NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
371040 |
1c7w   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1c7w
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 826
_Distance_constraint_stats_list.Viol_count 235
_Distance_constraint_stats_list.Viol_total 54.710
_Distance_constraint_stats_list.Viol_max 1.831
_Distance_constraint_stats_list.Viol_rms 0.2011
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0662
_Distance_constraint_stats_list.Viol_average_violations_only 0.2328
_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 7 GLU 0.081 0.044 1 0 "[ ]"
1 8 GLU 0.495 0.306 1 0 "[ ]"
1 9 GLU 0.599 0.306 1 0 "[ ]"
1 10 ILE 2.929 0.971 1 1 [+]
1 11 LEU 0.130 0.130 1 0 "[ ]"
1 12 ARG 0.279 0.130 1 0 "[ ]"
1 13 ALA 1.402 1.061 1 1 [+]
1 14 PHE 2.106 0.489 1 0 "[ ]"
1 15 LYS 0.682 0.305 1 0 "[ ]"
1 16 VAL 2.601 1.061 1 1 [+]
1 17 PHE 2.739 0.667 1 1 [+]
1 18 ASP 0.380 0.197 1 0 "[ ]"
1 19 ALA 0.618 0.597 1 1 [+]
1 20 ASN 0.626 0.182 1 0 "[ ]"
1 21 GLY 0.171 0.118 1 0 "[ ]"
1 22 ASP 0.169 0.077 1 0 "[ ]"
1 23 GLY 0.610 0.489 1 0 "[ ]"
1 24 VAL 4.011 1.831 1 1 [+]
1 25 ILE 3.531 0.636 1 1 [+]
1 26 ASP 2.073 0.726 1 1 [+]
1 27 PHE 2.436 1.073 1 1 [+]
1 28 ASP 0.440 0.183 1 0 "[ ]"
1 29 GLU 0.129 0.117 1 0 "[ ]"
1 30 PHE 4.807 1.720 1 1 [+]
1 31 LYS 0.722 0.313 1 0 "[ ]"
1 32 PHE 0.372 0.313 1 0 "[ ]"
1 33 ILE 2.225 0.778 1 1 [+]
1 34 MET 1.087 0.280 1 0 "[ ]"
1 35 GLN 1.199 0.417 1 0 "[ ]"
1 36 LYS 1.136 0.777 1 1 [+]
1 37 VAL 0.171 0.088 1 0 "[ ]"
1 38 GLY 0.227 0.130 1 0 "[ ]"
1 39 GLU 0.119 0.062 1 0 "[ ]"
1 40 GLU 2.509 1.437 1 1 [+]
1 41 PRO 0.982 0.982 1 1 [+]
1 42 LEU 1.475 1.437 1 1 [+]
1 43 THR 0.821 0.350 1 0 "[ ]"
1 44 ASP 2.390 1.471 1 1 [+]
1 45 ALA 1.041 0.350 1 0 "[ ]"
1 46 GLU 0.360 0.114 1 0 "[ ]"
1 47 VAL 7.485 1.720 1 1 [+]
1 48 GLU 1.069 0.946 1 1 [+]
1 49 GLU 0.989 0.895 1 1 [+]
1 50 ALA 0.345 0.217 1 0 "[ ]"
1 51 MET 4.003 1.073 1 1 [+]
1 52 LYS 1.066 0.895 1 1 [+]
1 53 GLU 0.095 0.060 1 0 "[ ]"
1 54 ALA 1.659 0.887 1 1 [+]
1 55 ASP 1.182 0.916 1 1 [+]
1 56 GLU 0.556 0.271 1 0 "[ ]"
1 57 ASP 0.264 0.127 1 0 "[ ]"
1 58 GLY 0.130 0.082 1 0 "[ ]"
1 59 ASN 1.397 1.037 1 1 [+]
1 60 GLY 0.031 0.031 1 0 "[ ]"
1 61 VAL 5.563 1.831 1 1 [+]
1 62 ILE 5.342 0.956 1 1 [+]
1 63 ASP 2.153 0.656 1 1 [+]
1 64 ILE 2.229 0.706 1 1 [+]
1 65 PRO 0.203 0.103 1 0 "[ ]"
1 66 GLU 0.194 0.066 1 0 "[ ]"
1 67 PHE 3.298 1.111 1 1 [+]
1 68 MET 4.946 1.111 1 1 [+]
1 69 ASP 0.338 0.133 1 0 "[ ]"
1 70 LEU 2.288 1.091 1 1 [+]
1 71 ILE 0.653 0.456 1 0 "[ ]"
1 72 LYS 0.136 0.070 1 0 "[ ]"
1 73 LYS 0.124 0.124 1 0 "[ ]"
1 74 SER 0.124 0.124 1 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 57 ASP H 1 58 GLY H 2.900 . 2.900 2.357 2.357 2.357 . 0 0 "[ ]" 1
2 1 58 GLY H 1 59 ASN H 2.900 . 2.900 2.917 2.917 2.917 0.017 1 0 "[ ]" 1
3 1 57 ASP HA 1 58 GLY H 3.700 2.900 3.700 3.442 3.442 3.442 . 0 0 "[ ]" 1
4 1 58 GLY H 1 58 GLY HA3 2.900 . 2.900 2.929 2.929 2.929 0.029 1 0 "[ ]" 1
5 1 58 GLY H 1 58 GLY HA2 2.900 . 2.900 2.332 2.332 2.332 . 0 0 "[ ]" 1
6 1 56 GLU QB 1 58 GLY H 5.000 3.700 6.000 5.058 5.058 5.058 . 0 0 "[ ]" 1
7 1 57 ASP HB3 1 58 GLY H 5.000 3.700 5.000 3.618 3.618 3.618 0.082 1 0 "[ ]" 1
8 1 57 ASP HB2 1 58 GLY H 5.000 3.700 5.000 4.516 4.516 4.516 . 0 0 "[ ]" 1
9 1 58 GLY H 1 60 GLY H 5.000 3.700 5.000 3.989 3.989 3.989 . 0 0 "[ ]" 1
10 1 60 GLY H 1 61 VAL H 2.900 . 2.900 2.243 2.243 2.243 . 0 0 "[ ]" 1
11 1 61 VAL H 1 62 ILE H 5.000 3.700 5.000 4.309 4.309 4.309 . 0 0 "[ ]" 1
12 1 59 ASN H 1 61 VAL H 5.000 3.700 5.000 4.372 4.372 4.372 . 0 0 "[ ]" 1
13 1 61 VAL H 1 61 VAL HA 3.700 2.900 3.700 2.953 2.953 2.953 . 0 0 "[ ]" 1
14 1 60 GLY HA3 1 61 VAL H 3.700 2.900 3.700 3.481 3.481 3.481 . 0 0 "[ ]" 1
15 1 60 GLY HA2 1 61 VAL H 3.700 2.900 3.700 2.980 2.980 2.980 . 0 0 "[ ]" 1
16 1 61 VAL H 1 61 VAL HB 5.000 3.700 5.000 3.539 3.539 3.539 0.161 1 0 "[ ]" 1
17 1 61 VAL H 1 61 VAL QG 3.700 2.900 3.900 2.776 2.776 2.776 0.124 1 0 "[ ]" 1
18 1 21 GLY H 1 22 ASP H 3.700 2.900 3.700 3.052 3.052 3.052 . 0 0 "[ ]" 1
19 1 20 ASN H 1 21 GLY H 3.700 2.900 3.700 2.888 2.888 2.888 0.012 1 0 "[ ]" 1
20 1 20 ASN HA 1 21 GLY H 3.700 2.900 3.700 3.512 3.512 3.512 . 0 0 "[ ]" 1
21 1 20 ASN HB3 1 21 GLY H 5.000 3.700 5.000 3.582 3.582 3.582 0.118 1 0 "[ ]" 1
22 1 20 ASN HB2 1 21 GLY H 5.000 3.700 5.000 4.503 4.503 4.503 . 0 0 "[ ]" 1
23 1 19 ALA MB 1 21 GLY H 5.000 3.700 6.000 4.469 4.469 4.469 . 0 0 "[ ]" 1
24 1 37 VAL H 1 38 GLY H 5.000 3.700 5.000 3.617 3.617 3.617 0.083 1 0 "[ ]" 1
25 1 37 VAL HA 1 38 GLY H 2.900 . 2.900 2.243 2.243 2.243 . 0 0 "[ ]" 1
26 1 37 VAL HB 1 38 GLY H 5.000 3.700 5.000 4.523 4.523 4.523 . 0 0 "[ ]" 1
27 1 38 GLY H 1 38 GLY HA3 2.900 . 2.900 3.030 3.030 3.030 0.130 1 0 "[ ]" 1
28 1 38 GLY H 1 38 GLY HA2 2.900 . 2.900 2.568 2.568 2.568 . 0 0 "[ ]" 1
29 1 23 GLY H 1 24 VAL H 2.900 . 2.900 2.238 2.238 2.238 . 0 0 "[ ]" 1
30 1 24 VAL H 1 25 ILE H 5.000 4.000 5.000 4.197 4.197 4.197 . 0 0 "[ ]" 1
31 1 22 ASP H 1 24 VAL H 3.700 2.900 3.700 3.730 3.730 3.730 0.030 1 0 "[ ]" 1
32 1 24 VAL H 1 24 VAL HA 2.900 . 2.900 2.972 2.972 2.972 0.072 1 0 "[ ]" 1
33 1 23 GLY HA3 1 24 VAL H 3.700 2.900 3.700 3.521 3.521 3.521 . 0 0 "[ ]" 1
34 1 23 GLY HA2 1 24 VAL H 3.700 2.900 3.700 3.144 3.144 3.144 . 0 0 "[ ]" 1
35 1 24 VAL H 1 24 VAL HB 3.700 2.900 3.700 2.880 2.880 2.880 0.020 1 0 "[ ]" 1
36 1 24 VAL H 1 24 VAL QG 3.700 3.700 4.700 3.011 3.011 3.011 0.689 1 1 [+] 1
37 1 35 GLN HE21 1 35 GLN QG 3.900 2.900 4.900 2.483 2.483 2.483 0.417 1 0 "[ ]" 1
38 1 35 GLN HE22 1 35 GLN QG 4.500 3.000 5.500 3.446 3.446 3.446 . 0 0 "[ ]" 1
39 1 35 GLN QB 1 35 GLN HE21 5.000 3.700 6.000 4.099 4.099 4.099 . 0 0 "[ ]" 1
40 1 35 GLN QB 1 35 GLN HE22 5.000 3.700 6.000 4.469 4.469 4.469 . 0 0 "[ ]" 1
41 1 35 GLN HE21 1 47 VAL QG 5.000 3.700 6.000 4.012 4.012 4.012 . 0 0 "[ ]" 1
42 1 35 GLN HE22 1 47 VAL QG 5.000 3.700 6.000 4.661 4.661 4.661 . 0 0 "[ ]" 1
43 1 19 ALA H 1 20 ASN H 3.700 2.900 3.700 2.878 2.878 2.878 0.022 1 0 "[ ]" 1
44 1 20 ASN H 1 20 ASN HA 2.900 . 2.900 2.961 2.961 2.961 0.061 1 0 "[ ]" 1
45 1 18 ASP HA 1 20 ASN H 5.000 3.700 5.000 4.149 4.149 4.149 . 0 0 "[ ]" 1
46 1 19 ALA HA 1 20 ASN H 3.700 2.900 3.700 3.454 3.454 3.454 . 0 0 "[ ]" 1
47 1 20 ASN H 1 20 ASN HB3 3.700 2.900 3.700 2.718 2.718 2.718 0.182 1 0 "[ ]" 1
48 1 20 ASN H 1 20 ASN HB2 3.700 2.900 3.700 2.810 2.810 2.810 0.090 1 0 "[ ]" 1
49 1 19 ALA MB 1 20 ASN H 2.900 . 3.900 2.331 2.331 2.331 . 0 0 "[ ]" 1
50 1 20 ASN HB3 1 20 ASN HD21 5.000 2.900 5.000 3.765 3.765 3.765 . 0 0 "[ ]" 1
51 1 20 ASN HB3 1 20 ASN HD22 5.000 3.300 5.000 3.980 3.980 3.980 . 0 0 "[ ]" 1
52 1 20 ASN HB2 1 20 ASN HD21 5.000 2.900 5.000 3.073 3.073 3.073 . 0 0 "[ ]" 1
53 1 20 ASN HB2 1 20 ASN HD22 5.000 3.300 5.000 3.751 3.751 3.751 . 0 0 "[ ]" 1
54 1 22 ASP H 1 23 GLY H 2.900 . 2.900 2.501 2.501 2.501 . 0 0 "[ ]" 1
55 1 22 ASP HA 1 23 GLY H 3.700 2.900 3.700 3.390 3.390 3.390 . 0 0 "[ ]" 1
56 1 23 GLY H 1 23 GLY HA3 2.900 . 2.900 3.021 3.021 3.021 0.121 1 0 "[ ]" 1
57 1 21 GLY HA3 1 23 GLY H 6.733 . 6.733 4.741 4.741 4.741 . 0 0 "[ ]" 1
58 1 23 GLY H 1 23 GLY HA2 2.900 . 2.900 2.437 2.437 2.437 . 0 0 "[ ]" 1
59 1 59 ASN H 1 60 GLY H 3.700 2.900 3.700 2.869 2.869 2.869 0.031 1 0 "[ ]" 1
60 1 59 ASN HA 1 60 GLY H 4.700 3.400 4.700 3.558 3.558 3.558 . 0 0 "[ ]" 1
61 1 58 GLY HA2 1 60 GLY H 6.716 . 6.716 4.064 4.064 4.064 . 0 0 "[ ]" 1
62 1 42 LEU H 1 43 THR H 5.000 3.700 5.000 4.583 4.583 4.583 . 0 0 "[ ]" 1
63 1 43 THR H 1 43 THR HB 3.700 2.900 3.700 3.747 3.747 3.747 0.047 1 0 "[ ]" 1
64 1 43 THR H 1 43 THR HA 3.700 2.900 3.700 3.004 3.004 3.004 . 0 0 "[ ]" 1
65 1 43 THR H 1 43 THR MG 2.900 . 3.900 3.183 3.183 3.183 . 0 0 "[ ]" 1
66 1 42 LEU MD1 1 43 THR H 3.700 2.900 4.700 4.417 4.417 4.417 . 0 0 "[ ]" 1
67 1 57 ASP H 1 57 ASP HA 3.700 2.900 3.700 3.037 3.037 3.037 . 0 0 "[ ]" 1
68 1 55 ASP HA 1 57 ASP H 5.000 3.700 5.000 3.707 3.707 3.707 . 0 0 "[ ]" 1
69 1 56 GLU HA 1 57 ASP H 3.700 2.900 3.700 3.446 3.446 3.446 . 0 0 "[ ]" 1
70 1 57 ASP H 1 58 GLY HA2 6.716 . 6.716 4.663 4.663 4.663 . 0 0 "[ ]" 1
71 1 57 ASP H 1 57 ASP HB3 3.700 . 3.700 2.442 2.442 2.442 . 0 0 "[ ]" 1
72 1 57 ASP H 1 57 ASP HB2 3.700 . 3.700 3.078 3.078 3.078 . 0 0 "[ ]" 1
73 1 56 GLU HG2 1 57 ASP H 5.000 3.700 5.000 5.041 5.041 5.041 0.041 1 0 "[ ]" 1
74 1 56 GLU QB 1 57 ASP H 2.900 . 3.900 3.252 3.252 3.252 . 0 0 "[ ]" 1
75 1 33 ILE H 1 34 MET H 3.000 2.600 3.000 2.586 2.586 2.586 0.014 1 0 "[ ]" 1
76 1 34 MET H 1 35 GLN H 2.900 . 2.900 3.073 3.073 3.073 0.173 1 0 "[ ]" 1
77 1 34 MET H 1 34 MET HA 3.700 2.900 3.700 2.760 2.760 2.760 0.140 1 0 "[ ]" 1
78 1 33 ILE HA 1 34 MET H 3.700 3.300 3.700 3.238 3.238 3.238 0.062 1 0 "[ ]" 1
79 1 33 ILE HB 1 34 MET H 3.700 2.900 3.700 3.913 3.913 3.913 0.213 1 0 "[ ]" 1
80 1 33 ILE HG13 1 34 MET H 5.000 2.900 5.000 5.038 5.038 5.038 0.038 1 0 "[ ]" 1
81 1 33 ILE HG12 1 34 MET H 5.000 2.900 5.000 4.822 4.822 4.822 . 0 0 "[ ]" 1
82 1 14 PHE H 1 15 LYS H 3.000 2.600 3.000 2.625 2.625 2.625 . 0 0 "[ ]" 1
83 1 15 LYS H 1 16 VAL H 3.000 2.600 3.000 2.623 2.623 2.623 . 0 0 "[ ]" 1
84 1 14 PHE QD 1 15 LYS H 3.700 2.900 5.700 3.706 3.706 3.706 . 0 0 "[ ]" 1
85 1 13 ALA HA 1 15 LYS H 4.600 4.200 4.600 4.675 4.675 4.675 0.075 1 0 "[ ]" 1
