NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
610641 |
2n9g   |
25905 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n9g
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 718
_Distance_constraint_stats_list.Viol_count 1172
_Distance_constraint_stats_list.Viol_total 804.093
_Distance_constraint_stats_list.Viol_max 0.542
_Distance_constraint_stats_list.Viol_rms 0.0141
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.0343
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ASN 0.005 0.004 9 0 "[ . 1 . 2]"
1 5 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ARG 0.020 0.014 14 0 "[ . 1 . 2]"
1 7 ASP 0.079 0.062 14 0 "[ . 1 . 2]"
1 8 THR 0.090 0.062 14 0 "[ . 1 . 2]"
1 9 SER 0.011 0.005 2 0 "[ . 1 . 2]"
1 10 PHE 0.175 0.026 12 0 "[ . 1 . 2]"
1 11 ASN 0.173 0.035 5 0 "[ . 1 . 2]"
1 12 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ASN 1.257 0.057 11 0 "[ . 1 . 2]"
1 14 GLY 0.532 0.049 4 0 "[ . 1 . 2]"
1 15 CYS 0.064 0.035 18 0 "[ . 1 . 2]"
1 16 LEU 0.084 0.016 2 0 "[ . 1 . 2]"
1 17 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 PHE 0.533 0.043 16 0 "[ . 1 . 2]"
1 19 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 SER 0.977 0.090 8 0 "[ . 1 . 2]"
1 21 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 LEU 1.349 0.090 8 0 "[ . 1 . 2]"
1 23 TRP 0.218 0.043 15 0 "[ . 1 . 2]"
1 24 ASP 1.081 0.100 15 0 "[ . 1 . 2]"
1 25 LEU 1.486 0.115 17 0 "[ . 1 . 2]"
1 26 ASP 0.844 0.106 1 0 "[ . 1 . 2]"
1 27 LYS 1.078 0.194 15 0 "[ . 1 . 2]"
1 28 LEU 1.386 0.194 15 0 "[ . 1 . 2]"
1 29 GLY 0.869 0.080 4 0 "[ . 1 . 2]"
1 30 MET 0.111 0.068 14 0 "[ . 1 . 2]"
1 31 PHE 0.888 0.113 15 0 "[ . 1 . 2]"
1 32 HIS 3.044 0.113 15 0 "[ . 1 . 2]"
1 33 HIS 3.607 0.175 5 0 "[ . 1 . 2]"
1 34 PRO 3.320 0.175 5 0 "[ . 1 . 2]"
1 35 VAL 0.003 0.003 4 0 "[ . 1 . 2]"
1 36 SER 0.055 0.013 11 0 "[ . 1 . 2]"
1 37 ALA 0.769 0.084 1 0 "[ . 1 . 2]"
1 38 GLU 0.143 0.022 20 0 "[ . 1 . 2]"
1 39 GLU 0.730 0.084 1 0 "[ . 1 . 2]"
1 40 LEU 0.059 0.013 11 0 "[ . 1 . 2]"
1 41 PRO 0.602 0.077 9 0 "[ . 1 . 2]"
1 42 ASP 0.911 0.077 9 0 "[ . 1 . 2]"
1 43 TYR 0.416 0.075 5 0 "[ . 1 . 2]"
1 44 HIS 0.304 0.046 5 0 "[ . 1 . 2]"
1 45 THR 0.270 0.081 4 0 "[ . 1 . 2]"
1 46 VAL 0.594 0.075 5 0 "[ . 1 . 2]"
1 47 ILE 1.599 0.130 9 0 "[ . 1 . 2]"
1 48 LYS 0.896 0.130 9 0 "[ . 1 . 2]"
1 49 ARG 0.243 0.060 5 0 "[ . 1 . 2]"
1 50 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 VAL 1.371 0.153 20 0 "[ . 1 . 2]"
1 52 ASP 0.522 0.153 20 0 "[ . 1 . 2]"
1 53 LEU 0.640 0.054 3 0 "[ . 1 . 2]"
1 54 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ILE 0.991 0.086 12 0 "[ . 1 . 2]"
1 57 ARG 0.266 0.176 1 0 "[ . 1 . 2]"
1 58 ASP 1.462 0.086 12 0 "[ . 1 . 2]"
1 59 GLY 1.582 0.176 1 0 "[ . 1 . 2]"
1 60 ILE 2.974 0.152 18 0 "[ . 1 . 2]"
1 61 GLU 1.227 0.086 7 0 "[ . 1 . 2]"
1 62 LYS 1.747 0.086 7 0 "[ . 1 . 2]"
1 63 GLY 0.122 0.078 18 0 "[ . 1 . 2]"
1 64 THR 0.155 0.078 18 0 "[ . 1 . 2]"
1 65 TYR 3.358 0.160 18 0 "[ . 1 . 2]"
1 66 ALA 1.822 0.144 9 0 "[ . 1 . 2]"
1 67 THR 1.714 0.128 5 0 "[ . 1 . 2]"
1 68 ASP 0.172 0.026 12 0 "[ . 1 . 2]"
1 69 VAL 2.105 0.117 16 0 "[ . 1 . 2]"
1 70 ASP 1.270 0.126 16 0 "[ . 1 . 2]"
1 71 VAL 1.584 0.090 16 0 "[ . 1 . 2]"
1 72 GLN 0.745 0.542 9 1 "[ . +1 . 2]"
1 73 ASN 0.747 0.126 16 0 "[ . 1 . 2]"
1 74 ASP 1.530 0.117 16 0 "[ . 1 . 2]"
1 75 VAL 0.002 0.002 5 0 "[ . 1 . 2]"
1 76 ALA 0.415 0.052 9 0 "[ . 1 . 2]"
1 77 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 MET 1.755 0.106 10 0 "[ . 1 . 2]"
1 79 ILE 1.441 0.106 10 0 "[ . 1 . 2]"
1 80 THR 0.008 0.008 11 0 "[ . 1 . 2]"
1 81 ASN 0.645 0.102 5 0 "[ . 1 . 2]"
1 82 ALA 0.357 0.073 12 0 "[ . 1 . 2]"
1 83 LEU 0.562 0.073 12 0 "[ . 1 . 2]"
1 84 GLU 1.668 0.101 3 0 "[ . 1 . 2]"
1 85 TYR 0.165 0.058 18 0 "[ . 1 . 2]"
1 86 ASN 0.103 0.033 18 0 "[ . 1 . 2]"
1 87 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 LYS 0.016 0.014 12 0 "[ . 1 . 2]"
1 89 GLY 0.464 0.106 10 0 "[ . 1 . 2]"
1 90 SER 0.345 0.075 16 0 "[ . 1 . 2]"
1 91 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 TRP 0.466 0.106 10 0 "[ . 1 . 2]"
1 93 TYR 0.002 0.001 12 0 "[ . 1 . 2]"
1 94 GLN 0.158 0.041 8 0 "[ . 1 . 2]"
1 95 GLU 0.318 0.039 19 0 "[ . 1 . 2]"
1 96 ALA 0.704 0.089 19 0 "[ . 1 . 2]"
1 97 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 PHE 0.692 0.089 19 0 "[ . 1 . 2]"
1 100 ARG 0.017 0.015 16 0 "[ . 1 . 2]"
1 101 LYS 0.469 0.169 16 0 "[ . 1 . 2]"
1 102 THR 0.320 0.054 17 0 "[ . 1 . 2]"
1 103 TYR 0.030 0.030 8 0 "[ . 1 . 2]"
1 104 LEU 2.214 0.542 9 1 "[ . +1 . 2]"
1 105 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 LEU 0.161 0.020 11 0 "[ . 1 . 2]"
1 107 ALA 1.680 0.133 19 0 "[ . 1 . 2]"
1 108 ARG 0.491 0.057 5 0 "[ . 1 . 2]"
1 109 GLN 0.536 0.137 11 0 "[ . 1 . 2]"
1 110 SER 0.315 0.070 3 0 "[ . 1 . 2]"
1 111 GLY 0.443 0.137 11 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 2 SER QB 1 3 LYS HA 3.000 . 4.000 3.889 3.726 3.999 . 0 0 "[ . 1 . 2]" 1
2 1 3 LYS QE 1 3 LYS QG 3.000 . 4.000 2.167 1.980 2.406 . 0 0 "[ . 1 . 2]" 1
3 1 4 ASN H 1 4 ASN HA 3.000 . 4.000 2.713 2.273 2.948 . 0 0 "[ . 1 . 2]" 1
4 1 3 LYS HA 1 4 ASN H 3.000 . 4.000 2.690 2.209 3.571 . 0 0 "[ . 1 . 2]" 1
5 1 3 LYS QB 1 4 ASN H 3.300 . 4.300 3.002 2.011 3.987 . 0 0 "[ . 1 . 2]" 1
6 1 4 ASN H 1 7 ASP QB 5.500 . 6.500 6.312 4.880 6.504 0.004 9 0 "[ . 1 . 2]" 1
7 1 4 ASN HA 1 5 GLU H 3.000 . 4.000 2.566 2.140 3.566 . 0 0 "[ . 1 . 2]" 1
8 1 2 SER QB 1 5 GLU H 5.500 . 6.500 5.879 4.104 6.500 . 0 0 "[ . 1 . 2]" 1
9 1 5 GLU HA 1 6 ARG H 3.000 . 4.000 3.507 3.443 3.558 . 0 0 "[ . 1 . 2]" 1
10 1 5 GLU QB 1 6 ARG H 3.500 . 4.500 2.892 2.362 3.597 . 0 0 "[ . 1 . 2]" 1
11 1 5 GLU HG3 1 6 ARG H 3.500 . 4.500 3.818 2.323 4.498 . 0 0 "[ . 1 . 2]" 1
12 1 6 ARG H 1 6 ARG QB 3.500 . 4.500 2.716 2.217 3.245 . 0 0 "[ . 1 . 2]" 1
13 1 6 ARG H 1 6 ARG QG 3.500 . 4.500 3.451 2.008 4.419 . 0 0 "[ . 1 . 2]" 1
14 1 7 ASP H 1 7 ASP HA 3.000 . 4.000 2.849 2.275 2.948 . 0 0 "[ . 1 . 2]" 1
15 1 7 ASP H 1 7 ASP QB 3.200 . 4.200 2.967 2.398 3.361 . 0 0 "[ . 1 . 2]" 1
16 1 7 ASP H 1 8 THR MG 3.500 . 4.500 4.032 2.723 4.562 0.062 14 0 "[ . 1 . 2]" 1
17 1 7 ASP H 1 9 SER QB 3.500 . 4.500 4.163 2.768 4.503 0.003 18 0 "[ . 1 . 2]" 1
18 1 8 THR H 1 8 THR HA 3.000 . 4.000 2.650 2.276 2.935 . 0 0 "[ . 1 . 2]" 1
19 1 8 THR H 1 8 THR MG 3.100 . 4.100 2.723 2.055 3.490 . 0 0 "[ . 1 . 2]" 1
20 1 7 ASP HA 1 8 THR H 3.000 . 4.000 3.062 2.138 3.557 . 0 0 "[ . 1 . 2]" 1
21 1 7 ASP QB 1 8 THR H 3.500 . 4.500 3.656 2.654 4.029 . 0 0 "[ . 1 . 2]" 1
22 1 8 THR H 1 9 SER QB 4.200 . 5.200 4.135 3.205 4.965 . 0 0 "[ . 1 . 2]" 1
23 1 8 THR H 1 9 SER H 3.200 . 4.200 2.654 1.962 3.549 . 0 0 "[ . 1 . 2]" 1
24 1 6 ARG QG 1 8 THR H 3.800 . 4.800 3.770 2.434 4.806 0.006 14 0 "[ . 1 . 2]" 1
25 1 6 ARG QB 1 8 THR H 3.800 . 4.800 3.297 2.335 4.814 0.014 14 0 "[ . 1 . 2]" 1
26 1 8 THR HA 1 9 SER H 3.300 . 4.300 2.909 2.391 3.557 . 0 0 "[ . 1 . 2]" 1
27 1 8 THR MG 1 9 SER H 4.100 . 5.100 4.077 3.420 4.417 . 0 0 "[ . 1 . 2]" 1
28 1 9 SER H 1 9 SER QB 3.600 . 4.600 2.624 2.198 2.959 . 0 0 "[ . 1 . 2]" 1
29 1 9 SER H 1 10 PHE HB2 4.700 . 5.700 5.378 4.749 5.705 0.005 2 0 "[ . 1 . 2]" 1
30 1 9 SER HA 1 10 PHE H 3.000 . 4.000 3.527 3.453 3.568 . 0 0 "[ . 1 . 2]" 1
31 1 9 SER QB 1 10 PHE H 3.100 . 4.100 2.714 2.187 3.518 . 0 0 "[ . 1 . 2]" 1
32 1 10 PHE H 1 67 THR HA 5.500 . 6.500 4.933 4.620 5.491 . 0 0 "[ . 1 . 2]" 1
33 1 10 PHE H 1 68 ASP H 5.500 . 6.500 6.483 6.195 6.526 0.026 12 0 "[ . 1 . 2]" 1
34 1 11 ASN HB2 1 11 ASN QD 3.000 . 4.000 3.006 2.456 3.306 . 0 0 "[ . 1 . 2]" 1
35 1 11 ASN HA 1 11 ASN QD 3.000 . 4.000 3.569 2.774 4.005 0.005 5 0 "[ . 1 . 2]" 1
36 1 11 ASN HB3 1 11 ASN QD 3.000 . 4.000 2.208 2.098 2.533 . 0 0 "[ . 1 . 2]" 1
37 1 11 ASN QD 1 111 GLY HA3 5.500 . 6.500 2.596 1.928 5.181 . 0 0 "[ . 1 . 2]" 1
38 1 11 ASN QD 1 71 VAL QG 5.500 . 6.500 3.809 2.552 5.711 . 0 0 "[ . 1 . 2]" 1
39 1 11 ASN QD 1 110 SER HA 5.500 . 6.500 6.484 6.224 6.512 0.012 11 0 "[ . 1 . 2]" 1
40 1 11 ASN HA 1 12 LYS H 3.500 . 4.500 2.272 2.143 2.358 . 0 0 "[ . 1 . 2]" 1
41 1 11 ASN HB3 1 12 LYS H 3.500 . 4.500 4.247 3.665 4.475 . 0 0 "[ . 1 . 2]" 1
42 1 12 LYS H 1 12 LYS QB 3.300 . 4.300 2.321 2.170 2.576 . 0 0 "[ . 1 . 2]" 1
43 1 12 LYS H 1 12 LYS QG 3.500 . 4.500 3.271 2.119 4.021 . 0 0 "[ . 1 . 2]" 1
44 1 13 ASN H 1 13 ASN HA 3.000 . 4.000 2.786 2.779 2.790 . 0 0 "[ . 1 . 2]" 1
45 1 12 LYS HA 1 13 ASN H 3.000 . 4.000 3.505 3.497 3.507 . 0 0 "[ . 1 . 2]" 1
46 1 12 LYS QB 1 13 ASN H 3.500 . 4.500 2.998 2.714 3.497 . 0 0 "[ . 1 . 2]" 1
47 1 11 ASN HA 1 13 ASN H 3.200 . 4.200 3.478 3.380 3.678 . 0 0 "[ . 1 . 2]" 1
48 1 13 ASN H 1 13 ASN QB 3.200 . 4.200 2.217 2.047 2.511 . 0 0 "[ . 1 . 2]" 1
49 1 13 ASN H 1 14 GLY HA3 4.000 . 5.000 5.021 4.998 5.049 0.049 4 0 "[ . 1 . 2]" 1
50 1 13 ASN H 1 16 LEU QD 4.300 . 5.300 5.267 5.110 5.316 0.016 2 0 "[ . 1 . 2]" 1
51 1 13 ASN H 1 14 GLY H 3.300 . 4.300 2.745 2.707 2.800 . 0 0 "[ . 1 . 2]" 1
52 1 13 ASN H 1 16 LEU H 4.300 . 5.300 4.881 4.815 4.950 . 0 0 "[ . 1 . 2]" 1
