.000 3.000 5.500 3.824 3.627 4.583 . 0 0 "[ . 1 . 2 ]" 1
1031 1 11 DG H3' 1 11 DG H8 5.000 3.000 5.500 4.696 4.311 4.820 . 0 0 "[ . 1 . 2 ]" 1
1032 1 11 DG H1' 1 12 DA H8 5.000 3.000 5.500 3.471 3.167 4.529 . 0 0 "[ . 1 . 2 ]" 1
1033 1 11 DG H2' 1 12 DA H8 5.000 3.000 5.500 4.061 2.977 4.372 0.023 6 0 "[ . 1 . 2 ]" 1
1034 1 11 DG H2'' 1 12 DA H8 3.270 . 3.770 2.379 2.220 2.597 . 0 0 "[ . 1 . 2 ]" 1
1035 1 12 DA H1' 1 12 DA H2'' 3.030 . 3.530 2.397 2.382 2.418 . 0 0 "[ . 1 . 2 ]" 1
1036 1 12 DA H1' 1 12 DA H8 5.000 3.000 5.500 3.918 3.912 3.925 . 0 0 "[ . 1 . 2 ]" 1
1037 1 12 DA H2' 1 12 DA H8 3.420 2.060 3.920 2.433 2.384 2.516 . 0 0 "[ . 1 . 2 ]" 1
1038 1 12 DA H3' 1 12 DA H8 5.000 3.000 5.500 4.416 4.360 4.474 . 0 0 "[ . 1 . 2 ]" 1
1039 1 12 DA H1' 1 13 DC H6 5.000 3.000 5.500 3.644 3.352 3.911 . 0 0 "[ . 1 . 2 ]" 1
1040 1 12 DA H2 1 13 DC H1' 5.000 3.000 5.500 3.555 3.043 3.918 . 0 0 "[ . 1 . 2 ]" 1
1041 1 12 DA H2' 1 13 DC H6 3.640 2.180 4.140 3.343 3.053 3.654 . 0 0 "[ . 1 . 2 ]" 1
1042 1 12 DA H2'' 1 13 DC H6 3.100 . 3.600 2.262 2.186 2.332 . 0 0 "[ . 1 . 2 ]" 1
1043 1 12 DA H3' 1 13 DC H6 5.000 3.000 5.500 4.884 4.741 5.041 . 0 0 "[ . 1 . 2 ]" 1
1044 1 12 DA H8 1 13 DC H5 5.000 3.000 5.500 3.673 3.458 3.861 . 0 0 "[ . 1 . 2 ]" 1
1045 1 12 DA H2 2 5 DC H1' 5.000 3.000 5.500 3.118 2.960 3.700 0.040 1 0 "[ . 1 . 2 ]" 1
1046 1 13 DC H1' 1 13 DC H2'' 2.940 . 3.440 2.404 2.317 2.467 . 0 0 "[ . 1 . 2 ]" 1
1047 1 13 DC H1' 1 13 DC H4' 3.440 2.060 3.940 2.600 2.388 2.882 . 0 0 "[ . 1 . 2 ]" 1
1048 1 13 DC H1' 1 13 DC H6 3.970 2.930 4.470 3.731 3.708 3.754 . 0 0 "[ . 1 . 2 ]" 1
1049 1 13 DC H2' 1 13 DC H6 2.890 . 3.390 2.424 2.249 2.805 . 0 0 "[ . 1 . 2 ]" 1
1050 1 13 DC H2'' 1 13 DC H6 4.280 2.580 4.780 3.805 3.597 4.131 . 0 0 "[ . 1 . 2 ]" 1
1051 1 13 DC H3' 1 13 DC H6 4.470 2.670 4.970 4.112 3.950 4.372 . 0 0 "[ . 1 . 2 ]" 1
1052 1 13 DC H4' 1 13 DC H6 5.000 3.000 5.500 4.625 4.580 4.753 . 0 0 "[ . 1 . 2 ]" 1
1053 1 13 DC H5 1 13 DC H6 2.730 2.010 3.230 2.416 2.411 2.419 . 0 0 "[ . 1 . 2 ]" 1
1054 1 13 DC H1' 1 14 DC H6 5.000 3.000 5.500 3.987 3.349 4.211 . 0 0 "[ . 1 . 2 ]" 1
1055 1 13 DC H2'' 1 14 DC H6 3.580 2.140 4.080 2.253 2.204 2.308 . 0 0 "[ . 1 . 2 ]" 1
1056 1 13 DC H6 1 14 DC H5 5.000 3.000 5.500 3.621 3.499 3.772 . 0 0 "[ . 1 . 2 ]" 1
1057 1 14 DC H1' 1 14 DC H2' 3.620 2.170 4.120 3.044 3.032 3.056 . 0 0 "[ . 1 . 2 ]" 1
1058 1 14 DC H1' 1 14 DC H4' 3.390 2.030 3.890 2.498 2.383 3.084 . 0 0 "[ . 1 . 2 ]" 1
1059 1 14 DC H1' 1 14 DC H6 5.000 3.000 5.500 3.662 3.650 3.691 . 0 0 "[ . 1 . 2 ]" 1
1060 1 14 DC H2'' 1 14 DC H3' 3.560 2.130 4.060 2.881 2.739 2.917 . 0 0 "[ . 1 . 2 ]" 1
1061 1 14 DC H2'' 1 14 DC H6 3.910 2.350 4.410 3.903 3.796 3.947 . 0 0 "[ . 1 . 2 ]" 1
1062 1 14 DC H3' 1 14 DC H4' 3.470 2.070 3.970 2.984 2.846 3.006 . 0 0 "[ . 1 . 2 ]" 1
1063 1 14 DC H4' 1 14 DC H6 4.260 2.560 4.760 4.410 4.342 4.428 . 0 0 "[ . 1 . 2 ]" 1
1064 1 14 DC H5 1 14 DC H6 2.680 . 3.180 2.450 2.437 2.457 . 0 0 "[ . 1 . 2 ]" 1
1065 1 14 DC H1' 1 15 DG H8 5.000 3.000 5.500 4.664 4.570 4.887 . 0 0 "[ . 1 . 2 ]" 1
1066 1 14 DC H2' 1 15 DG H8 5.000 3.000 5.500 2.988 2.940 3.217 0.060 9 0 "[ . 1 . 2 ]" 1
1067 1 14 DC H2'' 1 15 DG H8 5.000 3.000 5.500 2.940 2.886 2.962 0.114 2 0 "[ . 1 . 2 ]" 1
1068 1 14 DC H3' 1 15 DG H8 5.000 3.000 5.500 4.933 4.705 5.047 . 0 0 "[ . 1 . 2 ]" 1
1069 1 15 DG H1' 1 15 DG H2' 3.520 . 4.020 3.051 3.044 3.062 . 0 0 "[ . 1 . 2 ]" 1
1070 1 15 DG H1' 1 15 DG H2'' 3.040 . 3.540 2.424 2.408 2.433 . 0 0 "[ . 1 . 2 ]" 1
1071 1 15 DG H1' 1 15 DG H4' 4.770 2.290 5.270 2.601 2.474 2.843 . 0 0 "[ . 1 . 2 ]" 1
1072 1 15 DG H1' 1 15 DG H8 5.000 3.000 5.500 3.915 3.899 3.920 . 0 0 "[ . 1 . 2 ]" 1
1073 1 15 DG H2'' 1 15 DG H8 3.780 . 4.280 3.751 3.597 3.791 . 0 0 "[ . 1 . 2 ]" 1
1074 1 15 DG H3' 1 15 DG H8 5.000 3.000 5.500 4.377 4.296 4.422 . 0 0 "[ . 1 . 2 ]" 1
1075 1 15 DG H4' 1 15 DG H8 5.000 3.000 5.500 5.042 5.028 5.065 . 0 0 "[ . 1 . 2 ]" 1
1076 2 1 DC H1' 2 1 DC H2' 4.340 2.100 4.840 3.036 3.016 3.049 . 0 0 "[ . 1 . 2 ]" 1