86 1 15 LYS H 1 15 LYS HA 2.900 . 2.900 2.997 2.997 2.997 0.097 1 0 "[ ]" 1
87 1 14 PHE HB3 1 15 LYS H 3.700 . 3.700 2.745 2.745 2.745 . 0 0 "[ ]" 1
88 1 14 PHE HA 1 15 LYS H 3.700 3.300 3.700 3.501 3.501 3.501 . 0 0 "[ ]" 1
89 1 14 PHE HB2 1 15 LYS H 3.700 . 3.700 3.829 3.829 3.829 0.129 1 0 "[ ]" 1
90 1 15 LYS H 1 15 LYS HD3 6.740 . 6.740 5.289 5.289 5.289 . 0 0 "[ ]" 1
91 1 15 LYS H 1 15 LYS QG 3.700 2.900 4.700 2.595 2.595 2.595 0.305 1 0 "[ ]" 1
92 1 15 LYS H 1 16 VAL QG 5.000 3.700 6.000 4.645 4.645 4.645 . 0 0 "[ ]" 1
93 1 59 ASN HB3 1 59 ASN QD . 2.900 3.700 2.852 2.852 2.852 0.048 1 0 "[ ]" 1
94 1 59 ASN HB2 1 59 ASN QD . 2.900 3.700 2.638 2.638 2.638 0.262 1 0 "[ ]" 1
95 1 59 ASN QD 1 61 VAL QG 5.000 3.700 6.000 2.663 2.663 2.663 1.037 1 1 [+] 1
96 1 73 LYS H 1 73 LYS HA 2.900 . 2.900 2.674 2.674 2.674 . 0 0 "[ ]" 1
97 1 72 LYS QB 1 73 LYS H 3.700 2.900 4.700 3.972 3.972 3.972 . 0 0 "[ ]" 1
98 1 71 ILE HA 1 73 LYS H 4.600 4.200 4.600 4.537 4.537 4.537 . 0 0 "[ ]" 1
99 1 73 LYS H 1 74 SER H 3.000 2.600 3.000 3.124 3.124 3.124 0.124 1 0 "[ ]" 1
100 1 51 MET H 1 53 GLU H 4.400 4.000 4.400 4.297 4.297 4.297 . 0 0 "[ ]" 1
101 1 52 LYS H 1 53 GLU H 3.000 2.600 3.000 2.826 2.826 2.826 . 0 0 "[ ]" 1
102 1 53 GLU H 1 54 ALA H 3.000 2.600 3.000 2.804 2.804 2.804 . 0 0 "[ ]" 1
103 1 52 LYS HA 1 53 GLU H 3.700 3.300 3.700 3.602 3.602 3.602 . 0 0 "[ ]" 1
104 1 53 GLU H 1 53 GLU HA 2.900 . 2.900 2.901 2.901 2.901 0.001 1 0 "[ ]" 1
105 1 51 MET HA 1 53 GLU H 4.600 4.200 4.600 4.341 4.341 4.341 . 0 0 "[ ]" 1
106 1 53 GLU H 1 53 GLU HG3 5.450 . 5.450 2.497 2.497 2.497 . 0 0 "[ ]" 1
107 1 53 GLU H 1 53 GLU HB3 3.700 . 3.700 3.644 3.644 3.644 . 0 0 "[ ]" 1
108 1 53 GLU H 1 53 GLU HB2 3.700 . 3.700 2.490 2.490 2.490 . 0 0 "[ ]" 1
109 1 52 LYS QB 1 53 GLU H 2.900 . 3.900 2.463 2.463 2.463 . 0 0 "[ ]" 1
110 1 53 GLU H 1 54 ALA MB 5.000 3.700 6.000 4.514 4.514 4.514 . 0 0 "[ ]" 1
111 1 63 ASP HA 1 64 ILE H 2.900 . 2.900 2.383 2.383 2.383 . 0 0 "[ ]" 1
112 1 64 ILE H 1 65 PRO HD3 5.455 . 5.455 2.954 2.954 2.954 . 0 0 "[ ]" 1
113 1 64 ILE H 1 64 ILE HA 2.900 . 2.900 2.709 2.709 2.709 . 0 0 "[ ]" 1
114 1 63 ASP HB3 1 64 ILE H 3.700 2.900 3.700 3.885 3.885 3.885 0.185 1 0 "[ ]" 1
115 1 63 ASP HB2 1 64 ILE H 3.700 2.900 3.700 2.751 2.751 2.751 0.149 1 0 "[ ]" 1
116 1 64 ILE H 1 64 ILE HB 2.900 . 2.900 2.901 2.901 2.901 0.001 1 0 "[ ]" 1
117 1 64 ILE H 1 64 ILE HG13 3.700 . 3.700 2.115 2.115 2.115 . 0 0 "[ ]" 1
118 1 64 ILE H 1 64 ILE MG 3.700 2.900 4.700 4.003 4.003 4.003 . 0 0 "[ ]" 1
119 1 64 ILE H 1 64 ILE MD 3.700 2.900 4.700 3.153 3.153 3.153 . 0 0 "[ ]" 1
120 1 64 ILE H 1 64 ILE HG12 3.700 . 3.700 3.660 3.660 3.660 . 0 0 "[ ]" 1
121 1 35 GLN H 1 35 GLN HA 2.900 . 2.900 2.974 2.974 2.974 0.074 1 0 "[ ]" 1
122 1 34 MET HA 1 35 GLN H 3.700 2.900 3.700 3.293 3.293 3.293 . 0 0 "[ ]" 1
123 1 33 ILE HA 1 35 GLN H 5.000 3.700 5.000 3.681 3.681 3.681 0.019 1 0 "[ ]" 1
124 1 35 GLN H 1 35 GLN QG 3.700 2.900 4.700 3.264 3.264 3.264 . 0 0 "[ ]" 1
125 1 33 ILE H 1 35 GLN H 5.000 3.700 5.000 5.082 5.082 5.082 0.082 1 0 "[ ]" 1
126 1 35 GLN H 1 35 GLN QB 2.900 . 3.900 3.089 3.089 3.089 . 0 0 "[ ]" 1
127 1 34 MET HG2 1 35 GLN H 3.700 2.900 3.700 2.863 2.863 2.863 0.037 1 0 "[ ]" 1
128 1 34 MET HG3 1 35 GLN H 3.700 2.900 3.700 3.480 3.480 3.480 . 0 0 "[ ]" 1
129 1 32 PHE H 1 32 PHE HA 3.700 2.900 3.700 2.869 2.869 2.869 0.031 1 0 "[ ]" 1
130 1 32 PHE H 1 32 PHE HB2 2.900 . 2.900 2.661 2.661 2.661 . 0 0 "[ ]" 1
131 1 32 PHE H 1 32 PHE HB3 2.900 . 2.900 2.406 2.406 2.406 . 0 0 "[ ]" 1
132 1 31 LYS QB 1 32 PHE H 3.700 2.900 4.700 2.587 2.587 2.587 0.313 1 0 "[ ]" 1
133 1 31 LYS HA 1 32 PHE H 3.700 3.300 3.700 3.583 3.583 3.583 . 0 0 "[ ]" 1
134 1 31 LYS QG 1 32 PHE H 3.700 2.900 4.700 4.172 4.172 4.172 . 0 0 "[ ]" 1
135 1 17 PHE H 1 18 ASP H 3.700 2.900 3.700 3.091 3.091 3.091 . 0 0 "[ ]" 1
136 1 17 PHE H 1 17 PHE HA 2.900 . 2.900 2.793 2.793 2.793 . 0 0 "[ ]" 1
137 1 15 LYS HA 1 17 PHE H 4.600 4.200 4.600 4.505 4.505 4.505 . 0 0 "[ ]" 1
138 1 16 VAL HA 1 17 PHE H 3.700 3.300 3.700 3.585 3.585 3.585 . 0 0 "[ ]" 1
139 1 16 VAL H 1 17 PHE H 3.000 2.600 3.000 2.594 2.594 2.594 0.006 1 0 "[ ]" 1
140 1 14 PHE HA 1 17 PHE H 3.600 3.200 3.600 3.374 3.374 3.374 . 0 0 "[ ]" 1
141 1 17 PHE H 1 17 PHE QB 2.900 . 2.900 2.168 2.168 2.168 . 0 0 "[ ]" 1
142 1 16 VAL QG 1 17 PHE H 3.700 2.900 4.700 2.233 2.233 2.233 0.667 1 1 [+] 1
143 1 17 PHE H 1 25 ILE MD 5.000 3.700 6.000 4.568 4.568 4.568 . 0 0 "[ ]" 1
144 1 16 VAL HB 1 17 PHE H 3.700 2.900 3.700 3.714 3.714 3.714 0.014 1 0 "[ ]" 1
145 1 66 GLU H 1 67 PHE H 3.000 2.600 3.000 2.968 2.968 2.968 . 0 0 "[ ]" 1
146 1 63 ASP H 1 66 GLU H 5.000 3.700 5.000 3.789 3.789 3.789 . 0 0 "[ ]" 1
147 1 65 PRO HA 1 66 GLU H 3.700 3.300 3.700 3.598 3.598 3.598 . 0 0 "[ ]" 1
148 1 66 GLU H 1 66 GLU HA 2.900 . 2.900 2.861 2.861 2.861 . 0 0 "[ ]" 1
149 1 64 ILE HA 1 66 GLU H 4.600 4.200 4.600 4.423 4.423 4.423 . 0 0 "[ ]" 1
150 1 65 PRO HD3 1 66 GLU H 5.000 2.900 5.000 4.394 4.394 4.394 . 0 0 "[ ]" 1
151 1 65 PRO HD2 1 66 GLU H 5.000 2.900 5.000 3.119 3.119 3.119 . 0 0 "[ ]" 1
152 1 63 ASP HB3 1 66 GLU H 6.705 . 6.705 5.448 5.448 5.448 . 0 0 "[ ]" 1
153 1 66 GLU H 1 66 GLU HG3 3.700 . 3.700 2.608 2.608 2.608 . 0 0 "[ ]" 1
154 1 66 GLU H 1 66 GLU HG2 3.700 . 3.700 3.744 3.744 3.744 0.044 1 0 "[ ]" 1
155 1 62 ILE MG 1 66 GLU H 3.700 2.900 4.700 3.759 3.759 3.759 . 0 0 "[ ]" 1
156 1 65 PRO HB3 1 66 GLU H 4.692 . 4.692 4.060 4.060 4.060 . 0 0 "[ ]" 1
157 1 67 PHE H 1 68 MET H 3.000 2.600 3.000 2.989 2.989 2.989 . 0 0 "[ ]" 1
158 1 66 GLU H 1 68 MET H 4.400 4.000 4.400 4.410 4.410 4.410 0.010 1 0 "[ ]" 1
159 1 68 MET H 1 70 LEU H 4.400 4.000 4.400 4.328 4.328 4.328 . 0 0 "[ ]" 1
160 1 68 MET H 1 69 ASP H 3.000 2.600 3.000 2.831 2.831 2.831 . 0 0 "[ ]" 1
161 1 67 PHE QD 1 68 MET H 5.000 3.700 7.000 2.589 2.589 2.589 1.111 1 1 [+] 1
162 1 67 PHE HA 1 68 MET H 3.700 3.300 3.700 3.548 3.548 3.548 . 0 0 "[ ]" 1
163 1 68 MET H 1 68 MET HA 3.700 2.900 3.700 2.904 2.904 2.904 . 0 0 "[ ]" 1
164 1 67 PHE HB2 1 68 MET H 5.419 . 5.419 3.992 3.992 3.992 . 0 0 "[ ]" 1
165 1 68 MET H 1 68 MET QG 3.700 2.900 3.700 2.557 2.557 2.557 0.343 1 0 "[ ]" 1
166 1 68 MET H 1 68 MET HB3 3.700 2.900 3.700 2.980 2.980 2.980 . 0 0 "[ ]" 1
167 1 68 MET H 1 68 MET HB2 3.700 2.900 3.700 3.728 3.728 3.728 0.028 1 0 "[ ]" 1
168 1 64 ILE MG 1 68 MET H 5.000 3.700 6.000 3.506 3.506 3.506 0.194 1 0 "[ ]" 1
169 1 27 PHE H 1 28 ASP H 3.000 2.600 3.000 2.742 2.742 2.742 . 0 0 "[ ]" 1
170 1 27 PHE H 1 27 PHE QD 5.000 3.700 7.000 4.387 4.387 4.387 . 0 0 "[ ]" 1
171 1 26 ASP HA 1 27 PHE H 3.700 2.300 3.700 2.515 2.515 2.515 . 0 0 "[ ]" 1
172 1 27 PHE H 1 27 PHE HA 2.900 . 2.900 2.910 2.910 2.910 0.010 1 0 "[ ]" 1
173 1 27 PHE H 1 27 PHE QB 2.900 . 2.900 2.395 2.395 2.395 . 0 0 "[ ]" 1
174 1 26 ASP QB 1 27 PHE H 3.700 . 3.700 2.335 2.335 2.335 . 0 0 "[ ]" 1
175 1 28 ASP H 1 29 GLU H 3.000 2.600 3.000 2.716 2.716 2.716 . 0 0 "[ ]" 1
176 1 27 PHE QD 1 28 ASP H 5.000 3.700 7.000 4.308 4.308 4.308 . 0 0 "[ ]" 1
177 1 27 PHE HA 1 28 ASP H 3.700 3.300 3.700 3.509 3.509 3.509 . 0 0 "[ ]" 1
178 1 28 ASP H 1 28 ASP HA 3.700 2.900 3.700 2.978 2.978 2.978 . 0 0 "[ ]" 1
179 1 27 PHE QB 1 28 ASP H 3.700 2.900 3.700 2.717 2.717 2.717 0.183 1 0 "[ ]" 1
180 1 28 ASP H 1 28 ASP HB3 3.700 2.900 3.700 3.777 3.777 3.777 0.077 1 0 "[ ]" 1
181 1 28 ASP H 1 28 ASP HB2 3.700 2.900 3.700 2.739 2.739 2.739 0.161 1 0 "[ ]" 1
182 1 51 MET H 1 52 LYS H 3.000 2.600 3.000 2.670 2.670 2.670 . 0 0 "[ ]" 1
183 1 52 LYS H 1 54 ALA H 4.400 4.000 4.400 4.289 4.289 4.289 . 0 0 "[ ]" 1
184 1 52 LYS H 1 52 LYS HA 2.900 . 2.900 2.908 2.908 2.908 0.008 1 0 "[ ]" 1
185 1 51 MET HA 1 52 LYS H 3.700 3.300 3.700 3.578 3.578 3.578 . 0 0 "[ ]" 1
186 1 52 LYS H 1 52 LYS QE 5.000 3.700 6.000 3.555 3.555 3.555 0.145 1 0 "[ ]" 1
187 1 51 MET HB2 1 52 LYS H 5.000 . 5.000 3.909 3.909 3.909 . 0 0 "[ ]" 1
188 1 51 MET HB3 1 52 LYS H 5.000 . 5.000 3.137 3.137 3.137 . 0 0 "[ ]" 1
189 1 55 ASP H 1 55 ASP HA 3.700 2.900 3.700 3.006 3.006 3.006 . 0 0 "[ ]" 1
190 1 54 ALA HA 1 55 ASP H 3.700 3.300 3.700 3.522 3.522 3.522 . 0 0 "[ ]" 1
191 1 53 GLU HA 1 55 ASP H 4.600 4.200 4.600 4.629 4.629 4.629 0.029 1 0 "[ ]" 1
192 1 55 ASP H 1 55 ASP HB3 2.900 . 2.900 2.600 2.600 2.600 . 0 0 "[ ]" 1
193 1 55 ASP H 1 55 ASP HB2 2.900 . 2.900 2.961 2.961 2.961 0.061 1 0 "[ ]" 1
194 1 54 ALA MB 1 55 ASP H 2.900 . 3.900 3.218 3.218 3.218 . 0 0 "[ ]" 1
195 1 55 ASP H 1 62 ILE MD 5.000 3.700 6.000 3.734 3.734 3.734 . 0 0 "[ ]" 1
196 1 37 VAL H 1 37 VAL HA 2.900 . 2.900 2.988 2.988 2.988 0.088 1 0 "[ ]" 1
197 1 37 VAL H 1 37 VAL HB 3.700 2.900 3.700 3.393 3.393 3.393 . 0 0 "[ ]" 1
198 1 36 LYS HB3 1 37 VAL H 6.740 . 6.740 3.508 3.508 3.508 . 0 0 "[ ]" 1
199 1 36 LYS QD 1 37 VAL H 3.700 2.900 4.700 3.260 3.260 3.260 . 0 0 "[ ]" 1
200 1 36 LYS QG 1 37 VAL H 5.000 3.700 6.000 4.205 4.205 4.205 . 0 0 "[ ]" 1
201 1 32 PHE H 1 33 ILE H 3.000 2.600 3.000 2.939 2.939 2.939 . 0 0 "[ ]" 1
202 1 32 PHE HA 1 33 ILE H 3.700 3.300 3.700 3.588 3.588 3.588 . 0 0 "[ ]" 1
203 1 30 PHE HA 1 33 ILE H 3.600 3.200 3.600 3.430 3.430 3.430 . 0 0 "[ ]" 1
204 1 31 LYS QB 1 33 ILE H 5.000 3.700 6.000 5.026 5.026 5.026 . 0 0 "[ ]" 1