53 1 13 ASN H 1 15 CYS H 3.700 . 4.700 4.299 4.137 4.566 . 0 0 "[ . 1 . 2]" 1
54 1 12 LYS QG 1 13 ASN H 3.200 . 4.200 3.275 1.976 4.188 . 0 0 "[ . 1 . 2]" 1
55 1 13 ASN HA 1 13 ASN QD 3.500 . 4.500 3.194 2.044 4.075 . 0 0 "[ . 1 . 2]" 1
56 1 13 ASN QD 1 14 GLY HA2 3.500 . 4.500 3.873 2.979 4.531 0.031 17 0 "[ . 1 . 2]" 1
57 1 13 ASN HA 1 107 ALA MB 5.500 . 6.500 6.536 6.511 6.557 0.057 11 0 "[ . 1 . 2]" 1
58 1 13 ASN HA 1 16 LEU QD 5.500 . 6.500 3.156 3.038 3.377 . 0 0 "[ . 1 . 2]" 1
59 1 13 ASN QB 1 14 GLY H 3.200 . 4.200 2.815 2.445 3.486 . 0 0 "[ . 1 . 2]" 1
60 1 11 ASN HB2 1 14 GLY H 3.500 . 4.500 4.350 3.492 4.535 0.035 5 0 "[ . 1 . 2]" 1
61 1 11 ASN HA 1 14 GLY H 4.100 . 5.100 4.243 4.061 4.523 . 0 0 "[ . 1 . 2]" 1
62 1 14 GLY H 1 16 LEU H 3.700 . 4.700 4.221 4.070 4.365 . 0 0 "[ . 1 . 2]" 1
63 1 14 GLY HA2 1 15 CYS H 3.200 . 4.200 3.537 3.523 3.559 . 0 0 "[ . 1 . 2]" 1
64 1 14 GLY HA3 1 15 CYS H 3.200 . 4.200 2.823 2.720 2.876 . 0 0 "[ . 1 . 2]" 1
65 1 14 GLY H 1 15 CYS H 3.200 . 4.200 2.708 2.616 2.779 . 0 0 "[ . 1 . 2]" 1
66 1 15 CYS H 1 15 CYS HB2 3.000 . 4.000 2.461 2.084 2.654 . 0 0 "[ . 1 . 2]" 1
67 1 15 CYS H 1 15 CYS HB3 3.400 . 4.400 2.986 2.425 3.598 . 0 0 "[ . 1 . 2]" 1
68 1 15 CYS H 1 16 LEU HB3 4.000 . 5.000 4.715 4.568 5.005 0.005 16 0 "[ . 1 . 2]" 1
69 1 15 CYS H 1 18 PHE H 4.000 . 5.000 4.609 4.527 4.680 . 0 0 "[ . 1 . 2]" 1
70 1 15 CYS HA 1 60 ILE MG 5.500 . 6.500 5.919 4.431 6.535 0.035 18 0 "[ . 1 . 2]" 1
71 1 15 CYS HB2 1 60 ILE MD 5.500 . 6.500 4.162 1.954 5.777 . 0 0 "[ . 1 . 2]" 1
72 1 16 LEU H 1 16 LEU HA 2.800 . 3.800 2.811 2.791 2.828 . 0 0 "[ . 1 . 2]" 1
73 1 16 LEU H 1 16 LEU HB3 3.000 . 4.000 2.431 2.280 2.692 . 0 0 "[ . 1 . 2]" 1
74 1 16 LEU H 1 16 LEU QD 3.000 . 4.000 3.659 3.567 3.706 . 0 0 "[ . 1 . 2]" 1
75 1 15 CYS HB2 1 16 LEU H 3.000 . 4.000 3.342 2.453 3.940 . 0 0 "[ . 1 . 2]" 1
76 1 15 CYS H 1 16 LEU H 2.800 . 3.800 2.607 2.564 2.662 . 0 0 "[ . 1 . 2]" 1
77 1 16 LEU H 1 17 VAL QG 3.300 . 4.300 3.818 3.499 4.271 . 0 0 "[ . 1 . 2]" 1
78 1 16 LEU HA 1 17 VAL H 3.300 . 4.300 3.550 3.534 3.555 . 0 0 "[ . 1 . 2]" 1
79 1 16 LEU HB2 1 17 VAL H 3.200 . 4.200 3.860 3.652 4.019 . 0 0 "[ . 1 . 2]" 1
80 1 16 LEU HB3 1 17 VAL H 3.300 . 4.300 2.517 2.423 2.697 . 0 0 "[ . 1 . 2]" 1
81 1 17 VAL H 1 18 PHE H 3.100 . 4.100 2.579 2.558 2.608 . 0 0 "[ . 1 . 2]" 1
82 1 13 ASN HA 1 17 VAL H 3.500 . 4.500 3.971 3.822 4.106 . 0 0 "[ . 1 . 2]" 1
83 1 14 GLY HA3 1 17 VAL H 4.500 . 5.500 4.898 4.800 4.958 . 0 0 "[ . 1 . 2]" 1
84 1 14 GLY H 1 17 VAL H 4.100 . 5.100 4.835 4.743 4.937 . 0 0 "[ . 1 . 2]" 1
85 1 17 VAL H 1 17 VAL HA 3.000 . 4.000 2.835 2.829 2.842 . 0 0 "[ . 1 . 2]" 1
86 1 17 VAL H 1 17 VAL HB 3.000 . 4.000 2.893 2.441 3.621 . 0 0 "[ . 1 . 2]" 1
87 1 17 VAL H 1 17 VAL QG 3.000 . 4.000 2.033 1.832 2.242 . 0 0 "[ . 1 . 2]" 1
88 1 16 LEU H 1 17 VAL H 3.300 . 4.300 2.713 2.666 2.778 . 0 0 "[ . 1 . 2]" 1
89 1 14 GLY HA2 1 17 VAL QG 3.500 . 4.500 2.312 1.890 3.423 . 0 0 "[ . 1 . 2]" 1
90 1 13 ASN HA 1 17 VAL QG 4.500 . 5.500 3.910 3.468 4.397 . 0 0 "[ . 1 . 2]" 1
91 1 17 VAL QG 1 103 TYR HA 5.500 . 6.500 4.083 2.259 5.140 . 0 0 "[ . 1 . 2]" 1
92 1 17 VAL HA 1 18 PHE H 3.000 . 4.000 3.517 3.510 3.525 . 0 0 "[ . 1 . 2]" 1
93 1 17 VAL HB 1 18 PHE H 3.300 . 4.300 3.562 2.693 3.957 . 0 0 "[ . 1 . 2]" 1
94 1 17 VAL QG 1 18 PHE H 3.300 . 4.300 2.390 2.086 3.288 . 0 0 "[ . 1 . 2]" 1
95 1 16 LEU HB3 1 18 PHE H 4.300 . 5.300 4.864 4.783 5.031 . 0 0 "[ . 1 . 2]" 1
96 1 18 PHE H 1 19 VAL H 3.800 . 4.800 2.819 2.695 2.962 . 0 0 "[ . 1 . 2]" 1
97 1 15 CYS HA 1 18 PHE QB 3.500 . 4.500 2.499 2.374 2.657 . 0 0 "[ . 1 . 2]" 1
98 1 18 PHE HA 1 78 MET QB 5.500 . 6.500 6.523 6.502 6.543 0.043 16 0 "[ . 1 . 2]" 1
99 1 19 VAL H 1 19 VAL QG 3.300 . 4.300 2.022 1.813 2.256 . 0 0 "[ . 1 . 2]" 1
100 1 20 SER H 1 20 SER QB 3.500 . 4.500 2.251 2.126 2.345 . 0 0 "[ . 1 . 2]" 1
101 1 17 VAL HA 1 20 SER H 4.000 . 5.000 3.620 3.474 3.743 . 0 0 "[ . 1 . 2]" 1
102 1 18 PHE HA 1 20 SER H 3.700 . 4.700 4.575 4.432 4.735 0.035 19 0 "[ . 1 . 2]" 1
103 1 18 PHE H 1 20 SER H 3.500 . 4.500 4.018 3.901 4.212 . 0 0 "[ . 1 . 2]" 1
104 1 20 SER H 1 22 LEU QD 3.700 . 4.700 4.741 4.615 4.790 0.090 8 0 "[ . 1 . 2]" 1
105 1 19 VAL HB 1 20 SER H 3.500 . 4.500 3.301 2.450 3.972 . 0 0 "[ . 1 . 2]" 1
106 1 21 ARG H 1 21 ARG HB2 3.500 . 4.500 2.336 2.083 3.580 . 0 0 "[ . 1 . 2]" 1
107 1 21 ARG H 1 21 ARG HB3 3.500 . 4.500 3.375 2.393 3.593 . 0 0 "[ . 1 . 2]" 1
108 1 20 SER QB 1 21 ARG H 3.500 . 4.500 2.504 2.389 2.595 . 0 0 "[ . 1 . 2]" 1
109 1 20 SER H 1 21 ARG H 3.500 . 4.500 2.788 2.745 2.824 . 0 0 "[ . 1 . 2]" 1
110 1 21 ARG H 1 23 TRP H 3.500 . 4.500 4.261 4.117 4.359 . 0 0 "[ . 1 . 2]" 1
111 1 21 ARG HE 1 106 LEU HB3 5.500 . 6.500 4.876 3.292 6.443 . 0 0 "[ . 1 . 2]" 1
112 1 22 LEU H 1 22 LEU HB3 3.200 . 4.200 2.748 2.155 3.564 . 0 0 "[ . 1 . 2]" 1
113 1 22 LEU H 1 22 LEU QD 3.300 . 4.300 3.128 2.229 3.398 . 0 0 "[ . 1 . 2]" 1
114 1 23 TRP H 1 23 TRP HA 2.800 . 3.800 2.801 2.772 2.828 . 0 0 "[ . 1 . 2]" 1
115 1 23 TRP H 1 23 TRP QB 3.000 . 4.000 2.242 2.045 2.396 . 0 0 "[ . 1 . 2]" 1
116 1 22 LEU HB2 1 23 TRP H 3.200 . 4.200 3.481 2.566 4.139 . 0 0 "[ . 1 . 2]" 1
117 1 22 LEU QD 1 23 TRP H 3.500 . 4.500 3.115 2.341 4.072 . 0 0 "[ . 1 . 2]" 1
118 1 23 TRP H 1 24 ASP H 3.000 . 4.000 2.680 2.597 2.772 . 0 0 "[ . 1 . 2]" 1
119 1 23 TRP H 1 24 ASP QB 3.500 . 4.500 4.425 4.301 4.504 0.004 4 0 "[ . 1 . 2]" 1
120 1 23 TRP H 1 25 LEU QB 4.700 . 5.700 5.236 4.580 5.743 0.043 15 0 "[ . 1 . 2]" 1
121 1 22 LEU HB3 1 23 TRP H 3.400 . 4.400 2.949 2.734 3.524 . 0 0 "[ . 1 . 2]" 1
122 1 23 TRP H 1 26 ASP H 4.200 . 5.200 4.802 4.639 5.018 . 0 0 "[ . 1 . 2]" 1
123 1 22 LEU H 1 23 TRP H 3.000 . 4.000 2.741 2.684 2.769 . 0 0 "[ . 1 . 2]" 1
124 1 23 TRP HE1 1 32 HIS HB2 5.500 . 6.500 6.269 5.469 6.523 0.023 4 0 "[ . 1 . 2]" 1
125 1 23 TRP HE1 1 32 HIS HB3 5.500 . 6.500 5.567 4.972 6.513 0.013 11 0 "[ . 1 . 2]" 1
126 1 24 ASP H 1 24 ASP HA 2.800 . 3.800 2.843 2.823 2.890 . 0 0 "[ . 1 . 2]" 1
127 1 24 ASP H 1 24 ASP QB 2.500 . 3.500 2.119 2.057 2.216 . 0 0 "[ . 1 . 2]" 1
128 1 22 LEU HB2 1 24 ASP H 4.800 2.800 5.800 5.495 5.033 5.877 0.077 15 0 "[ . 1 . 2]" 1
129 1 23 TRP HA 1 24 ASP H 2.800 . 3.800 3.519 3.514 3.538 . 0 0 "[ . 1 . 2]" 1
130 1 23 TRP QB 1 24 ASP H 2.800 . 3.800 2.725 2.633 2.775 . 0 0 "[ . 1 . 2]" 1
131 1 24 ASP H 1 25 LEU QB 3.500 . 4.500 4.392 4.004 4.600 0.100 15 0 "[ . 1 . 2]" 1
132 1 24 ASP H 1 26 ASP H 3.300 . 4.300 3.943 3.712 4.326 0.026 14 0 "[ . 1 . 2]" 1
133 1 25 LEU H 1 25 LEU QB 2.600 . 3.600 2.162 2.030 2.229 . 0 0 "[ . 1 . 2]" 1
134 1 25 LEU H 1 25 LEU MD2 3.000 . 4.000 3.761 2.739 4.115 0.115 17 0 "[ . 1 . 2]" 1
135 1 24 ASP QB 1 25 LEU H 3.000 . 4.000 2.498 2.222 3.091 . 0 0 "[ . 1 . 2]" 1
136 1 25 LEU H 1 25 LEU HA 3.000 . 4.000 2.795 2.788 2.858 . 0 0 "[ . 1 . 2]" 1
137 1 25 LEU H 1 26 ASP H 3.000 . 4.000 2.704 2.563 2.827 . 0 0 "[ . 1 . 2]" 1
138 1 26 ASP H 1 26 ASP HA 3.000 . 4.000 2.863 2.855 2.928 . 0 0 "[ . 1 . 2]" 1
139 1 26 ASP H 1 26 ASP QB 3.100 . 4.100 2.375 2.201 2.822 . 0 0 "[ . 1 . 2]" 1
140 1 23 TRP QB 1 26 ASP H 4.400 . 5.400 5.002 4.839 5.272 . 0 0 "[ . 1 . 2]" 1
141 1 24 ASP HA 1 26 ASP H 3.700 . 4.700 4.276 4.004 4.732 0.032 1 0 "[ . 1 . 2]" 1
142 1 25 LEU HA 1 26 ASP H 3.100 . 4.100 3.506 3.458 3.562 . 0 0 "[ . 1 . 2]" 1
143 1 25 LEU QB 1 26 ASP H 2.900 . 3.900 2.883 2.413 3.511 . 0 0 "[ . 1 . 2]" 1
144 1 25 LEU MD1 1 26 ASP H 3.300 . 4.300 3.771 3.160 4.406 0.106 1 0 "[ . 1 . 2]" 1
145 1 25 LEU MD2 1 26 ASP H 3.400 . 4.400 4.088 2.358 4.455 0.055 16 0 "[ . 1 . 2]" 1
146 1 27 LYS H 1 27 LYS HA 3.000 . 4.000 2.820 2.763 2.909 . 0 0 "[ . 1 . 2]" 1
147 1 26 ASP HA 1 27 LYS H 3.000 . 4.000 2.308 2.141 2.387 . 0 0 "[ . 1 . 2]" 1
148 1 26 ASP H 1 27 LYS H 3.700 . 4.700 4.012 3.888 4.197 . 0 0 "[ . 1 . 2]" 1
149 1 27 LYS H 1 28 LEU MD2 5.000 . 6.000 5.634 4.321 6.194 0.194 15 0 "[ . 1 . 2]" 1
150 1 27 LYS H 1 27 LYS QB 3.200 . 4.200 2.148 2.043 2.342 . 0 0 "[ . 1 . 2]" 1
151 1 27 LYS H 1 95 GLU HG3 5.500 . 6.500 6.508 6.416 6.539 0.039 19 0 "[ . 1 . 2]" 1
152 1 28 LEU QB 1 28 LEU MD2 3.000 . 4.000 2.042 1.916 2.403 . 0 0 "[ . 1 . 2]" 1
153 1 28 LEU HA 1 29 GLY H 3.000 . 4.000 3.452 2.879 3.497 . 0 0 "[ . 1 . 2]" 1
154 1 28 LEU QB 1 29 GLY H 3.000 . 4.000 3.066 2.802 3.794 . 0 0 "[ . 1 . 2]" 1
155 1 28 LEU MD2 1 29 GLY H 3.100 . 4.100 3.742 2.840 4.117 0.017 17 0 "[ . 1 . 2]" 1
156 1 27 LYS H 1 29 GLY H 3.200 . 4.200 4.178 3.702 4.247 0.047 19 0 "[ . 1 . 2]" 1
157 1 26 ASP HA 1 29 GLY H 3.200 . 4.200 4.203 4.028 4.280 0.080 4 0 "[ . 1 . 2]" 1
158 1 29 GLY H 1 30 MET H 3.200 . 4.200 3.256 2.508 4.097 . 0 0 "[ . 1 . 2]" 1
159 1 31 PHE H 1 31 PHE HA 2.800 . 3.800 2.941 2.916 2.947 . 0 0 "[ . 1 . 2]" 1
160 1 31 PHE H 1 31 PHE HB3 2.700 . 3.700 2.832 2.493 3.338 . 0 0 "[ . 1 . 2]" 1
161 1 28 LEU MD2 1 31 PHE H 3.000 . 4.000 3.253 2.802 3.950 . 0 0 "[ . 1 . 2]" 1
162 1 29 GLY H 1 31 PHE H 3.600 . 4.600 4.103 3.476 4.641 0.041 6 0 "[ . 1 . 2]" 1