1077 2 1 DC H1' 2 1 DC H4' 3.620 . 4.120 2.493 2.376 2.787 . 0 0 "[ . 1 . 2 ]" 1
1078 2 1 DC H1' 2 1 DC H6 3.990 2.390 4.490 3.733 3.715 3.761 . 0 0 "[ . 1 . 2 ]" 1
1079 2 1 DC H2' 2 1 DC H6 3.720 . 4.220 2.454 2.269 2.631 . 0 0 "[ . 1 . 2 ]" 1
1080 2 1 DC H2'' 2 1 DC H6 3.990 . 4.490 3.876 3.704 4.003 . 0 0 "[ . 1 . 2 ]" 1
1081 2 1 DC H3' 2 1 DC H6 5.310 2.550 5.810 3.857 3.522 4.041 . 0 0 "[ . 1 . 2 ]" 1
1082 2 1 DC H3' 2 1 DC Q5' 4.590 2.010 5.090 2.575 2.394 2.774 . 0 0 "[ . 1 . 2 ]" 1
1083 2 1 DC H5 2 1 DC H6 2.920 . 3.420 2.411 2.405 2.417 . 0 0 "[ . 1 . 2 ]" 1
1084 2 1 DC H1' 2 2 DG H8 5.000 3.000 5.500 4.293 3.942 4.753 . 0 0 "[ . 1 . 2 ]" 1
1085 2 1 DC H2' 2 2 DG H8 5.000 3.000 5.500 2.986 2.901 3.129 0.099 14 0 "[ . 1 . 2 ]" 1
1086 2 1 DC H3' 2 2 DG H8 5.000 3.000 5.500 4.802 4.333 5.034 . 0 0 "[ . 1 . 2 ]" 1
1087 2 2 DG H1' 2 2 DG H8 5.000 3.000 5.500 3.898 3.878 3.918 . 0 0 "[ . 1 . 2 ]" 1
1088 2 2 DG H2'' 2 2 DG H3' 3.130 . 3.630 2.763 2.704 2.936 . 0 0 "[ . 1 . 2 ]" 1
1089 2 2 DG H3' 2 2 DG H4' 4.150 2.490 4.650 2.874 2.717 3.011 . 0 0 "[ . 1 . 2 ]" 1
1090 2 2 DG H3' 2 2 DG H8 5.000 3.000 5.500 4.592 4.336 4.682 . 0 0 "[ . 1 . 2 ]" 1
1091 2 2 DG H4' 2 2 DG H8 5.000 3.000 5.500 5.054 4.925 5.118 . 0 0 "[ . 1 . 2 ]" 1
1092 2 2 DG H1' 2 3 DG H8 3.760 2.780 4.260 3.128 2.763 3.861 0.017 5 0 "[ . 1 . 2 ]" 1
1093 2 2 DG H3' 2 3 DG H8 5.000 3.000 5.500 4.640 4.376 5.003 . 0 0 "[ . 1 . 2 ]" 1
1094 2 3 DG H1' 2 3 DG H2' 3.590 2.150 4.090 3.049 3.041 3.061 . 0 0 "[ . 1 . 2 ]" 1
1095 2 3 DG H1' 2 3 DG H2'' 3.000 . 3.500 2.405 2.380 2.443 . 0 0 "[ . 1 . 2 ]" 1
1096 2 3 DG H1' 2 3 DG H4' 4.130 2.480 4.630 3.212 2.889 3.332 . 0 0 "[ . 1 . 2 ]" 1
1097 2 3 DG H1' 2 3 DG H8 5.000 3.000 5.500 3.908 3.895 3.942 . 0 0 "[ . 1 . 2 ]" 1
1098 2 3 DG H2' 2 3 DG H8 3.270 . 3.770 2.450 2.349 2.545 . 0 0 "[ . 1 . 2 ]" 1
1099 2 3 DG H2'' 2 3 DG H8 4.720 2.820 5.220 3.855 3.720 3.940 . 0 0 "[ . 1 . 2 ]" 1
1100 2 3 DG H3' 2 3 DG H8 5.000 3.000 5.500 4.420 4.320 4.519 . 0 0 "[ . 1 . 2 ]" 1
1101 2 3 DG H2' 2 4 DT H6 4.070 2.430 4.570 3.539 3.024 3.900 . 0 0 "[ . 1 . 2 ]" 1
1102 2 3 DG H2'' 2 4 DT H6 2.950 . 3.450 2.245 2.148 2.346 . 0 0 "[ . 1 . 2 ]" 1
1103 2 3 DG H8 2 4 DT M7 5.690 3.000 6.190 2.891 2.673 3.155 0.327 16 0 "[ . 1 . 2 ]" 1
1104 2 4 DT H1' 2 4 DT H2'' 3.130 . 3.630 2.441 2.421 2.475 . 0 0 "[ . 1 . 2 ]" 1
1105 2 4 DT H1' 2 4 DT H4' 3.700 2.220 4.200 2.768 2.509 3.076 . 0 0 "[ . 1 . 2 ]" 1
1106 2 4 DT H2' 2 4 DT H6 2.670 . 3.170 2.210 2.163 2.254 . 0 0 "[ . 1 . 2 ]" 1
1107 2 4 DT H2'' 2 4 DT H3' 3.390 2.030 3.890 2.769 2.725 2.811 . 0 0 "[ . 1 . 2 ]" 1
1108 2 4 DT H2'' 2 4 DT H6 3.580 2.140 4.080 3.599 3.534 3.649 . 0 0 "[ . 1 . 2 ]" 1
1109 2 4 DT H4' 2 4 DT H6 4.480 2.680 4.980 4.548 4.509 4.575 . 0 0 "[ . 1 . 2 ]" 1
1110 2 4 DT H6 2 4 DT M7 3.280 2.070 3.780 2.325 2.272 2.374 . 0 0 "[ . 1 . 2 ]" 1
1111 2 4 DT H1' 2 5 DC H6 5.000 3.000 5.500 4.023 3.661 4.193 . 0 0 "[ . 1 . 2 ]" 1
1112 2 4 DT H2'' 2 5 DC H6 3.260 . 3.760 2.280 2.147 2.417 . 0 0 "[ . 1 . 2 ]" 1
1113 2 4 DT H3' 2 5 DC H6 5.000 3.000 5.500 4.774 4.667 4.870 . 0 0 "[ . 1 . 2 ]" 1
1114 2 4 DT H6 2 5 DC H5 5.000 3.000 5.500 3.726 3.515 3.938 . 0 0 "[ . 1 . 2 ]" 1
1115 2 5 DC H1' 2 5 DC H2'' 3.000 . 3.500 2.338 2.254 2.419 . 0 0 "[ . 1 . 2 ]" 1
1116 2 5 DC H1' 2 5 DC H4' 3.400 2.040 3.900 2.444 2.348 2.800 . 0 0 "[ . 1 . 2 ]" 1
1117 2 5 DC H1' 2 5 DC H6 5.000 3.000 5.500 3.725 3.701 3.755 . 0 0 "[ . 1 . 2 ]" 1
1118 2 5 DC H2'' 2 5 DC H6 4.520 2.720 5.020 4.044 3.643 4.284 . 0 0 "[ . 1 . 2 ]" 1
1119 2 5 DC H3' 2 5 DC H6 5.000 3.000 5.500 3.940 3.562 4.296 . 0 0 "[ . 1 . 2 ]" 1
1120 2 5 DC H5 2 5 DC H6 2.900 2.140 3.400 2.413 2.402 2.420 . 0 0 "[ . 1 . 2 ]" 1
1121 2 5 DC H1' 2 6 DT H6 5.000 3.000 5.500 4.105 3.728 4.404 . 0 0 "[ . 1 . 2 ]" 1
1122 2 5 DC H2' 2 6 DT H6 3.650 2.190 4.150 3.063 2.468 3.691 . 0 0 "[ . 1 . 2 ]" 1
1123 2 5 DC H2'' 2 6 DT H6 3.380 2.020 3.880 2.302 2.222 2.454 . 0 0 "[ . 1 . 2 ]" 1
1124 2 6 DT H1' 2 6 DT H4' 3.310 . 3.810 2.835 2.550 3.145 . 0 0 "[ . 1 . 2 ]" 1