205 1 33 ILE H 1 33 ILE HB 2.900 . 2.900 2.183 2.183 2.183 . 0 0 "[ ]" 1
206 1 33 ILE H 1 33 ILE HG13 4.652 . 4.652 4.137 4.137 4.137 . 0 0 "[ ]" 1
207 1 33 ILE H 1 33 ILE MG 3.700 2.900 4.700 2.591 2.591 2.591 0.309 1 0 "[ ]" 1
208 1 7 GLU H 1 8 GLU H 3.000 2.600 3.000 2.556 2.556 2.556 0.044 1 0 "[ ]" 1
209 1 8 GLU H 1 9 GLU H 3.000 2.600 3.000 3.081 3.081 3.081 0.081 1 0 "[ ]" 1
210 1 8 GLU H 1 8 GLU HA 2.900 . 2.900 2.965 2.965 2.965 0.065 1 0 "[ ]" 1
211 1 7 GLU HA 1 8 GLU H 3.700 3.300 3.700 3.492 3.492 3.492 . 0 0 "[ ]" 1
212 1 15 LYS HA 1 16 VAL H 3.700 3.300 3.700 3.635 3.635 3.635 . 0 0 "[ ]" 1
213 1 16 VAL H 1 16 VAL HA 2.900 . 2.900 2.920 2.920 2.920 0.020 1 0 "[ ]" 1
214 1 14 PHE HA 1 16 VAL H 4.600 4.200 4.600 4.268 4.268 4.268 . 0 0 "[ ]" 1
215 1 16 VAL H 1 16 VAL HB 2.900 . 2.900 2.508 2.508 2.508 . 0 0 "[ ]" 1
216 1 13 ALA MB 1 16 VAL H 5.000 3.700 6.000 4.866 4.866 4.866 . 0 0 "[ ]" 1
217 1 16 VAL H 1 16 VAL QG 2.900 2.900 3.900 2.833 2.833 2.833 0.067 1 0 "[ ]" 1
218 1 30 PHE H 1 31 LYS H 3.000 2.600 3.000 2.619 2.619 2.619 . 0 0 "[ ]" 1
219 1 30 PHE QD 1 31 LYS H 5.000 3.700 7.000 3.965 3.965 3.965 . 0 0 "[ ]" 1
220 1 30 PHE HA 1 31 LYS H 3.700 3.300 3.700 3.578 3.578 3.578 . 0 0 "[ ]" 1
221 1 70 LEU HA 1 71 ILE H 3.700 3.300 3.700 3.574 3.574 3.574 . 0 0 "[ ]" 1
222 1 68 MET HA 1 71 ILE H 3.600 3.200 3.600 3.369 3.369 3.369 . 0 0 "[ ]" 1
223 1 71 ILE H 1 71 ILE HA 2.900 . 2.900 2.940 2.940 2.940 0.040 1 0 "[ ]" 1
224 1 68 MET HB2 1 71 ILE H 5.468 . 5.468 5.286 5.286 5.286 . 0 0 "[ ]" 1
225 1 71 ILE H 1 71 ILE HB 2.900 . 2.900 2.578 2.578 2.578 . 0 0 "[ ]" 1
226 1 70 LEU QB 1 71 ILE H 3.700 2.900 4.700 3.752 3.752 3.752 . 0 0 "[ ]" 1
227 1 70 LEU HG 1 71 ILE H 5.000 3.700 5.000 4.772 4.772 4.772 . 0 0 "[ ]" 1
228 1 71 ILE H 1 71 ILE HG12 3.700 . 3.700 3.744 3.744 3.744 0.044 1 0 "[ ]" 1
229 1 71 ILE H 1 71 ILE HG13 3.700 . 3.700 2.368 2.368 2.368 . 0 0 "[ ]" 1
230 1 71 ILE H 1 71 ILE MG 3.700 2.900 4.700 3.904 3.904 3.904 . 0 0 "[ ]" 1
231 1 71 ILE H 1 71 ILE MD 3.700 2.900 4.700 3.432 3.432 3.432 . 0 0 "[ ]" 1
232 1 67 PHE H 1 69 ASP H 4.400 4.000 4.400 4.315 4.315 4.315 . 0 0 "[ ]" 1
233 1 69 ASP H 1 70 LEU H 3.000 2.600 3.000 2.598 2.598 2.598 0.002 1 0 "[ ]" 1
234 1 66 GLU HA 1 69 ASP H 3.600 3.200 3.600 3.610 3.610 3.610 0.010 1 0 "[ ]" 1
235 1 68 MET HA 1 69 ASP H 3.700 3.300 3.700 3.554 3.554 3.554 . 0 0 "[ ]" 1
236 1 69 ASP H 1 69 ASP HB3 2.900 . 2.900 2.957 2.957 2.957 0.057 1 0 "[ ]" 1
237 1 69 ASP H 1 69 ASP HB2 2.900 . 2.900 2.384 2.384 2.384 . 0 0 "[ ]" 1
238 1 68 MET HB3 1 69 ASP H 5.000 3.700 5.000 4.390 4.390 4.390 . 0 0 "[ ]" 1
239 1 68 MET HB2 1 69 ASP H 3.700 . 3.700 3.833 3.833 3.833 0.133 1 0 "[ ]" 1
240 1 43 THR H 1 46 GLU H 5.000 3.700 5.000 5.034 5.034 5.034 0.034 1 0 "[ ]" 1
241 1 44 ASP H 1 46 GLU H 4.400 4.000 4.400 4.485 4.485 4.485 0.085 1 0 "[ ]" 1
242 1 46 GLU H 1 47 VAL H 3.000 2.600 3.000 2.604 2.604 2.604 . 0 0 "[ ]" 1
243 1 45 ALA H 1 46 GLU H 3.000 2.600 3.000 2.954 2.954 2.954 . 0 0 "[ ]" 1
244 1 43 THR HB 1 46 GLU H 3.700 2.900 3.700 3.318 3.318 3.318 . 0 0 "[ ]" 1
245 1 45 ALA HA 1 46 GLU H 3.700 3.300 3.700 3.558 3.558 3.558 . 0 0 "[ ]" 1
246 1 46 GLU H 1 46 GLU HA 2.900 . 2.900 2.941 2.941 2.941 0.041 1 0 "[ ]" 1
247 1 46 GLU H 1 46 GLU HG3 2.900 . 2.900 2.921 2.921 2.921 0.021 1 0 "[ ]" 1
248 1 46 GLU H 1 46 GLU HG2 2.900 . 2.900 2.240 2.240 2.240 . 0 0 "[ ]" 1
249 1 46 GLU H 1 46 GLU QB 3.700 2.900 4.700 2.786 2.786 2.786 0.114 1 0 "[ ]" 1
250 1 45 ALA MB 1 46 GLU H 2.900 . 3.900 2.749 2.749 2.749 . 0 0 "[ ]" 1
251 1 46 GLU H 1 47 VAL QG 5.000 3.700 6.000 4.383 4.383 4.383 . 0 0 "[ ]" 1
252 1 39 GLU H 1 39 GLU HA 2.900 . 2.900 2.932 2.932 2.932 0.032 1 0 "[ ]" 1
253 1 38 GLY HA2 1 39 GLU H 4.648 . 4.648 3.370 3.370 3.370 . 0 0 "[ ]" 1
254 1 39 GLU H 1 39 GLU HG3 3.700 2.900 3.700 2.838 2.838 2.838 0.062 1 0 "[ ]" 1
255 1 39 GLU H 1 39 GLU HG2 3.700 2.900 3.700 3.725 3.725 3.725 0.025 1 0 "[ ]" 1
256 1 16 VAL H 1 18 ASP H 5.000 3.700 5.000 4.277 4.277 4.277 . 0 0 "[ ]" 1
257 1 18 ASP H 1 19 ALA H 5.000 3.400 5.000 4.235 4.235 4.235 . 0 0 "[ ]" 1
258 1 15 LYS HA 1 18 ASP H 3.700 2.900 3.700 3.199 3.199 3.199 . 0 0 "[ ]" 1
259 1 18 ASP H 1 18 ASP HA 2.900 . 2.900 2.867 2.867 2.867 . 0 0 "[ ]" 1
260 1 17 PHE HA 1 18 ASP H 3.700 2.900 3.700 3.513 3.513 3.513 . 0 0 "[ ]" 1
261 1 18 ASP H 1 18 ASP HB3 3.700 . 3.700 2.301 2.301 2.301 . 0 0 "[ ]" 1
262 1 18 ASP H 1 18 ASP HB2 3.700 . 3.700 2.493 2.493 2.493 . 0 0 "[ ]" 1
263 1 17 PHE QB 1 18 ASP H 5.000 2.900 5.000 3.029 3.029 3.029 . 0 0 "[ ]" 1
264 1 18 ASP H 1 25 ILE HG13 5.000 2.900 5.000 4.489 4.489 4.489 . 0 0 "[ ]" 1
265 1 18 ASP H 1 25 ILE MD 5.000 3.700 6.000 3.503 3.503 3.503 0.197 1 0 "[ ]" 1
266 1 48 GLU H 1 49 GLU H 3.000 2.600 3.000 2.590 2.590 2.590 0.010 1 0 "[ ]" 1
267 1 47 VAL HA 1 49 GLU H 4.600 4.200 4.600 4.616 4.616 4.616 0.016 1 0 "[ ]" 1
268 1 49 GLU H 1 50 ALA H 3.000 2.600 3.000 2.842 2.842 2.842 . 0 0 "[ ]" 1
269 1 49 GLU H 1 49 GLU HA 2.900 . 2.900 2.907 2.907 2.907 0.007 1 0 "[ ]" 1
270 1 48 GLU HA 1 49 GLU H 3.700 3.300 3.700 3.569 3.569 3.569 . 0 0 "[ ]" 1
271 1 49 GLU H 1 49 GLU QB 2.900 . 3.900 2.492 2.492 2.492 . 0 0 "[ ]" 1
272 1 33 ILE HA 1 36 LYS H 5.000 3.700 5.000 3.731 3.731 3.731 . 0 0 "[ ]" 1
273 1 36 LYS H 1 36 LYS HA 3.700 2.900 3.700 3.043 3.043 3.043 . 0 0 "[ ]" 1
274 1 35 GLN HA 1 36 LYS H 2.900 . 2.900 3.139 3.139 3.139 0.239 1 0 "[ ]" 1
275 1 35 GLN QB 1 36 LYS H 3.700 2.900 4.700 2.781 2.781 2.781 0.119 1 0 "[ ]" 1
276 1 36 LYS H 1 36 LYS QD 2.900 . 3.900 3.414 3.414 3.414 . 0 0 "[ ]" 1
277 1 36 LYS H 1 36 LYS QG 3.700 2.900 4.700 2.123 2.123 2.123 0.777 1 1 [+] 1
278 1 14 PHE H 1 16 VAL H 4.400 4.000 4.400 4.134 4.134 4.134 . 0 0 "[ ]" 1
279 1 14 PHE H 1 14 PHE QD 3.700 2.900 5.700 4.390 4.390 4.390 . 0 0 "[ ]" 1
280 1 13 ALA HA 1 14 PHE H 3.700 3.300 3.700 3.640 3.640 3.640 . 0 0 "[ ]" 1
281 1 14 PHE H 1 14 PHE HA 2.900 . 2.900 2.974 2.974 2.974 0.074 1 0 "[ ]" 1
282 1 14 PHE H 1 14 PHE HB3 2.900 . 2.900 2.831 2.831 2.831 . 0 0 "[ ]" 1
283 1 14 PHE H 1 14 PHE HB2 2.900 . 2.900 2.639 2.639 2.639 . 0 0 "[ ]" 1
284 1 12 ARG H 1 14 PHE H 4.400 4.000 4.400 4.527 4.527 4.527 0.127 1 0 "[ ]" 1
285 1 13 ALA MB 1 14 PHE H 2.900 . 3.900 2.742 2.742 2.742 . 0 0 "[ ]" 1
286 1 10 ILE MG 1 14 PHE H 5.000 3.700 6.000 3.879 3.879 3.879 . 0 0 "[ ]" 1
287 1 10 ILE QG 1 14 PHE H 6.640 2.060 6.640 6.176 6.176 6.176 . 0 0 "[ ]" 1
288 1 59 ASN H 1 59 ASN HA 2.900 . 2.900 2.863 2.863 2.863 . 0 0 "[ ]" 1
289 1 58 GLY HA3 1 59 ASN H 4.700 3.300 4.700 3.298 3.298 3.298 0.002 1 0 "[ ]" 1
290 1 58 GLY HA2 1 59 ASN H 4.700 3.300 4.700 3.363 3.363 3.363 . 0 0 "[ ]" 1
291 1 59 ASN H 1 59 ASN HB3 3.700 . 3.700 2.686 2.686 2.686 . 0 0 "[ ]" 1
292 1 59 ASN H 1 59 ASN HB2 3.700 . 3.700 3.657 3.657 3.657 . 0 0 "[ ]" 1
293 1 22 ASP H 1 22 ASP HA 2.900 . 2.900 2.961 2.961 2.961 0.061 1 0 "[ ]" 1
294 1 20 ASN HA 1 22 ASP H 5.000 3.700 5.000 4.470 4.470 4.470 . 0 0 "[ ]" 1
295 1 22 ASP H 1 22 ASP HB3 5.000 2.900 5.000 2.823 2.823 2.823 0.077 1 0 "[ ]" 1
296 1 22 ASP H 1 22 ASP HB2 5.000 2.900 5.000 3.708 3.708 3.708 . 0 0 "[ ]" 1
297 1 20 ASN HD22 1 22 ASP H 5.000 3.700 5.000 4.842 4.842 4.842 . 0 0 "[ ]" 1
298 1 40 GLU H 1 40 GLU HA 2.900 . 2.900 2.975 2.975 2.975 0.075 1 0 "[ ]" 1
299 1 39 GLU HA 1 40 GLU H 2.900 . 2.900 2.382 2.382 2.382 . 0 0 "[ ]" 1
300 1 38 GLY HA2 1 40 GLU H 6.748 . 6.748 6.761 6.761 6.761 0.013 1 0 "[ ]" 1
301 1 11 LEU H 1 12 ARG H 3.000 2.600 3.000 2.616 2.616 2.616 . 0 0 "[ ]" 1
302 1 11 LEU HA 1 12 ARG H 3.700 3.300 3.700 3.475 3.475 3.475 . 0 0 "[ ]" 1
303 1 12 ARG H 1 12 ARG HA 2.900 . 2.900 2.922 2.922 2.922 0.022 1 0 "[ ]" 1
304 1 11 LEU MD1 1 12 ARG H 5.000 3.700 6.000 3.570 3.570 3.570 0.130 1 0 "[ ]" 1
305 1 69 ASP HA 1 72 LYS H 3.600 3.200 3.600 3.670 3.670 3.670 0.070 1 0 "[ ]" 1
306 1 72 LYS H 1 72 LYS HA 2.900 . 2.900 2.966 2.966 2.966 0.066 1 0 "[ ]" 1
307 1 71 ILE HA 1 72 LYS H 3.700 3.300 3.700 3.566 3.566 3.566 . 0 0 "[ ]" 1
308 1 71 ILE MD 1 72 LYS H 5.000 3.700 6.000 4.366 4.366 4.366 . 0 0 "[ ]" 1
309 1 54 ALA H 1 55 ASP H 3.000 2.600 3.000 3.018 3.018 3.018 0.018 1 0 "[ ]" 1
310 1 54 ALA H 1 54 ALA HA 2.900 . 2.900 2.915 2.915 2.915 0.015 1 0 "[ ]" 1
311 1 53 GLU HA 1 54 ALA H 3.700 3.300 3.700 3.541 3.541 3.541 . 0 0 "[ ]" 1
312 1 51 MET HA 1 54 ALA H 3.600 3.200 3.600 3.115 3.115 3.115 0.085 1 0 "[ ]" 1
313 1 53 GLU HB2 1 54 ALA H 4.636 . 4.636 2.615 2.615 2.615 . 0 0 "[ ]" 1
314 1 54 ALA H 1 54 ALA MB 2.900 . 3.900 2.259 2.259 2.259 . 0 0 "[ ]" 1
315 1 54 ALA H 1 62 ILE MD 5.000 3.700 6.000 4.276 4.276 4.276 . 0 0 "[ ]" 1
316 1 10 ILE H 1 11 LEU H 3.000 2.600 3.000 2.651 2.651 2.651 . 0 0 "[ ]" 1
317 1 11 LEU H 1 11 LEU HA 2.900 . 2.900 2.889 2.889 2.889 . 0 0 "[ ]" 1
318 1 10 ILE HA 1 11 LEU H 3.700 3.300 3.700 3.675 3.675 3.675 . 0 0 "[ ]" 1
319 1 10 ILE HB 1 11 LEU H 2.900 . 2.900 2.666 2.666 2.666 . 0 0 "[ ]" 1
320 1 10 ILE MD 1 11 LEU H 5.000 3.700 6.000 4.843 4.843 4.843 . 0 0 "[ ]" 1
321 1 9 GLU H 1 10 ILE H 3.000 2.600 3.000 2.388 2.388 2.388 0.212 1 0 "[ ]" 1
322 1 9 GLU H 1 9 GLU HA 2.900 . 2.900 2.602 2.602 2.602 . 0 0 "[ ]" 1
323 1 8 GLU HA 1 9 GLU H 3.700 3.300 3.700 2.994 2.994 2.994 0.306 1 0 "[ ]" 1