163 1 30 MET HA 1 31 PHE H 3.300 . 4.300 2.572 2.208 2.974 . 0 0 "[ . 1 . 2]" 1
164 1 30 MET QB 1 31 PHE H 3.300 . 4.300 3.891 3.738 4.046 . 0 0 "[ . 1 . 2]" 1
165 1 30 MET H 1 31 PHE H 2.800 . 3.800 3.088 2.044 3.868 0.068 14 0 "[ . 1 . 2]" 1
166 1 31 PHE H 1 32 HIS H 3.300 . 4.300 4.327 4.222 4.413 0.113 15 0 "[ . 1 . 2]" 1
167 1 32 HIS H 1 32 HIS HA 3.000 . 4.000 2.786 2.276 2.855 . 0 0 "[ . 1 . 2]" 1
168 1 32 HIS H 1 32 HIS HB2 2.900 . 3.900 3.845 3.152 4.006 0.106 20 0 "[ . 1 . 2]" 1
169 1 32 HIS H 1 32 HIS HB3 3.100 . 4.100 3.658 3.234 4.028 . 0 0 "[ . 1 . 2]" 1
170 1 28 LEU MD2 1 32 HIS H 3.400 . 4.400 4.434 4.372 4.491 0.091 4 0 "[ . 1 . 2]" 1
171 1 31 PHE HA 1 32 HIS H 3.300 . 4.300 2.165 2.138 2.647 . 0 0 "[ . 1 . 2]" 1
172 1 32 HIS H 1 33 HIS H 3.300 . 4.300 2.518 2.029 2.872 . 0 0 "[ . 1 . 2]" 1
173 1 32 HIS H 1 51 VAL QG 4.900 . 5.900 5.783 5.024 5.934 0.034 20 0 "[ . 1 . 2]" 1
174 1 32 HIS HA 1 33 HIS H 3.100 . 4.100 2.611 2.428 3.124 . 0 0 "[ . 1 . 2]" 1
175 1 32 HIS HB2 1 33 HIS H 4.100 . 5.100 4.374 4.079 4.661 . 0 0 "[ . 1 . 2]" 1
176 1 32 HIS HB3 1 33 HIS H 3.700 . 4.700 4.567 3.984 4.663 . 0 0 "[ . 1 . 2]" 1
177 1 33 HIS H 1 34 PRO HA 3.800 . 4.800 4.950 4.920 4.975 0.175 5 0 "[ . 1 . 2]" 1
178 1 33 HIS H 1 53 LEU HA 5.500 . 6.500 6.530 6.508 6.554 0.054 3 0 "[ . 1 . 2]" 1
179 1 34 PRO HA 1 34 PRO QG 3.000 . 4.000 3.503 3.502 3.504 . 0 0 "[ . 1 . 2]" 1
180 1 35 VAL H 1 35 VAL HA 3.000 . 4.000 2.853 2.847 2.875 . 0 0 "[ . 1 . 2]" 1
181 1 35 VAL H 1 35 VAL HB 3.100 . 4.100 2.966 2.501 3.625 . 0 0 "[ . 1 . 2]" 1
182 1 34 PRO HA 1 35 VAL H 2.600 . 3.600 2.225 2.152 2.234 . 0 0 "[ . 1 . 2]" 1
183 1 34 PRO HB2 1 35 VAL H 3.000 . 4.000 3.151 3.104 3.664 . 0 0 "[ . 1 . 2]" 1
184 1 34 PRO HB3 1 35 VAL H 3.200 . 4.200 3.756 3.726 4.091 . 0 0 "[ . 1 . 2]" 1
185 1 35 VAL H 1 36 SER H 3.700 . 4.700 4.609 4.544 4.616 . 0 0 "[ . 1 . 2]" 1
186 1 34 PRO QG 1 35 VAL H 3.700 . 4.700 4.486 4.464 4.703 0.003 4 0 "[ . 1 . 2]" 1
187 1 35 VAL HA 1 36 SER H 3.000 . 4.000 2.229 2.154 2.237 . 0 0 "[ . 1 . 2]" 1
188 1 35 VAL QG 1 36 SER H 3.200 . 4.200 2.560 1.973 3.382 . 0 0 "[ . 1 . 2]" 1
189 1 36 SER H 1 39 GLU QB 5.500 . 6.500 3.970 3.721 4.327 . 0 0 "[ . 1 . 2]" 1
190 1 36 SER H 1 38 GLU QG 5.200 . 6.200 4.737 4.106 6.203 0.003 20 0 "[ . 1 . 2]" 1
191 1 36 SER HA 1 37 ALA H 2.900 . 3.900 2.195 2.144 2.211 . 0 0 "[ . 1 . 2]" 1
192 1 36 SER HB3 1 37 ALA H 3.200 . 4.200 3.497 2.986 4.084 . 0 0 "[ . 1 . 2]" 1
193 1 37 ALA H 1 37 ALA MB 3.000 . 4.000 2.115 2.076 2.154 . 0 0 "[ . 1 . 2]" 1
194 1 37 ALA H 1 38 GLU QB 3.800 . 4.800 4.785 4.680 4.816 0.016 7 0 "[ . 1 . 2]" 1
195 1 37 ALA H 1 38 GLU QG 3.800 . 4.800 3.935 3.787 4.109 . 0 0 "[ . 1 . 2]" 1
196 1 37 ALA H 1 38 GLU H 3.600 . 4.200 2.643 2.590 2.723 . 0 0 "[ . 1 . 2]" 1
197 1 37 ALA H 1 39 GLU H 3.600 . 4.500 4.380 4.326 4.456 . 0 0 "[ . 1 . 2]" 1
198 1 36 SER H 1 37 ALA H 3.800 . 4.800 4.575 4.500 4.592 . 0 0 "[ . 1 . 2]" 1
199 1 38 GLU H 1 38 GLU HA 3.000 . 4.000 2.757 2.755 2.764 . 0 0 "[ . 1 . 2]" 1
200 1 38 GLU H 1 38 GLU QB 3.100 . 4.100 2.491 2.428 2.644 . 0 0 "[ . 1 . 2]" 1
201 1 38 GLU H 1 38 GLU QG 3.300 . 4.300 2.157 2.013 2.255 . 0 0 "[ . 1 . 2]" 1
202 1 37 ALA MB 1 38 GLU H 3.200 . 4.200 2.747 2.698 2.883 . 0 0 "[ . 1 . 2]" 1
203 1 38 GLU H 1 39 GLU H 3.200 . 3.400 2.810 2.796 2.831 . 0 0 "[ . 1 . 2]" 1
204 1 38 GLU HA 1 39 GLU H 3.000 . 4.000 3.529 3.523 3.540 . 0 0 "[ . 1 . 2]" 1
205 1 38 GLU QB 1 39 GLU H 2.600 . 3.600 3.279 2.519 3.430 . 0 0 "[ . 1 . 2]" 1
206 1 38 GLU QG 1 39 GLU H 2.800 . 3.800 2.291 1.943 3.822 0.022 20 0 "[ . 1 . 2]" 1
207 1 37 ALA MB 1 39 GLU H 3.500 . 4.500 4.534 4.505 4.584 0.084 1 0 "[ . 1 . 2]" 1
208 1 39 GLU H 1 40 LEU H 2.800 . 3.800 2.248 2.211 2.402 . 0 0 "[ . 1 . 2]" 1
209 1 39 GLU QB 1 40 LEU H 3.000 . 4.000 2.745 2.314 2.913 . 0 0 "[ . 1 . 2]" 1
210 1 39 GLU QG 1 40 LEU H 3.400 . 4.400 4.145 3.805 4.401 0.001 19 0 "[ . 1 . 2]" 1
211 1 36 SER H 1 40 LEU H 3.900 . 4.900 4.859 4.565 4.913 0.013 11 0 "[ . 1 . 2]" 1
212 1 41 PRO HA 1 41 PRO HB3 3.000 . 4.000 2.298 2.297 2.298 . 0 0 "[ . 1 . 2]" 1
213 1 41 PRO HB2 1 42 ASP HB3 3.200 . 4.200 4.227 4.170 4.277 0.077 9 0 "[ . 1 . 2]" 1
214 1 41 PRO HA 1 42 ASP H 3.100 . 4.100 3.443 3.439 3.472 . 0 0 "[ . 1 . 2]" 1
215 1 41 PRO HB2 1 42 ASP H 3.100 . 4.100 3.649 3.555 3.661 . 0 0 "[ . 1 . 2]" 1
216 1 41 PRO HB3 1 42 ASP H 3.700 . 4.700 4.323 4.269 4.330 . 0 0 "[ . 1 . 2]" 1
217 1 40 LEU H 1 42 ASP H 4.300 . 5.300 5.232 5.164 5.306 0.006 12 0 "[ . 1 . 2]" 1
218 1 42 ASP H 1 42 ASP HB3 3.100 . 4.100 2.779 2.697 2.958 . 0 0 "[ . 1 . 2]" 1
219 1 42 ASP H 1 43 TYR H 3.100 . 3.800 2.436 2.304 2.487 . 0 0 "[ . 1 . 2]" 1
220 1 42 ASP H 1 44 HIS H 3.800 . 4.800 4.808 4.727 4.846 0.046 5 0 "[ . 1 . 2]" 1
221 1 42 ASP H 1 46 VAL QG 3.500 . 4.500 4.035 3.737 4.285 . 0 0 "[ . 1 . 2]" 1
222 1 42 ASP H 1 43 TYR HA 3.500 . 4.500 4.396 4.323 4.458 . 0 0 "[ . 1 . 2]" 1
223 1 43 TYR H 1 43 TYR HA 3.000 . 4.000 2.768 2.756 2.801 . 0 0 "[ . 1 . 2]" 1
224 1 42 ASP HA 1 43 TYR H 3.100 . 4.100 3.052 3.007 3.145 . 0 0 "[ . 1 . 2]" 1
225 1 43 TYR H 1 44 HIS H 3.300 . 4.300 2.755 2.667 2.828 . 0 0 "[ . 1 . 2]" 1
226 1 43 TYR H 1 45 THR H 3.500 . 4.500 4.285 4.123 4.441 . 0 0 "[ . 1 . 2]" 1
227 1 43 TYR H 1 44 HIS HB2 3.800 . 4.800 4.663 4.506 4.801 0.001 4 0 "[ . 1 . 2]" 1
228 1 43 TYR H 1 43 TYR QB 2.600 . 3.600 2.292 2.099 2.329 . 0 0 "[ . 1 . 2]" 1
229 1 43 TYR H 1 46 VAL HB 3.800 . 4.800 4.800 4.546 4.875 0.075 5 0 "[ . 1 . 2]" 1
230 1 43 TYR H 1 46 VAL QG 3.700 . 4.700 3.914 3.638 4.474 . 0 0 "[ . 1 . 2]" 1
231 1 43 TYR HA 1 44 HIS H 3.000 . 4.000 3.507 3.497 3.544 . 0 0 "[ . 1 . 2]" 1
232 1 44 HIS H 1 44 HIS HB2 3.000 . 4.000 2.142 2.072 2.302 . 0 0 "[ . 1 . 2]" 1
233 1 44 HIS H 1 45 THR H 3.000 . 4.000 2.642 2.551 2.781 . 0 0 "[ . 1 . 2]" 1
234 1 44 HIS HA 1 45 THR H 3.000 . 4.000 3.518 3.495 3.540 . 0 0 "[ . 1 . 2]" 1
235 1 44 HIS HB2 1 45 THR H 3.400 . 4.400 3.446 2.970 3.745 . 0 0 "[ . 1 . 2]" 1
236 1 44 HIS HB3 1 45 THR H 3.300 . 4.300 2.881 2.636 3.212 . 0 0 "[ . 1 . 2]" 1
237 1 45 THR H 1 45 THR MG 3.500 . 4.500 3.457 2.079 3.790 . 0 0 "[ . 1 . 2]" 1
238 1 45 THR H 1 48 LYS HA 4.200 . 5.200 4.993 4.713 5.281 0.081 4 0 "[ . 1 . 2]" 1
239 1 45 THR H 1 46 VAL H 3.300 . 4.300 2.352 2.294 2.398 . 0 0 "[ . 1 . 2]" 1
240 1 42 ASP HA 1 45 THR H 3.300 . 4.300 3.339 3.184 3.563 . 0 0 "[ . 1 . 2]" 1
241 1 46 VAL H 1 46 VAL HA 3.000 . 4.000 2.899 2.840 2.926 . 0 0 "[ . 1 . 2]" 1
242 1 46 VAL H 1 46 VAL QG 3.500 . 4.500 2.417 2.091 2.527 . 0 0 "[ . 1 . 2]" 1
243 1 46 VAL HB 1 84 GLU HG2 4.500 . 5.500 5.149 4.619 5.537 0.037 13 0 "[ . 1 . 2]" 1
244 1 46 VAL QG 1 84 GLU HA 5.500 . 6.500 4.707 3.089 5.379 . 0 0 "[ . 1 . 2]" 1
245 1 46 VAL QG 1 85 TYR HB3 4.500 . 5.500 4.564 2.524 5.381 . 0 0 "[ . 1 . 2]" 1
246 1 46 VAL QG 1 85 TYR HB2 4.500 . 5.500 3.344 1.947 4.257 . 0 0 "[ . 1 . 2]" 1
247 1 46 VAL HA 1 47 ILE H 3.000 . 4.000 3.559 3.453 3.566 . 0 0 "[ . 1 . 2]" 1
248 1 46 VAL HB 1 47 ILE H 3.000 . 4.000 2.390 2.333 3.028 . 0 0 "[ . 1 . 2]" 1
249 1 46 VAL QG 1 47 ILE H 2.900 . 3.900 3.066 3.005 3.433 . 0 0 "[ . 1 . 2]" 1
250 1 44 HIS HA 1 47 ILE H 3.500 . 4.500 4.011 3.582 4.303 . 0 0 "[ . 1 . 2]" 1
251 1 47 ILE H 1 48 LYS HA 3.500 . 4.500 4.204 4.057 4.530 0.030 8 0 "[ . 1 . 2]" 1
252 1 45 THR H 1 47 ILE H 3.600 . 4.600 4.296 3.918 4.467 . 0 0 "[ . 1 . 2]" 1
253 1 46 VAL H 1 47 ILE H 2.900 . 3.900 2.467 2.165 2.694 . 0 0 "[ . 1 . 2]" 1
254 1 47 ILE H 1 47 ILE MG 2.900 . 3.900 3.084 1.936 3.889 . 0 0 "[ . 1 . 2]" 1
255 1 47 ILE H 1 47 ILE HB 3.000 . 4.000 3.399 2.621 3.756 . 0 0 "[ . 1 . 2]" 1
256 1 43 TYR QB 1 47 ILE H 4.100 . 5.100 4.229 3.990 4.795 . 0 0 "[ . 1 . 2]" 1
257 1 47 ILE H 1 85 TYR HB2 5.200 . 6.200 5.767 4.732 6.258 0.058 18 0 "[ . 1 . 2]" 1
258 1 48 LYS H 1 48 LYS HA 3.000 . 4.000 2.357 2.274 2.817 . 0 0 "[ . 1 . 2]" 1
259 1 48 LYS H 1 48 LYS QG 3.000 . 4.000 3.613 2.035 4.038 0.038 15 0 "[ . 1 . 2]" 1
260 1 47 ILE HA 1 48 LYS H 2.700 . 3.700 3.330 2.276 3.564 . 0 0 "[ . 1 . 2]" 1
261 1 47 ILE MD 1 48 LYS H 3.200 . 4.200 3.973 2.776 4.330 0.130 9 0 "[ . 1 . 2]" 1
262 1 48 LYS H 1 49 ARG H 3.300 . 4.300 3.242 2.591 3.795 . 0 0 "[ . 1 . 2]" 1
263 1 47 ILE MG 1 48 LYS H 3.100 . 4.100 3.710 1.989 4.173 0.073 5 0 "[ . 1 . 2]" 1
264 1 48 LYS H 1 48 LYS HB3 3.200 . 4.200 3.749 2.498 4.044 . 0 0 "[ . 1 . 2]" 1
265 1 48 LYS H 1 48 LYS QE 1.800 . 4.800 4.553 3.782 4.846 0.046 18 0 "[ . 1 . 2]" 1
266 1 46 VAL H 1 48 LYS H 4.200 . 5.200 3.731 3.167 5.258 0.058 5 0 "[ . 1 . 2]" 1
267 1 48 LYS HA 1 49 ARG H 3.500 . 4.500 3.446 3.099 3.572 . 0 0 "[ . 1 . 2]" 1
268 1 48 LYS HB2 1 49 ARG H 3.700 . 4.700 3.429 1.931 4.322 . 0 0 "[ . 1 . 2]" 1
269 1 49 ARG H 1 49 ARG QB 3.700 . 4.700 2.389 2.085 2.625 . 0 0 "[ . 1 . 2]" 1
270 1 47 ILE MD 1 49 ARG H 3.800 . 4.800 3.964 1.898 4.651 0.002 5 0 "[ . 1 . 2]" 1
271 1 51 VAL H 1 51 VAL HB 3.000 . 4.000 3.255 3.068 3.873 . 0 0 "[ . 1 . 2]" 1
272 1 51 VAL H 1 51 VAL QG 3.500 . 4.500 2.051 1.905 2.211 . 0 0 "[ . 1 . 2]" 1
