NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_dress | stage | program | type | subtype | subsubtype |
|
|
374555 |
1eig   |
4590 | cing | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1eig
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 694
_Distance_constraint_stats_list.Viol_count 42
_Distance_constraint_stats_list.Viol_total 1.843
_Distance_constraint_stats_list.Viol_max 0.145
_Distance_constraint_stats_list.Viol_rms 0.0134
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0027
_Distance_constraint_stats_list.Viol_average_violations_only 0.0439
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 VAL 0.000 0.000 . 0 "[ ]"
1 2 VAL 0.000 0.000 . 0 "[ ]"
1 3 ILE 0.000 0.000 . 0 "[ ]"
1 4 PRO 0.012 0.012 1 0 "[ ]"
1 5 SER 0.012 0.012 1 0 "[ ]"
1 6 PRO 0.000 0.000 . 0 "[ ]"
1 7 CYS 0.000 0.000 . 0 "[ ]"
1 8 CYS 0.000 0.000 . 0 "[ ]"
1 9 MET 0.000 0.000 . 0 "[ ]"
1 10 PHE 0.000 0.000 . 0 "[ ]"
1 11 PHE 0.000 0.000 . 0 "[ ]"
1 12 VAL 0.035 0.034 1 0 "[ ]"
1 13 SER 0.000 0.000 . 0 "[ ]"
1 14 LYS 0.000 0.000 . 0 "[ ]"
1 15 ARG 0.063 0.062 1 0 "[ ]"
1 16 ILE 0.146 0.145 1 0 "[ ]"
1 17 PRO 0.145 0.145 1 0 "[ ]"
1 18 GLU 0.004 0.004 1 0 "[ ]"
1 19 ASN 0.000 0.000 . 0 "[ ]"
1 20 ARG 0.147 0.110 1 0 "[ ]"
1 21 VAL 0.041 0.037 1 0 "[ ]"
1 22 VAL 0.095 0.095 1 0 "[ ]"
1 23 SER 0.000 0.000 . 0 "[ ]"
1 24 TYR 0.176 0.112 1 0 "[ ]"
1 25 GLN 0.000 0.000 . 0 "[ ]"
1 26 LEU 0.084 0.084 1 0 "[ ]"
1 27 SER 0.103 0.085 1 0 "[ ]"
1 28 SER 0.000 0.000 . 0 "[ ]"
1 29 ARG 0.000 0.000 . 0 "[ ]"
1 30 SER 0.000 0.000 . 0 "[ ]"
1 31 THR 0.000 0.000 . 0 "[ ]"
1 32 CYS 0.000 0.000 . 0 "[ ]"
1 33 LEU 0.124 0.059 1 0 "[ ]"
1 34 LYS 0.015 0.015 1 0 "[ ]"
1 35 ALA 0.000 0.000 . 0 "[ ]"
1 36 GLY 0.000 0.000 . 0 "[ ]"
1 37 VAL 0.117 0.084 1 0 "[ ]"
1 38 ILE 0.018 0.018 1 0 "[ ]"
1 39 PHE 0.059 0.030 1 0 "[ ]"
1 40 THR 0.074 0.074 1 0 "[ ]"
1 41 THR 0.072 0.047 1 0 "[ ]"
1 42 LYS 0.000 0.000 . 0 "[ ]"
1 43 LYS 0.000 0.000 . 0 "[ ]"
1 44 GLY 0.080 0.080 1 0 "[ ]"
1 45 GLN 0.000 0.000 . 0 "[ ]"
1 46 GLN 0.052 0.027 1 0 "[ ]"
1 47 SER 0.042 0.027 1 0 "[ ]"
1 48 CYS 0.000 0.000 . 0 "[ ]"
1 49 GLY 0.108 0.074 1 0 "[ ]"
1 50 ASP 0.074 0.074 1 0 "[ ]"
1 51 PRO 0.036 0.036 1 0 "[ ]"
1 52 LYS 0.000 0.000 . 0 "[ ]"
1 53 GLN 0.000 0.000 . 0 "[ ]"
1 54 GLU 0.000 0.000 . 0 "[ ]"
1 55 TRP 0.141 0.078 1 0 "[ ]"
1 56 VAL 0.036 0.036 1 0 "[ ]"
1 57 GLN 0.074 0.074 1 0 "[ ]"
1 58 ARG 0.000 0.000 . 0 "[ ]"
1 59 TYR 0.085 0.047 1 0 "[ ]"
1 60 MET 0.158 0.074 1 0 "[ ]"
1 61 LYS 0.000 0.000 . 0 "[ ]"
1 62 ASN 0.045 0.039 1 0 "[ ]"
1 63 LEU 0.124 0.038 1 0 "[ ]"
1 64 ASP 0.024 0.019 1 0 "[ ]"
1 65 ALA 0.000 0.000 . 0 "[ ]"
1 66 LYS 0.062 0.062 1 0 "[ ]"
1 67 GLN 0.062 0.062 1 0 "[ ]"
1 68 LYS 0.000 0.000 . 0 "[ ]"
1 69 LYS 0.000 0.000 . 0 "[ ]"
1 70 ALA 0.034 0.034 1 0 "[ ]"
1 71 SER 0.034 0.034 1 0 "[ ]"
1 72 PRO 0.000 0.000 . 0 "[ ]"
1 73 ARG 0.000 0.000 . 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 2 VAL HA 1 2 VAL HB 2.700 . 2.700 2.452 2.452 2.452 . 0 0 "[ ]" 1
2 1 3 ILE HA 1 3 ILE HB 2.700 . 2.700 2.412 2.412 2.412 . 0 0 "[ ]" 1
3 1 3 ILE HA 1 3 ILE MD 3.300 . 4.800 2.838 2.838 2.838 . 0 0 "[ ]" 1
4 1 3 ILE HA 1 3 ILE QG 3.300 . 4.300 2.652 2.652 2.652 . 0 0 "[ ]" 1
5 1 3 ILE HA 1 3 ILE MG 2.700 . 4.200 3.182 3.182 3.182 . 0 0 "[ ]" 1
6 1 4 PRO QB 1 4 PRO QD 3.300 . 5.300 2.826 2.826 2.826 . 0 0 "[ ]" 1
7 1 6 PRO HA 1 6 PRO QG 2.700 . 3.700 3.499 3.499 3.499 . 0 0 "[ ]" 1
8 1 12 VAL HA 1 12 VAL HB 2.700 . 2.700 2.577 2.577 2.577 . 0 0 "[ ]" 1
9 1 12 VAL HA 1 12 VAL QG 2.700 . 5.200 2.221 2.221 2.221 . 0 0 "[ ]" 1
10 1 12 VAL HA 1 12 VAL MG1 3.300 . 4.800 2.267 2.267 2.267 . 0 0 "[ ]" 1
11 1 14 LYS QE 1 14 LYS QG 2.700 . 4.700 2.135 2.135 2.135 . 0 0 "[ ]" 1
12 1 15 ARG HA 1 15 ARG QG 2.700 . 3.700 3.329 3.329 3.329 . 0 0 "[ ]" 1
13 1 15 ARG QB 1 15 ARG QD 3.300 . 5.300 1.909 1.909 1.909 . 0 0 "[ ]" 1
14 1 17 PRO HA 1 17 PRO QD 3.300 . 4.300 3.513 3.513 3.513 . 0 0 "[ ]" 1
15 1 17 PRO HA 1 17 PRO QG 2.700 . 3.700 3.512 3.512 3.512 . 0 0 "[ ]" 1
16 1 17 PRO QB 1 17 PRO QD 3.300 . 5.300 2.985 2.985 2.985 . 0 0 "[ ]" 1
17 1 18 GLU HA 1 18 GLU QG 2.700 . 3.700 2.110 2.110 2.110 . 0 0 "[ ]" 1
18 1 21 VAL HA 1 21 VAL MG2 2.700 . 4.200 2.434 2.434 2.434 . 0 0 "[ ]" 1
19 1 21 VAL HA 1 21 VAL MG1 2.700 . 4.200 2.341 2.341 2.341 . 0 0 "[ ]" 1
20 1 22 VAL HA 1 22 VAL HB 2.700 . 2.700 2.655 2.655 2.655 . 0 0 "[ ]" 1
21 1 22 VAL HA 1 22 VAL MG2 2.700 . 4.200 3.156 3.156 3.156 . 0 0 "[ ]" 1
22 1 22 VAL HA 1 22 VAL MG1 2.700 . 4.200 2.025 2.025 2.025 . 0 0 "[ ]" 1
23 1 26 LEU QB 1 26 LEU MD2 2.700 . 5.200 2.266 2.266 2.266 . 0 0 "[ ]" 1
24 1 26 LEU QB 1 26 LEU MD1 2.700 . 5.200 2.073 2.073 2.073 . 0 0 "[ ]" 1
25 1 29 ARG HA 1 29 ARG QG 3.300 . 4.300 2.474 2.474 2.474 . 0 0 "[ ]" 1
26 1 31 THR HA 1 31 THR MG 2.700 . 4.200 2.323 2.323 2.323 . 0 0 "[ ]" 1