324 1 7 GLU HA 1 9 GLU H 4.600 4.200 4.600 4.265 4.265 4.265 . 0 0 "[ ]" 1
325 1 50 ALA H 1 51 MET H 3.000 2.600 3.000 2.989 2.989 2.989 . 0 0 "[ ]" 1
326 1 50 ALA HA 1 51 MET H 3.700 3.300 3.700 3.615 3.615 3.615 . 0 0 "[ ]" 1
327 1 49 GLU HA 1 51 MET H 4.600 4.200 4.600 4.661 4.661 4.661 0.061 1 0 "[ ]" 1
328 1 48 GLU HA 1 51 MET H 3.600 3.200 3.600 3.664 3.664 3.664 0.064 1 0 "[ ]" 1
329 1 47 VAL HA 1 51 MET H 5.000 3.700 5.000 3.992 3.992 3.992 . 0 0 "[ ]" 1
330 1 51 MET H 1 51 MET HA 3.700 2.900 3.700 2.972 2.972 2.972 . 0 0 "[ ]" 1
331 1 47 VAL H 1 48 GLU H 3.000 2.600 3.000 2.637 2.637 2.637 . 0 0 "[ ]" 1
332 1 45 ALA HA 1 48 GLU H 3.600 3.200 3.600 3.648 3.648 3.648 0.048 1 0 "[ ]" 1
333 1 48 GLU H 1 48 GLU HA 3.700 2.900 3.700 2.930 2.930 2.930 . 0 0 "[ ]" 1
334 1 47 VAL HA 1 48 GLU H 3.700 3.300 3.700 3.521 3.521 3.521 . 0 0 "[ ]" 1
335 1 47 VAL QG 1 48 GLU H 5.000 3.700 6.000 2.754 2.754 2.754 0.946 1 1 [+] 1
336 1 44 ASP H 1 45 ALA H 3.000 2.600 3.000 2.474 2.474 2.474 0.126 1 0 "[ ]" 1
337 1 43 THR HB 1 44 ASP H 2.900 . 2.900 3.041 3.041 3.041 0.141 1 0 "[ ]" 1
338 1 43 THR HA 1 44 ASP H 2.900 . 2.900 2.007 2.007 2.007 . 0 0 "[ ]" 1
339 1 44 ASP H 1 44 ASP HA 2.900 . 2.900 2.961 2.961 2.961 0.061 1 0 "[ ]" 1
340 1 44 ASP H 1 44 ASP HB3 3.700 . 3.700 2.661 2.661 2.661 . 0 0 "[ ]" 1
341 1 44 ASP H 1 44 ASP HB2 3.700 . 3.700 3.684 3.684 3.684 . 0 0 "[ ]" 1
342 1 43 THR MG 1 44 ASP H 3.700 2.900 4.700 3.818 3.818 3.818 . 0 0 "[ ]" 1
343 1 29 GLU H 1 30 PHE H 3.000 2.600 3.000 2.610 2.610 2.610 . 0 0 "[ ]" 1
344 1 29 GLU H 1 29 GLU HA 2.900 . 2.900 2.912 2.912 2.912 0.012 1 0 "[ ]" 1
345 1 27 PHE H 1 29 GLU H 4.400 4.000 4.400 4.274 4.274 4.274 . 0 0 "[ ]" 1
346 1 28 ASP HA 1 29 GLU H 3.700 3.300 3.700 3.620 3.620 3.620 . 0 0 "[ ]" 1
347 1 28 ASP HB2 1 29 GLU H 5.424 . 5.424 3.174 3.174 3.174 . 0 0 "[ ]" 1
348 1 25 ILE MG 1 29 GLU H 5.000 3.700 6.000 4.944 4.944 4.944 . 0 0 "[ ]" 1
349 1 43 THR HB 1 45 ALA H 2.900 . 2.900 3.084 3.084 3.084 0.184 1 0 "[ ]" 1
350 1 44 ASP HA 1 45 ALA H 3.700 3.300 3.700 3.375 3.375 3.375 . 0 0 "[ ]" 1
351 1 45 ALA H 1 45 ALA HA 2.900 . 2.900 2.882 2.882 2.882 . 0 0 "[ ]" 1
352 1 44 ASP HB3 1 45 ALA H 3.700 2.900 3.700 3.925 3.925 3.925 0.225 1 0 "[ ]" 1
353 1 44 ASP HB2 1 45 ALA H 3.700 2.900 3.700 3.790 3.790 3.790 0.090 1 0 "[ ]" 1
354 1 45 ALA H 1 45 ALA MB 2.900 . 3.900 2.350 2.350 2.350 . 0 0 "[ ]" 1
355 1 9 GLU HA 1 10 ILE H 3.700 3.100 3.700 3.453 3.453 3.453 . 0 0 "[ ]" 1
356 1 10 ILE H 1 10 ILE HA 2.900 . 2.900 2.947 2.947 2.947 0.047 1 0 "[ ]" 1
357 1 9 GLU HB3 1 10 ILE H 5.442 . 5.442 2.317 2.317 2.317 . 0 0 "[ ]" 1
358 1 10 ILE H 1 10 ILE HB 2.900 . 2.900 2.488 2.488 2.488 . 0 0 "[ ]" 1
359 1 10 ILE H 1 10 ILE MG 3.700 2.900 4.700 3.882 3.882 3.882 . 0 0 "[ ]" 1
360 1 10 ILE H 1 10 ILE QG 5.000 2.900 5.000 2.590 2.590 2.590 0.310 1 0 "[ ]" 1
361 1 42 LEU H 1 42 LEU HA 3.700 2.900 3.700 3.004 3.004 3.004 . 0 0 "[ ]" 1
362 1 42 LEU H 1 42 LEU MD2 3.700 2.900 4.700 4.033 4.033 4.033 . 0 0 "[ ]" 1
363 1 44 ASP HA 1 47 VAL H 3.600 3.200 3.600 3.645 3.645 3.645 0.045 1 0 "[ ]" 1
364 1 45 ALA HA 1 47 VAL H 4.600 4.200 4.600 4.617 4.617 4.617 0.017 1 0 "[ ]" 1
365 1 46 GLU HA 1 47 VAL H 3.700 3.300 3.700 3.502 3.502 3.502 . 0 0 "[ ]" 1
366 1 47 VAL H 1 47 VAL HA 2.900 . 2.900 2.921 2.921 2.921 0.021 1 0 "[ ]" 1
367 1 47 VAL H 1 47 VAL HB 2.900 . 2.900 2.171 2.171 2.171 . 0 0 "[ ]" 1
368 1 46 GLU QB 1 47 VAL H 3.700 2.900 4.700 3.334 3.334 3.334 . 0 0 "[ ]" 1
369 1 45 ALA MB 1 47 VAL H 5.000 3.700 6.000 4.743 4.743 4.743 . 0 0 "[ ]" 1
370 1 50 ALA H 1 50 ALA HA 2.900 . 2.900 2.867 2.867 2.867 . 0 0 "[ ]" 1
371 1 49 GLU HA 1 50 ALA H 3.700 3.300 3.700 3.575 3.575 3.575 . 0 0 "[ ]" 1
372 1 47 VAL HA 1 50 ALA H 3.600 3.200 3.600 3.662 3.662 3.662 0.062 1 0 "[ ]" 1
373 1 49 GLU QB 1 50 ALA H 2.900 . 3.900 2.557 2.557 2.557 . 0 0 "[ ]" 1
374 1 13 ALA H 1 14 PHE H 3.000 2.600 3.000 3.023 3.023 3.023 0.023 1 0 "[ ]" 1
375 1 12 ARG HA 1 13 ALA H 3.700 3.300 3.700 3.627 3.627 3.627 . 0 0 "[ ]" 1
376 1 10 ILE HA 1 13 ALA H 3.600 3.200 3.600 3.646 3.646 3.646 0.046 1 0 "[ ]" 1
377 1 13 ALA H 1 13 ALA HA 2.900 . 2.900 2.925 2.925 2.925 0.025 1 0 "[ ]" 1
378 1 30 PHE H 1 30 PHE QD 5.000 3.700 7.000 4.075 4.075 4.075 . 0 0 "[ ]" 1
379 1 27 PHE HA 1 30 PHE H 3.600 3.200 3.600 3.475 3.475 3.475 . 0 0 "[ ]" 1
380 1 29 GLU HA 1 30 PHE H 3.700 3.300 3.700 3.464 3.464 3.464 . 0 0 "[ ]" 1
381 1 30 PHE H 1 30 PHE HA 3.700 2.900 3.700 2.910 2.910 2.910 . 0 0 "[ ]" 1
382 1 29 GLU QB 1 30 PHE H 3.700 2.900 4.700 3.040 3.040 3.040 . 0 0 "[ ]" 1
383 1 29 GLU HG2 1 30 PHE H 6.729 . 6.729 5.265 5.265 5.265 . 0 0 "[ ]" 1
384 1 25 ILE MG 1 30 PHE H 3.700 2.900 4.700 3.611 3.611 3.611 . 0 0 "[ ]" 1
385 1 73 LYS HA 1 74 SER H 3.700 2.900 3.700 3.447 3.447 3.447 . 0 0 "[ ]" 1
386 1 74 SER H 1 74 SER HA 3.700 2.900 3.700 2.942 2.942 2.942 . 0 0 "[ ]" 1
387 1 73 LYS HB3 1 74 SER H 5.458 . 5.458 2.792 2.792 2.792 . 0 0 "[ ]" 1
388 1 69 ASP HA 1 70 LEU H 3.700 3.300 3.700 3.506 3.506 3.506 . 0 0 "[ ]" 1
389 1 67 PHE HA 1 70 LEU H 3.600 3.200 3.600 3.648 3.648 3.648 0.048 1 0 "[ ]" 1
390 1 70 LEU H 1 70 LEU HA 2.900 . 2.900 2.962 2.962 2.962 0.062 1 0 "[ ]" 1
391 1 68 MET HA 1 70 LEU H 4.600 4.200 4.600 4.327 4.327 4.327 . 0 0 "[ ]" 1
392 1 69 ASP HB3 1 70 LEU H 3.700 2.900 3.700 2.915 2.915 2.915 . 0 0 "[ ]" 1
393 1 69 ASP HB2 1 70 LEU H 3.700 2.900 3.700 3.767 3.767 3.767 0.067 1 0 "[ ]" 1
394 1 68 MET HB2 1 70 LEU H 5.468 . 5.468 5.601 5.601 5.601 0.133 1 0 "[ ]" 1
395 1 70 LEU H 1 70 LEU QB 2.900 . 3.900 2.943 2.943 2.943 . 0 0 "[ ]" 1
396 1 70 LEU H 1 70 LEU HG 5.000 3.700 5.000 4.446 4.446 4.446 . 0 0 "[ ]" 1
397 1 70 LEU H 1 70 LEU QD . 3.700 4.700 2.609 2.609 2.609 1.091 1 1 [+] 1
398 1 7 GLU H 1 7 GLU HA 2.900 . 2.900 2.937 2.937 2.937 0.037 1 0 "[ ]" 1
399 1 67 PHE H 1 67 PHE QD 5.000 3.700 7.000 4.051 4.051 4.051 . 0 0 "[ ]" 1
400 1 67 PHE H 1 67 PHE HA 2.900 . 2.900 2.818 2.818 2.818 . 0 0 "[ ]" 1
401 1 66 GLU HA 1 67 PHE H 3.700 3.300 3.700 3.556 3.556 3.556 . 0 0 "[ ]" 1
402 1 67 PHE H 1 67 PHE HB3 2.900 . 2.900 2.233 2.233 2.233 . 0 0 "[ ]" 1
403 1 67 PHE H 1 67 PHE HB2 2.900 . 2.900 2.669 2.669 2.669 . 0 0 "[ ]" 1
404 1 66 GLU HG3 1 67 PHE H 6.747 . 6.747 4.541 4.541 4.541 . 0 0 "[ ]" 1
405 1 65 PRO HB3 1 67 PHE H 6.792 . 6.792 6.393 6.393 6.393 . 0 0 "[ ]" 1
406 1 62 ILE MG 1 67 PHE H 3.700 2.900 4.700 2.759 2.759 2.759 0.141 1 0 "[ ]" 1
407 1 25 ILE H 1 62 ILE H 3.700 2.900 3.700 2.926 2.926 2.926 . 0 0 "[ ]" 1
408 1 14 PHE HZ 1 25 ILE H 2.900 . 2.900 3.001 3.001 3.001 0.101 1 0 "[ ]" 1
409 1 14 PHE QE 1 25 ILE H 3.700 2.900 5.700 4.094 4.094 4.094 . 0 0 "[ ]" 1
410 1 24 VAL HA 1 25 ILE H 2.900 . 2.900 1.880 1.880 1.880 . 0 0 "[ ]" 1
411 1 25 ILE H 1 25 ILE HA 2.900 . 2.900 3.059 3.059 3.059 0.159 1 0 "[ ]" 1
412 1 25 ILE H 1 62 ILE HB 3.700 2.900 3.700 3.451 3.451 3.451 . 0 0 "[ ]" 1
413 1 25 ILE H 1 25 ILE HB 2.900 . 2.900 2.743 2.743 2.743 . 0 0 "[ ]" 1
414 1 24 VAL HB 1 25 ILE H 3.700 . 3.700 3.971 3.971 3.971 0.271 1 0 "[ ]" 1
415 1 25 ILE H 1 25 ILE MG 5.000 3.700 6.000 4.042 4.042 4.042 . 0 0 "[ ]" 1
416 1 24 VAL QG 1 25 ILE H 3.700 2.900 4.700 2.488 2.488 2.488 0.412 1 0 "[ ]" 1
417 1 25 ILE H 1 25 ILE HG12 6.796 . 6.796 4.180 4.180 4.180 . 0 0 "[ ]" 1
418 1 25 ILE H 1 25 ILE MD 5.000 3.700 6.000 3.930 3.930 3.930 . 0 0 "[ ]" 1
419 1 25 ILE H 1 62 ILE MG 5.000 3.700 6.000 4.776 4.776 4.776 . 0 0 "[ ]" 1
420 1 62 ILE H 1 62 ILE HA 3.700 2.900 3.700 2.993 2.993 2.993 . 0 0 "[ ]" 1
421 1 61 VAL HA 1 62 ILE H 2.900 . 2.900 2.165 2.165 2.165 . 0 0 "[ ]" 1
422 1 62 ILE H 1 62 ILE HB 2.900 . 2.900 3.213 3.213 3.213 0.313 1 0 "[ ]" 1
423 1 25 ILE HB 1 62 ILE H 3.700 2.900 3.700 3.588 3.588 3.588 . 0 0 "[ ]" 1
424 1 61 VAL HB 1 62 ILE H 2.900 . 2.900 3.037 3.037 3.037 0.137 1 0 "[ ]" 1
425 1 62 ILE H 1 62 ILE HG13 3.700 2.900 3.700 2.802 2.802 2.802 0.098 1 0 "[ ]" 1
426 1 62 ILE H 1 62 ILE HG12 3.700 2.900 3.700 3.650 3.650 3.650 . 0 0 "[ ]" 1
427 1 61 VAL QG 1 62 ILE H 3.700 2.900 4.700 1.944 1.944 1.944 0.956 1 1 [+] 1
428 1 62 ILE H 1 62 ILE MD 5.000 3.700 6.000 4.272 4.272 4.272 . 0 0 "[ ]" 1
429 1 56 GLU H 1 57 ASP H 3.700 2.900 3.700 2.886 2.886 2.886 0.014 1 0 "[ ]" 1
430 1 55 ASP HA 1 56 GLU H 2.900 . 2.900 2.089 2.089 2.089 . 0 0 "[ ]" 1
431 1 54 ALA HA 1 56 GLU H 5.000 3.700 5.000 5.074 5.074 5.074 0.074 1 0 "[ ]" 1
432 1 56 GLU H 1 56 GLU HA 2.900 . 2.900 2.906 2.906 2.906 0.006 1 0 "[ ]" 1
433 1 55 ASP HB3 1 56 GLU H 5.000 . 5.000 4.365 4.365 4.365 . 0 0 "[ ]" 1
434 1 56 GLU H 1 56 GLU HG3 2.900 . 2.900 2.529 2.529 2.529 . 0 0 "[ ]" 1
435 1 56 GLU H 1 56 GLU HG2 2.900 . 2.900 3.007 3.007 3.007 0.107 1 0 "[ ]" 1
436 1 55 ASP HB2 1 56 GLU H 5.000 . 5.000 4.285 4.285 4.285 . 0 0 "[ ]" 1
437 1 56 GLU H 1 56 GLU QB 2.900 . 3.900 2.527 2.527 2.527 . 0 0 "[ ]" 1
438 1 56 GLU H 1 62 ILE MD 5.000 3.700 6.000 4.829 4.829 4.829 . 0 0 "[ ]" 1
439 1 26 ASP H 1 29 GLU H 5.000 3.700 5.000 4.073 4.073 4.073 . 0 0 "[ ]" 1
440 1 25 ILE HA 1 26 ASP H 2.900 . 2.900 2.237 2.237 2.237 . 0 0 "[ ]" 1
441 1 26 ASP H 1 26 ASP HA 2.900 . 2.900 3.009 3.009 3.009 0.109 1 0 "[ ]" 1
442 1 25 ILE MG 1 26 ASP H 3.700 2.900 4.700 2.410 2.410 2.410 0.490 1 0 "[ ]" 1