273 1 47 ILE MD 1 51 VAL H 4.500 . 5.500 4.597 3.436 5.585 0.085 20 0 "[ . 1 . 2]" 1
274 1 50 PRO HA 1 51 VAL H 3.500 . 4.500 2.423 2.152 2.661 . 0 0 "[ . 1 . 2]" 1
275 1 51 VAL H 1 52 ASP HA 3.900 . 4.900 4.912 4.790 5.053 0.153 20 0 "[ . 1 . 2]" 1
276 1 51 VAL H 1 52 ASP H 4.200 . 5.200 4.317 4.193 4.419 . 0 0 "[ . 1 . 2]" 1
277 1 34 PRO QG 1 51 VAL H 4.500 . 5.500 5.477 5.107 5.533 0.033 15 0 "[ . 1 . 2]" 1
278 1 51 VAL HB 1 78 MET HB3 5.500 . 6.500 4.916 3.907 6.534 0.034 9 0 "[ . 1 . 2]" 1
279 1 51 VAL HB 1 78 MET HA 5.500 . 6.500 4.420 3.647 5.743 . 0 0 "[ . 1 . 2]" 1
280 1 52 ASP H 1 52 ASP HA 3.000 . 4.000 2.930 2.914 2.946 . 0 0 "[ . 1 . 2]" 1
281 1 52 ASP H 1 52 ASP HB2 3.500 . 4.500 3.327 2.910 3.809 . 0 0 "[ . 1 . 2]" 1
282 1 52 ASP H 1 52 ASP HB3 3.500 . 4.500 3.280 2.641 3.956 . 0 0 "[ . 1 . 2]" 1
283 1 51 VAL HA 1 52 ASP H 3.700 . 4.700 2.169 2.153 2.230 . 0 0 "[ . 1 . 2]" 1
284 1 51 VAL HB 1 52 ASP H 3.600 . 4.600 4.090 3.019 4.193 . 0 0 "[ . 1 . 2]" 1
285 1 51 VAL QG 1 52 ASP H 3.200 . 4.200 2.439 2.155 3.432 . 0 0 "[ . 1 . 2]" 1
286 1 52 ASP H 1 55 SER QB 3.200 . 4.200 2.715 1.975 3.387 . 0 0 "[ . 1 . 2]" 1
287 1 52 ASP H 1 53 LEU H 1.800 . 5.400 4.421 4.387 4.465 . 0 0 "[ . 1 . 2]" 1
288 1 52 ASP H 1 56 ILE MD 5.500 . 6.500 3.773 2.513 6.208 . 0 0 "[ . 1 . 2]" 1
289 1 52 ASP HA 1 53 LEU H 3.500 . 4.500 2.324 2.313 2.379 . 0 0 "[ . 1 . 2]" 1
290 1 52 ASP HB2 1 53 LEU H 3.500 . 4.500 3.430 2.634 4.053 . 0 0 "[ . 1 . 2]" 1
291 1 52 ASP HB3 1 53 LEU H 3.400 . 4.400 3.459 2.576 3.878 . 0 0 "[ . 1 . 2]" 1
292 1 51 VAL HA 1 53 LEU H 5.400 . 6.400 6.335 6.317 6.388 . 0 0 "[ . 1 . 2]" 1
293 1 51 VAL QG 1 53 LEU H 5.500 . 6.500 4.541 4.385 5.193 . 0 0 "[ . 1 . 2]" 1
294 1 53 LEU H 1 56 ILE H 5.500 . 6.500 4.922 4.687 5.156 . 0 0 "[ . 1 . 2]" 1
295 1 53 LEU H 1 56 ILE MD 5.500 . 6.500 5.160 4.300 6.524 0.024 11 0 "[ . 1 . 2]" 1
296 1 53 LEU H 1 54 SER H 1.800 . 4.800 2.603 2.488 2.812 . 0 0 "[ . 1 . 2]" 1
297 1 32 HIS HA 1 53 LEU H 5.100 . 6.100 5.084 4.514 5.821 . 0 0 "[ . 1 . 2]" 1
298 1 55 SER HA 1 56 ILE H 3.300 . 4.300 3.550 3.510 3.559 . 0 0 "[ . 1 . 2]" 1
299 1 55 SER QB 1 56 ILE H 3.500 . 4.500 2.578 2.362 3.265 . 0 0 "[ . 1 . 2]" 1
300 1 56 ILE H 1 57 ARG HB3 4.600 . 5.600 4.844 4.704 4.984 . 0 0 "[ . 1 . 2]" 1
301 1 56 ILE H 1 58 ASP HB3 4.400 . 5.400 5.302 5.107 5.407 0.007 17 0 "[ . 1 . 2]" 1
302 1 56 ILE H 1 57 ARG H 3.400 . 4.400 2.683 2.588 2.743 . 0 0 "[ . 1 . 2]" 1
303 1 56 ILE H 1 56 ILE MG 4.500 . 5.500 3.571 1.881 3.764 . 0 0 "[ . 1 . 2]" 1
304 1 56 ILE H 1 56 ILE MD 3.600 . 4.600 3.417 3.067 4.366 . 0 0 "[ . 1 . 2]" 1
305 1 57 ARG H 1 57 ARG HA 2.800 . 3.800 2.793 2.766 2.828 . 0 0 "[ . 1 . 2]" 1
306 1 57 ARG H 1 57 ARG QD 3.300 . 4.300 4.196 4.035 4.283 . 0 0 "[ . 1 . 2]" 1
307 1 56 ILE HA 1 57 ARG H 2.800 . 3.800 3.553 3.529 3.559 . 0 0 "[ . 1 . 2]" 1
308 1 56 ILE MG 1 57 ARG H 4.200 . 5.200 3.125 2.027 3.343 . 0 0 "[ . 1 . 2]" 1
309 1 57 ARG H 1 58 ASP HB2 4.200 . 5.200 5.145 5.017 5.207 0.007 10 0 "[ . 1 . 2]" 1
310 1 57 ARG H 1 58 ASP H 2.500 . 3.500 2.719 2.624 2.791 . 0 0 "[ . 1 . 2]" 1
311 1 57 ARG H 1 57 ARG QG 3.300 . 4.300 3.922 2.415 4.041 . 0 0 "[ . 1 . 2]" 1
312 1 55 SER HA 1 57 ARG H 4.000 . 5.000 4.708 4.515 4.843 . 0 0 "[ . 1 . 2]" 1
313 1 58 ASP H 1 58 ASP HA 2.800 . 3.800 2.854 2.852 2.857 . 0 0 "[ . 1 . 2]" 1
314 1 58 ASP H 1 58 ASP HB2 2.800 . 3.800 2.586 2.507 2.671 . 0 0 "[ . 1 . 2]" 1
315 1 58 ASP H 1 58 ASP HB3 2.800 . 3.800 2.514 2.431 2.591 . 0 0 "[ . 1 . 2]" 1
316 1 57 ARG HA 1 58 ASP H 3.300 . 4.300 3.531 3.523 3.546 . 0 0 "[ . 1 . 2]" 1
317 1 57 ARG HB2 1 58 ASP H 3.100 . 4.100 3.905 3.799 3.987 . 0 0 "[ . 1 . 2]" 1
318 1 57 ARG QG 1 58 ASP H 3.400 . 4.400 3.783 1.892 4.245 . 0 0 "[ . 1 . 2]" 1
319 1 56 ILE MG 1 58 ASP H 3.800 . 4.800 4.792 4.241 4.886 0.086 12 0 "[ . 1 . 2]" 1
320 1 58 ASP HA 1 59 GLY H 3.500 . 4.500 3.522 3.505 3.534 . 0 0 "[ . 1 . 2]" 1
321 1 58 ASP HB2 1 59 GLY H 3.500 . 4.500 3.936 3.852 4.006 . 0 0 "[ . 1 . 2]" 1
322 1 58 ASP HB3 1 59 GLY H 3.400 . 4.400 2.718 2.630 2.808 . 0 0 "[ . 1 . 2]" 1
323 1 57 ARG HA 1 59 GLY H 4.500 . 5.500 4.438 4.324 4.529 . 0 0 "[ . 1 . 2]" 1
324 1 57 ARG HB3 1 59 GLY H 4.500 . 5.500 5.007 4.888 5.676 0.176 1 0 "[ . 1 . 2]" 1
325 1 57 ARG QG 1 59 GLY H 5.500 . 6.500 5.454 4.258 5.775 . 0 0 "[ . 1 . 2]" 1
326 1 59 GLY H 1 60 ILE HB 3.800 . 4.800 4.868 4.755 4.952 0.152 18 0 "[ . 1 . 2]" 1
327 1 59 GLY H 1 60 ILE H 3.500 . 4.500 2.745 2.684 2.796 . 0 0 "[ . 1 . 2]" 1
328 1 56 ILE H 1 59 GLY H 5.500 . 6.500 4.600 4.435 4.680 . 0 0 "[ . 1 . 2]" 1
329 1 59 GLY QA 1 60 ILE H 3.500 . 4.500 2.664 2.631 2.753 . 0 0 "[ . 1 . 2]" 1
330 1 57 ARG HA 1 60 ILE H 1.800 . 4.700 3.801 3.703 3.864 . 0 0 "[ . 1 . 2]" 1
331 1 58 ASP H 1 60 ILE H 3.300 . 4.300 4.284 4.087 4.374 0.074 16 0 "[ . 1 . 2]" 1
332 1 60 ILE H 1 60 ILE HB 3.100 . 4.100 2.424 2.321 2.499 . 0 0 "[ . 1 . 2]" 1
333 1 60 ILE H 1 60 ILE MG 3.500 . 4.500 3.739 3.698 3.762 . 0 0 "[ . 1 . 2]" 1
334 1 61 GLU H 1 61 GLU HA 2.800 . 3.800 2.822 2.809 2.829 . 0 0 "[ . 1 . 2]" 1
335 1 61 GLU H 1 61 GLU QG 2.900 . 3.900 3.491 2.595 3.954 0.054 2 0 "[ . 1 . 2]" 1
336 1 57 ARG HA 1 61 GLU H 3.400 . 4.400 4.240 4.025 4.428 0.028 2 0 "[ . 1 . 2]" 1
337 1 57 ARG QD 1 61 GLU H 3.600 . 4.600 4.287 3.964 4.590 . 0 0 "[ . 1 . 2]" 1
338 1 58 ASP HA 1 61 GLU H 3.200 . 4.200 3.596 3.519 3.667 . 0 0 "[ . 1 . 2]" 1
339 1 60 ILE HB 1 61 GLU H 2.500 . 3.500 2.616 2.450 2.735 . 0 0 "[ . 1 . 2]" 1
340 1 60 ILE MG 1 61 GLU H 3.100 . 4.100 3.250 3.086 3.435 . 0 0 "[ . 1 . 2]" 1
341 1 60 ILE H 1 61 GLU H 3.100 . 4.100 2.656 2.599 2.772 . 0 0 "[ . 1 . 2]" 1
342 1 61 GLU H 1 62 LYS QB 3.800 . 4.800 4.642 4.514 4.838 0.038 10 0 "[ . 1 . 2]" 1
343 1 61 GLU H 1 62 LYS QG 3.300 . 4.300 4.319 4.108 4.386 0.086 7 0 "[ . 1 . 2]" 1
344 1 60 ILE MD 1 61 GLU H 4.200 . 5.200 4.379 3.984 4.672 . 0 0 "[ . 1 . 2]" 1
345 1 61 GLU H 1 63 GLY H 3.700 . 4.700 3.914 3.808 4.076 . 0 0 "[ . 1 . 2]" 1
346 1 62 LYS H 1 62 LYS QB 3.500 . 4.500 2.378 2.293 2.487 . 0 0 "[ . 1 . 2]" 1
347 1 62 LYS H 1 62 LYS QG 3.500 . 4.500 2.481 2.252 2.626 . 0 0 "[ . 1 . 2]" 1
348 1 61 GLU HA 1 62 LYS H 4.000 . 5.000 3.498 3.453 3.536 . 0 0 "[ . 1 . 2]" 1
349 1 62 LYS H 1 63 GLY H 4.000 . 4.300 2.381 2.245 2.555 . 0 0 "[ . 1 . 2]" 1
350 1 60 ILE H 1 62 LYS H 4.000 . 5.000 3.996 3.791 4.156 . 0 0 "[ . 1 . 2]" 1
351 1 62 LYS H 1 62 LYS QE 3.800 . 4.800 4.440 3.673 4.837 0.037 7 0 "[ . 1 . 2]" 1
352 1 60 ILE MD 1 62 LYS H 4.500 . 5.500 5.533 5.497 5.572 0.072 15 0 "[ . 1 . 2]" 1
353 1 62 LYS QB 1 63 GLY H 3.800 . 4.800 3.081 2.843 3.630 . 0 0 "[ . 1 . 2]" 1
354 1 62 LYS QG 1 63 GLY H 4.500 . 5.500 4.004 2.448 4.469 . 0 0 "[ . 1 . 2]" 1
355 1 60 ILE HA 1 63 GLY H 4.500 . 5.500 3.339 3.197 3.814 . 0 0 "[ . 1 . 2]" 1
356 1 63 GLY H 1 64 THR HB 4.500 . 5.500 4.737 4.517 5.578 0.078 18 0 "[ . 1 . 2]" 1
357 1 63 GLY H 1 64 THR H . . 4.200 2.293 2.235 2.530 . 0 0 "[ . 1 . 2]" 1
358 1 61 GLU HB2 1 63 GLY H 5.500 . 6.500 5.350 4.906 5.730 . 0 0 "[ . 1 . 2]" 1
359 1 63 GLY H 1 65 TYR H 5.500 . 6.500 4.415 4.193 4.586 . 0 0 "[ . 1 . 2]" 1
360 1 64 THR H 1 64 THR HA 3.000 . 4.000 2.702 2.281 2.756 . 0 0 "[ . 1 . 2]" 1
361 1 64 THR H 1 64 THR HB 3.200 . 4.200 2.697 2.478 3.759 . 0 0 "[ . 1 . 2]" 1
362 1 62 LYS QB 1 64 THR H 4.500 . 5.500 3.213 2.913 4.067 . 0 0 "[ . 1 . 2]" 1
363 1 63 GLY QA 1 64 THR H 3.300 . 4.300 2.818 2.813 2.832 . 0 0 "[ . 1 . 2]" 1
364 1 64 THR H 1 65 TYR HA 5.000 . 5.500 5.430 4.950 5.526 0.026 11 0 "[ . 1 . 2]" 1
365 1 64 THR H 1 65 TYR H 3.100 . 3.700 2.892 2.724 2.990 . 0 0 "[ . 1 . 2]" 1
366 1 60 ILE MG 1 64 THR H 5.500 . 6.500 5.355 4.161 5.746 . 0 0 "[ . 1 . 2]" 1
367 1 60 ILE H 1 64 THR H 5.500 . 6.500 4.894 4.710 5.133 . 0 0 "[ . 1 . 2]" 1
368 1 65 TYR H 1 65 TYR HA 3.000 . 4.000 2.781 2.277 2.946 . 0 0 "[ . 1 . 2]" 1
369 1 65 TYR H 1 65 TYR HB2 3.000 . 4.000 3.010 2.385 3.623 . 0 0 "[ . 1 . 2]" 1
370 1 65 TYR H 1 65 TYR HB3 2.900 . 3.900 3.210 2.471 4.060 0.160 18 0 "[ . 1 . 2]" 1
371 1 63 GLY QA 1 65 TYR H 3.400 . 4.400 3.418 3.170 4.444 0.044 18 0 "[ . 1 . 2]" 1
372 1 64 THR HA 1 65 TYR H 2.800 . 3.800 3.486 2.624 3.566 . 0 0 "[ . 1 . 2]" 1
373 1 64 THR HB 1 65 TYR H 4.000 . 5.000 3.105 2.341 4.336 . 0 0 "[ . 1 . 2]" 1
374 1 65 TYR H 1 66 ALA H 3.400 . 4.400 4.439 3.955 4.544 0.144 9 0 "[ . 1 . 2]" 1
375 1 60 ILE H 1 65 TYR H 5.000 . 6.000 5.958 5.480 6.051 0.051 19 0 "[ . 1 . 2]" 1
376 1 65 TYR H 1 71 VAL HA 1.800 . 6.500 6.409 6.116 6.542 0.042 4 0 "[ . 1 . 2]" 1
377 1 65 TYR H 1 71 VAL QG 5.000 . 6.000 4.587 4.375 5.127 . 0 0 "[ . 1 . 2]" 1
378 1 66 ALA H 1 66 ALA HA 3.000 . 4.000 2.918 2.804 2.949 . 0 0 "[ . 1 . 2]" 1
379 1 65 TYR HA 1 66 ALA H 2.700 . 3.700 2.403 2.140 3.546 . 0 0 "[ . 1 . 2]" 1
380 1 65 TYR HB2 1 66 ALA H 4.100 . 5.100 3.373 1.914 4.450 . 0 0 "[ . 1 . 2]" 1
381 1 65 TYR HB3 1 66 ALA H 3.600 . 4.600 3.389 1.928 4.116 . 0 0 "[ . 1 . 2]" 1
382 1 66 ALA H 1 67 THR HA 4.100 . 5.100 4.552 4.047 4.901 . 0 0 "[ . 1 . 2]" 1