27 1 33 LEU QB 1 33 LEU QD 2.700 . 6.200 1.741 1.741 1.741 0.059 1 0 "[ ]" 1
28 1 34 LYS QE 1 34 LYS QG 2.700 . 4.700 2.139 2.139 2.139 . 0 0 "[ ]" 1
29 1 37 VAL HA 1 37 VAL MG1 2.700 . 4.200 2.189 2.189 2.189 . 0 0 "[ ]" 1
30 1 37 VAL HA 1 37 VAL MG2 2.700 . 4.200 2.461 2.461 2.461 . 0 0 "[ ]" 1
31 1 37 VAL MG1 1 37 VAL MG2 2.700 . 5.700 1.888 1.888 1.888 . 0 0 "[ ]" 1
32 1 38 ILE HA 1 38 ILE QG 2.700 . 3.700 2.241 2.241 2.241 . 0 0 "[ ]" 1
33 1 40 THR HA 1 40 THR MG 2.700 . 4.200 2.498 2.498 2.498 . 0 0 "[ ]" 1
34 1 41 THR HA 1 41 THR MG 2.700 . 4.200 1.992 1.992 1.992 . 0 0 "[ ]" 1
35 1 42 LYS HA 1 42 LYS QG 2.700 . 3.700 3.315 3.315 3.315 . 0 0 "[ ]" 1
36 1 42 LYS QB 1 42 LYS QE 2.700 . 4.700 3.307 3.307 3.307 . 0 0 "[ ]" 1
37 1 43 LYS QB 1 43 LYS QE 3.300 . 5.300 3.439 3.439 3.439 . 0 0 "[ ]" 1
38 1 46 GLN HA 1 46 GLN QG 2.700 . 3.700 2.145 2.145 2.145 . 0 0 "[ ]" 1
39 1 53 GLN HA 1 53 GLN QG 2.700 . 3.700 2.643 2.643 2.643 . 0 0 "[ ]" 1
40 1 54 GLU HA 1 54 GLU QG 2.700 . 3.700 2.172 2.172 2.172 . 0 0 "[ ]" 1
41 1 56 VAL HA 1 56 VAL MG2 2.700 . 4.200 2.193 2.193 2.193 . 0 0 "[ ]" 1
42 1 56 VAL HA 1 56 VAL MG1 2.700 . 4.200 2.385 2.385 2.385 . 0 0 "[ ]" 1
43 1 56 VAL MG1 1 56 VAL MG2 2.700 . 5.700 1.860 1.860 1.860 . 0 0 "[ ]" 1
44 1 57 GLN HA 1 57 GLN QG 2.700 . 3.700 2.078 2.078 2.078 . 0 0 "[ ]" 1
45 1 58 ARG HA 1 58 ARG QG 2.700 . 3.700 2.486 2.486 2.486 . 0 0 "[ ]" 1
46 1 60 MET HA 1 60 MET QG 2.700 . 3.700 2.177 2.177 2.177 . 0 0 "[ ]" 1
47 1 61 LYS QB 1 61 LYS QD 2.700 . 4.700 2.018 2.018 2.018 . 0 0 "[ ]" 1
48 1 63 LEU HA 1 63 LEU MD2 2.700 . 4.200 2.556 2.556 2.556 . 0 0 "[ ]" 1
49 1 63 LEU HA 1 63 LEU MD1 3.300 . 4.800 3.665 3.665 3.665 . 0 0 "[ ]" 1
50 1 63 LEU MD1 1 63 LEU MD2 2.700 . 5.700 1.942 1.942 1.942 . 0 0 "[ ]" 1
51 1 63 LEU HA 1 63 LEU HG 2.700 . 2.700 2.220 2.220 2.220 . 0 0 "[ ]" 1
52 1 67 GLN HA 1 67 GLN QG 2.700 . 3.700 2.741 2.741 2.741 . 0 0 "[ ]" 1
53 1 68 LYS HA 1 68 LYS QG 3.300 . 4.300 2.377 2.377 2.377 . 0 0 "[ ]" 1
54 1 69 LYS HA 1 69 LYS QG 3.300 . 4.300 2.623 2.623 2.623 . 0 0 "[ ]" 1
55 1 60 MET HA 1 60 MET ME 2.700 . 4.200 3.254 3.254 3.254 . 0 0 "[ ]" 1
56 1 33 LEU HA 1 33 LEU QD 2.700 . 5.200 2.807 2.807 2.807 . 0 0 "[ ]" 1
57 1 3 ILE MD 1 3 ILE MG 2.700 . 5.700 2.997 2.997 2.997 . 0 0 "[ ]" 1
58 1 15 ARG HA 1 15 ARG QD 3.300 . 4.300 3.874 3.874 3.874 . 0 0 "[ ]" 1
59 1 16 ILE HB 1 16 ILE MD 2.700 . 4.200 2.495 2.495 2.495 . 0 0 "[ ]" 1
60 1 16 ILE HA 1 16 ILE QG 2.700 . 3.700 2.759 2.759 2.759 . 0 0 "[ ]" 1
61 1 26 LEU HA 1 26 LEU MD2 2.700 . 4.200 1.812 1.812 1.812 . 0 0 "[ ]" 1
62 1 38 ILE HB 1 38 ILE MD 2.700 . 4.200 2.122 2.122 2.122 . 0 0 "[ ]" 1
63 1 38 ILE HA 1 38 ILE MD 3.300 . 4.800 2.927 2.927 2.927 . 0 0 "[ ]" 1
64 1 38 ILE QG 1 38 ILE MG 2.700 . 5.200 2.045 2.045 2.045 . 0 0 "[ ]" 1
65 1 38 ILE HA 1 38 ILE MG 3.300 . 4.800 2.438 2.438 2.438 . 0 0 "[ ]" 1
66 1 3 ILE HA 1 4 PRO QD 2.700 . 3.700 1.995 1.995 1.995 . 0 0 "[ ]" 1
67 1 3 ILE MG 1 4 PRO QD 2.700 . 5.200 3.860 3.860 3.860 . 0 0 "[ ]" 1
68 1 5 SER HA 1 6 PRO QD 2.700 . 3.700 2.402 2.402 2.402 . 0 0 "[ ]" 1
69 1 16 ILE HA 1 17 PRO QD 2.700 . 3.700 1.996 1.996 1.996 . 0 0 "[ ]" 1
70 1 16 ILE MG 1 17 PRO QD 2.700 . 5.200 1.655 1.655 1.655 0.145 1 0 "[ ]" 1
71 1 22 VAL HB 1 23 SER QB 3.300 . 4.300 3.223 3.223 3.223 . 0 0 "[ ]" 1
72 1 22 VAL MG2 1 23 SER QB 3.300 . 5.800 3.219 3.219 3.219 . 0 0 "[ ]" 1
73 1 22 VAL MG1 1 23 SER QB 3.300 . 5.800 4.465 4.465 4.465 . 0 0 "[ ]" 1
74 1 30 SER QB 1 31 THR MG 3.300 . 5.800 3.281 3.281 3.281 . 0 0 "[ ]" 1
75 1 37 VAL MG1 1 38 ILE HA 5.000 . 6.500 4.203 4.203 4.203 . 0 0 "[ ]" 1
76 1 40 THR MG 1 41 THR HA 3.300 . 4.800 3.830 3.830 3.830 . 0 0 "[ ]" 1
77 1 15 ARG HA 1 16 ILE MD 5.000 . 6.500 4.232 4.232 4.232 . 0 0 "[ ]" 1
78 1 17 PRO HA 1 18 GLU HA 5.000 . 5.000 4.550 4.550 4.550 . 0 0 "[ ]" 1
79 1 56 VAL MG1 1 57 GLN HA 3.300 . 4.800 3.565 3.565 3.565 . 0 0 "[ ]" 1
80 1 2 VAL HA 1 3 ILE MG 2.700 . 4.200 3.433 3.433 3.433 . 0 0 "[ ]" 1
81 1 37 VAL MG2 1 38 ILE MD 3.300 . 6.300 4.252 4.252 4.252 . 0 0 "[ ]" 1
82 1 18 GLU HA 1 21 VAL HB 2.700 . 2.700 2.704 2.704 2.704 0.004 1 0 "[ ]" 1
83 1 37 VAL MG1 1 39 PHE HA 5.000 . 6.500 4.462 4.462 4.462 . 0 0 "[ ]" 1
84 1 40 THR MG 1 44 GLY QA 2.700 . 5.200 3.361 3.361 3.361 . 0 0 "[ ]" 1
85 1 53 GLN QB 1 56 VAL MG2 2.700 . 5.200 2.357 2.357 2.357 . 0 0 "[ ]" 1
86 1 54 GLU HA 1 57 GLN QB 2.700 . 2.700 2.578 2.578 2.578 . 0 0 "[ ]" 1
87 1 55 TRP HA 1 58 ARG QB 2.700 . 3.700 1.967 1.967 1.967 . 0 0 "[ ]" 1
88 1 56 VAL HA 1 59 TYR QB 2.700 . 3.700 2.806 2.806 2.806 . 0 0 "[ ]" 1
89 1 59 TYR HA 1 62 ASN QB 2.700 . 3.700 3.244 3.244 3.244 . 0 0 "[ ]" 1
90 1 62 ASN HA 1 65 ALA MB 2.700 . 4.200 3.073 3.073 3.073 . 0 0 "[ ]" 1
91 1 56 VAL MG2 1 60 MET ME 5.000 . 8.000 5.602 5.602 5.602 . 0 0 "[ ]" 1
92 1 56 VAL MG1 1 60 MET ME 2.700 . 5.700 3.563 3.563 3.563 . 0 0 "[ ]" 1