443 1 25 ILE MD 1 26 ASP H 5.000 3.700 6.000 5.074 5.074 5.074 . 0 0 "[ ]" 1
444 1 62 ILE H 1 63 ASP H 5.000 3.700 5.000 4.265 4.265 4.265 . 0 0 "[ ]" 1
445 1 62 ILE HA 1 63 ASP H 2.900 . 2.900 2.062 2.062 2.062 . 0 0 "[ ]" 1
446 1 63 ASP H 1 63 ASP HA 2.900 . 2.900 3.005 3.005 3.005 0.105 1 0 "[ ]" 1
447 1 63 ASP H 1 63 ASP HB3 3.700 . 3.700 3.146 3.146 3.146 . 0 0 "[ ]" 1
448 1 62 ILE HB 1 63 ASP H 3.700 2.900 3.700 3.638 3.638 3.638 . 0 0 "[ ]" 1
449 1 62 ILE MD 1 63 ASP H 5.000 3.700 6.000 5.056 5.056 5.056 . 0 0 "[ ]" 1
450 1 18 ASP HA 1 19 ALA H 3.700 . 3.700 2.014 2.014 2.014 . 0 0 "[ ]" 1
451 1 19 ALA H 1 19 ALA HA 2.900 . 2.900 2.896 2.896 2.896 . 0 0 "[ ]" 1
452 1 18 ASP HB3 1 19 ALA H 5.000 2.900 5.000 4.469 4.469 4.469 . 0 0 "[ ]" 1
453 1 18 ASP HB2 1 19 ALA H 5.000 2.900 5.000 4.271 4.271 4.271 . 0 0 "[ ]" 1
454 1 19 ALA H 1 19 ALA MB 3.700 2.900 4.700 2.303 2.303 2.303 0.597 1 1 [+] 1
455 1 31 LYS H 1 32 PHE H 3.000 2.600 3.000 2.845 2.845 2.845 . 0 0 "[ ]" 1
456 1 63 ASP H 1 63 ASP HB2 3.700 . 3.700 3.839 3.839 3.839 0.139 1 0 "[ ]" 1
457 1 14 PHE QE 1 24 VAL H 5.000 3.700 7.000 4.495 4.495 4.495 . 0 0 "[ ]" 1
458 1 14 PHE QE 1 64 ILE H 3.700 2.900 5.700 3.513 3.513 3.513 . 0 0 "[ ]" 1
459 1 51 MET HA 1 55 ASP H 5.000 3.700 5.000 3.984 3.984 3.984 . 0 0 "[ ]" 1
460 1 54 ALA H 1 55 ASP HB3 6.766 . 6.766 5.475 5.475 5.475 . 0 0 "[ ]" 1
461 1 30 PHE QE 1 51 MET H 3.700 2.900 5.700 3.917 3.917 3.917 . 0 0 "[ ]" 1
462 1 14 PHE QE 1 67 PHE H 5.000 3.700 7.000 3.988 3.988 3.988 . 0 0 "[ ]" 1
463 1 14 PHE H 1 67 PHE QD 5.000 3.700 7.000 4.502 4.502 4.502 . 0 0 "[ ]" 1
464 1 30 PHE H 1 32 PHE H 4.400 4.000 4.400 3.972 3.972 3.972 0.028 1 0 "[ ]" 1
465 1 28 ASP H 1 30 PHE H 4.400 4.000 4.400 3.982 3.982 3.982 0.018 1 0 "[ ]" 1
466 1 50 ALA HA 1 53 GLU H 3.600 3.200 3.600 3.660 3.660 3.660 0.060 1 0 "[ ]" 1
467 1 52 LYS HA 1 55 ASP H 3.600 3.200 3.600 3.618 3.618 3.618 0.018 1 0 "[ ]" 1
468 1 10 ILE HA 1 14 PHE H 3.700 2.900 3.700 3.652 3.652 3.652 . 0 0 "[ ]" 1
469 1 26 ASP H 1 30 PHE H 5.000 3.700 5.000 3.876 3.876 3.876 . 0 0 "[ ]" 1
470 1 47 VAL QG 1 51 MET H 5.000 3.700 6.000 4.374 4.374 4.374 . 0 0 "[ ]" 1
471 1 63 ASP H 1 67 PHE H 5.000 3.700 5.000 4.571 4.571 4.571 . 0 0 "[ ]" 1
472 1 14 PHE QD 1 67 PHE H 5.000 3.700 7.000 4.346 4.346 4.346 . 0 0 "[ ]" 1
473 1 14 PHE HZ 1 64 ILE H 3.700 2.900 3.700 3.494 3.494 3.494 . 0 0 "[ ]" 1
474 1 25 ILE H 1 63 ASP HA 3.700 2.900 3.700 3.793 3.793 3.793 0.093 1 0 "[ ]" 1
475 1 24 VAL HA 1 62 ILE H 5.000 3.700 5.000 4.243 4.243 4.243 . 0 0 "[ ]" 1
476 1 25 ILE MG 1 62 ILE H 5.000 3.700 6.000 4.502 4.502 4.502 . 0 0 "[ ]" 1
477 1 26 ASP HA 1 62 ILE H 3.700 2.900 3.700 3.760 3.760 3.760 0.060 1 0 "[ ]" 1
478 1 24 VAL HA 1 63 ASP HA 2.900 . 2.900 2.726 2.726 2.726 . 0 0 "[ ]" 1
479 1 30 PHE HA 1 34 MET H 5.000 3.700 5.000 4.158 4.158 4.158 . 0 0 "[ ]" 1
480 1 27 PHE H 1 61 VAL QG 5.000 3.700 6.000 4.081 4.081 4.081 . 0 0 "[ ]" 1
481 1 64 ILE HA 1 68 MET H 5.000 3.700 5.000 4.166 4.166 4.166 . 0 0 "[ ]" 1
482 1 13 ALA HA 1 16 VAL H 3.600 3.200 3.600 3.771 3.771 3.771 0.171 1 0 "[ ]" 1
483 1 22 ASP H 1 23 GLY HA2 5.436 . 5.436 4.925 4.925 4.925 . 0 0 "[ ]" 1
484 1 47 VAL H 1 47 VAL QG 3.700 3.700 4.700 2.727 2.727 2.727 0.973 1 1 [+] 1
485 1 20 ASN H 1 21 GLY HA3 6.733 . 6.733 5.517 5.517 5.517 . 0 0 "[ ]" 1
486 1 56 GLU HG3 1 57 ASP H 5.000 3.700 5.000 4.927 4.927 4.927 . 0 0 "[ ]" 1
487 1 34 MET H 1 35 GLN QG 5.000 3.700 6.000 5.088 5.088 5.088 . 0 0 "[ ]" 1
488 1 27 PHE HA 1 31 LYS H 5.000 3.700 5.000 4.217 4.217 4.217 . 0 0 "[ ]" 1
489 1 43 THR HA 1 46 GLU H 5.000 3.700 5.000 5.065 5.065 5.065 0.065 1 0 "[ ]" 1
490 1 45 ALA MB 1 48 GLU H 5.000 3.700 6.000 4.836 4.836 4.836 . 0 0 "[ ]" 1
491 1 29 GLU H 1 30 PHE HB3 6.733 . 6.733 5.004 5.004 5.004 . 0 0 "[ ]" 1
492 1 49 GLU HG2 1 50 ALA H 5.000 3.700 5.000 4.613 4.613 4.613 . 0 0 "[ ]" 1
493 1 56 GLU H 1 62 ILE MG 5.000 3.700 6.000 3.429 3.429 3.429 0.271 1 0 "[ ]" 1
494 1 26 ASP H 1 29 GLU HG3 5.000 . 5.000 4.632 4.632 4.632 . 0 0 "[ ]" 1
495 1 26 ASP H 1 29 GLU HG2 5.000 . 5.000 4.508 4.508 4.508 . 0 0 "[ ]" 1
496 1 63 ASP H 1 66 GLU HG3 5.000 3.700 5.000 3.634 3.634 3.634 0.066 1 0 "[ ]" 1
497 1 63 ASP H 1 66 GLU HG2 5.000 3.700 5.000 4.921 4.921 4.921 . 0 0 "[ ]" 1
498 1 62 ILE MG 1 63 ASP H 3.700 2.900 4.700 2.343 2.343 2.343 0.557 1 1 [+] 1
499 1 19 ALA MB 1 29 GLU H 5.000 3.700 6.000 5.156 5.156 5.156 . 0 0 "[ ]" 1
500 1 26 ASP H 1 29 GLU QB 2.900 . 3.900 2.738 2.738 2.738 . 0 0 "[ ]" 1
501 1 19 ALA H 1 29 GLU HG3 5.000 2.900 5.000 4.477 4.477 4.477 . 0 0 "[ ]" 1
502 1 19 ALA H 1 29 GLU QB 5.000 3.700 6.000 5.156 5.156 5.156 . 0 0 "[ ]" 1
503 1 43 THR H 1 46 GLU QB 5.000 3.700 6.000 5.475 5.475 5.475 . 0 0 "[ ]" 1
504 1 43 THR H 1 46 GLU HG3 5.000 2.900 5.000 3.915 3.915 3.915 . 0 0 "[ ]" 1
505 1 43 THR H 1 46 GLU HG2 5.000 2.900 5.000 3.714 3.714 3.714 . 0 0 "[ ]" 1
506 1 14 PHE HZ 1 24 VAL HA 3.700 2.900 3.700 2.871 2.871 2.871 0.029 1 0 "[ ]" 1
507 1 14 PHE QE 1 24 VAL HA 2.900 . 4.900 3.644 3.644 3.644 . 0 0 "[ ]" 1
508 1 14 PHE QD 1 24 VAL HA 5.000 3.700 7.000 5.743 5.743 5.743 . 0 0 "[ ]" 1
509 1 14 PHE QD 1 67 PHE HB2 3.700 2.900 5.700 2.501 2.501 2.501 0.399 1 0 "[ ]" 1
510 1 14 PHE QD 1 67 PHE HB3 3.700 2.900 5.700 2.531 2.531 2.531 0.369 1 0 "[ ]" 1
511 1 14 PHE QE 1 67 PHE HB2 2.900 . 4.900 3.141 3.141 3.141 . 0 0 "[ ]" 1
512 1 14 PHE QE 1 23 GLY HA3 5.000 3.700 7.000 4.397 4.397 4.397 . 0 0 "[ ]" 1
513 1 14 PHE QE 1 23 GLY HA2 5.000 3.700 7.000 3.211 3.211 3.211 0.489 1 0 "[ ]" 1
514 1 14 PHE HB3 1 67 PHE QD 3.700 2.900 5.700 3.746 3.746 3.746 . 0 0 "[ ]" 1
515 1 14 PHE HB2 1 67 PHE QD 3.700 2.900 5.700 2.907 2.907 2.907 . 0 0 "[ ]" 1
516 1 14 PHE QD 1 25 ILE MD 2.900 . 5.900 2.949 2.949 2.949 . 0 0 "[ ]" 1
517 1 14 PHE QD 1 25 ILE HG12 3.700 2.900 5.700 5.195 5.195 5.195 . 0 0 "[ ]" 1
518 1 14 PHE QD 1 25 ILE HG13 3.700 2.900 5.700 4.386 4.386 4.386 . 0 0 "[ ]" 1
519 1 14 PHE QD 1 64 ILE HG13 5.448 . 7.448 2.994 2.994 2.994 . 0 0 "[ ]" 1
520 1 14 PHE QE 1 64 ILE HG13 4.648 . 6.648 2.703 2.703 2.703 . 0 0 "[ ]" 1
521 1 14 PHE HZ 1 64 ILE HG13 5.448 . 5.448 3.886 3.886 3.886 . 0 0 "[ ]" 1
522 1 14 PHE QE 1 25 ILE MD 2.900 . 5.900 2.426 2.426 2.426 . 0 0 "[ ]" 1
523 1 14 PHE HZ 1 25 ILE MD 3.700 2.900 4.700 2.982 2.982 2.982 . 0 0 "[ ]" 1
524 1 14 PHE QE 1 25 ILE HG13 4.696 . 6.696 3.139 3.139 3.139 . 0 0 "[ ]" 1
525 1 14 PHE HZ 1 25 ILE HG13 4.696 . 4.696 2.813 2.813 2.813 . 0 0 "[ ]" 1
526 1 14 PHE QD 1 62 ILE MG 5.000 3.700 8.000 3.770 3.770 3.770 . 0 0 "[ ]" 1
527 1 14 PHE QD 1 15 LYS HA 3.700 2.900 5.700 2.823 2.823 2.823 0.077 1 0 "[ ]" 1
528 1 14 PHE QD 1 18 ASP HB3 3.700 2.900 5.700 3.972 3.972 3.972 . 0 0 "[ ]" 1
529 1 14 PHE QE 1 18 ASP HB3 3.700 . 5.700 4.161 4.161 4.161 . 0 0 "[ ]" 1
530 1 14 PHE QD 1 18 ASP HB2 3.700 2.900 5.700 2.932 2.932 2.932 . 0 0 "[ ]" 1
531 1 14 PHE QE 1 18 ASP HB2 3.700 . 5.700 2.573 2.573 2.573 . 0 0 "[ ]" 1
532 1 14 PHE HZ 1 18 ASP HB2 5.324 . 5.324 4.481 4.481 4.481 . 0 0 "[ ]" 1
533 1 30 PHE QD 1 33 ILE HB 5.000 3.700 7.000 6.176 6.176 6.176 . 0 0 "[ ]" 1
534 1 30 PHE QD 1 47 VAL HA 5.000 3.700 7.000 3.700 3.700 3.700 . 0 0 "[ ]" 1
535 1 30 PHE QE 1 47 VAL HA 5.000 3.700 7.000 2.927 2.927 2.927 0.773 1 1 [+] 1
536 1 30 PHE HZ 1 51 MET HA 3.700 2.900 3.700 3.616 3.616 3.616 . 0 0 "[ ]" 1
537 1 30 PHE QE 1 51 MET HA 3.700 2.900 5.700 3.026 3.026 3.026 . 0 0 "[ ]" 1
538 1 67 PHE QD 1 68 MET HA 3.700 2.900 5.700 3.455 3.455 3.455 . 0 0 "[ ]" 1
539 1 14 PHE HA 1 67 PHE QD 5.000 3.700 7.000 4.603 4.603 4.603 . 0 0 "[ ]" 1
540 1 30 PHE HZ 1 51 MET HB2 4.597 . 4.597 4.122 4.122 4.122 . 0 0 "[ ]" 1
541 1 30 PHE QE 1 51 MET HB2 4.597 . 6.597 3.649 3.649 3.649 . 0 0 "[ ]" 1
542 1 25 ILE MD 1 67 PHE QD 5.000 3.700 8.000 4.640 4.640 4.640 . 0 0 "[ ]" 1
543 1 25 ILE MD 1 67 PHE QE 5.000 3.700 8.000 5.347 5.347 5.347 . 0 0 "[ ]" 1
544 1 67 PHE QD 1 71 ILE MD 3.700 2.900 6.700 2.995 2.995 2.995 . 0 0 "[ ]" 1
545 1 67 PHE HZ 1 71 ILE MD 3.700 2.900 4.700 2.786 2.786 2.786 0.114 1 0 "[ ]" 1
546 1 67 PHE QE 1 71 ILE MD 3.700 2.900 6.700 2.444 2.444 2.444 0.456 1 0 "[ ]" 1
547 1 27 PHE HA 1 30 PHE QD 3.700 2.900 5.700 3.761 3.761 3.761 . 0 0 "[ ]" 1
548 1 27 PHE QD 1 28 ASP HA 3.700 2.900 5.700 4.665 4.665 4.665 . 0 0 "[ ]" 1
549 1 27 PHE QD 1 48 GLU HA 5.000 3.700 7.000 4.397 4.397 4.397 . 0 0 "[ ]" 1
550 1 27 PHE QE 1 47 VAL QG 3.700 2.900 6.700 2.571 2.571 2.571 0.329 1 0 "[ ]" 1
551 1 32 PHE QD 1 33 ILE MG 3.700 2.900 6.700 4.383 4.383 4.383 . 0 0 "[ ]" 1
552 1 62 ILE MG 1 67 PHE QD 2.900 . 5.900 4.349 4.349 4.349 . 0 0 "[ ]" 1
553 1 10 ILE MG 1 67 PHE QD 2.900 . 5.900 2.364 2.364 2.364 . 0 0 "[ ]" 1
554 1 10 ILE HA 1 67 PHE QD 5.000 3.700 7.000 4.543 4.543 4.543 . 0 0 "[ ]" 1
555 1 10 ILE HA 1 67 PHE QE 3.700 2.900 5.700 2.274 2.274 2.274 0.626 1 1 [+] 1
556 1 26 ASP HA 1 61 VAL HA 2.900 . 2.900 2.359 2.359 2.359 . 0 0 "[ ]" 1
557 1 18 ASP HA 1 25 ILE MD 3.700 2.900 4.700 3.300 3.300 3.300 . 0 0 "[ ]" 1
558 1 55 ASP HA 1 62 ILE MD 3.700 2.900 4.700 3.411 3.411 3.411 . 0 0 "[ ]" 1
559 1 50 ALA MB 1 51 MET HA 4.000 2.900 5.000 4.035 4.035 4.035 . 0 0 "[ ]" 1
560 1 44 ASP HA 1 47 VAL QG 3.700 3.700 4.700 2.229 2.229 2.229 1.471 1 1 [+] 1