383 1 66 ALA H 1 67 THR MG 4.500 . 5.500 5.349 5.110 5.532 0.032 2 0 "[ . 1 . 2]" 1
384 1 66 ALA H 1 69 VAL QG 5.300 . 6.300 6.210 5.958 6.379 0.079 18 0 "[ . 1 . 2]" 1
385 1 66 ALA H 1 67 THR H 3.000 . 3.700 2.055 1.836 2.346 . 0 0 "[ . 1 . 2]" 1
386 1 66 ALA H 1 70 ASP QB 4.800 . 5.800 2.235 2.003 2.878 . 0 0 "[ . 1 . 2]" 1
387 1 66 ALA H 1 71 VAL QG 5.200 . 6.200 3.634 3.096 3.919 . 0 0 "[ . 1 . 2]" 1
388 1 66 ALA H 1 70 ASP H 5.500 . 6.500 4.479 4.173 4.757 . 0 0 "[ . 1 . 2]" 1
389 1 67 THR H 1 67 THR HA 3.000 . 4.000 2.846 2.813 2.946 . 0 0 "[ . 1 . 2]" 1
390 1 67 THR H 1 67 THR MG 2.900 . 3.900 3.910 3.735 3.958 0.058 5 0 "[ . 1 . 2]" 1
391 1 65 TYR HA 1 67 THR H 4.300 . 5.300 4.029 3.507 5.351 0.051 18 0 "[ . 1 . 2]" 1
392 1 65 TYR HB2 1 67 THR H 4.300 . 5.300 4.229 3.016 5.319 0.019 11 0 "[ . 1 . 2]" 1
393 1 65 TYR HB3 1 67 THR H 4.300 . 5.300 4.189 2.990 5.055 . 0 0 "[ . 1 . 2]" 1
394 1 66 ALA HA 1 67 THR H 3.100 . 4.100 3.511 3.468 3.548 . 0 0 "[ . 1 . 2]" 1
395 1 66 ALA MB 1 67 THR H 2.700 . 3.700 2.738 2.629 2.947 . 0 0 "[ . 1 . 2]" 1
396 1 67 THR H 1 69 VAL HB 4.200 . 5.200 5.057 4.819 5.214 0.014 17 0 "[ . 1 . 2]" 1
397 1 67 THR H 1 69 VAL QG 4.200 . 5.200 5.158 4.994 5.281 0.081 17 0 "[ . 1 . 2]" 1
398 1 67 THR H 1 70 ASP QB 4.800 . 5.800 2.225 1.942 2.764 . 0 0 "[ . 1 . 2]" 1
399 1 65 TYR H 1 67 THR H 5.100 . 6.100 6.126 5.876 6.228 0.128 5 0 "[ . 1 . 2]" 1
400 1 67 THR H 1 70 ASP H 1.800 . 5.000 3.190 3.042 3.587 . 0 0 "[ . 1 . 2]" 1
401 1 67 THR H 1 71 VAL QG 1.800 . 6.500 3.385 3.207 3.599 . 0 0 "[ . 1 . 2]" 1
402 1 67 THR HA 1 68 ASP H 3.500 . 4.500 2.641 2.360 2.697 . 0 0 "[ . 1 . 2]" 1
403 1 67 THR HB 1 68 ASP H 3.700 . 4.700 2.188 2.113 2.933 . 0 0 "[ . 1 . 2]" 1
404 1 67 THR MG 1 68 ASP H 3.900 . 4.900 2.361 2.232 2.544 . 0 0 "[ . 1 . 2]" 1
405 1 68 ASP H 1 71 VAL QG 4.400 . 5.400 4.398 4.271 4.512 . 0 0 "[ . 1 . 2]" 1
406 1 68 ASP H 1 69 VAL H 4.100 . 4.700 2.673 2.645 2.737 . 0 0 "[ . 1 . 2]" 1
407 1 11 ASN HB3 1 68 ASP HA 5.500 . 6.500 4.296 2.561 6.503 0.003 17 0 "[ . 1 . 2]" 1
408 1 68 ASP HA 1 69 VAL H 3.500 . 4.500 3.492 3.450 3.537 . 0 0 "[ . 1 . 2]" 1
409 1 67 THR HA 1 69 VAL H 4.400 . 5.400 4.392 4.025 4.648 . 0 0 "[ . 1 . 2]" 1
410 1 67 THR HB 1 69 VAL H 4.800 . 5.800 2.302 2.169 2.487 . 0 0 "[ . 1 . 2]" 1
411 1 67 THR MG 1 69 VAL H 4.800 . 5.800 3.825 3.283 3.907 . 0 0 "[ . 1 . 2]" 1
412 1 69 VAL H 1 69 VAL HB 3.100 . 4.000 2.496 2.476 2.523 . 0 0 "[ . 1 . 2]" 1
413 1 69 VAL H 1 69 VAL QG 3.000 . 4.000 2.252 2.175 2.351 . 0 0 "[ . 1 . 2]" 1
414 1 69 VAL H 1 71 VAL HB 4.800 . 5.800 5.057 4.967 5.119 . 0 0 "[ . 1 . 2]" 1
415 1 67 THR HB 1 69 VAL QG 3.000 . 4.000 3.222 3.024 3.444 . 0 0 "[ . 1 . 2]" 1
416 1 70 ASP H 1 70 ASP HA 2.800 . 3.800 2.808 2.784 2.823 . 0 0 "[ . 1 . 2]" 1
417 1 70 ASP H 1 70 ASP QB 2.700 . 3.700 2.168 2.044 2.584 . 0 0 "[ . 1 . 2]" 1
418 1 69 VAL HA 1 70 ASP H 3.500 . 4.500 3.560 3.554 3.563 . 0 0 "[ . 1 . 2]" 1
419 1 69 VAL HB 1 70 ASP H 2.900 . 3.900 2.418 2.384 2.461 . 0 0 "[ . 1 . 2]" 1
420 1 69 VAL QG 1 70 ASP H 2.800 . 3.800 3.082 3.010 3.114 . 0 0 "[ . 1 . 2]" 1
421 1 70 ASP H 1 71 VAL HB 3.800 . 4.800 4.857 4.829 4.890 0.090 16 0 "[ . 1 . 2]" 1
422 1 67 THR MG 1 70 ASP H 4.800 . 5.800 4.856 4.423 4.960 . 0 0 "[ . 1 . 2]" 1
423 1 67 THR HA 1 70 ASP H 4.800 . 5.800 4.817 4.783 4.872 . 0 0 "[ . 1 . 2]" 1
424 1 68 ASP H 1 70 ASP H 3.800 . 4.800 4.488 4.413 4.606 . 0 0 "[ . 1 . 2]" 1
425 1 70 ASP H 1 73 ASN H 4.000 . 5.000 4.835 4.744 4.890 . 0 0 "[ . 1 . 2]" 1
426 1 70 ASP H 1 71 VAL H 3.000 . 4.000 2.687 2.630 2.769 . 0 0 "[ . 1 . 2]" 1
427 1 70 ASP HA 1 71 VAL H 3.500 . 4.500 3.534 3.518 3.542 . 0 0 "[ . 1 . 2]" 1
428 1 70 ASP QB 1 71 VAL H 3.000 . 4.000 2.622 2.533 2.756 . 0 0 "[ . 1 . 2]" 1
429 1 69 VAL HA 1 71 VAL H 4.200 . 5.200 4.477 4.350 4.583 . 0 0 "[ . 1 . 2]" 1
430 1 69 VAL HB 1 71 VAL H 3.900 . 4.900 4.889 4.816 4.940 0.040 5 0 "[ . 1 . 2]" 1
431 1 71 VAL H 1 71 VAL HB 3.000 . 4.000 2.462 2.446 2.482 . 0 0 "[ . 1 . 2]" 1
432 1 71 VAL H 1 71 VAL QG . . 3.900 2.315 2.163 2.407 . 0 0 "[ . 1 . 2]" 1
433 1 71 VAL H 1 72 GLN HA 4.400 . 5.400 5.266 5.241 5.297 . 0 0 "[ . 1 . 2]" 1
434 1 67 THR HA 1 71 VAL H 4.500 . 5.500 5.077 5.024 5.250 . 0 0 "[ . 1 . 2]" 1
435 1 71 VAL H 1 73 ASN H 4.000 . 5.000 4.180 4.032 4.313 . 0 0 "[ . 1 . 2]" 1
436 1 71 VAL H 1 72 GLN H 3.100 . 3.600 2.659 2.631 2.699 . 0 0 "[ . 1 . 2]" 1
437 1 11 ASN HB3 1 71 VAL QG 5.500 . 6.500 2.935 2.064 5.137 . 0 0 "[ . 1 . 2]" 1
438 1 14 GLY HA3 1 71 VAL QG 5.500 . 6.500 2.646 2.031 3.885 . 0 0 "[ . 1 . 2]" 1
439 1 72 GLN H 1 72 GLN HA 2.800 . 3.800 2.809 2.799 2.814 . 0 0 "[ . 1 . 2]" 1
440 1 72 GLN H 1 72 GLN QB 2.800 . 3.800 2.226 2.095 2.249 . 0 0 "[ . 1 . 2]" 1
441 1 69 VAL HA 1 72 GLN H 4.800 . 5.800 3.603 3.521 3.695 . 0 0 "[ . 1 . 2]" 1
442 1 70 ASP HA 1 72 GLN H 4.000 . 5.000 4.537 4.416 4.646 . 0 0 "[ . 1 . 2]" 1
443 1 71 VAL QG 1 72 GLN H 3.400 . 4.400 3.147 3.075 3.198 . 0 0 "[ . 1 . 2]" 1
444 1 72 GLN H 1 73 ASN H 3.000 . 4.000 2.704 2.658 2.756 . 0 0 "[ . 1 . 2]" 1
445 1 70 ASP QB 1 72 GLN H 1.800 . 5.500 4.769 4.676 4.878 . 0 0 "[ . 1 . 2]" 1
446 1 69 VAL HB 1 72 GLN H 1.800 . 6.500 5.576 5.506 5.647 . 0 0 "[ . 1 . 2]" 1
447 1 72 GLN QE 1 104 LEU MD1 5.500 . 6.500 4.547 2.505 7.042 0.542 9 1 "[ . +1 . 2]" 1
448 1 73 ASN H 1 73 ASN HA 2.800 . 3.800 2.823 2.803 2.843 . 0 0 "[ . 1 . 2]" 1
449 1 73 ASN H 1 73 ASN HB2 2.700 . 3.700 2.552 2.069 2.867 . 0 0 "[ . 1 . 2]" 1
450 1 73 ASN H 1 73 ASN HB3 2.800 . 3.800 2.921 2.250 3.583 . 0 0 "[ . 1 . 2]" 1
451 1 71 VAL QG 1 73 ASN H 4.800 . 5.800 4.635 4.532 4.725 . 0 0 "[ . 1 . 2]" 1
452 1 72 GLN HA 1 73 ASN H 2.900 . 3.900 3.542 3.528 3.555 . 0 0 "[ . 1 . 2]" 1
453 1 72 GLN QB 1 73 ASN H 3.500 . 4.500 2.566 2.430 2.673 . 0 0 "[ . 1 . 2]" 1
454 1 72 GLN QG 1 73 ASN H 4.200 . 5.200 3.806 3.331 4.436 . 0 0 "[ . 1 . 2]" 1
455 1 73 ASN H 1 74 ASP HB3 4.300 . 5.300 5.001 4.558 5.269 . 0 0 "[ . 1 . 2]" 1
456 1 69 VAL QG 1 73 ASN H 4.200 . 5.200 3.938 3.809 4.076 . 0 0 "[ . 1 . 2]" 1
457 1 69 VAL HA 1 73 ASN H 5.000 . 6.000 4.110 4.001 4.275 . 0 0 "[ . 1 . 2]" 1
458 1 73 ASN H 1 76 ALA H 4.000 . 4.900 4.736 4.660 4.807 . 0 0 "[ . 1 . 2]" 1
459 1 70 ASP HA 1 73 ASN QD 3.000 . 4.000 3.483 2.438 4.126 0.126 16 0 "[ . 1 . 2]" 1
460 1 74 ASP H 1 74 ASP HA 2.800 . 3.800 2.806 2.791 2.825 . 0 0 "[ . 1 . 2]" 1
461 1 74 ASP H 1 74 ASP HB3 2.800 . 3.800 2.664 2.282 2.956 . 0 0 "[ . 1 . 2]" 1
462 1 71 VAL QG 1 74 ASP H 4.200 . 5.200 4.366 4.246 4.456 . 0 0 "[ . 1 . 2]" 1
463 1 72 GLN HA 1 74 ASP H 4.500 . 5.500 4.505 4.408 4.610 . 0 0 "[ . 1 . 2]" 1
464 1 73 ASN HA 1 74 ASP H 3.100 . 4.100 3.536 3.524 3.548 . 0 0 "[ . 1 . 2]" 1
465 1 73 ASN HB3 1 74 ASP H 3.500 2.800 4.500 3.050 2.745 3.848 0.055 7 0 "[ . 1 . 2]" 1
466 1 74 ASP H 1 75 VAL H 2.600 . 3.600 2.765 2.712 2.814 . 0 0 "[ . 1 . 2]" 1
467 1 74 ASP H 1 78 MET ME 5.000 . 6.000 5.941 5.625 6.014 0.014 13 0 "[ . 1 . 2]" 1
468 1 69 VAL QG 1 74 ASP H 4.600 . 5.600 5.654 5.615 5.717 0.117 16 0 "[ . 1 . 2]" 1
469 1 74 ASP H 1 76 ALA H 3.200 . 4.200 4.110 3.985 4.241 0.041 16 0 "[ . 1 . 2]" 1
470 1 73 ASN H 1 74 ASP H 3.200 . 4.200 2.646 2.561 2.727 . 0 0 "[ . 1 . 2]" 1
471 1 74 ASP H 1 76 ALA MB 4.300 . 5.300 4.640 4.536 4.754 . 0 0 "[ . 1 . 2]" 1
472 1 71 VAL H 1 74 ASP H 4.500 . 5.500 4.728 4.640 4.841 . 0 0 "[ . 1 . 2]" 1
473 1 74 ASP HA 1 75 VAL H 3.500 . 4.500 3.559 3.547 3.563 . 0 0 "[ . 1 . 2]" 1
474 1 74 ASP HB2 1 75 VAL H 4.100 . 5.100 3.672 3.407 3.926 . 0 0 "[ . 1 . 2]" 1
475 1 74 ASP HB3 1 75 VAL H 3.400 . 4.400 2.430 2.345 2.548 . 0 0 "[ . 1 . 2]" 1
476 1 72 GLN HA 1 75 VAL H 3.400 . 4.400 3.720 3.680 3.772 . 0 0 "[ . 1 . 2]" 1
477 1 75 VAL H 1 75 VAL MG1 1.800 . 5.500 3.056 1.924 3.764 . 0 0 "[ . 1 . 2]" 1
478 1 73 ASN HA 1 75 VAL H 3.800 . 4.800 4.663 4.505 4.732 . 0 0 "[ . 1 . 2]" 1
479 1 71 VAL QG 1 75 VAL H 4.500 2.800 5.500 3.765 3.677 3.841 . 0 0 "[ . 1 . 2]" 1
480 1 75 VAL H 1 76 ALA H 3.000 . 3.500 2.699 2.642 2.782 . 0 0 "[ . 1 . 2]" 1
481 1 73 ASN H 1 75 VAL H 3.900 . 4.900 4.320 4.218 4.360 . 0 0 "[ . 1 . 2]" 1
482 1 75 VAL H 1 76 ALA MB 3.800 . 4.800 4.291 4.237 4.358 . 0 0 "[ . 1 . 2]" 1
483 1 75 VAL HA 1 78 MET QG 4.500 . 5.500 3.041 2.152 4.611 . 0 0 "[ . 1 . 2]" 1
484 1 76 ALA H 1 76 ALA HA 2.800 . 3.800 2.801 2.784 2.827 . 0 0 "[ . 1 . 2]" 1
485 1 75 VAL HB 1 76 ALA H 1.800 . 4.500 3.103 2.491 3.950 . 0 0 "[ . 1 . 2]" 1
486 1 75 VAL MG1 1 76 ALA H 1.800 . 5.200 3.382 2.056 3.946 . 0 0 "[ . 1 . 2]" 1
487 1 75 VAL MG2 1 76 ALA H 1.800 . 5.200 3.249 1.975 3.888 . 0 0 "[ . 1 . 2]" 1
488 1 73 ASN HA 1 76 ALA H 4.500 . 5.500 3.575 3.513 3.646 . 0 0 "[ . 1 . 2]" 1
489 1 73 ASN HA 1 76 ALA MB 4.000 . 5.000 2.482 2.386 2.614 . 0 0 "[ . 1 . 2]" 1
490 1 73 ASN HB2 1 76 ALA MB 4.000 . 5.000 4.785 4.449 5.040 0.040 18 0 "[ . 1 . 2]" 1
491 1 73 ASN HB3 1 76 ALA MB 4.000 . 5.000 4.749 4.304 5.052 0.052 9 0 "[ . 1 . 2]" 1
492 1 76 ALA H 1 77 ARG H 3.000 . 4.000 2.741 2.616 2.802 . 0 0 "[ . 1 . 2]" 1