93 1 18 GLU HA 1 21 VAL MG2 2.700 . 4.200 2.799 2.799 2.799 . 0 0 "[ ]" 1
94 1 53 GLN HA 1 56 VAL MG2 5.000 . 6.500 5.087 5.087 5.087 . 0 0 "[ ]" 1
95 1 4 PRO QD 1 6 PRO QD 2.700 . 4.700 2.508 2.508 2.508 . 0 0 "[ ]" 1
96 1 12 VAL QG 1 16 ILE MD 2.700 . 6.700 2.995 2.995 2.995 . 0 0 "[ ]" 1
97 1 55 TRP HA 1 58 ARG QG 3.300 . 4.300 3.847 3.847 3.847 . 0 0 "[ ]" 1
98 1 55 TRP HA 1 58 ARG QD 2.700 . 3.700 2.573 2.573 2.573 . 0 0 "[ ]" 1
99 1 61 LYS HA 1 64 ASP QB 2.700 . 3.700 2.964 2.964 2.964 . 0 0 "[ ]" 1
100 1 65 ALA HA 1 68 LYS QB 5.000 . 6.000 4.265 4.265 4.265 . 0 0 "[ ]" 1
101 1 21 VAL HA 1 41 THR HA 2.700 . 2.700 2.087 2.087 2.087 . 0 0 "[ ]" 1
102 1 24 TYR HA 1 37 VAL MG1 3.300 . 4.800 3.881 3.881 3.881 . 0 0 "[ ]" 1
103 1 24 TYR HA 1 39 PHE HA 2.700 . 2.700 1.789 1.789 1.789 0.011 1 0 "[ ]" 1
104 1 26 LEU HA 1 37 VAL HA 2.700 . 2.700 2.319 2.319 2.319 . 0 0 "[ ]" 1
105 1 26 LEU MD2 1 37 VAL MG1 3.300 . 6.300 1.851 1.851 1.851 . 0 0 "[ ]" 1
106 1 26 LEU MD2 1 37 VAL MG2 2.700 . 5.700 1.716 1.716 1.716 0.084 1 0 "[ ]" 1
107 1 37 VAL HB 1 56 VAL MG2 3.300 . 4.800 2.941 2.941 2.941 . 0 0 "[ ]" 1
108 1 37 VAL HB 1 56 VAL MG1 2.700 . 4.200 2.144 2.144 2.144 . 0 0 "[ ]" 1
109 1 21 VAL MG1 1 39 PHE HA 3.300 . 4.800 3.831 3.831 3.831 . 0 0 "[ ]" 1
110 1 22 VAL MG2 1 40 THR HB 2.700 . 4.200 2.585 2.585 2.585 . 0 0 "[ ]" 1
111 1 22 VAL MG1 1 40 THR HB 5.000 . 6.500 5.186 5.186 5.186 . 0 0 "[ ]" 1
112 1 22 VAL MG2 1 40 THR MG 2.700 . 5.700 2.087 2.087 2.087 . 0 0 "[ ]" 1
113 1 40 THR MG 1 46 GLN HA 3.300 . 4.800 3.312 3.312 3.312 . 0 0 "[ ]" 1
114 1 41 THR MG 1 45 GLN QB 2.700 . 5.200 3.280 3.280 3.280 . 0 0 "[ ]" 1
115 1 22 VAL MG2 1 42 LYS HA 2.700 . 4.200 2.838 2.838 2.838 . 0 0 "[ ]" 1
116 1 22 VAL MG1 1 42 LYS HA 2.700 . 4.200 1.991 1.991 1.991 . 0 0 "[ ]" 1
117 1 40 THR HA 1 46 GLN HA 2.700 . 2.700 1.944 1.944 1.944 . 0 0 "[ ]" 1
118 1 38 ILE HA 1 48 CYS HA 2.700 . 2.700 1.851 1.851 1.851 . 0 0 "[ ]" 1
119 1 49 GLY QA 1 56 VAL MG2 2.700 . 5.200 2.269 2.269 2.269 . 0 0 "[ ]" 1
120 1 49 GLY QA 1 56 VAL MG1 5.000 . 7.500 3.639 3.639 3.639 . 0 0 "[ ]" 1
121 1 12 VAL MG1 1 47 SER QB 2.700 . 5.200 1.843 1.843 1.843 . 0 0 "[ ]" 1
122 1 16 ILE MD 1 47 SER QB 2.700 . 5.200 2.857 2.857 2.857 . 0 0 "[ ]" 1
123 1 22 VAL MG2 1 41 THR HA 3.300 . 4.800 2.775 2.775 2.775 . 0 0 "[ ]" 1
124 1 22 VAL MG1 1 41 THR HA 3.300 . 4.800 3.698 3.698 3.698 . 0 0 "[ ]" 1
125 1 37 VAL MG2 1 51 PRO HA 2.700 . 4.200 2.931 2.931 2.931 . 0 0 "[ ]" 1
126 1 51 PRO HA 1 56 VAL MG2 3.300 . 4.800 3.417 3.417 3.417 . 0 0 "[ ]" 1
127 1 51 PRO HA 1 56 VAL MG1 2.700 . 4.200 2.320 2.320 2.320 . 0 0 "[ ]" 1
128 1 37 VAL MG1 1 60 MET ME 3.300 . 6.300 2.613 2.613 2.613 . 0 0 "[ ]" 1
129 1 37 VAL MG2 1 60 MET ME 2.700 . 5.700 3.087 3.087 3.087 . 0 0 "[ ]" 1
130 1 37 VAL MG1 1 56 VAL MG1 2.700 . 5.700 2.680 2.680 2.680 . 0 0 "[ ]" 1
131 1 26 LEU HG 1 37 VAL MG2 2.700 . 4.200 3.267 3.267 3.267 . 0 0 "[ ]" 1
132 1 37 VAL MG2 1 56 VAL MG1 2.700 . 5.700 1.947 1.947 1.947 . 0 0 "[ ]" 1
133 1 21 VAL MG1 1 41 THR HA 3.300 . 4.800 3.836 3.836 3.836 . 0 0 "[ ]" 1
134 1 12 VAL QG 1 49 GLY QA 2.700 . 6.200 1.917 1.917 1.917 . 0 0 "[ ]" 1
135 1 37 VAL MG2 1 51 PRO QB 2.700 . 5.200 2.602 2.602 2.602 . 0 0 "[ ]" 1
136 1 21 VAL HA 1 41 THR MG 2.700 . 4.200 3.024 3.024 3.024 . 0 0 "[ ]" 1
137 1 38 ILE MG 1 46 GLN QB 2.700 . 5.200 3.690 3.690 3.690 . 0 0 "[ ]" 1
138 1 38 ILE MG 1 48 CYS HA 2.700 . 4.200 3.251 3.251 3.251 . 0 0 "[ ]" 1
139 1 27 SER QB 1 38 ILE MD 2.700 . 5.200 1.782 1.782 1.782 0.018 1 0 "[ ]" 1
140 1 28 SER HA 1 35 ALA MB 3.300 . 4.800 2.924 2.924 2.924 . 0 0 "[ ]" 1
141 1 51 PRO HA 1 56 VAL HB 2.700 . 2.700 2.736 2.736 2.736 0.036 1 0 "[ ]" 1
142 1 26 LEU HA 1 37 VAL MG1 5.000 . 6.500 2.417 2.417 2.417 . 0 0 "[ ]" 1
143 1 26 LEU HA 1 37 VAL MG2 2.700 . 4.200 3.298 3.298 3.298 . 0 0 "[ ]" 1
144 1 38 ILE MD 1 48 CYS HA 5.000 . 6.500 3.669 3.669 3.669 . 0 0 "[ ]" 1
145 1 11 PHE HA 1 48 CYS QB 3.300 . 4.300 2.976 2.976 2.976 . 0 0 "[ ]" 1
146 1 23 SER HA 1 63 LEU MD2 2.700 . 4.200 1.835 1.835 1.835 . 0 0 "[ ]" 1
147 1 12 VAL MG1 1 47 SER HA 3.300 . 4.800 3.535 3.535 3.535 . 0 0 "[ ]" 1
148 1 58 ARG QB 1 58 ARG QD 2.700 . 4.700 2.130 2.130 2.130 . 0 0 "[ ]" 1
149 1 72 PRO HA 1 72 PRO QG 2.700 . 3.700 3.498 3.498 3.498 . 0 0 "[ ]" 1
150 1 2 VAL HA 1 2 VAL QG 2.700 . 5.200 2.264 2.264 2.264 . 0 0 "[ ]" 1
151 1 3 ILE QG 1 3 ILE MG 2.700 . 5.200 1.924 1.924 1.924 . 0 0 "[ ]" 1
152 1 9 MET QG 1 10 PHE QD 3.300 . 5.300 3.039 3.039 3.039 . 0 0 "[ ]" 1
153 1 12 VAL QG 1 13 SER HA 5.000 . 7.500 4.469 4.469 4.469 . 0 0 "[ ]" 1
154 1 12 VAL QG 1 13 SER QB 5.000 . 8.500 4.593 4.593 4.593 . 0 0 "[ ]" 1
155 1 12 VAL QG 1 14 LYS HA 3.300 . 5.800 3.843 3.843 3.843 . 0 0 "[ ]" 1
156 1 12 VAL QG 1 15 ARG HA 5.000 . 7.500 3.291 3.291 3.291 . 0 0 "[ ]" 1
157 1 16 ILE HB 1 17 PRO QD 2.700 . 3.700 3.044 3.044 3.044 . 0 0 "[ ]" 1