561 1 44 ASP HA 1 47 VAL HB 3.700 2.900 3.700 3.844 3.844 3.844 0.144 1 0 "[ ]" 1
562 1 10 ILE MG 1 68 MET HA 2.900 . 3.900 2.969 2.969 2.969 . 0 0 "[ ]" 1
563 1 62 ILE MG 1 63 ASP HA 5.000 3.700 6.000 4.055 4.055 4.055 . 0 0 "[ ]" 1
564 1 24 VAL HA 1 25 ILE HB 5.000 3.700 5.000 4.410 4.410 4.410 . 0 0 "[ ]" 1
565 1 63 ASP HA 1 65 PRO HD2 5.000 3.700 5.000 4.291 4.291 4.291 . 0 0 "[ ]" 1
566 1 63 ASP HA 1 65 PRO HD3 5.000 3.700 5.000 4.828 4.828 4.828 . 0 0 "[ ]" 1
567 1 26 ASP QB 1 61 VAL HA . 3.700 5.000 3.531 3.531 3.531 0.169 1 0 "[ ]" 1
568 1 19 ALA HA 1 20 ASN HA 5.000 3.700 5.000 4.696 4.696 4.696 . 0 0 "[ ]" 1
569 1 19 ALA MB 1 20 ASN HA 5.000 3.700 6.000 3.926 3.926 3.926 . 0 0 "[ ]" 1
570 1 68 MET HB2 1 69 ASP HA 5.468 . 5.468 4.395 4.395 4.395 . 0 0 "[ ]" 1
571 1 70 LEU HA 1 71 ILE HA 5.000 3.700 5.000 4.613 4.613 4.613 . 0 0 "[ ]" 1
572 1 26 ASP HA 1 61 VAL QG 3.700 2.900 4.700 2.676 2.676 2.676 0.224 1 0 "[ ]" 1
573 1 14 PHE QD 1 67 PHE QD 2.900 . 6.900 3.015 3.015 3.015 . 0 0 "[ ]" 1
574 1 27 PHE HA 1 27 PHE QD 2.900 . 4.900 2.139 2.139 2.139 . 0 0 "[ ]" 1
575 1 32 PHE HA 1 32 PHE QD 2.900 . 4.900 2.717 2.717 2.717 . 0 0 "[ ]" 1
576 1 67 PHE HA 1 67 PHE QD 2.900 . 4.900 3.221 3.221 3.221 . 0 0 "[ ]" 1
577 1 14 PHE HZ 1 23 GLY HA2 6.736 . 6.736 5.037 5.037 5.037 . 0 0 "[ ]" 1
578 1 14 PHE HA 1 14 PHE QD 2.900 . 4.900 3.133 3.133 3.133 . 0 0 "[ ]" 1
579 1 14 PHE QE 1 67 PHE HB3 2.900 . 4.900 3.325 3.325 3.325 . 0 0 "[ ]" 1
580 1 63 ASP HA 1 63 ASP HB3 2.900 . 2.900 2.387 2.387 2.387 . 0 0 "[ ]" 1
581 1 63 ASP HA 1 63 ASP HB2 2.900 . 2.900 2.467 2.467 2.467 . 0 0 "[ ]" 1
582 1 20 ASN HA 1 20 ASN HB3 2.900 . 2.900 3.042 3.042 3.042 0.142 1 0 "[ ]" 1
583 1 20 ASN HA 1 20 ASN HB2 2.900 . 2.900 2.474 2.474 2.474 . 0 0 "[ ]" 1
584 1 26 ASP HA 1 27 PHE HA 5.000 3.700 5.000 4.278 4.278 4.278 . 0 0 "[ ]" 1
585 1 22 ASP HA 1 22 ASP HB3 2.900 . 2.900 2.437 2.437 2.437 . 0 0 "[ ]" 1
586 1 22 ASP HA 1 22 ASP HB2 2.900 . 2.900 2.357 2.357 2.357 . 0 0 "[ ]" 1
587 1 21 GLY HA3 1 22 ASP HA 6.733 . 6.733 4.601 4.601 4.601 . 0 0 "[ ]" 1
588 1 18 ASP HA 1 25 ILE MG 5.000 3.700 6.000 4.087 4.087 4.087 . 0 0 "[ ]" 1
589 1 33 ILE HA 1 33 ILE MG 2.900 . 3.900 3.289 3.289 3.289 . 0 0 "[ ]" 1
590 1 33 ILE HA 1 33 ILE HB 2.900 . 2.900 2.683 2.683 2.683 . 0 0 "[ ]" 1
591 1 33 ILE HG12 1 34 MET HA 6.752 . 6.752 5.348 5.348 5.348 . 0 0 "[ ]" 1
592 1 33 ILE MG 1 34 MET HB3 5.419 . 6.419 4.110 4.110 4.110 . 0 0 "[ ]" 1
593 1 18 ASP HA 1 25 ILE HA 3.700 2.900 3.700 3.841 3.841 3.841 0.141 1 0 "[ ]" 1
594 1 59 ASN HA 1 59 ASN HB3 2.900 . 2.900 2.383 2.383 2.383 . 0 0 "[ ]" 1
595 1 59 ASN HA 1 59 ASN HB2 2.900 . 2.900 2.330 2.330 2.330 . 0 0 "[ ]" 1
596 1 57 ASP HA 1 57 ASP HB3 2.900 . 2.900 3.027 3.027 3.027 0.127 1 0 "[ ]" 1
597 1 57 ASP HA 1 57 ASP HB2 2.900 . 2.900 2.349 2.349 2.349 . 0 0 "[ ]" 1
598 1 62 ILE HB 1 64 ILE HA 5.000 3.700 5.000 5.299 5.299 5.299 0.299 1 0 "[ ]" 1
599 1 61 VAL HA 1 61 VAL QG 2.900 . 3.900 2.167 2.167 2.167 . 0 0 "[ ]" 1
600 1 61 VAL HA 1 62 ILE HB 5.000 3.700 5.000 4.861 4.861 4.861 . 0 0 "[ ]" 1
601 1 25 ILE MD 1 62 ILE HB 3.700 2.900 4.700 2.935 2.935 2.935 . 0 0 "[ ]" 1
602 1 26 ASP QB 1 61 VAL QG 3.700 2.900 4.700 2.174 2.174 2.174 0.726 1 1 [+] 1
603 1 55 ASP HA 1 62 ILE HA 5.000 3.700 5.000 4.390 4.390 4.390 . 0 0 "[ ]" 1
604 1 25 ILE HA 1 29 GLU QB 5.000 3.700 6.000 4.087 4.087 4.087 . 0 0 "[ ]" 1
605 1 25 ILE HA 1 29 GLU HG2 5.000 3.700 5.000 4.941 4.941 4.941 . 0 0 "[ ]" 1
606 1 62 ILE HA 1 66 GLU HB3 5.000 3.700 5.000 4.475 4.475 4.475 . 0 0 "[ ]" 1
607 1 62 ILE HA 1 66 GLU HG3 6.747 . 6.747 4.474 4.474 4.474 . 0 0 "[ ]" 1
608 1 64 ILE HA 1 65 PRO HD3 4.655 . 4.655 4.010 4.010 4.010 . 0 0 "[ ]" 1
609 1 63 ASP HB2 1 64 ILE HA 6.705 . 6.705 5.071 5.071 5.071 . 0 0 "[ ]" 1
610 1 55 ASP HA 1 62 ILE HG13 6.774 . 6.774 4.655 4.655 4.655 . 0 0 "[ ]" 1
611 1 20 ASN HA 1 21 GLY HA2 6.733 . 6.733 5.265 5.265 5.265 . 0 0 "[ ]" 1
612 1 25 ILE MG 1 30 PHE HA 5.000 3.700 6.000 3.464 3.464 3.464 0.236 1 0 "[ ]" 1
613 1 22 ASP HA 1 23 GLY HA2 6.736 . 6.736 5.026 5.026 5.026 . 0 0 "[ ]" 1
614 1 14 PHE QE 1 67 PHE HA 5.000 3.700 7.000 5.241 5.241 5.241 . 0 0 "[ ]" 1
615 1 30 PHE HZ 1 51 MET HG2 5.464 . 5.464 4.284 4.284 4.284 . 0 0 "[ ]" 1
616 1 30 PHE QE 1 51 MET HG2 3.700 . 5.700 2.618 2.618 2.618 . 0 0 "[ ]" 1
617 1 30 PHE QE 1 51 MET HG3 3.700 . 5.700 3.997 3.997 3.997 . 0 0 "[ ]" 1
618 1 30 PHE HZ 1 54 ALA MB 3.700 2.900 4.700 3.920 3.920 3.920 . 0 0 "[ ]" 1
619 1 10 ILE HB 1 67 PHE QD 5.000 3.700 7.000 5.273 5.273 5.273 . 0 0 "[ ]" 1
620 1 10 ILE HB 1 67 PHE QE 3.700 2.900 5.700 3.922 3.922 3.922 . 0 0 "[ ]" 1
621 1 30 PHE QD 1 47 VAL QG 5.000 3.700 8.000 1.980 1.980 1.980 1.720 1 1 [+] 1
622 1 30 PHE QE 1 47 VAL QG 5.000 3.700 8.000 2.734 2.734 2.734 0.966 1 1 [+] 1
623 1 30 PHE HZ 1 47 VAL QG 5.000 3.700 6.000 4.663 4.663 4.663 . 0 0 "[ ]" 1
624 1 19 ALA HA 1 24 VAL HA 11.000 9.000 11.000 9.014 9.014 9.014 . 0 0 "[ ]" 1
625 1 17 PHE QD 1 30 PHE HA 2.900 . 4.900 4.197 4.197 4.197 . 0 0 "[ ]" 1
626 1 17 PHE QE 1 30 PHE HA 2.900 . 4.900 2.130 2.130 2.130 . 0 0 "[ ]" 1
627 1 17 PHE QD 1 30 PHE HB3 6.733 . 8.733 6.088 6.088 6.088 . 0 0 "[ ]" 1
628 1 14 PHE HA 1 17 PHE QD 2.900 . 4.900 4.767 4.767 4.767 . 0 0 "[ ]" 1
629 1 14 PHE HB3 1 67 PHE QE 5.000 2.900 7.000 3.585 3.585 3.585 . 0 0 "[ ]" 1
630 1 14 PHE HB2 1 67 PHE QE 5.000 2.900 7.000 2.889 2.889 2.889 0.011 1 0 "[ ]" 1
631 1 14 PHE HA 1 67 PHE QE 5.000 3.700 7.000 4.185 4.185 4.185 . 0 0 "[ ]" 1
632 1 27 PHE QD 1 47 VAL QG 3.700 2.900 6.700 3.636 3.636 3.636 . 0 0 "[ ]" 1
633 1 14 PHE HZ 1 64 ILE HA 3.700 2.900 3.700 3.771 3.771 3.771 0.071 1 0 "[ ]" 1
634 1 14 PHE QE 1 64 ILE HA 3.700 2.900 5.700 3.238 3.238 3.238 . 0 0 "[ ]" 1
635 1 55 ASP HA 1 56 GLU HA 5.000 3.700 5.000 4.460 4.460 4.460 . 0 0 "[ ]" 1
636 1 55 ASP HA 1 62 ILE MG 5.000 3.700 6.000 2.784 2.784 2.784 0.916 1 1 [+] 1
637 1 63 ASP HA 1 64 ILE HA 5.000 3.700 5.000 4.168 4.168 4.168 . 0 0 "[ ]" 1
638 1 70 LEU QB 1 71 ILE HA 5.000 3.700 6.000 4.552 4.552 4.552 . 0 0 "[ ]" 1
639 1 10 ILE HA 1 71 ILE MD 5.000 3.700 6.000 3.791 3.791 3.791 . 0 0 "[ ]" 1
640 1 62 ILE MD 1 64 ILE HA 6.000 3.700 7.000 5.872 5.872 5.872 . 0 0 "[ ]" 1
641 1 25 ILE MD 1 64 ILE HA 5.000 3.700 6.000 4.902 4.902 4.902 . 0 0 "[ ]" 1
642 1 18 ASP HB2 1 25 ILE MD 5.000 2.900 6.000 3.547 3.547 3.547 . 0 0 "[ ]" 1
643 1 18 ASP HB3 1 25 ILE MD 5.000 2.900 6.000 4.741 4.741 4.741 . 0 0 "[ ]" 1
644 1 68 MET HA 1 71 ILE HB 3.700 2.900 3.700 2.991 2.991 2.991 . 0 0 "[ ]" 1
645 1 68 MET HA 1 71 ILE HA 6.000 3.700 6.000 5.565 5.565 5.565 . 0 0 "[ ]" 1
646 1 25 ILE HG12 1 62 ILE HA 8.796 2.704 8.796 7.928 7.928 7.928 . 0 0 "[ ]" 1
647 1 25 ILE HB 1 62 ILE HA 5.000 3.700 5.000 5.136 5.136 5.136 0.136 1 0 "[ ]" 1
648 1 61 VAL HA 1 62 ILE MG 5.000 3.700 6.000 5.142 5.142 5.142 . 0 0 "[ ]" 1
649 1 61 VAL QG 1 62 ILE HA 6.000 3.700 7.000 4.140 4.140 4.140 . 0 0 "[ ]" 1
650 1 14 PHE HA 1 17 PHE HA 5.000 3.700 5.000 5.209 5.209 5.209 0.209 1 0 "[ ]" 1
651 1 16 VAL QG 1 17 PHE HA 5.000 3.700 6.000 3.105 3.105 3.105 0.595 1 1 [+] 1
652 1 51 MET HA 1 54 ALA MB 3.700 2.900 4.700 2.534 2.534 2.534 0.366 1 0 "[ ]" 1
653 1 64 ILE HA 1 67 PHE HB2 5.419 . 5.419 4.192 4.192 4.192 . 0 0 "[ ]" 1
654 1 10 ILE HA 1 13 ALA MB 3.700 2.900 4.700 3.384 3.384 3.384 . 0 0 "[ ]" 1
655 1 13 ALA HA 1 16 VAL QG 5.000 3.700 6.000 2.639 2.639 2.639 1.061 1 1 [+] 1
656 1 25 ILE MD 1 67 PHE HB3 5.000 3.700 6.000 4.928 4.928 4.928 . 0 0 "[ ]" 1
657 1 25 ILE MD 1 67 PHE HB2 5.000 3.700 6.000 4.452 4.452 4.452 . 0 0 "[ ]" 1
658 1 62 ILE MG 1 67 PHE HB3 3.700 . 4.700 3.506 3.506 3.506 . 0 0 "[ ]" 1
659 1 62 ILE MG 1 67 PHE HB2 3.700 . 4.700 2.821 2.821 2.821 . 0 0 "[ ]" 1
660 1 60 GLY HA3 1 61 VAL QG 6.752 . 7.752 3.758 3.758 3.758 . 0 0 "[ ]" 1
661 1 24 VAL QG 1 63 ASP HB3 5.000 2.900 6.000 2.244 2.244 2.244 0.656 1 1 [+] 1
662 1 24 VAL QG 1 63 ASP HB2 5.000 2.900 6.000 3.358 3.358 3.358 . 0 0 "[ ]" 1
663 1 54 ALA MB 1 55 ASP HA 5.000 3.700 6.000 4.185 4.185 4.185 . 0 0 "[ ]" 1
664 1 30 PHE HA 1 33 ILE HB 3.700 2.900 3.700 3.833 3.833 3.833 0.133 1 0 "[ ]" 1
665 1 30 PHE HA 1 33 ILE MG 3.700 2.900 4.700 2.122 2.122 2.122 0.778 1 1 [+] 1
666 1 30 PHE HA 1 33 ILE MD 5.000 3.700 6.000 4.875 4.875 4.875 . 0 0 "[ ]" 1
667 1 15 LYS HA 1 18 ASP HB3 3.700 . 3.700 2.785 2.785 2.785 . 0 0 "[ ]" 1
668 1 15 LYS HA 1 18 ASP HB2 3.700 . 3.700 3.214 3.214 3.214 . 0 0 "[ ]" 1
669 1 64 ILE MG 1 68 MET ME 5.000 3.700 7.000 3.076 3.076 3.076 0.624 1 1 [+] 1
670 1 51 MET ME 1 62 ILE MD 3.700 2.900 5.700 2.450 2.450 2.450 0.450 1 0 "[ ]" 1
671 1 51 MET HB2 1 62 ILE MD 5.000 3.700 6.000 4.750 4.750 4.750 . 0 0 "[ ]" 1
672 1 51 MET HB3 1 62 ILE MD 5.000 3.700 6.000 4.905 4.905 4.905 . 0 0 "[ ]" 1
673 1 51 MET HA 1 62 ILE MD 5.000 3.700 6.000 3.313 3.313 3.313 0.387 1 0 "[ ]" 1
674 1 51 MET ME 1 62 ILE MG 5.000 3.700 7.000 4.114 4.114 4.114 . 0 0 "[ ]" 1
675 1 51 MET ME 1 62 ILE HG12 6.774 . 7.774 2.403 2.403 2.403 . 0 0 "[ ]" 1
676 1 10 ILE MG 1 68 MET ME 2.900 . 4.900 2.081 2.081 2.081 . 0 0 "[ ]" 1
677 1 17 PHE QB 1 25 ILE MD 3.700 2.900 4.700 2.264 2.264 2.264 0.636 1 1 [+] 1
678 1 14 PHE HA 1 25 ILE MD 2.900 . 3.900 3.167 3.167 3.167 . 0 0 "[ ]" 1