1125 2 6 DT H1' 2 6 DT H6 5.000 3.000 5.500 3.729 3.720 3.739 . 0 0 "[ . 1 . 2 ]" 1
1126 2 6 DT H2' 2 6 DT H3' 2.760 . 3.260 2.303 2.247 2.333 . 0 0 "[ . 1 . 2 ]" 1
1127 2 6 DT H2' 2 6 DT H6 2.740 . 3.240 2.268 2.115 2.347 . 0 0 "[ . 1 . 2 ]" 1
1128 2 6 DT H2'' 2 6 DT H3' 3.440 2.060 3.940 2.768 2.732 2.834 . 0 0 "[ . 1 . 2 ]" 1
1129 2 6 DT H2'' 2 6 DT H6 3.920 2.360 4.420 3.659 3.503 3.747 . 0 0 "[ . 1 . 2 ]" 1
1130 2 6 DT H3' 2 6 DT H6 4.150 2.490 4.650 4.119 3.936 4.196 . 0 0 "[ . 1 . 2 ]" 1
1131 2 6 DT H4' 2 6 DT H6 5.000 3.000 5.500 4.601 4.539 4.643 . 0 0 "[ . 1 . 2 ]" 1
1132 2 6 DT H6 2 6 DT M7 3.270 2.060 3.770 2.301 2.226 2.392 . 0 0 "[ . 1 . 2 ]" 1
1133 2 6 DT H1' 2 7 DC H6 3.880 2.860 4.380 3.815 3.593 3.921 . 0 0 "[ . 1 . 2 ]" 1
1134 2 6 DT H2' 2 7 DC H6 3.560 2.130 4.060 3.258 2.979 3.508 . 0 0 "[ . 1 . 2 ]" 1
1135 2 6 DT H2'' 2 7 DC H6 3.150 . 3.650 2.383 2.221 2.555 . 0 0 "[ . 1 . 2 ]" 1
1136 2 6 DT H3' 2 7 DC H6 5.000 3.000 5.500 4.996 4.811 5.077 . 0 0 "[ . 1 . 2 ]" 1
1137 2 7 DC H1' 2 7 DC H4' 3.200 . 3.700 2.432 2.312 2.620 . 0 0 "[ . 1 . 2 ]" 1
1138 2 7 DC H1' 2 7 DC H6 3.750 2.770 4.250 3.702 3.655 3.718 . 0 0 "[ . 1 . 2 ]" 1
1139 2 7 DC H2' 2 7 DC H6 3.250 . 3.750 2.614 2.267 3.004 . 0 0 "[ . 1 . 2 ]" 1
1140 2 7 DC H3' 2 7 DC H6 3.840 2.300 4.340 3.817 3.599 3.944 . 0 0 "[ . 1 . 2 ]" 1
1141 2 7 DC H5 2 7 DC H6 2.880 2.120 3.380 2.425 2.414 2.483 . 0 0 "[ . 1 . 2 ]" 1
1142 2 7 DC H1' 2 8 DC H6 5.000 3.000 5.500 4.375 4.068 4.902 . 0 0 "[ . 1 . 2 ]" 1
1143 2 7 DC H2' 2 8 DC H6 5.000 3.000 5.500 2.977 2.912 3.187 0.088 7 0 "[ . 1 . 2 ]" 1
1144 2 7 DC H2'' 2 8 DC H6 3.240 . 3.740 2.686 2.389 3.285 . 0 0 "[ . 1 . 2 ]" 1
1145 2 7 DC H6 2 8 DC H5 5.000 3.000 5.500 4.336 3.812 4.873 . 0 0 "[ . 1 . 2 ]" 1
1146 2 8 DC H1' 2 8 DC H2' 3.840 2.300 4.340 2.993 2.979 3.020 . 0 0 "[ . 1 . 2 ]" 1
1147 2 8 DC H1' 2 8 DC H2'' 2.910 . 3.410 2.239 2.227 2.271 . 0 0 "[ . 1 . 2 ]" 1
1148 2 8 DC H1' 2 8 DC H4' 3.760 2.260 4.260 2.517 2.377 2.660 . 0 0 "[ . 1 . 2 ]" 1
1149 2 8 DC H1' 2 8 DC H6 5.000 3.000 5.500 3.683 3.661 3.703 . 0 0 "[ . 1 . 2 ]" 1
1150 2 8 DC H2' 2 8 DC H6 2.830 . 3.330 2.849 2.621 2.909 . 0 0 "[ . 1 . 2 ]" 1
1151 2 8 DC H2'' 2 8 DC H6 4.380 2.630 4.880 4.154 3.982 4.204 . 0 0 "[ . 1 . 2 ]" 1
1152 2 8 DC H4' 2 8 DC H6 5.000 3.000 5.500 4.459 4.387 4.580 . 0 0 "[ . 1 . 2 ]" 1
1153 2 8 DC H5 2 8 DC H6 2.710 2.010 3.210 2.424 2.416 2.440 . 0 0 "[ . 1 . 2 ]" 1
1154 2 8 DC H1' 2 9 DC H6 5.000 3.000 5.500 4.074 3.982 4.230 . 0 0 "[ . 1 . 2 ]" 1
1155 2 8 DC H2' 2 9 DC H6 3.740 2.240 4.240 2.380 2.311 2.482 . 0 0 "[ . 1 . 2 ]" 1
1156 2 8 DC H3' 2 9 DC H6 5.000 3.000 5.500 4.249 4.186 4.325 . 0 0 "[ . 1 . 2 ]" 1
1157 2 9 DC H1' 2 9 DC H2'' 3.030 . 3.530 2.386 2.342 2.435 . 0 0 "[ . 1 . 2 ]" 1
1158 2 9 DC H1' 2 9 DC H4' 3.980 2.380 4.480 3.081 2.857 3.200 . 0 0 "[ . 1 . 2 ]" 1
1159 2 9 DC H1' 2 9 DC H6 3.920 2.900 4.420 3.686 3.668 3.713 . 0 0 "[ . 1 . 2 ]" 1
1160 2 9 DC H2' 2 9 DC H6 2.700 . 3.200 2.462 2.351 2.557 . 0 0 "[ . 1 . 2 ]" 1
1161 2 9 DC H2'' 2 9 DC H3' 3.260 . 3.760 2.767 2.713 2.846 . 0 0 "[ . 1 . 2 ]" 1
1162 2 9 DC H5 2 9 DC H6 2.790 2.070 3.290 2.409 2.396 2.421 . 0 0 "[ . 1 . 2 ]" 1
1163 2 9 DC H1' 2 10 DA H8 5.000 3.000 5.500 4.283 3.518 4.613 . 0 0 "[ . 1 . 2 ]" 1
1164 2 9 DC H2' 2 10 DA H8 5.000 3.000 5.500 3.047 2.941 3.858 0.059 8 0 "[ . 1 . 2 ]" 1
1165 2 9 DC H2'' 2 10 DA H8 3.640 2.180 4.140 2.268 2.162 2.398 0.018 9 0 "[ . 1 . 2 ]" 1
1166 2 9 DC H3' 2 10 DA H8 5.000 3.000 5.500 4.377 4.159 4.638 . 0 0 "[ . 1 . 2 ]" 1
1167 2 10 DA H1' 2 10 DA H2 5.000 3.000 5.500 4.580 4.510 4.617 . 0 0 "[ . 1 . 2 ]" 1
1168 2 10 DA H1' 2 10 DA H2' 3.830 2.290 4.330 3.045 3.024 3.050 . 0 0 "[ . 1 . 2 ]" 1
1169 2 10 DA H1' 2 10 DA H2'' 2.940 . 3.440 2.404 2.336 2.424 . 0 0 "[ . 1 . 2 ]" 1
1170 2 10 DA H1' 2 10 DA H8 5.000 3.000 5.500 3.911 3.885 3.919 . 0 0 "[ . 1 . 2 ]" 1
1171 2 10 DA H2' 2 10 DA H8 3.070 . 3.570 2.413 2.287 2.661 . 0 0 "[ . 1 . 2 ]" 1