158 1 16 ILE QG 1 59 TYR QE 3.300 . 5.300 2.831 2.831 2.831 . 0 0 "[ ]" 1
159 1 18 GLU QB 1 59 TYR QE 3.300 . 5.300 2.675 2.675 2.675 . 0 0 "[ ]" 1
160 1 18 GLU QG 1 59 TYR QE 3.300 . 5.300 2.538 2.538 2.538 . 0 0 "[ ]" 1
161 1 21 VAL MG1 1 22 VAL HA 3.300 . 4.800 3.743 3.743 3.743 . 0 0 "[ ]" 1
162 1 23 SER HA 1 63 LEU MD1 2.700 . 4.200 2.311 2.311 2.311 . 0 0 "[ ]" 1
163 1 24 TYR HA 1 63 LEU MD1 5.000 . 6.500 4.623 4.623 4.623 . 0 0 "[ ]" 1
164 1 36 GLY QA 1 51 PRO QD 2.700 . 4.700 1.806 1.806 1.806 . 0 0 "[ ]" 1
165 1 36 GLY QA 1 51 PRO QG 3.300 . 5.300 2.781 2.781 2.781 . 0 0 "[ ]" 1
166 1 36 GLY QA 1 37 VAL MG2 3.300 . 5.800 3.068 3.068 3.068 . 0 0 "[ ]" 1
167 1 37 VAL MG1 1 60 MET QG 3.300 . 5.800 3.102 3.102 3.102 . 0 0 "[ ]" 1
168 1 38 ILE MG 1 39 PHE HA 3.300 . 4.800 3.847 3.847 3.847 . 0 0 "[ ]" 1
169 1 7 CYS HA 1 38 ILE MD 3.300 . 4.800 3.709 3.709 3.709 . 0 0 "[ ]" 1
170 1 8 CYS QB 1 38 ILE MD 5.000 . 7.500 4.066 4.066 4.066 . 0 0 "[ ]" 1
171 1 39 PHE QE 1 49 GLY QA 3.300 . 5.300 3.094 3.094 3.094 . 0 0 "[ ]" 1
172 1 37 VAL MG2 1 51 PRO QG 2.700 . 5.200 3.432 3.432 3.432 . 0 0 "[ ]" 1
173 1 35 ALA MB 1 51 PRO QG 3.300 . 5.800 3.994 3.994 3.994 . 0 0 "[ ]" 1
174 1 52 LYS HA 1 52 LYS QG 2.700 . 3.700 2.212 2.212 2.212 . 0 0 "[ ]" 1
175 1 66 LYS HA 1 66 LYS QG 3.300 . 4.300 2.347 2.347 2.347 . 0 0 "[ ]" 1
176 1 66 LYS HA 1 66 LYS QD 3.300 . 4.300 3.510 3.510 3.510 . 0 0 "[ ]" 1
177 1 59 TYR HA 1 63 LEU MD1 5.000 . 6.500 2.857 2.857 2.857 . 0 0 "[ ]" 1
178 1 59 TYR QB 1 63 LEU MD1 5.000 . 7.500 1.848 1.848 1.848 . 0 0 "[ ]" 1
179 1 60 MET HA 1 63 LEU MD1 3.300 . 4.800 2.305 2.305 2.305 . 0 0 "[ ]" 1
180 1 7 CYS HA 1 27 SER QB 3.300 . 4.300 3.054 3.054 3.054 . 0 0 "[ ]" 1
181 1 14 LYS QB 1 15 ARG HA 5.000 . 6.000 4.543 4.543 4.543 . 0 0 "[ ]" 1
182 1 26 LEU MD2 1 37 VAL HA 2.700 . 3.200 2.315 2.315 2.315 . 0 0 "[ ]" 1
183 1 27 SER HA 1 38 ILE MD 5.000 . 5.500 4.100 4.100 4.100 . 0 0 "[ ]" 1
184 1 28 SER QB 1 35 ALA MB 3.300 . 5.800 3.908 3.908 3.908 . 0 0 "[ ]" 1
185 1 28 SER HA 1 35 ALA HA 5.000 . 5.000 3.886 3.886 3.886 . 0 0 "[ ]" 1
186 1 11 PHE QD 1 50 ASP HA 3.300 . 5.300 4.036 4.036 4.036 . 0 0 "[ ]" 1
187 1 11 PHE QE 1 50 ASP HA 3.300 . 5.300 1.948 1.948 1.948 . 0 0 "[ ]" 1
188 1 12 VAL HB 1 55 TRP HZ2 5.000 . 6.000 4.107 4.107 4.107 . 0 0 "[ ]" 1
189 1 11 PHE QE 1 36 GLY QA 2.700 . 5.700 2.852 2.852 2.852 . 0 0 "[ ]" 1
190 1 11 PHE QE 1 35 ALA MB 5.000 . 8.000 5.627 5.627 5.627 . 0 0 "[ ]" 1
191 1 22 VAL MG1 1 41 THR HB 5.000 . 6.500 5.191 5.191 5.191 . 0 0 "[ ]" 1
192 1 64 ASP HA 1 67 GLN QB 5.000 . 6.000 3.287 3.287 3.287 . 0 0 "[ ]" 1
193 1 63 LEU HA 1 66 LYS QB 3.300 . 4.300 2.668 2.668 2.668 . 0 0 "[ ]" 1
194 1 71 SER HA 1 72 PRO QD 2.700 . 3.700 2.124 2.124 2.124 . 0 0 "[ ]" 1
195 1 29 ARG HA 1 29 ARG QD 3.300 . 4.300 3.385 3.385 3.385 . 0 0 "[ ]" 1
196 1 6 PRO QB 1 38 ILE MD 5.000 . 7.500 4.411 4.411 4.411 . 0 0 "[ ]" 1
197 1 6 PRO QG 1 38 ILE MD 3.300 . 5.800 3.356 3.356 3.356 . 0 0 "[ ]" 1
198 1 11 PHE QB 1 50 ASP QB 3.300 . 5.300 3.847 3.847 3.847 . 0 0 "[ ]" 1
199 1 17 PRO QD 1 20 ARG QD 3.300 . 5.300 3.427 3.427 3.427 . 0 0 "[ ]" 1
200 1 17 PRO QD 1 20 ARG QG 3.300 . 5.300 3.709 3.709 3.709 . 0 0 "[ ]" 1
201 1 29 ARG HA 1 30 SER HA 5.000 . 5.000 4.441 4.441 4.441 . 0 0 "[ ]" 1
202 1 32 CYS HA 1 33 LEU QB 5.000 . 6.000 4.059 4.059 4.059 . 0 0 "[ ]" 1
203 1 27 SER QB 1 38 ILE QG 5.000 . 7.000 3.484 3.484 3.484 . 0 0 "[ ]" 1
204 1 55 TRP HA 1 59 TYR QD 3.300 . 4.300 4.050 4.050 4.050 . 0 0 "[ ]" 1
205 1 58 ARG QB 1 59 TYR QD 3.300 . 5.300 3.071 3.071 3.071 . 0 0 "[ ]" 1
206 1 58 ARG QD 1 59 TYR QD 3.300 . 5.300 3.105 3.105 3.105 . 0 0 "[ ]" 1
207 1 39 PHE QE 1 60 MET QG 3.300 . 5.300 3.176 3.176 3.176 . 0 0 "[ ]" 1
208 1 39 PHE HZ 1 60 MET QG 3.300 . 4.300 1.945 1.945 1.945 . 0 0 "[ ]" 1
209 1 3 ILE MG 1 24 TYR QD 3.300 . 6.800 4.246 4.246 4.246 . 0 0 "[ ]" 1
210 1 11 PHE QE 1 51 PRO QD 2.700 . 5.700 3.264 3.264 3.264 . 0 0 "[ ]" 1
211 1 3 ILE MD 1 38 ILE MD 2.700 . 5.700 3.626 3.626 3.626 . 0 0 "[ ]" 1
212 1 3 ILE MG 1 4 PRO HA 5.000 . 6.500 4.519 4.519 4.519 . 0 0 "[ ]" 1
213 1 50 ASP QB 1 53 GLN QB 3.300 . 5.300 3.370 3.370 3.370 . 0 0 "[ ]" 1
214 1 21 VAL HA 1 22 VAL HA 5.000 . 5.000 4.503 4.503 4.503 . 0 0 "[ ]" 1
215 1 37 VAL MG2 1 60 MET QG 3.300 . 5.800 3.850 3.850 3.850 . 0 0 "[ ]" 1
216 1 41 THR HB 1 45 GLN QB 2.700 . 3.700 2.216 2.216 2.216 . 0 0 "[ ]" 1
217 1 20 ARG QB 1 41 THR HA 3.300 . 4.300 3.765 3.765 3.765 . 0 0 "[ ]" 1
218 1 41 THR HA 1 42 LYS QB 5.000 . 6.000 4.413 4.413 4.413 . 0 0 "[ ]" 1
219 1 16 ILE MG 1 41 THR MG 2.700 . 5.700 3.421 3.421 3.421 . 0 0 "[ ]" 1
220 1 50 ASP HA 1 51 PRO QG 3.300 . 4.300 3.903 3.903 3.903 . 0 0 "[ ]" 1
221 1 52 LYS HA 1 53 GLN HA 5.000 . 5.000 4.758 4.758 4.758 . 0 0 "[ ]" 1
222 1 53 GLN HA 1 54 GLU HA 5.000 . 5.000 4.430 4.430 4.430 . 0 0 "[ ]" 1