679 1 14 PHE HB3 1 25 ILE MD 6.715 . 7.715 4.704 4.704 4.704 . 0 0 "[ ]" 1
680 1 51 MET ME 1 55 ASP HA 5.000 3.700 6.000 4.145 4.145 4.145 . 0 0 "[ ]" 1
681 1 51 MET ME 1 61 VAL HA 3.700 2.900 4.700 2.702 2.702 2.702 0.198 1 0 "[ ]" 1
682 1 26 ASP HA 1 51 MET ME 3.700 2.900 4.700 2.712 2.712 2.712 0.188 1 0 "[ ]" 1
683 1 51 MET ME 1 62 ILE HA 5.000 3.700 6.000 4.588 4.588 4.588 . 0 0 "[ ]" 1
684 1 51 MET ME 1 55 ASP HB3 6.766 . 7.766 3.972 3.972 3.972 . 0 0 "[ ]" 1
685 1 11 LEU HA 1 14 PHE HB3 5.000 2.900 5.000 3.649 3.649 3.649 . 0 0 "[ ]" 1
686 1 11 LEU HA 1 14 PHE HB2 5.000 2.900 5.000 4.929 4.929 4.929 . 0 0 "[ ]" 1
687 1 10 ILE MG 1 11 LEU HA 3.700 2.900 4.700 3.479 3.479 3.479 . 0 0 "[ ]" 1
688 1 11 LEU HA 1 64 ILE MG 5.000 3.700 6.000 4.006 4.006 4.006 . 0 0 "[ ]" 1
689 1 11 LEU HA 1 64 ILE MD 5.000 3.700 6.000 4.881 4.881 4.881 . 0 0 "[ ]" 1
690 1 55 ASP HB3 1 62 ILE MD 5.000 3.700 6.000 4.708 4.708 4.708 . 0 0 "[ ]" 1
691 1 55 ASP HB2 1 62 ILE MD 5.000 3.700 6.000 3.560 3.560 3.560 0.140 1 0 "[ ]" 1
692 1 27 PHE HA 1 30 PHE HB3 3.700 2.900 3.700 2.849 2.849 2.849 0.051 1 0 "[ ]" 1
693 1 27 PHE HA 1 30 PHE HB2 3.700 2.900 3.700 2.832 2.832 2.832 0.068 1 0 "[ ]" 1
694 1 30 PHE HB3 1 51 MET ME 5.000 3.700 6.000 4.859 4.859 4.859 . 0 0 "[ ]" 1
695 1 30 PHE HB2 1 51 MET ME 5.000 3.700 6.000 4.080 4.080 4.080 . 0 0 "[ ]" 1
696 1 27 PHE HA 1 51 MET ME 5.000 3.700 6.000 2.977 2.977 2.977 0.723 1 1 [+] 1
697 1 27 PHE QB 1 51 MET ME 5.000 3.700 6.000 2.627 2.627 2.627 1.073 1 1 [+] 1
698 1 28 ASP HB3 1 29 GLU HA 5.000 3.700 5.000 4.582 4.582 4.582 . 0 0 "[ ]" 1
699 1 28 ASP HB2 1 29 GLU HA 5.000 3.700 5.000 4.843 4.843 4.843 . 0 0 "[ ]" 1
700 1 27 PHE QD 1 48 GLU QB 5.000 3.700 8.000 5.647 5.647 5.647 . 0 0 "[ ]" 1
701 1 27 PHE QD 1 48 GLU QG 5.000 3.700 8.000 4.756 4.756 4.756 . 0 0 "[ ]" 1
702 1 14 PHE QE 1 15 LYS HA 5.000 3.700 7.000 4.463 4.463 4.463 . 0 0 "[ ]" 1
703 1 14 PHE QD 1 67 PHE HA 5.000 3.700 7.000 4.678 4.678 4.678 . 0 0 "[ ]" 1
704 1 14 PHE QD 1 64 ILE HA 3.700 2.900 5.700 3.296 3.296 3.296 . 0 0 "[ ]" 1
705 1 23 GLY HA3 1 24 VAL HA 5.000 3.700 5.000 4.608 4.608 4.608 . 0 0 "[ ]" 1
706 1 23 GLY HA2 1 24 VAL HA 5.000 3.700 5.000 4.354 4.354 4.354 . 0 0 "[ ]" 1
707 1 43 THR HB 1 45 ALA MB 5.000 3.700 6.000 3.350 3.350 3.350 0.350 1 0 "[ ]" 1
708 1 43 THR MG 1 46 GLU HG3 5.000 2.900 6.000 5.122 5.122 5.122 . 0 0 "[ ]" 1
709 1 43 THR MG 1 46 GLU HG2 5.000 2.900 6.000 3.958 3.958 3.958 . 0 0 "[ ]" 1
710 1 43 THR MG 1 46 GLU QB 5.000 3.700 7.000 4.939 4.939 4.939 . 0 0 "[ ]" 1
711 1 44 ASP HA 1 45 ALA MB 5.000 3.700 6.000 5.004 5.004 5.004 . 0 0 "[ ]" 1
712 1 40 GLU HA 1 41 PRO QD 3.700 2.900 4.700 1.918 1.918 1.918 0.982 1 1 [+] 1
713 1 35 GLN QG 1 40 GLU HA 3.700 2.900 4.700 4.514 4.514 4.514 . 0 0 "[ ]" 1
714 1 40 GLU QG 1 41 PRO QD 3.700 2.900 5.700 3.159 3.159 3.159 . 0 0 "[ ]" 1
715 1 40 GLU HB3 1 41 PRO QD 3.700 2.900 4.700 4.296 4.296 4.296 . 0 0 "[ ]" 1
716 1 40 GLU HB2 1 41 PRO QD 3.700 2.900 4.700 4.186 4.186 4.186 . 0 0 "[ ]" 1
717 1 34 MET HB3 1 41 PRO QD 5.000 3.700 6.000 5.533 5.533 5.533 . 0 0 "[ ]" 1
718 1 34 MET HB2 1 41 PRO QD 5.000 3.700 6.000 5.375 5.375 5.375 . 0 0 "[ ]" 1
719 1 35 GLN HA 1 36 LYS QG 5.000 3.700 6.000 4.432 4.432 4.432 . 0 0 "[ ]" 1
720 1 34 MET HA 1 36 LYS QG 5.000 3.700 6.000 5.354 5.354 5.354 . 0 0 "[ ]" 1
721 1 35 GLN QB 1 36 LYS QD 3.700 2.900 5.700 4.353 4.353 4.353 . 0 0 "[ ]" 1
722 1 41 PRO HA 1 41 PRO QG 3.700 2.900 4.700 3.640 3.640 3.640 . 0 0 "[ ]" 1
723 1 41 PRO HA 1 41 PRO QD 3.700 2.900 4.700 3.513 3.513 3.513 . 0 0 "[ ]" 1
724 1 41 PRO HA 1 42 LEU QB 3.700 2.900 4.700 4.140 4.140 4.140 . 0 0 "[ ]" 1
725 1 27 PHE QD 1 30 PHE HB2 6.733 . 8.733 3.675 3.675 3.675 . 0 0 "[ ]" 1
726 1 18 ASP HA 1 19 ALA MB 5.000 3.700 6.000 3.967 3.967 3.967 . 0 0 "[ ]" 1
727 1 63 ASP HB3 1 65 PRO HD3 5.000 2.900 5.000 5.103 5.103 5.103 0.103 1 0 "[ ]" 1
728 1 63 ASP HB2 1 65 PRO HD3 5.000 2.900 5.000 3.528 3.528 3.528 . 0 0 "[ ]" 1
729 1 63 ASP HB3 1 65 PRO HD2 5.000 2.900 5.000 4.067 4.067 4.067 . 0 0 "[ ]" 1
730 1 63 ASP HB2 1 65 PRO HD2 5.000 2.900 5.000 2.801 2.801 2.801 0.099 1 0 "[ ]" 1
731 1 25 ILE HA 1 29 GLU HG3 5.000 3.700 5.000 5.117 5.117 5.117 0.117 1 0 "[ ]" 1
732 1 64 ILE MG 1 68 MET QG 3.700 2.900 4.700 2.194 2.194 2.194 0.706 1 1 [+] 1
733 1 10 ILE QG 1 68 MET QG 8.359 . 8.359 4.449 4.449 4.449 . 0 0 "[ ]" 1
734 1 10 ILE MG 1 68 MET QG 5.000 . 6.000 3.013 3.013 3.013 . 0 0 "[ ]" 1
735 1 25 ILE MG 1 30 PHE HB3 6.733 . 7.733 4.097 4.097 4.097 . 0 0 "[ ]" 1
736 1 10 ILE QG 1 68 MET ME 3.700 2.900 4.700 2.364 2.364 2.364 0.536 1 1 [+] 1
737 1 62 ILE MG 1 66 GLU HA 5.000 3.700 6.000 4.563 4.563 4.563 . 0 0 "[ ]" 1
738 1 62 ILE MG 1 66 GLU HB3 4.624 . 5.624 2.686 2.686 2.686 . 0 0 "[ ]" 1
739 1 62 ILE MG 1 66 GLU HG3 6.747 . 7.747 3.901 3.901 3.901 . 0 0 "[ ]" 1
740 1 25 ILE MD 1 33 ILE MG 5.000 3.700 7.000 4.707 4.707 4.707 . 0 0 "[ ]" 1
741 1 25 ILE MD 1 62 ILE MD 3.700 2.900 5.700 2.466 2.466 2.466 0.434 1 0 "[ ]" 1
742 1 25 ILE MD 1 62 ILE MG 3.700 2.900 5.700 3.645 3.645 3.645 . 0 0 "[ ]" 1
743 1 25 ILE MD 1 62 ILE HG13 5.474 . 6.474 3.949 3.949 3.949 . 0 0 "[ ]" 1
744 1 10 ILE MG 1 71 ILE MD 3.700 2.900 5.700 3.614 3.614 3.614 . 0 0 "[ ]" 1
745 1 10 ILE QG 1 71 ILE MD 6.640 2.060 7.640 4.273 4.273 4.273 . 0 0 "[ ]" 1
746 1 16 VAL QG 1 33 ILE MD 5.000 3.700 7.000 4.092 4.092 4.092 . 0 0 "[ ]" 1
747 1 24 VAL QG 1 61 VAL HA 5.000 3.700 6.000 3.864 3.864 3.864 . 0 0 "[ ]" 1
748 1 24 VAL HB 1 61 VAL QG 3.700 2.900 4.700 3.946 3.946 3.946 . 0 0 "[ ]" 1
749 1 24 VAL QG 1 61 VAL HB 2.900 . 3.900 3.057 3.057 3.057 . 0 0 "[ ]" 1
750 1 17 PHE QD 1 33 ILE MD 3.700 2.900 6.700 4.074 4.074 4.074 . 0 0 "[ ]" 1
751 1 17 PHE QD 1 33 ILE MG 5.000 3.700 8.000 3.124 3.124 3.124 0.576 1 1 [+] 1
752 1 17 PHE HA 1 33 ILE MD 3.700 2.900 4.700 2.926 2.926 2.926 . 0 0 "[ ]" 1
753 1 17 PHE QB 1 33 ILE MG 5.000 3.700 6.000 4.338 4.338 4.338 . 0 0 "[ ]" 1
754 1 49 GLU QB 1 52 LYS QB 5.000 3.700 7.000 4.481 4.481 4.481 . 0 0 "[ ]" 1
755 1 49 GLU HA 1 52 LYS QB 5.000 3.700 6.000 2.805 2.805 2.805 0.895 1 1 [+] 1
756 1 52 LYS HA 1 55 ASP HB3 5.466 . 5.466 3.704 3.704 3.704 . 0 0 "[ ]" 1
757 1 51 MET HA 1 52 LYS QB 5.000 3.700 6.000 5.382 5.382 5.382 . 0 0 "[ ]" 1
758 1 51 MET HB3 1 52 LYS QE 6.697 2.003 7.697 5.888 5.888 5.888 . 0 0 "[ ]" 1
759 1 7 GLU HG3 1 10 ILE MG 6.768 . 7.768 6.428 6.428 6.428 . 0 0 "[ ]" 1
760 1 51 MET HA 1 54 ALA HA 5.000 3.700 5.000 5.192 5.192 5.192 0.192 1 0 "[ ]" 1
761 1 24 VAL QG 1 61 VAL QG 5.000 3.700 7.000 1.869 1.869 1.869 1.831 1 1 [+] 1
762 1 56 GLU H 1 66 GLU HG3 5.000 . 5.000 5.019 5.019 5.019 0.019 1 0 "[ ]" 1
763 1 56 GLU QB 1 66 GLU HG3 4.647 . 5.647 4.027 4.027 4.027 . 0 0 "[ ]" 1
764 1 51 MET ME 1 60 GLY HA2 6.752 . 7.752 2.716 2.716 2.716 . 0 0 "[ ]" 1
765 1 66 GLU HA 1 69 ASP HB3 3.700 2.900 3.700 3.463 3.463 3.463 . 0 0 "[ ]" 1
766 1 66 GLU HA 1 69 ASP HB2 3.700 2.900 3.700 3.588 3.588 3.588 . 0 0 "[ ]" 1
767 1 62 ILE HA 1 66 GLU HB2 5.000 3.700 5.000 3.655 3.655 3.655 0.045 1 0 "[ ]" 1
768 1 54 ALA HA 1 56 GLU HG3 5.000 3.700 5.000 5.024 5.024 5.024 0.024 1 0 "[ ]" 1
769 1 54 ALA HA 1 56 GLU HG2 5.000 3.700 5.000 4.882 4.882 4.882 . 0 0 "[ ]" 1
770 1 10 ILE MD 1 68 MET HA 5.000 3.700 6.000 2.729 2.729 2.729 0.971 1 1 [+] 1
771 1 10 ILE QG 1 68 MET HA 5.000 3.700 5.000 3.543 3.543 3.543 0.157 1 0 "[ ]" 1
772 1 15 LYS QE 1 68 MET ME 5.000 3.700 7.000 4.988 4.988 4.988 . 0 0 "[ ]" 1
773 1 10 ILE MD 1 68 MET ME 3.700 2.900 5.700 3.806 3.806 3.806 . 0 0 "[ ]" 1
774 1 10 ILE HB 1 68 MET HB3 6.768 . 6.768 4.121 4.121 4.121 . 0 0 "[ ]" 1
775 1 15 LYS QG 1 68 MET HB3 6.768 . 7.768 7.042 7.042 7.042 . 0 0 "[ ]" 1
776 1 54 ALA MB 1 62 ILE MD 2.900 . 4.900 1.980 1.980 1.980 . 0 0 "[ ]" 1
777 1 54 ALA MB 1 70 LEU QD 2.900 . 4.900 2.777 2.777 2.777 . 0 0 "[ ]" 1
778 1 54 ALA HA 1 70 LEU QD 3.700 2.900 4.700 2.013 2.013 2.013 0.887 1 1 [+] 1
779 1 54 ALA HA 1 62 ILE MD 5.000 3.700 6.000 3.758 3.758 3.758 . 0 0 "[ ]" 1
780 1 11 LEU HB3 1 64 ILE MG 5.000 3.700 6.000 4.976 4.976 4.976 . 0 0 "[ ]" 1
781 1 11 LEU HB2 1 64 ILE MG 5.000 3.700 6.000 4.897 4.897 4.897 . 0 0 "[ ]" 1
782 1 11 LEU HB3 1 64 ILE MD 6.729 . 7.729 5.578 5.578 5.578 . 0 0 "[ ]" 1
783 1 10 ILE QG 1 71 ILE MG 5.340 . 6.340 4.317 4.317 4.317 . 0 0 "[ ]" 1
784 1 10 ILE QG 1 71 ILE HG13 7.066 . 7.066 6.427 6.427 6.427 . 0 0 "[ ]" 1
785 1 50 ALA MB 1 51 MET H 3.700 2.900 4.700 2.683 2.683 2.683 0.217 1 0 "[ ]" 1
786 1 50 ALA HA 1 53 GLU HB3 5.000 2.900 5.000 4.519 4.519 4.519 . 0 0 "[ ]" 1
787 1 50 ALA HA 1 53 GLU HB2 5.000 2.900 5.000 2.894 2.894 2.894 0.006 1 0 "[ ]" 1
788 1 22 ASP HA 1 67 PHE HA 18.000 14.000 18.000 16.862 16.862 16.862 . 0 0 "[ ]" 1
789 1 20 ASN HA 1 30 PHE HA 12.000 8.000 12.000 10.065 10.065 10.065 . 0 0 "[ ]" 1
790 1 18 ASP HB2 1 25 ILE HG13 7.120 . 7.120 3.403 3.403 3.403 . 0 0 "[ ]" 1
791 1 23 GLY HA3 1 64 ILE MD 3.700 . 4.700 3.769 3.769 3.769 . 0 0 "[ ]" 1
792 1 23 GLY HA2 1 64 ILE MD 3.700 . 4.700 3.670 3.670 3.670 . 0 0 "[ ]" 1
793 1 15 LYS QE 1 64 ILE HG13 6.748 . 7.748 4.421 4.421 4.421 . 0 0 "[ ]" 1
794 1 15 LYS QE 1 64 ILE MD 2.900 . 4.900 2.031 2.031 2.031 . 0 0 "[ ]" 1
795 1 10 ILE MG 1 67 PHE HZ 3.700 2.900 4.700 3.823 3.823 3.823 . 0 0 "[ ]" 1