1172 2 10 DA H2'' 2 10 DA H8 4.130 2.480 4.630 3.823 3.675 4.075 . 0 0 "[ . 1 . 2 ]" 1
1173 2 10 DA H3' 2 10 DA H8 5.000 3.000 5.500 4.293 4.124 4.394 . 0 0 "[ . 1 . 2 ]" 1
1174 2 10 DA H4' 2 10 DA H8 5.000 3.000 5.500 4.918 4.742 5.001 . 0 0 "[ . 1 . 2 ]" 1
1175 2 10 DA H1' 2 11 DT H6 3.760 2.780 4.260 3.792 3.779 3.812 . 0 0 "[ . 1 . 2 ]" 1
1176 2 10 DA H2 2 11 DT H1' 5.000 3.000 5.500 3.436 3.218 3.924 . 0 0 "[ . 1 . 2 ]" 1
1177 2 10 DA H2' 2 11 DT H6 3.310 . 3.810 3.252 3.040 3.322 . 0 0 "[ . 1 . 2 ]" 1
1178 2 10 DA H2'' 2 11 DT H6 3.140 . 3.640 2.291 2.170 2.383 . 0 0 "[ . 1 . 2 ]" 1
1179 2 10 DA H8 2 11 DT M7 4.260 2.710 4.760 2.705 2.583 2.984 0.127 7 0 "[ . 1 . 2 ]" 1
1180 2 11 DT H1' 2 11 DT H4' 3.620 2.170 4.120 2.457 2.379 2.643 . 0 0 "[ . 1 . 2 ]" 1
1181 2 11 DT H1' 2 11 DT H6 5.000 3.000 5.500 3.711 3.682 3.733 . 0 0 "[ . 1 . 2 ]" 1
1182 2 11 DT H2' 2 11 DT H6 2.810 . 3.310 2.598 2.462 2.658 . 0 0 "[ . 1 . 2 ]" 1
1183 2 11 DT H2'' 2 11 DT H3' 3.860 2.320 4.360 2.898 2.838 2.939 . 0 0 "[ . 1 . 2 ]" 1
1184 2 11 DT H2'' 2 11 DT H6 3.940 2.370 4.440 3.982 3.884 4.026 . 0 0 "[ . 1 . 2 ]" 1
1185 2 11 DT H4' 2 11 DT H6 5.000 3.000 5.500 4.571 4.493 4.613 . 0 0 "[ . 1 . 2 ]" 1
1186 2 11 DT H6 2 11 DT M7 3.130 . 3.630 2.293 2.263 2.367 . 0 0 "[ . 1 . 2 ]" 1
1187 2 11 DT H1' 2 12 DC H6 5.000 3.000 5.500 4.184 4.038 4.359 . 0 0 "[ . 1 . 2 ]" 1
1188 2 11 DT H2' 2 12 DC H6 3.440 2.060 3.940 2.732 2.602 2.956 . 0 0 "[ . 1 . 2 ]" 1
1189 2 11 DT H6 2 12 DC H5 4.030 2.980 4.530 3.715 3.568 3.983 . 0 0 "[ . 1 . 2 ]" 1
1190 2 12 DC H1' 2 12 DC H2'' 3.170 . 3.670 2.417 2.364 2.434 . 0 0 "[ . 1 . 2 ]" 1
1191 2 12 DC H1' 2 12 DC H4' 3.510 2.110 4.010 2.778 2.575 2.960 . 0 0 "[ . 1 . 2 ]" 1
1192 2 12 DC H1' 2 12 DC H6 5.000 3.000 5.500 3.749 3.737 3.756 . 0 0 "[ . 1 . 2 ]" 1
1193 2 12 DC H2' 2 12 DC H6 2.830 . 3.330 2.315 2.208 2.543 . 0 0 "[ . 1 . 2 ]" 1
1194 2 12 DC H2'' 2 12 DC H6 4.230 2.530 4.730 3.706 3.580 3.935 . 0 0 "[ . 1 . 2 ]" 1
1195 2 12 DC H3' 2 12 DC Q5' 4.040 2.190 4.540 2.488 2.440 2.566 . 0 0 "[ . 1 . 2 ]" 1
1196 2 12 DC H4' 2 12 DC H6 5.000 3.000 5.500 4.662 4.610 4.710 . 0 0 "[ . 1 . 2 ]" 1
1197 2 12 DC H5 2 12 DC H6 2.780 2.060 3.280 2.410 2.405 2.416 . 0 0 "[ . 1 . 2 ]" 1
1198 2 12 DC H1' 2 13 DC H6 5.000 3.000 5.500 4.127 4.042 4.266 . 0 0 "[ . 1 . 2 ]" 1
1199 2 12 DC H2' 2 13 DC H6 4.090 2.450 4.590 3.007 2.648 3.171 . 0 0 "[ . 1 . 2 ]" 1
1200 2 12 DC H2'' 2 13 DC H6 3.380 2.020 3.880 2.313 2.241 2.373 . 0 0 "[ . 1 . 2 ]" 1
1201 2 12 DC H3' 2 13 DC H6 5.000 3.000 5.500 4.728 4.337 4.881 . 0 0 "[ . 1 . 2 ]" 1
1202 2 13 DC H1' 2 13 DC H2' 4.260 2.560 4.760 3.011 2.988 3.057 . 0 0 "[ . 1 . 2 ]" 1
1203 2 13 DC H1' 2 13 DC H2'' 2.880 . 3.380 2.273 2.236 2.450 . 0 0 "[ . 1 . 2 ]" 1
1204 2 13 DC H1' 2 13 DC H4' 3.520 2.120 4.020 2.463 2.398 2.789 . 0 0 "[ . 1 . 2 ]" 1
1205 2 13 DC H1' 2 13 DC H6 4.010 2.970 4.510 3.710 3.696 3.740 . 0 0 "[ . 1 . 2 ]" 1
1206 2 13 DC H2' 2 13 DC H3' 2.910 . 3.410 2.249 2.238 2.341 . 0 0 "[ . 1 . 2 ]" 1
1207 2 13 DC H2' 2 13 DC H6 3.080 . 3.580 2.592 2.210 2.668 . 0 0 "[ . 1 . 2 ]" 1
1208 2 13 DC H2'' 2 13 DC H3' 3.470 2.070 3.970 2.943 2.740 2.970 . 0 0 "[ . 1 . 2 ]" 1
1209 2 13 DC H2'' 2 13 DC H6 3.950 2.370 4.450 3.989 3.505 4.041 . 0 0 "[ . 1 . 2 ]" 1
1210 2 13 DC H3' 2 13 DC H4' 3.340 . 3.840 3.022 2.869 3.038 . 0 0 "[ . 1 . 2 ]" 1
1211 2 13 DC H3' 2 13 DC H6 4.240 2.540 4.740 3.502 3.243 4.302 . 0 0 "[ . 1 . 2 ]" 1
1212 2 13 DC H4' 2 13 DC H6 5.000 3.000 5.500 4.555 4.512 4.761 . 0 0 "[ . 1 . 2 ]" 1
1213 2 13 DC H5 2 13 DC H6 2.700 . 3.200 2.431 2.418 2.439 . 0 0 "[ . 1 . 2 ]" 1
1214 2 13 DC H1' 2 14 DA H8 5.000 3.000 5.500 4.951 4.135 5.033 . 0 0 "[ . 1 . 2 ]" 1
1215 2 13 DC H2' 2 14 DA H8 5.000 3.000 5.500 3.034 2.945 4.687 0.055 4 0 "[ . 1 . 2 ]" 1
1216 2 13 DC H2'' 2 14 DA H8 5.000 3.000 5.500 2.946 2.930 2.956 0.070 12 0 "[ . 1 . 2 ]" 1
1217 2 13 DC H3' 2 14 DA H8 5.000 3.000 5.500 4.557 4.404 4.894 . 0 0 "[ . 1 . 2 ]" 1
1218 2 14 DA H1' 2 14 DA H2 5.000 3.000 5.500 4.548 4.529 4.566 . 0 0 "[ . 1 . 2 ]" 1