493 1 76 ALA MB 1 77 ARG H 2.500 . 3.500 2.585 2.497 2.703 . 0 0 "[ . 1 . 2]" 1
494 1 77 ARG H 1 78 MET H 4.000 . 5.000 2.630 2.523 2.776 . 0 0 "[ . 1 . 2]" 1
495 1 78 MET H 1 79 ILE MD 3.900 . 4.900 4.742 3.911 5.006 0.106 10 0 "[ . 1 . 2]" 1
496 1 75 VAL MG2 1 78 MET H 4.300 . 5.300 5.038 4.558 5.302 0.002 5 0 "[ . 1 . 2]" 1
497 1 49 ARG QB 1 78 MET H 5.500 . 6.500 6.255 5.383 6.560 0.060 5 0 "[ . 1 . 2]" 1
498 1 79 ILE H 1 79 ILE HA 2.800 . 3.800 2.829 2.805 2.837 . 0 0 "[ . 1 . 2]" 1
499 1 78 MET HA 1 79 ILE H 3.300 . 4.300 3.545 3.525 3.558 . 0 0 "[ . 1 . 2]" 1
500 1 78 MET QG 1 79 ILE H 3.000 . 4.000 3.963 3.818 4.066 0.066 9 0 "[ . 1 . 2]" 1
501 1 79 ILE H 1 81 ASN H 3.900 . 4.900 4.265 4.187 4.322 . 0 0 "[ . 1 . 2]" 1
502 1 79 ILE H 1 79 ILE MD 3.300 . 4.300 3.115 2.113 3.531 . 0 0 "[ . 1 . 2]" 1
503 1 79 ILE H 1 79 ILE HB 2.700 . 3.700 2.820 2.205 3.617 . 0 0 "[ . 1 . 2]" 1
504 1 79 ILE H 1 80 THR H 1.800 . 4.500 2.627 2.580 2.755 . 0 0 "[ . 1 . 2]" 1
505 1 78 MET H 1 79 ILE H 1.800 . 4.500 2.697 2.631 2.764 . 0 0 "[ . 1 . 2]" 1
506 1 79 ILE H 1 104 LEU MD2 1.800 . 6.500 6.190 5.894 6.502 0.002 3 0 "[ . 1 . 2]" 1
507 1 79 ILE H 1 104 LEU HB3 1.800 . 6.500 6.520 6.422 6.551 0.051 17 0 "[ . 1 . 2]" 1
508 1 79 ILE HA 1 100 ARG HA 5.500 . 6.500 5.881 5.365 6.502 0.002 19 0 "[ . 1 . 2]" 1
509 1 79 ILE HA 1 80 THR H 3.500 . 4.500 3.533 3.519 3.556 . 0 0 "[ . 1 . 2]" 1
510 1 79 ILE HB 1 80 THR H 3.200 . 4.200 2.953 2.468 3.745 . 0 0 "[ . 1 . 2]" 1
511 1 80 THR H 1 80 THR HB 3.300 . 4.300 2.756 2.424 3.614 . 0 0 "[ . 1 . 2]" 1
512 1 80 THR H 1 80 THR MG 3.200 . 4.200 3.530 2.126 3.769 . 0 0 "[ . 1 . 2]" 1
513 1 80 THR H 1 81 ASN H 3.400 . 4.100 2.726 2.662 2.812 . 0 0 "[ . 1 . 2]" 1
514 1 80 THR H 1 82 ALA H 4.100 . 5.100 4.079 3.941 4.316 . 0 0 "[ . 1 . 2]" 1
515 1 81 ASN H 1 81 ASN HB2 3.100 . 4.100 2.926 2.123 3.510 . 0 0 "[ . 1 . 2]" 1
516 1 81 ASN H 1 81 ASN HB3 3.200 . 4.200 2.785 2.125 3.577 . 0 0 "[ . 1 . 2]" 1
517 1 80 THR MG 1 81 ASN H 3.200 . 4.200 3.514 3.169 3.951 . 0 0 "[ . 1 . 2]" 1
518 1 81 ASN H 1 82 ALA H 3.100 . 4.100 2.618 2.538 2.718 . 0 0 "[ . 1 . 2]" 1
519 1 81 ASN H 1 83 LEU H 3.600 . 4.600 4.227 4.026 4.616 0.016 5 0 "[ . 1 . 2]" 1
520 1 78 MET HA 1 81 ASN H 1.800 . 5.100 3.711 3.591 3.836 . 0 0 "[ . 1 . 2]" 1
521 1 79 ILE HA 1 81 ASN H 3.900 . 4.900 4.570 4.452 4.659 . 0 0 "[ . 1 . 2]" 1
522 1 47 ILE HA 1 81 ASN H 1.800 . 6.300 6.229 5.490 6.402 0.102 5 0 "[ . 1 . 2]" 1
523 1 47 ILE MG 1 81 ASN H 1.800 . 6.300 4.984 4.246 6.366 0.066 5 0 "[ . 1 . 2]" 1
524 1 47 ILE MD 1 81 ASN H 1.800 . 6.300 5.424 3.487 6.316 0.016 6 0 "[ . 1 . 2]" 1
525 1 78 MET HA 1 81 ASN QD 3.500 . 4.500 3.644 1.907 4.541 0.041 18 0 "[ . 1 . 2]" 1
526 1 49 ARG QB 1 81 ASN QD 5.500 . 6.500 3.828 1.850 6.543 0.043 18 0 "[ . 1 . 2]" 1
527 1 51 VAL QG 1 81 ASN QD 5.500 . 6.500 3.543 1.876 5.910 . 0 0 "[ . 1 . 2]" 1
528 1 47 ILE MD 1 81 ASN QD 5.500 . 6.500 3.506 1.878 5.352 . 0 0 "[ . 1 . 2]" 1
529 1 51 VAL HB 1 81 ASN QD 5.500 . 6.500 4.272 1.937 6.516 0.016 10 0 "[ . 1 . 2]" 1
530 1 81 ASN HA 1 82 ALA H 3.500 . 4.500 3.529 3.512 3.552 . 0 0 "[ . 1 . 2]" 1
531 1 81 ASN HB2 1 82 ALA H 4.100 . 5.100 3.474 2.566 4.140 . 0 0 "[ . 1 . 2]" 1
532 1 81 ASN HB3 1 82 ALA H 4.000 . 5.000 3.428 2.641 3.908 . 0 0 "[ . 1 . 2]" 1
533 1 80 THR MG 1 82 ALA H 4.500 . 5.500 5.133 4.926 5.508 0.008 11 0 "[ . 1 . 2]" 1
534 1 82 ALA H 1 83 LEU MD2 4.500 . 5.500 5.363 4.521 5.573 0.073 12 0 "[ . 1 . 2]" 1
535 1 82 ALA H 1 83 LEU H . . 3.500 2.708 2.539 2.995 . 0 0 "[ . 1 . 2]" 1
536 1 79 ILE HA 1 82 ALA H 4.400 . 5.400 3.529 3.372 3.624 . 0 0 "[ . 1 . 2]" 1
537 1 83 LEU H 1 83 LEU HB2 3.100 . 4.100 2.947 2.133 3.578 . 0 0 "[ . 1 . 2]" 1
538 1 83 LEU H 1 83 LEU MD2 4.300 . 5.300 3.520 2.899 3.858 . 0 0 "[ . 1 . 2]" 1
539 1 83 LEU HB2 1 96 ALA HA 5.500 . 6.500 5.486 4.311 6.548 0.048 7 0 "[ . 1 . 2]" 1
540 1 83 LEU QD 1 97 MET QB 5.500 . 6.500 3.027 1.960 4.818 . 0 0 "[ . 1 . 2]" 1
541 1 83 LEU HB2 1 84 GLU H 3.400 . 4.400 3.982 2.873 4.192 . 0 0 "[ . 1 . 2]" 1
542 1 83 LEU HB3 1 84 GLU H 3.400 . 4.400 3.068 2.655 4.074 . 0 0 "[ . 1 . 2]" 1
543 1 83 LEU MD2 1 84 GLU H 3.800 . 4.800 3.120 2.335 4.797 . 0 0 "[ . 1 . 2]" 1
544 1 80 THR HB 1 84 GLU H 1.800 . 6.200 5.644 5.077 5.875 . 0 0 "[ . 1 . 2]" 1
545 1 84 GLU H 1 84 GLU HG2 3.200 . 4.200 4.256 4.109 4.301 0.101 3 0 "[ . 1 . 2]" 1
546 1 82 ALA H 1 84 GLU H 1.800 . 5.500 4.027 3.840 4.269 . 0 0 "[ . 1 . 2]" 1
547 1 84 GLU H 1 86 ASN H 1.800 . 5.500 3.889 3.643 4.144 . 0 0 "[ . 1 . 2]" 1
548 1 47 ILE MD 1 84 GLU H 1.800 . 6.000 5.703 3.743 6.067 0.067 18 0 "[ . 1 . 2]" 1
549 1 85 TYR H 1 85 TYR HB3 3.000 . 4.000 2.352 2.319 2.401 . 0 0 "[ . 1 . 2]" 1
550 1 85 TYR H 1 86 ASN H 3.100 . 4.000 2.340 2.293 2.511 . 0 0 "[ . 1 . 2]" 1
551 1 85 TYR H 1 85 TYR HB2 3.100 . 4.100 2.897 2.750 3.581 . 0 0 "[ . 1 . 2]" 1
552 1 47 ILE MG 1 85 TYR H 5.500 . 6.500 4.011 2.789 5.898 . 0 0 "[ . 1 . 2]" 1
553 1 85 TYR HB3 1 86 ASN H 3.300 . 4.300 2.997 2.721 3.833 . 0 0 "[ . 1 . 2]" 1
554 1 86 ASN H 1 87 ALA H 3.300 . 4.300 2.449 2.236 2.531 . 0 0 "[ . 1 . 2]" 1
555 1 83 LEU HB3 1 86 ASN H 4.500 . 5.500 5.439 5.288 5.533 0.033 18 0 "[ . 1 . 2]" 1
556 1 87 ALA H 1 87 ALA HA 3.000 . 4.000 2.836 2.829 2.839 . 0 0 "[ . 1 . 2]" 1
557 1 87 ALA H 1 87 ALA MB 2.600 . 3.600 2.147 2.037 2.242 . 0 0 "[ . 1 . 2]" 1
558 1 86 ASN HA 1 87 ALA H 2.700 . 3.700 3.320 3.236 3.442 . 0 0 "[ . 1 . 2]" 1
559 1 86 ASN QB 1 87 ALA H 3.200 . 4.200 3.273 2.985 3.429 . 0 0 "[ . 1 . 2]" 1
560 1 84 GLU H 1 87 ALA H 5.000 . 6.000 4.877 4.581 5.321 . 0 0 "[ . 1 . 2]" 1
561 1 84 GLU QB 1 87 ALA H 5.000 . 6.000 5.107 4.863 5.408 . 0 0 "[ . 1 . 2]" 1
562 1 86 ASN HA 1 88 LYS H 4.000 . 5.000 4.898 4.846 5.002 0.002 7 0 "[ . 1 . 2]" 1
563 1 87 ALA HA 1 88 LYS H 4.000 . 5.000 2.216 2.195 2.224 . 0 0 "[ . 1 . 2]" 1
564 1 87 ALA MB 1 88 LYS H 3.500 . 4.500 3.533 3.498 3.544 . 0 0 "[ . 1 . 2]" 1
565 1 88 LYS H 1 89 GLY QA 4.000 . 5.000 3.977 3.604 4.938 . 0 0 "[ . 1 . 2]" 1
566 1 88 LYS H 1 88 LYS QG 1.800 . 5.300 3.705 2.599 4.223 . 0 0 "[ . 1 . 2]" 1
567 1 88 LYS H 1 89 GLY H 1.800 . 4.800 2.572 1.877 4.393 . 0 0 "[ . 1 . 2]" 1
568 1 88 LYS H 1 93 TYR H 1.800 . 6.500 4.457 3.207 5.347 . 0 0 "[ . 1 . 2]" 1
569 1 88 LYS HA 1 89 GLY H 3.200 . 4.200 3.199 2.171 3.574 . 0 0 "[ . 1 . 2]" 1
570 1 88 LYS QB 1 89 GLY H 3.200 . 4.200 2.831 1.981 4.049 . 0 0 "[ . 1 . 2]" 1
571 1 88 LYS QG 1 89 GLY H 3.600 . 4.600 3.390 2.031 4.533 . 0 0 "[ . 1 . 2]" 1
572 1 89 GLY H 1 90 SER HA 4.800 . 5.800 4.562 4.015 5.850 0.050 5 0 "[ . 1 . 2]" 1
573 1 89 GLY H 1 90 SER H 3.800 . 4.800 2.498 1.874 4.365 . 0 0 "[ . 1 . 2]" 1
574 1 89 GLY H 1 93 TYR H 4.500 . 5.500 4.185 3.279 5.329 . 0 0 "[ . 1 . 2]" 1
575 1 89 GLY H 1 92 TRP H 4.500 . 5.500 5.227 4.178 5.606 0.106 10 0 "[ . 1 . 2]" 1
576 1 89 GLY H 1 90 SER QB 4.000 . 5.000 4.349 3.440 5.075 0.075 16 0 "[ . 1 . 2]" 1
577 1 90 SER H 1 90 SER HA 3.000 . 4.000 2.671 2.275 2.948 . 0 0 "[ . 1 . 2]" 1
578 1 90 SER H 1 90 SER QB 3.300 . 4.300 2.908 2.176 3.476 . 0 0 "[ . 1 . 2]" 1
579 1 89 GLY QA 1 90 SER H 3.500 . 4.500 2.627 2.200 2.919 . 0 0 "[ . 1 . 2]" 1
580 1 90 SER H 1 93 TYR HB2 3.900 . 4.900 3.681 2.451 4.901 0.001 12 0 "[ . 1 . 2]" 1
581 1 90 SER H 1 93 TYR HB3 3.900 . 4.900 3.792 2.611 4.901 0.001 12 0 "[ . 1 . 2]" 1
582 1 88 LYS QG 1 90 SER H 4.800 . 5.800 4.833 2.226 5.814 0.014 12 0 "[ . 1 . 2]" 1
583 1 90 SER H 1 94 GLN H 4.500 . 5.500 5.188 4.241 5.541 0.041 8 0 "[ . 1 . 2]" 1
584 1 90 SER H 1 93 TYR H 1.800 . 5.000 3.414 2.851 4.578 . 0 0 "[ . 1 . 2]" 1
585 1 91 THR H 1 91 THR HA 3.000 . 4.000 2.807 2.757 2.825 . 0 0 "[ . 1 . 2]" 1
586 1 91 THR H 1 91 THR MG 3.100 . 4.100 3.661 3.478 3.768 . 0 0 "[ . 1 . 2]" 1
587 1 90 SER HA 1 91 THR H 3.500 . 4.500 3.133 2.579 3.569 . 0 0 "[ . 1 . 2]" 1
588 1 90 SER QB 1 91 THR H 3.500 . 4.500 2.314 1.895 2.976 . 0 0 "[ . 1 . 2]" 1
589 1 91 THR H 1 92 TRP H 3.200 . 4.200 2.660 2.596 2.767 . 0 0 "[ . 1 . 2]" 1
590 1 90 SER H 1 91 THR H 3.700 . 4.700 3.859 2.450 4.614 . 0 0 "[ . 1 . 2]" 1
591 1 91 THR HA 1 92 TRP H 3.500 . 4.500 3.501 3.475 3.550 . 0 0 "[ . 1 . 2]" 1
592 1 92 TRP H 1 92 TRP QB 3.500 . 4.500 2.077 2.045 2.172 . 0 0 "[ . 1 . 2]" 1
593 1 90 SER HA 1 92 TRP H 1.800 . 5.100 4.508 4.275 4.905 . 0 0 "[ . 1 . 2]" 1
594 1 28 LEU MD2 1 92 TRP HE1 5.500 . 6.500 6.352 5.271 6.522 0.022 17 0 "[ . 1 . 2]" 1
595 1 93 TYR H 1 93 TYR HA 2.800 . 3.800 2.811 2.777 2.833 . 0 0 "[ . 1 . 2]" 1
596 1 93 TYR H 1 93 TYR HB3 2.700 . 3.700 2.491 2.391 2.639 . 0 0 "[ . 1 . 2]" 1
597 1 90 SER HA 1 93 TYR H 4.200 . 5.200 4.342 3.760 4.800 . 0 0 "[ . 1 . 2]" 1
598 1 92 TRP HA 1 93 TYR H 3.100 . 4.100 3.529 3.506 3.558 . 0 0 "[ . 1 . 2]" 1
599 1 93 TYR H 1 93 TYR HB2 2.800 . 3.800 2.576 2.433 2.681 . 0 0 "[ . 1 . 2]" 1
600 1 93 TYR H 1 94 GLN QB 3.500 . 4.500 4.388 4.281 4.485 . 0 0 "[ . 1 . 2]" 1
601 1 94 GLN H 1 94 GLN HA 3.000 . 4.000 2.824 2.782 2.842 . 0 0 "[ . 1 . 2]" 1
602 1 93 TYR H 1 94 GLN H 3.000 . 4.000 2.699 2.597 2.844 . 0 0 "[ . 1 . 2]" 1