223 1 10 PHE HA 1 10 PHE HB2 2.700 . 2.700 2.437 2.437 2.437 . 0 0 "[ ]" 1
224 1 10 PHE HB3 1 10 PHE QD 2.700 . 4.700 2.500 2.500 2.500 . 0 0 "[ ]" 1
225 1 10 PHE HB2 1 10 PHE QD 2.700 . 4.700 2.347 2.347 2.347 . 0 0 "[ ]" 1
226 1 20 ARG HA 1 20 ARG HB3 2.700 . 2.700 2.547 2.547 2.547 . 0 0 "[ ]" 1
227 1 20 ARG HB3 1 20 ARG QD 2.700 . 3.700 2.214 2.214 2.214 . 0 0 "[ ]" 1
228 1 20 ARG HB2 1 20 ARG QD 2.700 . 3.700 2.768 2.768 2.768 . 0 0 "[ ]" 1
229 1 20 ARG HB3 1 41 THR MG 3.300 . 4.800 1.837 1.837 1.837 . 0 0 "[ ]" 1
230 1 20 ARG HB2 1 41 THR MG 3.300 . 4.800 2.974 2.974 2.974 . 0 0 "[ ]" 1
231 1 16 ILE MG 1 20 ARG HB3 3.300 . 4.800 3.885 3.885 3.885 . 0 0 "[ ]" 1
232 1 16 ILE MG 1 20 ARG HB2 3.300 . 4.800 3.264 3.264 3.264 . 0 0 "[ ]" 1
233 1 24 TYR HA 1 24 TYR HB3 2.700 . 2.700 2.527 2.527 2.527 . 0 0 "[ ]" 1
234 1 24 TYR HA 1 24 TYR HB2 2.700 . 2.700 2.404 2.404 2.404 . 0 0 "[ ]" 1
235 1 24 TYR HB3 1 37 VAL MG1 2.700 . 4.200 3.104 3.104 3.104 . 0 0 "[ ]" 1
236 1 24 TYR HB2 1 37 VAL MG1 3.300 . 4.800 1.895 1.895 1.895 . 0 0 "[ ]" 1
237 1 24 TYR HB3 1 39 PHE HA 3.300 . 3.300 3.330 3.330 3.330 0.030 1 0 "[ ]" 1
238 1 24 TYR HB2 1 39 PHE HA 3.300 . 3.300 3.302 3.302 3.302 0.002 1 0 "[ ]" 1
239 1 55 TRP HA 1 55 TRP HB3 2.700 . 2.700 2.496 2.496 2.496 . 0 0 "[ ]" 1
240 1 55 TRP HA 1 55 TRP HB2 2.700 . 2.700 2.420 2.420 2.420 . 0 0 "[ ]" 1
241 1 55 TRP HB3 1 59 TYR QD 5.000 . 6.000 5.493 5.493 5.493 . 0 0 "[ ]" 1
242 1 55 TRP HB2 1 59 TYR QD 5.000 . 6.000 4.193 4.193 4.193 . 0 0 "[ ]" 1
243 1 39 PHE HA 1 39 PHE HB3 2.700 . 2.700 2.608 2.608 2.608 . 0 0 "[ ]" 1
244 1 16 ILE MD 1 39 PHE HB3 3.300 . 4.800 2.444 2.444 2.444 . 0 0 "[ ]" 1
245 1 21 VAL MG1 1 39 PHE HB3 3.300 . 4.800 2.405 2.405 2.405 . 0 0 "[ ]" 1
246 1 39 PHE HB2 1 39 PHE QD 2.700 . 4.700 2.507 2.507 2.507 . 0 0 "[ ]" 1
247 1 16 ILE MD 1 39 PHE HB2 2.700 . 4.200 2.420 2.420 2.420 . 0 0 "[ ]" 1
248 1 21 VAL MG1 1 39 PHE HB2 3.300 . 4.800 3.899 3.899 3.899 . 0 0 "[ ]" 1
249 1 63 LEU HB2 1 63 LEU MD2 2.700 . 4.200 3.104 3.104 3.104 . 0 0 "[ ]" 1
250 1 63 LEU HB2 1 63 LEU MD1 2.700 . 4.200 1.959 1.959 1.959 . 0 0 "[ ]" 1
251 1 63 LEU HB2 1 63 LEU HG 2.700 . 2.700 2.711 2.711 2.711 0.011 1 0 "[ ]" 1
252 1 63 LEU HB3 1 63 LEU MD2 2.700 . 4.200 2.131 2.131 2.131 . 0 0 "[ ]" 1
253 1 63 LEU HB3 1 63 LEU MD1 2.700 . 4.200 2.725 2.725 2.725 . 0 0 "[ ]" 1
254 1 60 MET HA 1 63 LEU HB2 3.300 . 3.300 2.191 2.191 2.191 . 0 0 "[ ]" 1
255 1 60 MET HA 1 63 LEU HB3 3.300 . 3.300 3.338 3.338 3.338 0.038 1 0 "[ ]" 1
256 1 60 MET HA 1 60 MET HB3 2.700 . 2.700 2.592 2.592 2.592 . 0 0 "[ ]" 1
257 1 60 MET HB3 1 60 MET ME 2.700 . 4.200 2.058 2.058 2.058 . 0 0 "[ ]" 1
258 1 60 MET HB2 1 60 MET ME 2.700 . 4.200 3.354 3.354 3.354 . 0 0 "[ ]" 1
259 1 57 GLN HA 1 60 MET HB3 3.300 . 3.300 3.374 3.374 3.374 0.074 1 0 "[ ]" 1
260 1 57 GLN HA 1 60 MET HB2 5.000 . 5.000 2.117 2.117 2.117 . 0 0 "[ ]" 1
261 1 15 ARG HA 1 55 TRP HZ2 3.300 . 3.300 3.362 3.362 3.362 0.062 1 0 "[ ]" 1
262 1 16 ILE HB 1 59 TYR QE 2.700 . 4.700 2.137 2.137 2.137 . 0 0 "[ ]" 1
263 1 18 GLU HA 1 59 TYR QE 2.700 . 4.700 3.493 3.493 3.493 . 0 0 "[ ]" 1
264 1 16 ILE MD 1 55 TRP HZ3 3.300 . 4.800 1.947 1.947 1.947 . 0 0 "[ ]" 1
265 1 24 TYR QD 1 63 LEU QB 2.700 . 5.700 3.040 3.040 3.040 . 0 0 "[ ]" 1
266 1 24 TYR QD 1 63 LEU HG 5.000 . 7.000 4.303 4.303 4.303 . 0 0 "[ ]" 1
267 1 24 TYR QB 1 24 TYR QD 2.700 . 5.700 2.151 2.151 2.151 . 0 0 "[ ]" 1
268 1 24 TYR QB 1 39 PHE QD 3.300 . 6.300 2.852 2.852 2.852 . 0 0 "[ ]" 1
269 1 39 PHE QE 1 56 VAL HA 3.300 . 5.300 2.918 2.918 2.918 . 0 0 "[ ]" 1
270 1 39 PHE HZ 1 56 VAL HA 5.000 . 5.000 1.946 1.946 1.946 . 0 0 "[ ]" 1
271 1 9 MET QB 1 10 PHE QD 5.000 . 8.000 1.951 1.951 1.951 . 0 0 "[ ]" 1
272 1 10 PHE QD 1 12 VAL HA 3.300 . 5.300 3.773 3.773 3.773 . 0 0 "[ ]" 1
273 1 11 PHE HA 1 11 PHE QD 2.700 . 4.700 2.013 2.013 2.013 . 0 0 "[ ]" 1
274 1 11 PHE QD 1 50 ASP QB 3.300 . 6.300 2.951 2.951 2.951 . 0 0 "[ ]" 1
275 1 9 MET QB 1 10 PHE QE 5.000 . 8.000 3.503 3.503 3.503 . 0 0 "[ ]" 1
276 1 10 PHE QE 1 12 VAL HA 3.300 . 5.300 2.927 2.927 2.927 . 0 0 "[ ]" 1
277 1 11 PHE HA 1 11 PHE QE 3.300 . 5.300 4.015 4.015 4.015 . 0 0 "[ ]" 1
278 1 24 TYR QD 1 60 MET HA 5.000 . 7.000 3.016 3.016 3.016 . 0 0 "[ ]" 1
279 1 24 TYR QE 1 63 LEU HG 5.000 . 7.000 4.523 4.523 4.523 . 0 0 "[ ]" 1
280 1 39 PHE HA 1 39 PHE QD 3.300 . 5.300 3.021 3.021 3.021 . 0 0 "[ ]" 1
281 1 24 TYR HA 1 39 PHE QD 3.300 . 5.300 3.695 3.695 3.695 . 0 0 "[ ]" 1
282 1 39 PHE QD 1 49 GLY QA 5.000 . 8.000 2.532 2.532 2.532 . 0 0 "[ ]" 1
283 1 55 TRP HA 1 55 TRP HD1 5.000 . 5.000 4.461 4.461 4.461 . 0 0 "[ ]" 1
284 1 53 GLN QB 1 55 TRP HD1 3.300 . 4.300 1.927 1.927 1.927 . 0 0 "[ ]" 1
285 1 16 ILE HB 1 55 TRP HZ3 5.000 . 5.000 4.094 4.094 4.094 . 0 0 "[ ]" 1
286 1 55 TRP HZ3 1 56 VAL HA 5.000 . 5.000 3.880 3.880 3.880 . 0 0 "[ ]" 1