1219 2 14 DA H1' 2 14 DA H2' 3.920 2.360 4.420 3.052 3.037 3.059 . 0 0 "[ . 1 . 2 ]" 1
1220 2 14 DA H1' 2 14 DA H2'' 3.030 . 3.530 2.408 2.363 2.425 . 0 0 "[ . 1 . 2 ]" 1
1221 2 14 DA H1' 2 14 DA H4' 3.800 2.280 4.300 3.136 2.848 3.402 . 0 0 "[ . 1 . 2 ]" 1
1222 2 14 DA H2'' 2 14 DA H3' 3.080 . 3.580 2.744 2.718 2.781 . 0 0 "[ . 1 . 2 ]" 1
1223 2 14 DA H3' 2 14 DA H4' 3.550 2.130 4.050 2.811 2.749 2.894 . 0 0 "[ . 1 . 2 ]" 1
1224 2 14 DA H3' 2 14 DA H8 5.000 3.000 5.500 4.390 4.315 4.483 . 0 0 "[ . 1 . 2 ]" 1
1225 2 14 DA H4' 2 14 DA H8 5.000 3.000 5.500 5.043 4.964 5.072 . 0 0 "[ . 1 . 2 ]" 1
1226 2 14 DA H2 2 15 DA H1' 5.000 3.000 5.500 4.098 3.718 4.506 . 0 0 "[ . 1 . 2 ]" 1
1227 2 15 DA H1' 2 15 DA H4' 3.740 . 4.240 2.822 2.685 3.131 . 0 0 "[ . 1 . 2 ]" 1
1228 2 15 DA H1' 2 15 DA H8 5.000 3.000 5.500 3.910 3.881 3.921 . 0 0 "[ . 1 . 2 ]" 1
1229 2 15 DA H2'' 2 15 DA H8 5.000 3.000 5.500 3.975 3.751 4.510 . 0 0 "[ . 1 . 2 ]" 1
1230 2 15 DA H3' 2 15 DA H8 5.000 3.000 5.500 4.166 2.990 4.522 0.010 2 0 "[ . 1 . 2 ]" 1
1231 2 15 DA H4' 2 15 DA H8 5.000 3.000 5.500 4.908 4.620 5.005 . 0 0 "[ . 1 . 2 ]" 1
1232 1 2 DT H2'' 1 2 DT H6 4.640 . 5.140 3.538 3.376 3.658 . 0 0 "[ . 1 . 2 ]" 1
1233 1 10 DA H2'' 1 10 DA H8 5.620 2.680 6.120 3.433 3.360 3.493 . 0 0 "[ . 1 . 2 ]" 1
1234 1 8 DG H3' 1 8 DG H8 4.010 . 4.510 2.395 2.380 2.409 . 0 0 "[ . 1 . 2 ]" 1
1235 1 14 DC H1' 1 14 DC H2'' 3.410 . 3.910 2.078 2.063 2.102 . 0 0 "[ . 1 . 2 ]" 1
1236 1 9 DG H1' 1 10 DA H8 4.040 2.380 4.540 3.081 2.960 3.215 . 0 0 "[ . 1 . 2 ]" 1
1237 2 6 DT H1' 2 6 DT H2' 4.400 2.110 4.900 2.722 2.717 2.726 . 0 0 "[ . 1 . 2 ]" 1
1238 2 6 DT H1' 2 6 DT H4' 5.270 2.520 5.770 2.492 2.336 2.604 0.184 12 0 "[ . 1 . 2 ]" 1
1239 1 1 DT H6 1 2 DT H2'' 5.080 . 5.580 3.535 3.373 3.653 . 0 0 "[ . 1 . 2 ]" 1
1240 1 12 DA H1' 1 12 DA H4' 5.220 2.070 5.720 2.658 2.480 2.840 . 0 0 "[ . 1 . 2 ]" 1
1241 1 9 DG H3' 1 9 DG H8 5.270 2.520 5.770 3.774 3.572 4.006 . 0 0 "[ . 1 . 2 ]" 1
1242 1 13 DC H3' 1 14 DC H6 5.050 2.260 5.550 3.518 3.434 3.678 . 0 0 "[ . 1 . 2 ]" 1
1243 2 4 DT H3' 2 4 DT H6 4.570 2.180 5.070 3.509 3.384 3.616 . 0 0 "[ . 1 . 2 ]" 1
1244 2 3 DG H3' 2 4 DT H6 6.130 2.930 6.630 4.364 4.280 4.467 . 0 0 "[ . 1 . 2 ]" 1
1245 1 10 DA H4' 1 10 DA H8 6.270 3.000 6.770 4.266 4.197 4.343 . 0 0 "[ . 1 . 2 ]" 1
1246 1 4 DG Q5' 1 4 DG H8 6.720 3.000 7.220 3.684 3.492 3.816 . 0 0 "[ . 1 . 2 ]" 1
1247 1 7 DG H4' 1 8 DG H8 6.270 3.000 6.770 4.904 4.770 5.012 . 0 0 "[ . 1 . 2 ]" 1
1248 1 2 DT H4' 1 2 DT H6 6.360 2.450 6.860 4.427 4.358 4.474 . 0 0 "[ . 1 . 2 ]" 1
1249 1 2 DT Q5' 1 2 DT H6 6.720 3.000 7.220 3.912 3.837 4.009 . 0 0 "[ . 1 . 2 ]" 1
1250 1 13 DC H4' 1 14 DC H6 6.410 2.440 6.910 3.626 3.493 3.722 . 0 0 "[ . 1 . 2 ]" 1
1251 1 4 DG H2' 1 4 DG H8 3.860 . 4.360 2.100 2.058 2.146 . 0 0 "[ . 1 . 2 ]" 1
1252 1 6 DT H2' 1 7 DG H8 6.330 2.430 6.830 2.819 2.405 3.069 0.025 4 0 "[ . 1 . 2 ]" 1
1253 2 14 DA H2' 2 14 DA H8 4.730 . 5.230 2.101 2.043 2.223 . 0 0 "[ . 1 . 2 ]" 1
1254 1 12 DA H2'' 1 12 DA H8 4.540 2.170 5.040 3.329 3.230 3.609 . 0 0 "[ . 1 . 2 ]" 1
1255 1 10 DA H2' 1 10 DA H8 4.430 . 4.930 2.212 2.051 2.320 . 0 0 "[ . 1 . 2 ]" 1
1256 1 1 DT H1' 1 1 DT H6 4.490 2.880 4.990 3.488 3.438 3.520 . 0 0 "[ . 1 . 2 ]" 1
1257 1 1 DT H3' 1 1 DT H6 4.520 . 5.020 3.911 3.758 4.056 . 0 0 "[ . 1 . 2 ]" 1
1258 1 1 DT H2' 1 1 DT H6 3.460 . 3.960 2.405 2.335 2.465 . 0 0 "[ . 1 . 2 ]" 1
1259 1 1 DT H2'' 1 1 DT H6 4.380 . 4.880 2.387 2.279 2.500 . 0 0 "[ . 1 . 2 ]" 1
1260 1 1 DT H6 1 2 DT M7 3.770 . 4.270 2.228 2.199 2.251 . 0 0 "[ . 1 . 2 ]" 1
1261 1 3 DG H2'' 1 4 DG H8 4.210 2.260 4.250 2.351 2.225 2.507 0.035 1 0 "[ . 1 . 2 ]" 1
1262 1 4 DG H2'' 1 5 DA H8 3.650 . 4.150 2.305 2.186 2.368 . 0 0 "[ . 1 . 2 ]" 1
1263 1 4 DG H2' 1 5 DA H8 3.670 . 3.920 2.322 2.199 2.348 . 0 0 "[ . 1 . 2 ]" 1
1264 1 5 DA H4' 1 6 DT H6 6.000 3.000 6.500 3.904 3.782 4.120 . 0 0 "[ . 1 . 2 ]" 1
1265 1 6 DT H3' 1 7 DG H8 5.600 3.000 6.100 3.900 3.737 4.014 . 0 0 "[ . 1 . 2 ]" 1