603 1 91 THR MG 1 94 GLN H 3.800 . 4.800 4.516 4.202 4.652 . 0 0 "[ . 1 . 2]" 1
604 1 93 TYR HB2 1 94 GLN H 3.800 . 4.800 3.873 3.707 3.973 . 0 0 "[ . 1 . 2]" 1
605 1 94 GLN H 1 95 GLU H 3.200 . 4.200 2.640 2.557 2.763 . 0 0 "[ . 1 . 2]" 1
606 1 93 TYR HA 1 95 GLU H 3.800 . 4.800 4.498 4.370 4.690 . 0 0 "[ . 1 . 2]" 1
607 1 95 GLU H 1 95 GLU HB2 3.200 . 4.200 2.718 2.115 3.594 . 0 0 "[ . 1 . 2]" 1
608 1 95 GLU H 1 95 GLU HB3 3.200 . 4.200 2.561 2.209 3.073 . 0 0 "[ . 1 . 2]" 1
609 1 95 GLU HA 1 96 ALA H 3.500 . 4.500 3.543 3.513 3.552 . 0 0 "[ . 1 . 2]" 1
610 1 95 GLU HB2 1 96 ALA H 3.400 . 4.400 3.773 3.333 4.084 . 0 0 "[ . 1 . 2]" 1
611 1 95 GLU HB3 1 96 ALA H 3.500 . 4.500 2.816 2.460 3.966 . 0 0 "[ . 1 . 2]" 1
612 1 96 ALA H 1 96 ALA MB 3.000 . 4.000 2.130 2.030 2.241 . 0 0 "[ . 1 . 2]" 1
613 1 93 TYR HA 1 96 ALA H 4.000 . 5.000 3.658 3.540 3.720 . 0 0 "[ . 1 . 2]" 1
614 1 93 TYR H 1 96 ALA H 5.500 . 6.500 4.787 4.635 4.925 . 0 0 "[ . 1 . 2]" 1
615 1 96 ALA H 1 98 SER H 4.000 . 5.000 4.081 3.945 4.224 . 0 0 "[ . 1 . 2]" 1
616 1 96 ALA H 1 97 MET H 3.500 . 4.000 2.643 2.584 2.709 . 0 0 "[ . 1 . 2]" 1
617 1 97 MET H 1 97 MET HA 2.800 . 3.800 2.835 2.822 2.851 . 0 0 "[ . 1 . 2]" 1
618 1 97 MET H 1 97 MET QB 2.700 . 3.700 2.193 2.049 2.254 . 0 0 "[ . 1 . 2]" 1
619 1 97 MET H 1 97 MET QG 3.000 . 4.000 3.853 3.242 3.999 . 0 0 "[ . 1 . 2]" 1
620 1 96 ALA HA 1 97 MET H 2.900 . 3.900 3.541 3.522 3.556 . 0 0 "[ . 1 . 2]" 1
621 1 96 ALA MB 1 97 MET H 3.100 . 4.100 2.606 2.424 2.774 . 0 0 "[ . 1 . 2]" 1
622 1 97 MET H 1 98 SER H 3.000 . 4.000 2.597 2.547 2.666 . 0 0 "[ . 1 . 2]" 1
623 1 97 MET H 1 100 ARG H 5.100 . 6.100 4.676 4.602 4.740 . 0 0 "[ . 1 . 2]" 1
624 1 97 MET QB 1 98 SER H 3.000 . 4.000 2.616 2.478 2.793 . 0 0 "[ . 1 . 2]" 1
625 1 97 MET QG 1 98 SER H 3.600 . 4.600 4.070 3.445 4.489 . 0 0 "[ . 1 . 2]" 1
626 1 98 SER H 1 98 SER QB 2.600 . 3.600 2.246 2.080 2.376 . 0 0 "[ . 1 . 2]" 1
627 1 98 SER H 1 99 PHE HB2 4.100 . 5.100 4.503 4.432 4.663 . 0 0 "[ . 1 . 2]" 1
628 1 96 ALA MB 1 98 SER H 3.800 . 4.800 4.523 4.410 4.651 . 0 0 "[ . 1 . 2]" 1
629 1 98 SER H 1 99 PHE H 3.000 . 4.000 2.638 2.601 2.724 . 0 0 "[ . 1 . 2]" 1
630 1 99 PHE H 1 99 PHE HA 2.800 . 3.800 2.838 2.829 2.845 . 0 0 "[ . 1 . 2]" 1
631 1 99 PHE H 1 99 PHE HB2 3.200 . 4.200 2.121 2.074 2.284 . 0 0 "[ . 1 . 2]" 1
632 1 99 PHE H 1 99 PHE HB3 3.300 . 4.300 3.371 3.172 3.550 . 0 0 "[ . 1 . 2]" 1
633 1 96 ALA MB 1 99 PHE H 3.700 . 4.700 4.731 4.700 4.789 0.089 19 0 "[ . 1 . 2]" 1
634 1 97 MET QB 1 99 PHE H 4.000 . 5.000 4.776 4.643 4.886 . 0 0 "[ . 1 . 2]" 1
635 1 99 PHE H 1 100 ARG HB2 4.500 . 5.500 5.013 4.319 5.193 . 0 0 "[ . 1 . 2]" 1
636 1 99 PHE H 1 100 ARG H 3.300 . 4.300 2.579 2.526 2.630 . 0 0 "[ . 1 . 2]" 1
637 1 99 PHE H 1 101 LYS QD 5.500 . 6.500 5.799 4.703 6.572 0.072 16 0 "[ . 1 . 2]" 1
638 1 99 PHE HB2 1 100 ARG H 4.200 . 5.200 3.044 2.795 3.290 . 0 0 "[ . 1 . 2]" 1
639 1 100 ARG H 1 100 ARG HB2 3.500 . 4.500 2.597 2.061 2.742 . 0 0 "[ . 1 . 2]" 1
640 1 100 ARG H 1 100 ARG HB3 3.500 . 4.500 2.473 2.344 3.271 . 0 0 "[ . 1 . 2]" 1
641 1 100 ARG H 1 100 ARG QG 3.800 . 4.800 4.001 3.851 4.044 . 0 0 "[ . 1 . 2]" 1
642 1 100 ARG H 1 100 ARG QD 3.800 . 4.800 4.094 2.757 4.506 . 0 0 "[ . 1 . 2]" 1
643 1 100 ARG H 1 101 LYS H 3.800 . 4.300 2.673 2.521 2.740 . 0 0 "[ . 1 . 2]" 1
644 1 79 ILE MD 1 100 ARG HA 5.500 . 6.500 3.879 2.917 5.150 . 0 0 "[ . 1 . 2]" 1
645 1 101 LYS H 1 101 LYS HA 2.800 . 3.800 2.842 2.830 2.863 . 0 0 "[ . 1 . 2]" 1
646 1 101 LYS H 1 101 LYS QB 2.700 . 3.700 2.193 2.048 2.506 . 0 0 "[ . 1 . 2]" 1
647 1 101 LYS H 1 101 LYS QD 2.900 . 3.900 3.705 3.098 4.069 0.169 16 0 "[ . 1 . 2]" 1
648 1 101 LYS H 1 101 LYS QE 4.300 . 5.300 4.908 4.132 5.197 . 0 0 "[ . 1 . 2]" 1
649 1 100 ARG HB2 1 101 LYS H 3.400 . 4.400 4.122 3.456 4.208 . 0 0 "[ . 1 . 2]" 1
650 1 100 ARG QD 1 101 LYS H 4.000 . 5.000 3.735 3.132 4.939 . 0 0 "[ . 1 . 2]" 1
651 1 101 LYS H 1 102 THR HA 4.200 . 5.200 5.191 5.129 5.224 0.024 16 0 "[ . 1 . 2]" 1
652 1 101 LYS H 1 102 THR MG 3.800 . 4.800 3.766 3.613 3.852 . 0 0 "[ . 1 . 2]" 1
653 1 101 LYS H 1 104 LEU MD2 5.000 . 6.000 4.608 4.366 4.792 . 0 0 "[ . 1 . 2]" 1
654 1 102 THR H 1 102 THR HB 3.500 . 4.500 3.032 2.941 3.196 . 0 0 "[ . 1 . 2]" 1
655 1 102 THR H 1 102 THR MG 3.500 . 4.500 2.115 1.973 2.166 . 0 0 "[ . 1 . 2]" 1
656 1 101 LYS QB 1 102 THR H 3.600 . 4.600 3.086 2.955 3.578 . 0 0 "[ . 1 . 2]" 1
657 1 101 LYS QD 1 102 THR H 4.500 . 5.500 4.490 3.104 5.455 . 0 0 "[ . 1 . 2]" 1
658 1 102 THR H 1 103 TYR HB2 3.500 . 4.500 3.893 3.733 4.530 0.030 8 0 "[ . 1 . 2]" 1
659 1 102 THR H 1 103 TYR H 3.500 . 4.500 1.981 1.948 2.073 . 0 0 "[ . 1 . 2]" 1
660 1 99 PHE HB2 1 102 THR H 5.500 . 6.500 5.657 5.498 5.795 . 0 0 "[ . 1 . 2]" 1
661 1 100 ARG HB2 1 102 THR H 4.700 . 5.700 5.614 5.316 5.715 0.015 16 0 "[ . 1 . 2]" 1
662 1 24 ASP QB 1 102 THR MG 5.000 . 6.000 5.873 5.507 6.054 0.054 17 0 "[ . 1 . 2]" 1
663 1 102 THR HA 1 103 TYR H 3.500 . 4.500 3.355 3.338 3.458 . 0 0 "[ . 1 . 2]" 1
664 1 102 THR MG 1 103 TYR H 3.500 . 4.500 2.711 2.353 2.772 . 0 0 "[ . 1 . 2]" 1
665 1 103 TYR H 1 103 TYR HB2 3.500 . 4.500 2.286 2.098 2.773 . 0 0 "[ . 1 . 2]" 1
666 1 103 TYR H 1 103 TYR HB3 3.500 . 4.500 2.894 2.315 3.498 . 0 0 "[ . 1 . 2]" 1
667 1 103 TYR H 1 104 LEU MD2 4.200 . 5.200 3.962 3.582 4.558 . 0 0 "[ . 1 . 2]" 1
668 1 104 LEU H 1 104 LEU HA 3.000 . 4.000 2.846 2.842 2.853 . 0 0 "[ . 1 . 2]" 1
669 1 104 LEU H 1 104 LEU HB2 3.200 . 4.200 3.580 3.569 3.595 . 0 0 "[ . 1 . 2]" 1
670 1 104 LEU H 1 104 LEU HB3 3.200 . 4.200 2.687 2.427 2.780 . 0 0 "[ . 1 . 2]" 1
671 1 104 LEU H 1 104 LEU MD2 4.300 . 5.300 2.364 1.934 2.958 . 0 0 "[ . 1 . 2]" 1
672 1 103 TYR HA 1 104 LEU H 3.200 . 4.200 3.566 3.564 3.568 . 0 0 "[ . 1 . 2]" 1
673 1 103 TYR HB2 1 104 LEU H 3.500 . 4.500 3.374 2.563 3.857 . 0 0 "[ . 1 . 2]" 1
674 1 103 TYR H 1 104 LEU H 1.800 . 5.700 2.774 2.720 2.843 . 0 0 "[ . 1 . 2]" 1
675 1 104 LEU H 1 105 ASP H 1.800 . 5.500 2.549 2.518 2.592 . 0 0 "[ . 1 . 2]" 1
676 1 104 LEU H 1 107 ALA H 1.800 . 5.400 4.776 4.514 5.122 . 0 0 "[ . 1 . 2]" 1
677 1 79 ILE MD 1 104 LEU HA 4.500 . 5.500 3.914 2.824 5.516 0.016 16 0 "[ . 1 . 2]" 1
678 1 104 LEU HA 1 105 ASP H 3.500 . 4.500 3.523 3.510 3.546 . 0 0 "[ . 1 . 2]" 1
679 1 104 LEU HB2 1 105 ASP H 3.800 . 4.800 3.670 3.463 3.940 . 0 0 "[ . 1 . 2]" 1
680 1 104 LEU HB3 1 105 ASP H 3.800 . 4.800 3.986 3.856 4.037 . 0 0 "[ . 1 . 2]" 1
681 1 104 LEU MD2 1 105 ASP H 3.300 . 4.300 3.601 3.436 3.697 . 0 0 "[ . 1 . 2]" 1
682 1 102 THR HA 1 105 ASP H 4.100 . 5.100 3.317 3.202 3.468 . 0 0 "[ . 1 . 2]" 1
683 1 105 ASP H 1 106 LEU HB2 4.400 . 5.400 4.774 4.567 5.300 . 0 0 "[ . 1 . 2]" 1
684 1 105 ASP H 1 107 ALA H 4.500 . 5.500 3.897 3.723 4.218 . 0 0 "[ . 1 . 2]" 1
685 1 103 TYR H 1 105 ASP H 1.800 . 5.500 3.910 3.809 4.002 . 0 0 "[ . 1 . 2]" 1
686 1 105 ASP H 1 105 ASP HB2 3.500 . 4.500 2.201 2.067 2.501 . 0 0 "[ . 1 . 2]" 1
687 1 105 ASP HB2 1 106 LEU H 2.800 . 3.800 3.170 2.563 3.790 . 0 0 "[ . 1 . 2]" 1
688 1 106 LEU H 1 107 ALA H 3.500 . 4.500 2.551 2.333 2.688 . 0 0 "[ . 1 . 2]" 1
689 1 107 ALA H 1 107 ALA HA 2.800 . 3.800 2.939 2.910 2.948 . 0 0 "[ . 1 . 2]" 1
690 1 107 ALA H 1 107 ALA MB 3.000 . 4.000 2.387 2.244 2.545 . 0 0 "[ . 1 . 2]" 1
691 1 104 LEU HA 1 107 ALA H 4.500 . 5.500 3.335 3.208 3.476 . 0 0 "[ . 1 . 2]" 1
692 1 104 LEU MD2 1 107 ALA H 5.000 . 6.000 6.047 6.008 6.133 0.133 19 0 "[ . 1 . 2]" 1
693 1 106 LEU HA 1 107 ALA H 3.200 . 4.200 3.420 3.092 3.534 . 0 0 "[ . 1 . 2]" 1
694 1 106 LEU HB2 1 107 ALA H 3.200 . 4.200 3.424 2.885 4.214 0.014 19 0 "[ . 1 . 2]" 1
695 1 106 LEU HB3 1 107 ALA H 3.400 . 4.400 3.506 2.866 4.227 . 0 0 "[ . 1 . 2]" 1
696 1 105 ASP HA 1 107 ALA H 1.800 . 6.300 4.042 3.674 4.555 . 0 0 "[ . 1 . 2]" 1
697 1 107 ALA H 1 108 ARG H 3.900 . 4.900 3.175 2.585 3.570 . 0 0 "[ . 1 . 2]" 1
698 1 106 LEU HB3 1 108 ARG H 4.500 . 5.500 5.248 4.902 5.508 0.008 13 0 "[ . 1 . 2]" 1
699 1 107 ALA HA 1 108 ARG H 3.100 . 4.100 2.663 2.488 3.014 . 0 0 "[ . 1 . 2]" 1
700 1 107 ALA MB 1 108 ARG H 3.500 . 4.500 3.703 3.575 3.720 . 0 0 "[ . 1 . 2]" 1
701 1 108 ARG H 1 109 GLN H 3.000 . 4.000 2.315 1.917 2.755 . 0 0 "[ . 1 . 2]" 1
702 1 106 LEU H 1 108 ARG H 4.300 . 5.300 4.937 4.295 5.305 0.005 7 0 "[ . 1 . 2]" 1
703 1 69 VAL HB 1 108 ARG HE 5.500 . 6.500 6.524 6.499 6.557 0.057 5 0 "[ . 1 . 2]" 1
704 1 109 GLN H 1 109 GLN HA 2.800 . 3.800 2.842 2.820 2.849 . 0 0 "[ . 1 . 2]" 1
705 1 109 GLN H 1 109 GLN HG2 3.900 . 4.900 3.919 1.905 4.457 . 0 0 "[ . 1 . 2]" 1
706 1 109 GLN H 1 109 GLN HG3 4.000 . 5.000 4.267 2.737 4.631 . 0 0 "[ . 1 . 2]" 1
707 1 109 GLN H 1 110 SER H 4.100 . 4.500 2.539 2.516 2.613 . 0 0 "[ . 1 . 2]" 1
708 1 108 ARG QG 1 109 GLN H 1.800 . 5.900 3.925 2.875 4.602 . 0 0 "[ . 1 . 2]" 1
709 1 106 LEU H 1 109 GLN H 4.900 . 5.900 5.164 4.768 5.839 . 0 0 "[ . 1 . 2]" 1
710 1 106 LEU HB2 1 110 SER H 5.500 . 6.500 6.443 5.978 6.520 0.020 11 0 "[ . 1 . 2]" 1