287 1 55 TRP HE3 1 56 VAL HA 3.300 . 3.300 3.257 3.257 3.257 . 0 0 "[ ]" 1
288 1 55 TRP HA 1 55 TRP HE3 5.000 . 5.000 4.177 4.177 4.177 . 0 0 "[ ]" 1
289 1 55 TRP HE3 1 59 TYR QE 3.300 . 5.300 2.367 2.367 2.367 . 0 0 "[ ]" 1
290 1 55 TRP HZ3 1 59 TYR QE 3.300 . 5.300 3.359 3.359 3.359 . 0 0 "[ ]" 1
291 1 24 TYR HA 1 24 TYR QD 3.300 . 5.300 3.689 3.689 3.689 . 0 0 "[ ]" 1
292 1 24 TYR QE 1 60 MET ME 2.700 . 6.200 2.233 2.233 2.233 . 0 0 "[ ]" 1
293 1 24 TYR HA 1 39 PHE QE 3.300 . 5.300 4.517 4.517 4.517 . 0 0 "[ ]" 1
294 1 37 VAL HB 1 39 PHE QE 3.300 . 5.300 1.831 1.831 1.831 . 0 0 "[ ]" 1
295 1 39 PHE QE 1 59 TYR QB 2.700 . 5.700 1.805 1.805 1.805 . 0 0 "[ ]" 1
296 1 39 PHE HZ 1 59 TYR QB 2.700 . 3.700 2.826 2.826 2.826 . 0 0 "[ ]" 1
297 1 59 TYR QB 1 59 TYR QD 2.700 . 5.700 2.349 2.349 2.349 . 0 0 "[ ]" 1
298 1 24 TYR QD 1 26 LEU MD1 2.700 . 6.200 4.157 4.157 4.157 . 0 0 "[ ]" 1
299 1 24 TYR QD 1 26 LEU MD2 2.700 . 6.200 3.553 3.553 3.553 . 0 0 "[ ]" 1
300 1 24 TYR QD 1 63 LEU MD2 2.700 . 6.200 2.768 2.768 2.768 . 0 0 "[ ]" 1
301 1 24 TYR QD 1 37 VAL MG1 2.700 . 6.200 1.991 1.991 1.991 . 0 0 "[ ]" 1
302 1 24 TYR QD 1 37 VAL MG2 2.700 . 6.200 4.083 4.083 4.083 . 0 0 "[ ]" 1
303 1 24 TYR QD 1 63 LEU MD1 2.700 . 6.200 1.779 1.779 1.779 0.021 1 0 "[ ]" 1
304 1 24 TYR QE 1 26 LEU MD1 2.700 . 6.200 2.530 2.530 2.530 . 0 0 "[ ]" 1
305 1 24 TYR QE 1 26 LEU MD2 2.700 . 6.200 3.696 3.696 3.696 . 0 0 "[ ]" 1
306 1 24 TYR QE 1 63 LEU MD2 2.700 . 6.200 3.333 3.333 3.333 . 0 0 "[ ]" 1
307 1 24 TYR QE 1 37 VAL MG1 2.700 . 6.200 3.219 3.219 3.219 . 0 0 "[ ]" 1
308 1 24 TYR QE 1 37 VAL MG2 3.300 . 6.800 4.614 4.614 4.614 . 0 0 "[ ]" 1
309 1 16 ILE MD 1 39 PHE QD 2.700 . 6.200 3.073 3.073 3.073 . 0 0 "[ ]" 1
310 1 21 VAL MG1 1 39 PHE QD 2.700 . 6.200 1.854 1.854 1.854 . 0 0 "[ ]" 1
311 1 21 VAL MG2 1 39 PHE QD 3.300 . 6.800 3.505 3.505 3.505 . 0 0 "[ ]" 1
312 1 37 VAL MG1 1 39 PHE QD 3.300 . 6.800 3.367 3.367 3.367 . 0 0 "[ ]" 1
313 1 39 PHE QD 1 56 VAL MG2 3.300 . 6.800 3.387 3.387 3.387 . 0 0 "[ ]" 1
314 1 39 PHE QD 1 63 LEU MD1 2.700 . 6.200 3.869 3.869 3.869 . 0 0 "[ ]" 1
315 1 16 ILE MD 1 39 PHE QE 2.700 . 6.200 4.345 4.345 4.345 . 0 0 "[ ]" 1
316 1 21 VAL MG1 1 39 PHE QE 2.700 . 6.200 3.234 3.234 3.234 . 0 0 "[ ]" 1
317 1 37 VAL MG1 1 39 PHE QE 2.700 . 6.200 2.294 2.294 2.294 . 0 0 "[ ]" 1
318 1 39 PHE QE 1 56 VAL MG1 2.700 . 6.200 1.859 1.859 1.859 . 0 0 "[ ]" 1
319 1 39 PHE QE 1 56 VAL MG2 2.700 . 6.200 2.284 2.284 2.284 . 0 0 "[ ]" 1
320 1 39 PHE QE 1 63 LEU MD1 2.700 . 6.200 2.855 2.855 2.855 . 0 0 "[ ]" 1
321 1 37 VAL MG1 1 39 PHE HZ 2.700 . 4.200 3.191 3.191 3.191 . 0 0 "[ ]" 1
322 1 39 PHE HZ 1 56 VAL MG1 2.700 . 4.200 1.888 1.888 1.888 . 0 0 "[ ]" 1
323 1 55 TRP HE3 1 56 VAL MG2 2.700 . 4.200 3.186 3.186 3.186 . 0 0 "[ ]" 1
324 1 12 VAL MG1 1 55 TRP HH2 2.700 . 4.200 3.000 3.000 3.000 . 0 0 "[ ]" 1
325 1 12 VAL MG2 1 55 TRP HH2 2.700 . 4.200 3.357 3.357 3.357 . 0 0 "[ ]" 1
326 1 16 ILE MD 1 55 TRP HH2 2.700 . 4.200 2.165 2.165 2.165 . 0 0 "[ ]" 1
327 1 55 TRP HH2 1 56 VAL MG2 2.700 . 4.200 3.066 3.066 3.066 . 0 0 "[ ]" 1
328 1 12 VAL MG1 1 55 TRP HZ2 2.700 . 4.200 3.202 3.202 3.202 . 0 0 "[ ]" 1
329 1 12 VAL MG2 1 55 TRP HZ2 2.700 . 4.200 1.887 1.887 1.887 . 0 0 "[ ]" 1
330 1 16 ILE MD 1 55 TRP HZ2 3.300 . 4.800 3.761 3.761 3.761 . 0 0 "[ ]" 1
331 1 55 TRP HZ2 1 56 VAL MG2 2.700 . 4.200 2.925 2.925 2.925 . 0 0 "[ ]" 1
332 1 21 VAL MG1 1 59 TYR QD 2.700 . 6.200 2.345 2.345 2.345 . 0 0 "[ ]" 1
333 1 21 VAL MG2 1 59 TYR QD 2.700 . 6.200 3.406 3.406 3.406 . 0 0 "[ ]" 1
334 1 16 ILE MG 1 59 TYR QE 2.700 . 6.200 3.743 3.743 3.743 . 0 0 "[ ]" 1
335 1 16 ILE MD 1 59 TYR QE 2.700 . 6.200 2.907 2.907 2.907 . 0 0 "[ ]" 1
336 1 21 VAL MG1 1 59 TYR QE 2.700 . 6.200 3.036 3.036 3.036 . 0 0 "[ ]" 1
337 1 21 VAL MG2 1 59 TYR QE 2.700 . 6.200 2.162 2.162 2.162 . 0 0 "[ ]" 1
338 1 11 PHE QE 1 12 VAL MG2 2.700 . 6.200 3.900 3.900 3.900 . 0 0 "[ ]" 1
339 1 10 PHE QE 1 12 VAL MG1 2.700 . 6.200 3.800 3.800 3.800 . 0 0 "[ ]" 1
340 1 2 VAL H 1 2 VAL HB 3.300 . 3.500 3.311 3.311 3.311 . 0 0 "[ ]" 1
341 1 3 ILE H 1 3 ILE HB 2.700 . 2.900 2.572 2.572 2.572 . 0 0 "[ ]" 1
342 1 3 ILE H 1 3 ILE MD 3.300 . 5.000 4.141 4.141 4.141 . 0 0 "[ ]" 1
343 1 9 MET H 1 9 MET QB 3.300 . 4.500 2.388 2.388 2.388 . 0 0 "[ ]" 1
344 1 9 MET H 1 9 MET QG 3.300 . 4.500 4.014 4.014 4.014 . 0 0 "[ ]" 1
345 1 12 VAL H 1 12 VAL HB 3.300 . 3.500 3.534 3.534 3.534 0.034 1 0 "[ ]" 1
346 1 12 VAL H 1 12 VAL QG 2.700 . 5.400 1.799 1.799 1.799 0.001 1 0 "[ ]" 1
347 1 13 SER H 1 13 SER QB 3.300 . 4.500 2.348 2.348 2.348 . 0 0 "[ ]" 1
348 1 14 LYS H 1 14 LYS QB 2.700 . 3.900 3.217 3.217 3.217 . 0 0 "[ ]" 1
349 1 15 ARG H 1 15 ARG QB 2.700 . 3.900 2.531 2.531 2.531 . 0 0 "[ ]" 1
350 1 15 ARG H 1 15 ARG QG 3.300 . 4.500 2.239 2.239 2.239 . 0 0 "[ ]" 1