796 1 10 ILE MG 1 67 PHE QE 2.900 . 5.900 1.896 1.896 1.896 . 0 0 "[ ]" 1
797 1 10 ILE HA 1 67 PHE HZ 3.700 2.900 3.700 2.876 2.876 2.876 0.024 1 0 "[ ]" 1
798 1 21 GLY HA3 1 22 ASP H 3.700 2.900 3.700 3.386 3.386 3.386 . 0 0 "[ ]" 1
799 1 21 GLY HA2 1 22 ASP H 3.700 2.900 3.700 3.400 3.400 3.400 . 0 0 "[ ]" 1
800 1 17 PHE HZ 1 30 PHE HA 2.900 . 2.900 2.936 2.936 2.936 0.036 1 0 "[ ]" 1
801 1 17 PHE HZ 1 30 PHE HB3 5.000 3.700 5.000 4.543 4.543 4.543 . 0 0 "[ ]" 1
802 1 17 PHE HZ 1 30 PHE HB2 5.000 3.700 5.000 4.511 4.511 4.511 . 0 0 "[ ]" 1
803 1 25 ILE MG 1 26 ASP HA 5.000 3.700 6.000 3.593 3.593 3.593 0.107 1 0 "[ ]" 1
804 1 19 ALA H 1 29 GLU HG2 5.000 2.900 5.000 4.826 4.826 4.826 . 0 0 "[ ]" 1
805 1 56 GLU H 1 66 GLU HB3 5.424 . 5.424 3.074 3.074 3.074 . 0 0 "[ ]" 1
806 1 56 GLU H 1 66 GLU HG2 5.000 . 5.000 3.835 3.835 3.835 . 0 0 "[ ]" 1
807 1 25 ILE HB 1 62 ILE HB 2.900 . 2.900 2.622 2.622 2.622 . 0 0 "[ ]" 1
808 1 18 ASP HA 1 25 ILE HG12 3.700 . 3.700 2.200 2.200 2.200 . 0 0 "[ ]" 1
809 1 18 ASP HA 1 25 ILE HG13 3.700 . 3.700 2.633 2.633 2.633 . 0 0 "[ ]" 1
810 1 18 ASP HA 1 23 GLY HA2 6.736 . 6.736 5.279 5.279 5.279 . 0 0 "[ ]" 1
811 1 31 LYS HA 1 34 MET HB3 3.700 2.900 3.700 2.620 2.620 2.620 0.280 1 0 "[ ]" 1
812 1 31 LYS HA 1 34 MET HB2 3.700 2.900 3.700 3.830 3.830 3.830 0.130 1 0 "[ ]" 1
813 1 19 ALA HA 1 21 GLY H 5.000 3.700 5.000 4.232 4.232 4.232 . 0 0 "[ ]" 1
814 1 18 ASP HB3 1 21 GLY H 5.000 3.700 5.000 4.362 4.362 4.362 . 0 0 "[ ]" 1
815 1 18 ASP HB2 1 21 GLY H 5.000 3.700 5.000 5.041 5.041 5.041 0.041 1 0 "[ ]" 1
816 1 18 ASP HB3 1 21 GLY HA2 8.357 . 8.357 4.328 4.328 4.328 . 0 0 "[ ]" 1
817 1 23 GLY H 1 24 VAL QG 5.000 3.700 6.000 4.578 4.578 4.578 . 0 0 "[ ]" 1
818 1 18 ASP H 1 25 ILE HG12 5.000 2.900 5.000 4.067 4.067 4.067 . 0 0 "[ ]" 1
819 1 16 VAL HA 1 18 ASP H 4.600 4.200 4.600 4.356 4.356 4.356 . 0 0 "[ ]" 1
820 1 14 PHE HA 1 18 ASP H 5.000 3.700 5.000 4.090 4.090 4.090 . 0 0 "[ ]" 1
821 1 14 PHE QE 1 18 ASP H 5.000 3.700 7.000 4.609 4.609 4.609 . 0 0 "[ ]" 1
822 1 14 PHE QD 1 18 ASP H 3.700 2.900 5.700 3.960 3.960 3.960 . 0 0 "[ ]" 1
823 1 35 GLN QG 1 42 LEU QB 5.000 3.700 5.000 3.663 3.663 3.663 0.037 1 0 "[ ]" 1
824 1 34 MET HG3 1 41 PRO QG 5.000 3.700 5.000 4.526 4.526 4.526 . 0 0 "[ ]" 1
825 1 40 GLU QG 1 42 LEU QB 5.000 3.700 5.000 2.263 2.263 2.263 1.437 1 1 [+] 1
826 1 40 GLU HA 1 42 LEU QB 5.000 3.700 5.000 4.046 4.046 4.046 . 0 0 "[ ]" 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 64
_Distance_constraint_stats_list.Viol_count 44
_Distance_constraint_stats_list.Viol_total 3.679
_Distance_constraint_stats_list.Viol_max 0.200
_Distance_constraint_stats_list.Viol_rms 0.0580
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0575
_Distance_constraint_stats_list.Viol_average_violations_only 0.0836
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 GLU 0.171 0.151 1 0 "[ ]"
1 8 GLU 0.056 0.056 1 0 "[ ]"
1 9 GLU 0.304 0.164 1 0 "[ ]"
1 10 ILE 0.081 0.051 1 0 "[ ]"
1 11 LEU 0.260 0.151 1 0 "[ ]"
1 12 ARG 0.348 0.200 1 0 "[ ]"
1 13 ALA 0.500 0.164 1 0 "[ ]"
1 14 PHE 0.081 0.051 1 0 "[ ]"
1 15 LYS 0.089 0.089 1 0 "[ ]"
1 16 VAL 0.292 0.200 1 0 "[ ]"
1 17 PHE 0.197 0.101 1 0 "[ ]"
1 18 ASP 0.000 0.000 . 0 "[ ]"
1 20 ASN 0.189 0.189 1 0 "[ ]"
1 22 ASP 0.243 0.189 1 0 "[ ]"
1 23 GLY 0.000 0.000 . 0 "[ ]"
1 24 VAL 0.054 0.054 1 0 "[ ]"
1 25 ILE 0.000 0.000 . 0 "[ ]"
1 27 PHE 0.160 0.087 1 0 "[ ]"
1 28 ASP 0.167 0.102 1 0 "[ ]"
1 29 GLU 0.064 0.033 1 0 "[ ]"
1 30 PHE 0.176 0.176 1 0 "[ ]"
1 31 LYS 0.160 0.087 1 0 "[ ]"
1 32 PHE 0.167 0.102 1 0 "[ ]"
1 33 ILE 0.064 0.033 1 0 "[ ]"
1 34 MET 0.176 0.176 1 0 "[ ]"
1 44 ASP 0.000 0.000 . 0 "[ ]"
1 45 ALA 0.098 0.062 1 0 "[ ]"
1 46 GLU 0.197 0.099 1 0 "[ ]"
1 47 VAL 0.274 0.146 1 0 "[ ]"
1 48 GLU 0.058 0.033 1 0 "[ ]"
1 49 GLU 0.196 0.062 1 0 "[ ]"
1 50 ALA 0.444 0.125 1 0 "[ ]"
1 51 MET 0.274 0.146 1 0 "[ ]"
1 52 LYS 0.058 0.033 1 0 "[ ]"
1 53 GLU 0.098 0.052 1 0 "[ ]"
1 54 ALA 0.247 0.125 1 0 "[ ]"
1 55 ASP 0.000 0.000 . 0 "[ ]"
1 57 ASP 0.103 0.103 1 0 "[ ]"
1 59 ASN 0.111 0.103 1 0 "[ ]"
1 60 GLY 0.000 0.000 . 0 "[ ]"
1 61 VAL 0.007 0.007 1 0 "[ ]"
1 62 ILE 0.000 0.000 . 0 "[ ]"
1 63 ASP 0.071 0.039 1 0 "[ ]"
1 66 GLU 0.207 0.084 1 0 "[ ]"
1 67 PHE 0.186 0.099 1 0 "[ ]"
1 68 MET 0.000 0.000 . 0 "[ ]"
1 69 ASP 0.204 0.173 1 0 "[ ]"
1 70 LEU 0.136 0.084 1 0 "[ ]"
1 71 ILE 0.186 0.099 1 0 "[ ]"
1 72 LYS 0.000 0.000 . 0 "[ ]"
1 73 LYS 0.204 0.173 1 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 25 ILE O 1 62 ILE H . . 2.000 1.997 1.997 1.997 . 0 0 "[ ]" 2
2 1 25 ILE O 1 62 ILE N . 2.700 3.000 2.858 2.858 2.858 . 0 0 "[ ]" 2
3 1 25 ILE H 1 62 ILE O . . 2.000 1.892 1.892 1.892 . 0 0 "[ ]" 2
4 1 25 ILE N 1 62 ILE O . 2.700 3.000 2.909 2.909 2.909 . 0 0 "[ ]" 2
5 1 18 ASP OD1 1 23 GLY H . . 2.300 2.298 2.298 2.298 . 0 0 "[ ]" 2
6 1 18 ASP OD1 1 23 GLY N . 2.800 3.300 2.907 2.907 2.907 . 0 0 "[ ]" 2
7 1 55 ASP OD1 1 60 GLY H . . 2.300 2.037 2.037 2.037 . 0 0 "[ ]" 2
8 1 55 ASP OD1 1 60 GLY N . 2.800 3.300 2.911 2.911 2.911 . 0 0 "[ ]" 2
9 1 7 GLU O 1 11 LEU H . . 2.000 2.151 2.151 2.151 0.151 1 0 "[ ]" 2
10 1 7 GLU O 1 11 LEU N . 2.700 3.000 3.019 3.019 3.019 0.019 1 0 "[ ]" 2
11 1 8 GLU O 1 12 ARG H . . 2.000 2.056 2.056 2.056 0.056 1 0 "[ ]" 2
12 1 8 GLU O 1 12 ARG N . 2.700 3.000 3.000 3.000 3.000 0.000 1 0 "[ ]" 2
13 1 9 GLU O 1 13 ALA H . . 2.000 2.140 2.140 2.140 0.140 1 0 "[ ]" 2
14 1 9 GLU O 1 13 ALA N . 2.700 3.000 3.164 3.164 3.164 0.164 1 0 "[ ]" 2
15 1 10 ILE O 1 14 PHE H . . 2.000 2.051 2.051 2.051 0.051 1 0 "[ ]" 2
16 1 10 ILE O 1 14 PHE N . 2.700 3.000 3.030 3.030 3.030 0.030 1 0 "[ ]" 2
17 1 11 LEU O 1 15 LYS H . . 2.000 2.089 2.089 2.089 0.089 1 0 "[ ]" 2
18 1 11 LEU O 1 15 LYS N . 2.700 3.000 2.857 2.857 2.857 . 0 0 "[ ]" 2
19 1 12 ARG O 1 16 VAL N . 2.700 3.000 3.092 3.092 3.092 0.092 1 0 "[ ]" 2
20 1 12 ARG O 1 16 VAL H . . 2.000 2.200 2.200 2.200 0.200 1 0 "[ ]" 2
21 1 13 ALA O 1 17 PHE H . . 2.000 2.096 2.096 2.096 0.096 1 0 "[ ]" 2
22 1 13 ALA O 1 17 PHE N . 2.700 3.000 3.101 3.101 3.101 0.101 1 0 "[ ]" 2
23 1 27 PHE O 1 31 LYS H . . 2.000 2.087 2.087 2.087 0.087 1 0 "[ ]" 2
24 1 27 PHE O 1 31 LYS N . 2.700 3.000 3.073 3.073 3.073 0.073 1 0 "[ ]" 2
25 1 28 ASP O 1 32 PHE H . . 2.000 2.102 2.102 2.102 0.102 1 0 "[ ]" 2
26 1 28 ASP O 1 32 PHE N . 2.700 3.000 3.064 3.064 3.064 0.064 1 0 "[ ]" 2
27 1 29 GLU O 1 33 ILE N . 2.700 3.000 3.031 3.031 3.031 0.031 1 0 "[ ]" 2
28 1 29 GLU O 1 33 ILE H . . 2.000 2.033 2.033 2.033 0.033 1 0 "[ ]" 2
29 1 30 PHE O 1 34 MET H . . 2.000 2.176 2.176 2.176 0.176 1 0 "[ ]" 2
30 1 30 PHE O 1 34 MET N . 2.700 3.000 2.933 2.933 2.933 . 0 0 "[ ]" 2
31 1 44 ASP O 1 48 GLU H . . 2.000 1.923 1.923 1.923 . 0 0 "[ ]" 2
32 1 44 ASP O 1 48 GLU N . 2.700 3.000 2.872 2.872 2.872 . 0 0 "[ ]" 2
33 1 45 ALA O 1 49 GLU H . . 2.000 2.062 2.062 2.062 0.062 1 0 "[ ]" 2
34 1 45 ALA O 1 49 GLU N . 2.700 3.000 3.036 3.036 3.036 0.036 1 0 "[ ]" 2
35 1 46 GLU O 1 50 ALA H . . 2.000 2.099 2.099 2.099 0.099 1 0 "[ ]" 2
36 1 46 GLU O 1 50 ALA N . 2.700 3.000 3.098 3.098 3.098 0.098 1 0 "[ ]" 2
37 1 47 VAL O 1 51 MET H . . 2.000 2.146 2.146 2.146 0.146 1 0 "[ ]" 2
38 1 47 VAL O 1 51 MET N . 2.700 3.000 3.129 3.129 3.129 0.129 1 0 "[ ]" 2
39 1 48 GLU O 1 52 LYS H . . 2.000 2.033 2.033 2.033 0.033 1 0 "[ ]" 2
40 1 48 GLU O 1 52 LYS N . 2.700 3.000 3.025 3.025 3.025 0.025 1 0 "[ ]" 2
41 1 49 GLU O 1 53 GLU H . . 2.000 2.046 2.046 2.046 0.046 1 0 "[ ]" 2
42 1 49 GLU O 1 53 GLU N . 2.700 3.000 3.052 3.052 3.052 0.052 1 0 "[ ]" 2
43 1 50 ALA O 1 54 ALA H . . 2.000 2.122 2.122 2.122 0.122 1 0 "[ ]" 2
44 1 50 ALA O 1 54 ALA N . 2.700 3.000 3.125 3.125 3.125 0.125 1 0 "[ ]" 2
45 1 66 GLU O 1 70 LEU H . . 2.000 2.084 2.084 2.084 0.084 1 0 "[ ]" 2
46 1 66 GLU O 1 70 LEU N . 2.700 3.000 3.052 3.052 3.052 0.052 1 0 "[ ]" 2
47 1 67 PHE O 1 71 ILE H . . 2.000 2.088 2.088 2.088 0.088 1 0 "[ ]" 2
48 1 67 PHE O 1 71 ILE N . 2.700 3.000 3.099 3.099 3.099 0.099 1 0 "[ ]" 2
49 1 68 MET O 1 72 LYS H . . 2.000 1.884 1.884 1.884 . 0 0 "[ ]" 2
50 1 68 MET O 1 72 LYS N . 2.700 3.000 2.810 2.810 2.810 . 0 0 "[ ]" 2
51 1 69 ASP O 1 73 LYS N . 2.700 3.000 3.031 3.031 3.031 0.031 1 0 "[ ]" 2
52 1 69 ASP O 1 73 LYS H . . 2.000 2.173 2.173 2.173 0.173 1 0 "[ ]" 2
53 1 20 ASN OD1 1 22 ASP H . . 2.500 2.689 2.689 2.689 0.189 1 0 "[ ]" 2
54 1 20 ASN OD1 1 22 ASP N . 2.700 3.500 3.470 3.470 3.470 . 0 0 "[ ]" 2
55 1 22 ASP OD1 1 24 VAL H . . 2.500 2.554 2.554 2.554 0.054 1 0 "[ ]" 2
56 1 22 ASP OD1 1 24 VAL N . 2.700 3.500 3.367 3.367 3.367 . 0 0 "[ ]" 2
57 1 55 ASP OD1 1 57 ASP H . . 2.500 2.113 2.113 2.113 . 0 0 "[ ]" 2
58 1 55 ASP OD1 1 57 ASP N . 2.700 3.500 3.056 3.056 3.056 . 0 0 "[ ]" 2
59 1 57 ASP OD1 1 59 ASN H . . 2.500 2.603 2.603 2.603 0.103 1 0 "[ ]" 2
60 1 57 ASP OD1 1 59 ASN N . 2.700 3.500 3.409 3.409 3.409 . 0 0 "[ ]" 2
61 1 59 ASN OD1 1 61 VAL H . . 2.500 2.507 2.507 2.507 0.007 1 0 "[ ]" 2
62 1 59 ASN OD1 1 61 VAL N . 2.700 3.500 3.448 3.448 3.448 . 0 0 "[ ]" 2
63 1 63 ASP OD1 1 66 GLU H . . 2.500 2.539 2.539 2.539 0.039 1 0 "[ ]" 2
64 1 63 ASP OD1 1 66 GLU N . 2.700 3.500 3.532 3.532 3.532 0.032 1 0 "[ ]" 2
stop_
save_
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