711 1 109 GLN HA 1 110 SER H 3.100 . 4.100 3.502 3.450 3.512 . 0 0 "[ . 1 . 2]" 1
712 1 109 GLN HG3 1 110 SER H 3.800 . 4.800 4.627 3.118 4.870 0.070 3 0 "[ . 1 . 2]" 1
713 1 110 SER H 1 110 SER HB3 3.000 . 4.000 3.131 2.183 3.628 . 0 0 "[ . 1 . 2]" 1
714 1 111 GLY H 1 111 GLY HA2 3.000 . 4.000 2.844 2.297 2.953 . 0 0 "[ . 1 . 2]" 1
715 1 111 GLY H 1 111 GLY HA3 3.000 . 4.000 2.388 2.295 2.824 . 0 0 "[ . 1 . 2]" 1
716 1 110 SER HA 1 111 GLY H 3.600 . 4.600 3.428 3.251 3.473 . 0 0 "[ . 1 . 2]" 1
717 1 109 GLN H 1 111 GLY H 4.300 . 5.300 3.884 3.578 4.206 . 0 0 "[ . 1 . 2]" 1
718 1 109 GLN HG2 1 111 GLY H 4.300 . 5.300 5.271 4.347 5.437 0.137 11 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 68
_Distance_constraint_stats_list.Viol_count 1340
_Distance_constraint_stats_list.Viol_total 1136.653
_Distance_constraint_stats_list.Viol_max 0.160
_Distance_constraint_stats_list.Viol_rms 0.0277
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0418
_Distance_constraint_stats_list.Viol_average_violations_only 0.0424
_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 12 LYS 1.273 0.087 12 0 "[ . 1 . 2]"
1 13 ASN 0.959 0.053 15 0 "[ . 1 . 2]"
1 14 GLY 2.878 0.135 9 0 "[ . 1 . 2]"
1 15 CYS 1.287 0.088 8 0 "[ . 1 . 2]"
1 16 LEU 3.305 0.099 9 0 "[ . 1 . 2]"
1 17 VAL 3.201 0.139 12 0 "[ . 1 . 2]"
1 18 PHE 2.878 0.135 9 0 "[ . 1 . 2]"
1 19 VAL 2.736 0.088 8 0 "[ . 1 . 2]"
1 20 SER 4.523 0.111 17 0 "[ . 1 . 2]"
1 21 ARG 3.553 0.160 4 0 "[ . 1 . 2]"
1 22 LEU 2.643 0.141 15 0 "[ . 1 . 2]"
1 23 TRP 1.449 0.086 15 0 "[ . 1 . 2]"
1 24 ASP 2.491 0.111 17 0 "[ . 1 . 2]"
1 25 LEU 1.311 0.160 4 0 "[ . 1 . 2]"
1 26 ASP 2.643 0.141 15 0 "[ . 1 . 2]"
1 56 ILE 1.207 0.066 18 0 "[ . 1 . 2]"
1 58 ASP 3.385 0.133 18 0 "[ . 1 . 2]"
1 60 ILE 1.207 0.066 18 0 "[ . 1 . 2]"
1 62 LYS 3.385 0.133 18 0 "[ . 1 . 2]"
1 67 THR 1.321 0.082 17 0 "[ . 1 . 2]"
1 68 ASP 1.901 0.097 18 0 "[ . 1 . 2]"
1 69 VAL 1.348 0.074 16 0 "[ . 1 . 2]"
1 70 ASP 1.663 0.075 6 0 "[ . 1 . 2]"
1 71 VAL 2.032 0.082 17 0 "[ . 1 . 2]"
1 72 GLN 3.595 0.097 18 0 "[ . 1 . 2]"
1 73 ASN 2.862 0.108 18 0 "[ . 1 . 2]"
1 74 ASP 3.672 0.112 3 0 "[ . 1 . 2]"
1 75 VAL 1.944 0.082 5 0 "[ . 1 . 2]"
1 76 ALA 3.636 0.124 11 0 "[ . 1 . 2]"
1 77 ARG 2.484 0.108 18 0 "[ . 1 . 2]"
1 78 MET 3.969 0.112 3 0 "[ . 1 . 2]"
1 79 ILE 2.938 0.103 8 0 "[ . 1 . 2]"
1 80 THR 4.495 0.131 18 0 "[ . 1 . 2]"
1 81 ASN 0.969 0.052 7 0 "[ . 1 . 2]"
1 82 ALA 1.960 0.096 15 0 "[ . 1 . 2]"
1 83 LEU 1.706 0.103 8 0 "[ . 1 . 2]"
1 84 GLU 2.554 0.131 18 0 "[ . 1 . 2]"
1 90 SER 1.393 0.068 14 0 "[ . 1 . 2]"
1 91 THR 1.350 0.059 14 0 "[ . 1 . 2]"
1 92 TRP 1.317 0.110 17 0 "[ . 1 . 2]"
1 93 TYR 1.512 0.071 19 0 "[ . 1 . 2]"
1 94 GLN 1.393 0.068 14 0 "[ . 1 . 2]"
1 95 GLU 2.835 0.063 5 0 "[ . 1 . 2]"
1 96 ALA 3.467 0.110 17 0 "[ . 1 . 2]"
1 97 MET 1.512 0.071 19 0 "[ . 1 . 2]"
1 99 PHE 1.820 0.063 5 0 "[ . 1 . 2]"
1 100 ARG 2.150 0.096 20 0 "[ . 1 . 2]"
1 102 THR 1.611 0.081 8 0 "[ . 1 . 2]"
1 103 TYR 0.335 0.045 11 0 "[ . 1 . 2]"
1 106 LEU 1.611 0.081 8 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 12 LYS O 1 16 LEU H 2.000 . 2.000 2.050 2.025 2.087 0.087 12 0 "[ . 1 . 2]" 2
2 1 12 LYS O 1 16 LEU N 3.000 3.000 3.000 3.003 2.978 3.029 0.029 14 0 "[ . 1 . 2]" 2
3 1 13 ASN O 1 17 VAL H 2.000 . 2.000 2.018 2.000 2.031 0.031 17 0 "[ . 1 . 2]" 2
4 1 13 ASN O 1 17 VAL N 3.000 3.000 3.000 2.970 2.947 2.985 0.053 15 0 "[ . 1 . 2]" 2
5 1 14 GLY O 1 18 PHE H 2.000 . 2.000 2.054 2.031 2.090 0.090 12 0 "[ . 1 . 2]" 2
6 1 14 GLY O 1 18 PHE N 3.000 3.000 3.000 2.910 2.865 2.958 0.135 9 0 "[ . 1 . 2]" 2
7 1 15 CYS O 1 19 VAL H 2.000 . 2.000 2.042 2.012 2.088 0.088 8 0 "[ . 1 . 2]" 2
8 1 15 CYS O 1 19 VAL N 3.000 3.000 3.000 3.012 2.970 3.054 0.054 8 0 "[ . 1 . 2]" 2
9 1 16 LEU O 1 20 SER H 2.000 . 2.000 2.039 1.993 2.085 0.085 8 0 "[ . 1 . 2]" 2
10 1 16 LEU O 1 20 SER N 3.000 3.000 3.000 2.938 2.901 2.979 0.099 9 0 "[ . 1 . 2]" 2
11 1 17 VAL O 1 21 ARG H 2.000 . 2.000 1.973 1.938 2.000 0.062 17 0 "[ . 1 . 2]" 2
12 1 17 VAL O 1 21 ARG N 3.000 3.000 3.000 2.914 2.861 2.952 0.139 12 0 "[ . 1 . 2]" 2
13 1 19 VAL O 1 23 TRP H 2.000 . 2.000 2.042 2.016 2.065 0.065 8 0 "[ . 1 . 2]" 2
14 1 19 VAL O 1 23 TRP N 3.000 3.000 3.000 2.973 2.914 3.020 0.086 15 0 "[ . 1 . 2]" 2
15 1 20 SER O 1 24 ASP H 2.500 2.500 2.500 2.552 2.508 2.579 0.079 15 0 "[ . 1 . 2]" 2
16 1 20 SER O 1 24 ASP N 3.500 3.500 3.500 3.427 3.389 3.468 0.111 17 0 "[ . 1 . 2]" 2
17 1 21 ARG O 1 25 LEU H 2.000 . 2.000 2.001 1.956 2.155 0.155 4 0 "[ . 1 . 2]" 2
18 1 21 ARG O 1 25 LEU N 3.000 3.000 3.000 2.954 2.840 2.983 0.160 4 0 "[ . 1 . 2]" 2
19 1 22 LEU O 1 26 ASP H 2.000 . 2.000 2.052 1.992 2.102 0.102 9 0 "[ . 1 . 2]" 2
20 1 22 LEU O 1 26 ASP N 3.000 3.000 3.000 2.921 2.859 2.998 0.141 15 0 "[ . 1 . 2]" 2
21 1 56 ILE O 1 60 ILE H 2.000 . 2.000 2.048 2.023 2.066 0.066 18 0 "[ . 1 . 2]" 2
22 1 56 ILE O 1 60 ILE N 3.000 3.000 3.000 3.005 2.969 3.035 0.035 1 0 "[ . 1 . 2]" 2
23 1 58 ASP O 1 62 LYS H 2.000 . 2.000 2.081 2.034 2.133 0.133 18 0 "[ . 1 . 2]" 2
24 1 58 ASP O 1 62 LYS N 3.000 3.000 3.000 2.912 2.872 2.968 0.128 16 0 "[ . 1 . 2]" 2
25 1 67 THR O 1 71 VAL H 2.000 . 2.000 2.053 2.028 2.082 0.082 17 0 "[ . 1 . 2]" 2
26 1 67 THR O 1 71 VAL N 3.000 3.000 3.000 3.006 2.980 3.041 0.041 17 0 "[ . 1 . 2]" 2
27 1 68 ASP O 1 72 GLN H 2.000 . 2.000 2.038 2.020 2.058 0.058 16 0 "[ . 1 . 2]" 2
28 1 68 ASP O 1 72 GLN N 3.000 3.000 3.000 2.943 2.903 2.967 0.097 18 0 "[ . 1 . 2]" 2
29 1 69 VAL O 1 73 ASN H 2.000 . 2.000 2.045 2.017 2.074 0.074 16 0 "[ . 1 . 2]" 2
30 1 69 VAL O 1 73 ASN N 3.000 3.000 3.000 2.988 2.946 3.035 0.054 6 0 "[ . 1 . 2]" 2
31 1 70 ASP O 1 74 ASP H 2.000 . 2.000 2.050 2.033 2.075 0.075 6 0 "[ . 1 . 2]" 2
32 1 70 ASP O 1 74 ASP N 3.000 3.000 3.000 2.967 2.942 3.004 0.058 3 0 "[ . 1 . 2]" 2
33 1 71 VAL O 1 75 VAL H 2.000 . 2.000 2.004 1.985 2.030 0.030 16 0 "[ . 1 . 2]" 2
34 1 71 VAL O 1 75 VAL N 3.000 3.000 3.000 2.972 2.934 2.999 0.066 8 0 "[ . 1 . 2]" 2
35 1 72 GLN O 1 76 ALA H 2.000 . 2.000 2.054 2.030 2.078 0.078 12 0 "[ . 1 . 2]" 2
36 1 72 GLN O 1 76 ALA N 3.000 3.000 3.000 2.969 2.941 2.996 0.059 17 0 "[ . 1 . 2]" 2
37 1 73 ASN O 1 77 ARG H 2.000 . 2.000 2.059 2.030 2.108 0.108 18 0 "[ . 1 . 2]" 2
38 1 73 ASN O 1 77 ARG N 3.000 3.000 3.000 2.993 2.940 3.030 0.060 17 0 "[ . 1 . 2]" 2
39 1 74 ASP O 1 78 MET H 2.000 . 2.000 2.077 2.040 2.112 0.112 3 0 "[ . 1 . 2]" 2
40 1 74 ASP O 1 78 MET N 3.000 3.000 3.000 2.992 2.947 3.065 0.065 20 0 "[ . 1 . 2]" 2
41 1 75 VAL O 1 79 ILE H 2.000 . 2.000 2.028 1.997 2.079 0.079 16 0 "[ . 1 . 2]" 2
42 1 75 VAL O 1 79 ILE N 3.000 3.000 3.000 2.968 2.918 3.011 0.082 5 0 "[ . 1 . 2]" 2
43 1 76 ALA O 1 80 THR H 2.000 . 2.000 2.076 2.044 2.124 0.124 11 0 "[ . 1 . 2]" 2
44 1 76 ALA O 1 80 THR N 3.000 3.000 3.000 2.993 2.942 3.023 0.058 17 0 "[ . 1 . 2]" 2
45 1 77 ARG O 1 81 ASN H 2.000 . 2.000 2.023 2.001 2.052 0.052 7 0 "[ . 1 . 2]" 2
46 1 77 ARG O 1 81 ASN N 3.000 3.000 3.000 2.976 2.956 3.013 0.044 13 0 "[ . 1 . 2]" 2
47 1 78 MET O 1 82 ALA H 2.000 . 2.000 2.042 1.979 2.072 0.072 7 0 "[ . 1 . 2]" 2
48 1 78 MET O 1 82 ALA N 3.000 3.000 3.000 2.946 2.904 2.997 0.096 15 0 "[ . 1 . 2]" 2
49 1 79 ILE O 1 83 LEU H 2.000 . 2.000 2.027 1.998 2.062 0.062 20 0 "[ . 1 . 2]" 2
50 1 79 ILE O 1 83 LEU N 3.000 3.000 3.000 2.942 2.897 2.994 0.103 8 0 "[ . 1 . 2]" 2
51 1 80 THR O 1 84 GLU H 2.000 . 2.000 2.077 2.041 2.128 0.128 10 0 "[ . 1 . 2]" 2
52 1 80 THR O 1 84 GLU N 3.000 3.000 3.000 2.950 2.869 3.002 0.131 18 0 "[ . 1 . 2]" 2
53 1 90 SER O 1 94 GLN H 2.500 2.500 2.500 2.526 2.489 2.560 0.060 10 0 "[ . 1 . 2]" 2
54 1 90 SER O 1 94 GLN N 3.500 3.500 3.500 3.458 3.432 3.477 0.068 14 0 "[ . 1 . 2]" 2
55 1 91 THR O 1 95 GLU H 2.000 . 2.000 2.028 1.996 2.050 0.050 14 0 "[ . 1 . 2]" 2
56 1 91 THR O 1 95 GLU N 3.000 3.000 3.000 2.961 2.941 2.989 0.059 14 0 "[ . 1 . 2]" 2
57 1 92 TRP O 1 96 ALA H 2.000 . 2.000 2.027 2.018 2.044 0.044 10 0 "[ . 1 . 2]" 2
58 1 92 TRP O 1 96 ALA N 3.000 3.000 3.000 2.961 2.890 2.990 0.110 17 0 "[ . 1 . 2]" 2
59 1 93 TYR O 1 97 MET H 2.000 . 2.000 2.028 1.993 2.047 0.047 19 0 "[ . 1 . 2]" 2
60 1 93 TYR O 1 97 MET N 3.000 3.000 3.000 2.953 2.929 2.972 0.071 19 0 "[ . 1 . 2]" 2
61 1 95 GLU O 1 99 PHE H 2.000 . 2.000 2.034 2.021 2.049 0.049 15 0 "[ . 1 . 2]" 2
62 1 95 GLU O 1 99 PHE N 3.000 3.000 3.000 2.960 2.937 2.979 0.063 5 0 "[ . 1 . 2]" 2
63 1 96 ALA O 1 100 ARG H 2.000 . 2.000 2.041 2.014 2.068 0.068 16 0 "[ . 1 . 2]" 2
64 1 96 ALA O 1 100 ARG N 3.000 3.000 3.000 2.933 2.904 2.958 0.096 20 0 "[ . 1 . 2]" 2
65 1 99 PHE O 1 103 TYR H 2.000 . 2.000 2.009 1.978 2.045 0.045 11 0 "[ . 1 . 2]" 2
66 1 99 PHE O 1 103 TYR N 2.000 . 4.000 2.719 2.688 2.816 . 0 0 "[ . 1 . 2]" 2
67 1 102 THR O 1 106 LEU H 2.000 . 2.000 2.037 2.009 2.081 0.081 8 0 "[ . 1 . 2]" 2
68 1 102 THR O 1 106 LEU N 3.000 3.000 3.000 2.957 2.933 2.987 0.067 17 0 "[ . 1 . 2]" 2
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save_
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