351 1 16 ILE H 1 16 ILE MD 5.000 . 6.700 4.001 4.001 4.001 . 0 0 "[ ]" 1
352 1 16 ILE H 1 16 ILE HG13 5.000 . 5.200 2.383 2.383 2.383 . 0 0 "[ ]" 1
353 1 16 ILE H 1 16 ILE HG12 5.000 . 5.200 3.129 3.129 3.129 . 0 0 "[ ]" 1
354 1 18 GLU H 1 18 GLU QG 3.300 . 4.500 3.717 3.717 3.717 . 0 0 "[ ]" 1
355 1 19 ASN H 1 19 ASN HA 2.700 . 2.900 2.896 2.896 2.896 . 0 0 "[ ]" 1
356 1 19 ASN H 1 19 ASN QB 2.700 . 3.900 1.961 1.961 1.961 . 0 0 "[ ]" 1
357 1 20 ARG H 1 20 ARG QG 2.700 . 3.900 2.901 2.901 2.901 . 0 0 "[ ]" 1
358 1 21 VAL H 1 21 VAL MG2 2.700 . 4.400 1.995 1.995 1.995 . 0 0 "[ ]" 1
359 1 21 VAL H 1 21 VAL MG1 3.300 . 5.000 3.711 3.711 3.711 . 0 0 "[ ]" 1
360 1 22 VAL H 1 22 VAL HB 3.300 . 3.500 3.595 3.595 3.595 0.095 1 0 "[ ]" 1
361 1 23 SER H 1 23 SER QB 2.700 . 3.900 2.824 2.824 2.824 . 0 0 "[ ]" 1
362 1 25 GLN H 1 25 GLN QB 2.700 . 3.900 2.587 2.587 2.587 . 0 0 "[ ]" 1
363 1 26 LEU H 1 26 LEU QB 2.700 . 3.900 2.091 2.091 2.091 . 0 0 "[ ]" 1
364 1 27 SER H 1 27 SER HA 2.700 . 2.900 2.985 2.985 2.985 0.085 1 0 "[ ]" 1
365 1 27 SER H 1 27 SER QB 2.700 . 3.900 2.483 2.483 2.483 . 0 0 "[ ]" 1
366 1 28 SER H 1 28 SER QB 2.700 . 3.900 2.291 2.291 2.291 . 0 0 "[ ]" 1
367 1 29 ARG H 1 29 ARG QB 3.300 . 4.500 2.474 2.474 2.474 . 0 0 "[ ]" 1
368 1 29 ARG H 1 29 ARG QG 3.300 . 4.500 4.081 4.081 4.081 . 0 0 "[ ]" 1
369 1 30 SER H 1 30 SER QB 3.300 . 4.500 2.127 2.127 2.127 . 0 0 "[ ]" 1
370 1 31 THR H 1 31 THR MG 3.300 . 5.000 1.896 1.896 1.896 . 0 0 "[ ]" 1
371 1 32 CYS H 1 32 CYS QB 2.700 . 3.900 2.117 2.117 2.117 . 0 0 "[ ]" 1
372 1 32 CYS H 1 33 LEU H 5.000 . 5.400 4.623 4.623 4.623 . 0 0 "[ ]" 1
373 1 32 CYS HA 1 33 LEU H 2.700 . 2.900 2.485 2.485 2.485 . 0 0 "[ ]" 1
374 1 32 CYS QB 1 33 LEU H 3.300 . 4.500 2.465 2.465 2.465 . 0 0 "[ ]" 1
375 1 33 LEU H 1 33 LEU HA 2.700 . 2.900 2.951 2.951 2.951 0.051 1 0 "[ ]" 1
376 1 33 LEU H 1 33 LEU QD 3.300 . 6.000 3.047 3.047 3.047 . 0 0 "[ ]" 1
377 1 35 ALA H 1 35 ALA MB 2.700 . 4.400 2.341 2.341 2.341 . 0 0 "[ ]" 1
378 1 37 VAL H 1 37 VAL HB 3.300 . 3.500 2.604 2.604 2.604 . 0 0 "[ ]" 1
379 1 37 VAL H 1 37 VAL MG1 3.300 . 5.000 3.789 3.789 3.789 . 0 0 "[ ]" 1
380 1 37 VAL H 1 37 VAL MG2 2.700 . 4.400 2.275 2.275 2.275 . 0 0 "[ ]" 1
381 1 38 ILE H 1 38 ILE HB 2.700 . 2.900 2.354 2.354 2.354 . 0 0 "[ ]" 1
382 1 39 PHE H 1 39 PHE QB 2.700 . 3.900 2.222 2.222 2.222 . 0 0 "[ ]" 1
383 1 40 THR H 1 40 THR HA 2.700 . 2.900 2.974 2.974 2.974 0.074 1 0 "[ ]" 1
384 1 41 THR H 1 41 THR HA 2.700 . 2.900 2.947 2.947 2.947 0.047 1 0 "[ ]" 1
385 1 41 THR H 1 41 THR HB 2.700 . 2.900 2.829 2.829 2.829 . 0 0 "[ ]" 1
386 1 44 GLY H 1 44 GLY HA3 2.700 . 2.900 2.980 2.980 2.980 0.080 1 0 "[ ]" 1
387 1 44 GLY H 1 44 GLY HA2 2.700 . 2.900 2.500 2.500 2.500 . 0 0 "[ ]" 1
388 1 45 GLN H 1 45 GLN QB 2.700 . 3.900 2.106 2.106 2.106 . 0 0 "[ ]" 1
389 1 45 GLN H 1 45 GLN QG 3.300 . 4.500 3.672 3.672 3.672 . 0 0 "[ ]" 1
390 1 47 SER H 1 47 SER QB 3.300 . 4.500 2.523 2.523 2.523 . 0 0 "[ ]" 1
391 1 48 CYS H 1 48 CYS QB 2.700 . 3.900 2.399 2.399 2.399 . 0 0 "[ ]" 1
392 1 49 GLY H 1 49 GLY HA3 2.700 . 2.900 2.446 2.446 2.446 . 0 0 "[ ]" 1
393 1 50 ASP H 1 50 ASP QB 2.700 . 3.900 2.244 2.244 2.244 . 0 0 "[ ]" 1
394 1 52 LYS H 1 52 LYS HA 2.700 . 2.900 2.863 2.863 2.863 . 0 0 "[ ]" 1
395 1 53 GLN H 1 53 GLN QB 2.700 . 3.900 2.378 2.378 2.378 . 0 0 "[ ]" 1
396 1 53 GLN H 1 53 GLN QG 2.700 . 3.900 2.136 2.136 2.136 . 0 0 "[ ]" 1
397 1 54 GLU H 1 54 GLU QB 2.700 . 3.900 2.016 2.016 2.016 . 0 0 "[ ]" 1
398 1 54 GLU H 1 54 GLU QG 3.300 . 4.500 3.278 3.278 3.278 . 0 0 "[ ]" 1
399 1 55 TRP H 1 55 TRP HD1 2.700 . 2.900 2.269 2.269 2.269 . 0 0 "[ ]" 1
400 1 55 TRP H 1 55 TRP HE1 5.000 . 5.200 4.271 4.271 4.271 . 0 0 "[ ]" 1
401 1 56 VAL H 1 56 VAL HB 2.700 . 2.900 2.322 2.322 2.322 . 0 0 "[ ]" 1
402 1 56 VAL H 1 56 VAL MG2 2.700 . 4.400 2.485 2.485 2.485 . 0 0 "[ ]" 1
403 1 56 VAL H 1 56 VAL MG1 3.300 . 5.000 3.713 3.713 3.713 . 0 0 "[ ]" 1
404 1 56 VAL H 1 57 GLN HA 5.000 . 5.200 5.177 5.177 5.177 . 0 0 "[ ]" 1
405 1 56 VAL HA 1 57 GLN H 5.000 . 5.200 3.566 3.566 3.566 . 0 0 "[ ]" 1
406 1 56 VAL HB 1 57 GLN H 2.700 . 2.900 2.292 2.292 2.292 . 0 0 "[ ]" 1
407 1 56 VAL MG2 1 57 GLN H 3.300 . 5.000 3.760 3.760 3.760 . 0 0 "[ ]" 1
408 1 56 VAL MG1 1 57 GLN H 3.300 . 5.000 3.166 3.166 3.166 . 0 0 "[ ]" 1
409 1 57 GLN H 1 57 GLN HA 2.700 . 2.900 2.862 2.862 2.862 . 0 0 "[ ]" 1
410 1 57 GLN H 1 57 GLN QB 2.700 . 3.900 1.932 1.932 1.932 . 0 0 "[ ]" 1
411 1 57 GLN H 1 57 GLN QG 2.700 . 3.900 3.533 3.533 3.533 . 0 0 "[ ]" 1
412 1 58 ARG H 1 58 ARG HA 2.700 . 2.900 2.841 2.841 2.841 . 0 0 "[ ]" 1
413 1 58 ARG H 1 58 ARG QG 3.300 . 4.500 3.913 3.913 3.913 . 0 0 "[ ]" 1
414 1 59 TYR H 1 59 TYR QB 2.700 . 3.900 2.380 2.380 2.380 . 0 0 "[ ]" 1
415 1 60 MET H 1 60 MET QG 2.700 . 3.900 2.243 2.243 2.243 . 0 0 "[ ]" 1
416 1 61 LYS H 1 61 LYS HA 2.700 . 2.900 2.895 2.895 2.895 . 0 0 "[ ]" 1