1266 1 8 DG H1' 1 8 DG H8 4.370 3.000 4.870 3.354 3.187 3.552 . 0 0 "[ . 1 . 2 ]" 1
1267 1 8 DG H4' 1 8 DG H8 5.600 3.000 6.100 4.710 4.645 4.769 . 0 0 "[ . 1 . 2 ]" 1
1268 1 8 DG H2' 1 8 DG H8 3.150 . 3.650 2.367 2.271 2.474 . 0 0 "[ . 1 . 2 ]" 1
1269 1 8 DG H2'' 1 8 DG H8 3.370 . 3.870 2.476 2.349 2.806 . 0 0 "[ . 1 . 2 ]" 1
1270 1 13 DC H2' 1 14 DC H6 3.100 . 3.480 2.388 2.227 2.463 . 0 0 "[ . 1 . 2 ]" 1
1271 1 14 DC H2'' 1 15 DG H8 5.040 2.160 5.540 2.298 2.203 2.334 . 0 0 "[ . 1 . 2 ]" 1
1272 1 7 DG H8 1 15 DG H2' 4.700 2.020 5.200 2.400 2.275 2.446 . 0 0 "[ . 1 . 2 ]" 1
1273 2 2 DG Q2' 2 2 DG H8 4.930 2.640 5.430 2.427 2.312 3.154 0.328 14 0 "[ . 1 . 2 ]" 1
1274 2 2 DG H1' 2 2 DG Q2' 3.650 . 4.150 2.345 2.153 2.394 . 0 0 "[ . 1 . 2 ]" 1
1275 2 2 DG H2' 2 3 DG H8 4.050 2.170 4.550 3.419 2.493 3.557 . 0 0 "[ . 1 . 2 ]" 1
1276 2 2 DG Q2' 2 3 DG H8 3.340 . 3.840 2.267 2.023 2.386 . 0 0 "[ . 1 . 2 ]" 1
1277 2 3 DG H1' 2 4 DT H6 . 3.000 4.450 3.241 3.120 3.365 . 0 0 "[ . 1 . 2 ]" 1
1278 2 4 DT H2' 2 5 DC H6 3.340 . 3.840 2.518 2.209 2.706 . 0 0 "[ . 1 . 2 ]" 1
1279 2 4 DT H4' 2 5 DC H6 5.600 3.000 6.100 4.479 4.422 4.566 . 0 0 "[ . 1 . 2 ]" 1
1280 2 7 DC H2' 2 8 DC H6 3.340 . 3.840 2.589 2.441 2.664 . 0 0 "[ . 1 . 2 ]" 1
1281 2 8 DC H1' 2 8 DC H6 4.290 2.830 4.790 3.424 3.393 3.466 . 0 0 "[ . 1 . 2 ]" 1
1282 2 7 DC H3' 2 8 DC H6 4.100 2.200 4.600 3.211 3.033 3.545 . 0 0 "[ . 1 . 2 ]" 1
1283 2 8 DC H2'' 2 9 DC H6 3.830 2.060 3.980 2.207 2.151 2.298 . 0 0 "[ . 1 . 2 ]" 1
1284 2 9 DC H4' 2 10 DA H8 6.000 3.000 6.500 4.177 3.667 4.442 . 0 0 "[ . 1 . 2 ]" 1
1285 2 11 DT H3' 2 12 DC H6 5.150 2.760 5.650 3.817 3.757 3.860 . 0 0 "[ . 1 . 2 ]" 1
1286 2 14 DA H1' 2 14 DA H8 5.600 3.000 6.100 3.158 2.933 3.344 0.067 16 0 "[ . 1 . 2 ]" 1
1287 2 14 DA H2'' 2 14 DA H8 5.230 2.630 5.730 2.345 2.305 2.407 0.325 16 0 "[ . 1 . 2 ]" 1
1288 2 14 DA H8 2 15 DA H2'' 5.600 3.000 6.100 3.966 3.745 4.497 . 0 0 "[ . 1 . 2 ]" 1
1289 1 8 DG H8 3 23 ALA MB 7.550 . 8.050 3.501 3.026 3.795 . 0 0 "[ . 1 . 2 ]" 1
1290 1 7 DG H4' 3 27 LYS QE 7.060 . 7.560 4.977 4.463 5.037 . 0 0 "[ . 1 . 2 ]" 1
1291 2 2 DG Q2' 3 17 LYS HD2 5.600 . 6.100 3.595 2.484 4.697 . 0 0 "[ . 1 . 2 ]" 1
1292 2 2 DG Q2' 3 17 LYS HD3 5.600 . 6.100 3.373 2.558 5.005 . 0 0 "[ . 1 . 2 ]" 1
1293 2 4 DT H6 3 17 LYS QE 7.060 . 7.560 5.040 5.007 5.076 . 0 0 "[ . 1 . 2 ]" 1
1294 1 3 DG Q5' 3 73 LEU QD 7.880 . 8.380 2.934 2.816 3.061 . 0 0 "[ . 1 . 2 ]" 1
1295 2 8 DC Q5' 3 79 ALA MB 8.500 . 9.000 4.731 4.640 4.839 . 0 0 "[ . 1 . 2 ]" 1
1296 2 8 DC H6 3 79 ALA MB 5.780 . 6.280 2.693 2.474 2.792 . 0 0 "[ . 1 . 2 ]" 1
1297 2 8 DC H6 3 79 ALA HA 6.720 . 7.220 4.137 3.773 4.401 . 0 0 "[ . 1 . 2 ]" 1
1298 2 8 DC H2'' 3 79 ALA MB 5.180 . 5.680 3.795 3.663 3.852 . 0 0 "[ . 1 . 2 ]" 1
1299 3 52 THR HB 3 53 ARG QG 4.230 . 4.730 2.792 2.325 2.999 . 0 0 "[ . 1 . 2 ]" 1
1300 1 6 DT M7 3 53 ARG QD 6.350 . 6.850 2.430 1.996 3.239 . 0 0 "[ . 1 . 2 ]" 1
1301 3 62 LYS QG 3 76 THR MG 4.610 . 5.110 2.461 2.331 2.714 . 0 0 "[ . 1 . 2 ]" 1
1302 3 53 ARG QG 3 56 LEU QD 7.880 . 8.380 3.386 2.075 3.587 . 0 0 "[ . 1 . 2 ]" 1
1303 3 56 LEU QD 3 76 THR HB 5.960 . 6.460 2.631 2.425 2.821 . 0 0 "[ . 1 . 2 ]" 1
1304 3 56 LEU QD 3 76 THR HA 5.960 . 6.460 2.656 2.313 2.948 . 0 0 "[ . 1 . 2 ]" 1
1305 3 37 LYS HA 3 43 LYS QE 4.230 . 4.730 2.696 2.213 3.008 . 0 0 "[ . 1 . 2 ]" 1
1306 3 36 CYS HB3 3 43 LYS QG 6.050 . 6.550 2.856 2.664 3.146 . 0 0 "[ . 1 . 2 ]" 1
1307 3 19 TRP HA 3 33 PRO QD 6.000 . 6.500 4.429 3.880 4.879 . 0 0 "[ . 1 . 2 ]" 1
1308 3 16 ASN QB 3 17 LYS QG 7.940 . 8.440 3.452 2.778 4.031 . 0 0 "[ . 1 . 2 ]" 1
1309 2 2 DG Q2' 3 17 LYS H 6.300 . 6.800 4.528 3.728 5.048 . 0 0 "[ . 1 . 2 ]" 1
1310 3 48 LEU H 3 51 LEU H 4.800 . 5.300 2.681 2.483 2.766 . 0 0 "[ . 1 . 2 ]" 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 76
_Distance_constraint_stats_list.Viol_count 4
_Distance_constraint_stats_list.Viol_total 0.757
_Distance_constraint_stats_list.Viol_max 0.012
_Distance_constraint_stats_list.Viol_rms 0.0004
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0086
_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 1 DT 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 2 DT 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 3 DG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 4 DG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 5 DA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 6 DT 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 7 DG 0.034 0.012 11 0 "[ . 1 . 2 ]"
1 8 DG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 9 DG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 10 DA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 11 DG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 12 DA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 13 DC 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 14 DC 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 15 DG 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 1 DC 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 2 DG 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 3 DG 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 4 DT 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 5 DC 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 6 DT 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 7 DC 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 8 DC 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 9 DC 0.034 0.012 11 0 "[ . 1 . 2 ]"
2 10 DA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 11 DT 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 12 DC 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 13 DC 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 14 DA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 15 DA 0.000 0.000 . 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 DT N3 2 15 DA N1 3.100 2.700 3.600 2.823 2.814 2.833 . 0 0 "[ . 1 . 2 ]" 2
2 1 1 DT O4 2 15 DA N6 3.100 2.700 3.600 2.864 2.841 2.882 . 0 0 "[ . 1 . 2 ]" 2
3 1 1 DT H3 2 15 DA N1 2.070 . 2.570 1.808 1.799 1.820 . 0 0 "[ . 1 . 2 ]" 2
4 1 1 DT O4 2 15 DA H61 2.070 . 2.570 1.869 1.863 1.881 . 0 0 "[ . 1 . 2 ]" 2
5 1 2 DT N3 2 14 DA N1 3.100 2.700 3.600 2.804 2.793 2.820 . 0 0 "[ . 1 . 2 ]" 2
6 1 2 DT O4 2 14 DA N6 3.100 2.700 3.600 2.898 2.852 2.941 . 0 0 "[ . 1 . 2 ]" 2
7 1 2 DT H3 2 14 DA N1 2.070 . 2.570 1.792 1.786 1.804 . 0 0 "[ . 1 . 2 ]" 2
8 1 2 DT O4 2 14 DA H61 2.070 . 2.570 1.902 1.882 1.930 . 0 0 "[ . 1 . 2 ]" 2
9 1 3 DG N1 2 13 DC N3 3.100 2.700 3.600 2.829 2.818 2.849 . 0 0 "[ . 1 . 2 ]" 2
10 1 3 DG O6 2 13 DC N4 3.100 2.700 3.600 2.868 2.851 2.888 . 0 0 "[ . 1 . 2 ]" 2
11 1 3 DG N2 2 13 DC O2 3.100 2.700 3.600 2.808 2.791 2.818 . 0 0 "[ . 1 . 2 ]" 2
12 1 3 DG H1 2 13 DC N3 2.070 . 2.570 1.813 1.803 1.831 . 0 0 "[ . 1 . 2 ]" 2
13 1 3 DG H21 2 13 DC O2 2.070 . 2.570 1.813 1.801 1.823 . 0 0 "[ . 1 . 2 ]" 2
14 1 3 DG O6 2 13 DC H41 2.070 . 2.570 1.909 1.860 1.963 . 0 0 "[ . 1 . 2 ]" 2
15 1 4 DG N1 2 12 DC N3 3.100 2.700 3.600 2.829 2.814 2.838 . 0 0 "[ . 1 . 2 ]" 2
16 1 4 DG O6 2 12 DC N4 3.100 2.700 3.600 2.852 2.837 2.866 . 0 0 "[ . 1 . 2 ]" 2
17 1 4 DG N2 2 12 DC O2 3.100 2.700 3.600 2.845 2.825 2.862 . 0 0 "[ . 1 . 2 ]" 2
18 1 4 DG H1 2 12 DC N3 2.070 . 2.570 1.811 1.798 1.819 . 0 0 "[ . 1 . 2 ]" 2
19 1 4 DG H21 2 12 DC O2 2.070 . 2.570 1.836 1.819 1.852 . 0 0 "[ . 1 . 2 ]" 2
20 1 4 DG O6 2 12 DC H41 2.070 . 2.570 1.843 1.829 1.856 . 0 0 "[ . 1 . 2 ]" 2
21 1 5 DA N1 2 11 DT N3 3.100 2.700 3.600 2.807 2.797 2.816 . 0 0 "[ . 1 . 2 ]" 2
22 1 5 DA N6 2 11 DT O4 3.100 2.700 3.600 2.869 2.822 2.944 . 0 0 "[ . 1 . 2 ]" 2
23 1 5 DA N1 2 11 DT H3 2.070 . 2.570 1.796 1.786 1.809 . 0 0 "[ . 1 . 2 ]" 2
24 1 5 DA H61 2 11 DT O4 2.070 . 2.570 1.880 1.837 1.946 . 0 0 "[ . 1 . 2 ]" 2
25 1 6 DT N3 2 10 DA N1 3.100 2.700 3.600 2.825 2.806 2.848 . 0 0 "[ . 1 . 2 ]" 2
26 1 6 DT O4 2 10 DA N6 3.100 2.700 3.600 2.900 2.838 3.083 . 0 0 "[ . 1 . 2 ]" 2
27 1 7 DG N1 2 9 DC N3 3.100 2.700 3.600 2.817 2.775 2.851 . 0 0 "[ . 1 . 2 ]" 2
28 1 7 DG O6 2 9 DC N4 3.100 2.700 3.600 2.743 2.688 2.793 0.012 11 0 "[ . 1 . 2 ]" 2
29 1 7 DG N2 2 9 DC O2 3.100 2.700 3.600 2.911 2.870 2.956 . 0 0 "[ . 1 . 2 ]" 2
30 1 7 DG H1 2 9 DC N3 2.070 . 2.570 1.804 1.778 1.834 . 0 0 "[ . 1 . 2 ]" 2
31 1 7 DG H21 2 9 DC O2 2.070 . 2.570 1.901 1.867 1.956 . 0 0 "[ . 1 . 2 ]" 2
32 1 7 DG O6 2 9 DC H41 2.070 . 2.570 1.817 1.776 1.887 . 0 0 "[ . 1 . 2 ]" 2
33 1 8 DG N1 2 8 DC N3 3.100 2.700 3.600 2.855 2.829 2.899 . 0 0 "[ . 1 . 2 ]" 2
34 1 8 DG O6 2 8 DC N4 3.100 2.700 3.600 2.808 2.760 2.858 . 0 0 "[ . 1 . 2 ]" 2
35 1 8 DG N2 2 8 DC O2 3.100 2.700 3.600 2.854 2.826 2.895 . 0 0 "[ . 1 . 2 ]" 2
36 1 8 DG H1 2 8 DC N3 2.070 . 2.570 1.849 1.821 1.882 . 0 0 "[ . 1 . 2 ]" 2
37 1 8 DG H21 2 8 DC O2 2.070 . 2.570 1.857 1.820 1.930 . 0 0 "[ . 1 . 2 ]" 2
38 1 8 DG O6 2 8 DC H41 2.070 . 2.570 1.832 1.803 1.879 . 0 0 "[ . 1 . 2 ]" 2
39 1 9 DG N1 2 7 DC N3 3.100 2.700 3.600 2.854 2.837 2.875 . 0 0 "[ . 1 . 2 ]" 2
40 1 9 DG O6 2 7 DC N4 3.100 2.700 3.600 2.824 2.800 2.852 . 0 0 "[ . 1 . 2 ]" 2
41 1 9 DG N2 2 7 DC O2 3.100 2.700 3.600 2.839 2.805 2.894 . 0 0 "[ . 1 . 2 ]" 2
42 1 9 DG H1 2 7 DC N3 2.070 . 2.570 1.847 1.824 1.866 . 0 0 "[ . 1 . 2 ]" 2
43 1 9 DG H21 2 7 DC O2 2.070 . 2.570 1.849 1.822 1.882 . 0 0 "[ . 1 . 2 ]" 2
44 1 9 DG O6 2 7 DC H41 2.070 . 2.570 1.833 1.806 1.856 . 0 0 "[ . 1 . 2 ]" 2
45 1 10 DA N1 2 6 DT N3 3.100 2.700 3.600 2.813 2.777 2.852 . 0 0 "[ . 1 . 2 ]" 2
46 1 10 DA N6 2 6 DT O4 3.100 2.700 3.600 2.851 2.808 2.920 . 0 0 "[ . 1 . 2 ]" 2
47 1 10 DA N1 2 6 DT H3 2.070 . 2.570 1.804 1.779 1.838 . 0 0 "[ . 1 . 2 ]" 2
48 1 10 DA H61 2 6 DT O4 2.070 . 2.570 1.845 1.807 1.907 . 0 0 "[ . 1 . 2 ]" 2
49 1 11 DG N1 2 5 DC N3 3.100 2.700 3.600 2.839 2.819 2.850 . 0 0 "[ . 1 . 2 ]" 2
50 1 11 DG O6 2 5 DC N4 3.100 2.700 3.600 2.850 2.820 2.902 . 0 0 "[ . 1 . 2 ]" 2
51 1 11 DG N2 2 5 DC O2 3.100 2.700 3.600 2.810 2.774 2.834 . 0 0 "[ . 1 . 2 ]" 2
52 1 11 DG H1 2 5 DC N3 2.070 . 2.570 1.825 1.814 1.848 . 0 0 "[ . 1 . 2 ]" 2
53 1 11 DG H21 2 5 DC O2 2.070 . 2.570 1.813 1.794 1.848 . 0 0 "[ . 1 . 2 ]" 2
54 1 11 DG O6 2 5 DC H41 2.070 . 2.570 1.864 1.824 1.929 . 0 0 "[ . 1 . 2 ]" 2
55 1 12 DA N1 2 4 DT N3 3.100 2.700 3.600 2.813 2.786 2.847 . 0 0 "[ . 1 . 2 ]" 2
56 1 12 DA N6 2 4 DT O4 3.100 2.700 3.600 2.847 2.791 2.905 . 0 0 "[ . 1 . 2 ]" 2
57 1 12 DA N1 2 4 DT H3 2.070 . 2.570 1.800 1.777 1.827 . 0 0 "[ . 1 . 2 ]" 2
58 1 12 DA H61 2 4 DT O4 2.070 . 2.570 1.869 1.831 1.912 . 0 0 "[ . 1 . 2 ]" 2
59 1 13 DC N3 2 3 DG N1 3.100 2.700 3.600 2.834 2.819 2.865 . 0 0 "[ . 1 . 2 ]" 2
60 1 13 DC N4 2 3 DG O6 3.100 2.700 3.600 2.833 2.811 2.863 . 0 0 "[ . 1 . 2 ]" 2
61 1 13 DC O2 2 3 DG N2 3.100 2.700 3.600 2.840 2.820 2.858 . 0 0 "[ . 1 . 2 ]" 2
62 1 13 DC N3 2 3 DG H1 2.070 . 2.570 1.823 1.810 1.846 . 0 0 "[ . 1 . 2 ]" 2
63 1 13 DC O2 2 3 DG H21 2.070 . 2.570 1.843 1.826 1.858 . 0 0 "[ . 1 . 2 ]" 2
64 1 13 DC H41 2 3 DG O6 2.070 . 2.570 1.862 1.838 1.885 . 0 0 "[ . 1 . 2 ]" 2
65 1 14 DC N3 2 2 DG N1 3.100 2.700 3.600 2.830 2.823 2.842 . 0 0 "[ . 1 . 2 ]" 2
66 1 14 DC N4 2 2 DG O6 3.100 2.700 3.600 2.836 2.808 2.872 . 0 0 "[ . 1 . 2 ]" 2
67 1 14 DC O2 2 2 DG N2 3.100 2.700 3.600 2.812 2.791 2.826 . 0 0 "[ . 1 . 2 ]" 2
68 1 14 DC N3 2 2 DG H1 2.070 . 2.570 1.815 1.807 1.824 . 0 0 "[ . 1 . 2 ]" 2
69 1 14 DC O2 2 2 DG H21 2.070 . 2.570 1.819 1.806 1.844 . 0 0 "[ . 1 . 2 ]" 2
70 1 14 DC H41 2 2 DG O6 2.070 . 2.570 1.860 1.836 1.891 . 0 0 "[ . 1 . 2 ]" 2
71 1 15 DG N1 2 1 DC N3 3.100 2.700 3.600 2.852 2.838 2.862 . 0 0 "[ . 1 . 2 ]" 2
72 1 15 DG O6 2 1 DC N4 3.100 2.700 3.600 2.823 2.808 2.843 . 0 0 "[ . 1 . 2 ]" 2
73 1 15 DG N2 2 1 DC O2 3.100 2.700 3.600 2.833 2.814 2.844 . 0 0 "[ . 1 . 2 ]" 2
74 1 15 DG H1 2 1 DC N3 2.070 . 2.570 1.836 1.829 1.843 . 0 0 "[ . 1 . 2 ]" 2
75 1 15 DG H21 2 1 DC O2 2.070 . 2.570 1.830 1.824 1.837 . 0 0 "[ . 1 . 2 ]" 2
76 1 15 DG O6 2 1 DC H41 2.070 . 2.570 1.836 1.826 1.857 . 0 0 "[ . 1 . 2 ]" 2
stop_
save_
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