417 1 62 ASN H 1 62 ASN HA 2.700 . 2.900 2.906 2.906 2.906 0.006 1 0 "[ ]" 1
418 1 62 ASN H 1 62 ASN QB 2.700 . 3.900 2.027 2.027 2.027 . 0 0 "[ ]" 1
419 1 63 LEU H 1 63 LEU MD2 3.300 . 5.000 4.125 4.125 4.125 . 0 0 "[ ]" 1
420 1 63 LEU H 1 63 LEU MD1 3.300 . 5.000 3.072 3.072 3.072 . 0 0 "[ ]" 1
421 1 63 LEU H 1 63 LEU HG 2.700 . 2.900 2.929 2.929 2.929 0.029 1 0 "[ ]" 1
422 1 64 ASP H 1 64 ASP QB 2.700 . 3.900 1.942 1.942 1.942 . 0 0 "[ ]" 1
423 1 65 ALA H 1 65 ALA MB 2.700 . 4.400 2.154 2.154 2.154 . 0 0 "[ ]" 1
424 1 66 LYS H 1 66 LYS QB 2.700 . 3.900 2.211 2.211 2.211 . 0 0 "[ ]" 1
425 1 67 GLN H 1 67 GLN QB 2.700 . 3.900 2.176 2.176 2.176 . 0 0 "[ ]" 1
426 1 68 LYS H 1 68 LYS QB 2.700 . 3.900 2.163 2.163 2.163 . 0 0 "[ ]" 1
427 1 68 LYS H 1 68 LYS QG 3.300 . 4.500 3.961 3.961 3.961 . 0 0 "[ ]" 1
428 1 69 LYS H 1 69 LYS QB 2.700 . 3.900 2.187 2.187 2.187 . 0 0 "[ ]" 1
429 1 69 LYS H 1 69 LYS QG 3.300 . 4.500 2.358 2.358 2.358 . 0 0 "[ ]" 1
430 1 70 ALA H 1 70 ALA MB 2.700 . 4.400 1.958 1.958 1.958 . 0 0 "[ ]" 1
431 1 22 VAL H 1 22 VAL MG2 2.700 . 4.400 1.874 1.874 1.874 . 0 0 "[ ]" 1
432 1 2 VAL H 1 2 VAL QG 3.300 . 4.500 2.002 2.002 2.002 . 0 0 "[ ]" 1
433 1 26 LEU H 1 26 LEU MD2 3.300 . 5.000 3.632 3.632 3.632 . 0 0 "[ ]" 1
434 1 38 ILE H 1 38 ILE QG 3.300 . 4.500 3.581 3.581 3.581 . 0 0 "[ ]" 1
435 1 8 CYS H 1 8 CYS QB 3.300 . 4.500 2.521 2.521 2.521 . 0 0 "[ ]" 1
436 1 11 PHE H 1 11 PHE QB 2.700 . 3.900 2.103 2.103 2.103 . 0 0 "[ ]" 1
437 1 14 LYS H 1 14 LYS QG 2.700 . 3.900 2.419 2.419 2.419 . 0 0 "[ ]" 1
438 1 18 GLU H 1 18 GLU QB 2.700 . 3.900 2.035 2.035 2.035 . 0 0 "[ ]" 1
439 1 1 VAL HA 1 2 VAL H 2.700 . 2.900 2.495 2.495 2.495 . 0 0 "[ ]" 1
440 1 2 VAL HA 1 3 ILE H 2.700 . 2.900 2.169 2.169 2.169 . 0 0 "[ ]" 1
441 1 4 PRO HA 1 5 SER H 3.300 . 3.500 3.512 3.512 3.512 0.012 1 0 "[ ]" 1
442 1 7 CYS HA 1 8 CYS H 2.700 . 2.900 2.785 2.785 2.785 . 0 0 "[ ]" 1
443 1 7 CYS QB 1 8 CYS H 3.300 . 4.500 2.457 2.457 2.457 . 0 0 "[ ]" 1
444 1 9 MET H 1 10 PHE H 3.300 . 3.700 1.969 1.969 1.969 . 0 0 "[ ]" 1
445 1 9 MET QB 1 10 PHE H 5.000 . 6.200 2.606 2.606 2.606 . 0 0 "[ ]" 1
446 1 9 MET QG 1 10 PHE H 3.300 . 4.500 3.779 3.779 3.779 . 0 0 "[ ]" 1
447 1 10 PHE HA 1 11 PHE H 2.700 . 2.900 2.495 2.495 2.495 . 0 0 "[ ]" 1
448 1 10 PHE H 1 11 PHE H 5.000 . 5.400 4.451 4.451 4.451 . 0 0 "[ ]" 1
449 1 11 PHE H 1 12 VAL H 5.000 . 5.400 4.572 4.572 4.572 . 0 0 "[ ]" 1
450 1 11 PHE HA 1 12 VAL H 2.700 . 2.900 2.270 2.270 2.270 . 0 0 "[ ]" 1
451 1 11 PHE QB 1 12 VAL H 3.300 . 4.500 3.281 3.281 3.281 . 0 0 "[ ]" 1
452 1 12 VAL HA 1 13 SER H 2.700 . 2.900 2.264 2.264 2.264 . 0 0 "[ ]" 1
453 1 12 VAL HB 1 13 SER H 3.300 . 3.500 3.170 3.170 3.170 . 0 0 "[ ]" 1
454 1 12 VAL QG 1 13 SER H 3.300 . 6.000 3.510 3.510 3.510 . 0 0 "[ ]" 1
455 1 13 SER H 1 14 LYS H 2.700 . 3.100 2.654 2.654 2.654 . 0 0 "[ ]" 1
456 1 13 SER HA 1 14 LYS H 3.300 . 3.500 3.459 3.459 3.459 . 0 0 "[ ]" 1
457 1 13 SER QB 1 14 LYS H 3.300 . 4.500 2.930 2.930 2.930 . 0 0 "[ ]" 1
458 1 14 LYS HA 1 15 ARG H 2.700 . 2.900 2.895 2.895 2.895 . 0 0 "[ ]" 1
459 1 14 LYS QB 1 15 ARG H 2.700 . 3.900 1.927 1.927 1.927 . 0 0 "[ ]" 1
460 1 14 LYS H 1 15 ARG H 5.000 . 5.400 4.271 4.271 4.271 . 0 0 "[ ]" 1
461 1 15 ARG HA 1 16 ILE H 2.700 . 2.900 2.901 2.901 2.901 0.001 1 0 "[ ]" 1
462 1 17 PRO HA 1 18 GLU H 2.700 . 2.900 2.235 2.235 2.235 . 0 0 "[ ]" 1
463 1 17 PRO QB 1 18 GLU H 3.300 . 4.500 3.610 3.610 3.610 . 0 0 "[ ]" 1
464 1 18 GLU H 1 19 ASN H 3.300 . 3.700 2.930 2.930 2.930 . 0 0 "[ ]" 1
465 1 18 GLU HA 1 19 ASN H 5.000 . 5.200 3.522 3.522 3.522 . 0 0 "[ ]" 1
466 1 18 GLU QB 1 19 ASN H 2.700 . 3.900 2.791 2.791 2.791 . 0 0 "[ ]" 1
467 1 19 ASN H 1 20 ARG H 2.700 . 3.100 2.651 2.651 2.651 . 0 0 "[ ]" 1
468 1 20 ARG H 1 21 VAL H 2.700 . 3.100 1.981 1.981 1.981 . 0 0 "[ ]" 1
469 1 20 ARG HA 1 21 VAL H 3.300 . 3.500 3.537 3.537 3.537 0.037 1 0 "[ ]" 1
470 1 20 ARG QG 1 21 VAL H 3.300 . 4.500 4.102 4.102 4.102 . 0 0 "[ ]" 1
471 1 21 VAL HA 1 22 VAL H 2.700 . 2.900 2.375 2.375 2.375 . 0 0 "[ ]" 1
472 1 21 VAL MG1 1 22 VAL H 3.300 . 5.000 1.992 1.992 1.992 . 0 0 "[ ]" 1
473 1 22 VAL H 1 23 SER H 2.700 . 3.100 1.942 1.942 1.942 . 0 0 "[ ]" 1
474 1 22 VAL HA 1 23 SER H 5.000 . 5.200 3.554 3.554 3.554 . 0 0 "[ ]" 1
475 1 22 VAL HB 1 23 SER H 3.300 . 3.500 3.347 3.347 3.347 . 0 0 "[ ]" 1
476 1 23 SER HA 1 24 TYR H 3.300 . 3.500 2.328 2.328 2.328 . 0 0 "[ ]" 1
477 1 23 SER QB 1 24 TYR H 2.700 . 3.900 3.602 3.602 3.602 . 0 0 "[ ]" 1
478 1 25 GLN HA 1 26 LEU H 2.700 . 2.900 2.330 2.330 2.330 . 0 0 "[ ]" 1
479 1 26 LEU HA 1 27 SER H 2.700 . 2.900 2.211 2.211 2.211 . 0 0 "[ ]" 1
480 1 26 LEU QB 1 27 SER H 3.300 . 4.500 3.205 3.205 3.205 . 0 0 "[ ]" 1
481 1 26 LEU H 1 27 SER H 5.000 . 5.400 4.635 4.635 4.635 . 0 0 "[ ]" 1
482 1 27 SER HA 1 28 SER H 2.700 . 2.900 2.516 2.516 2.516 . 0 0 "[ ]" 1
483 1 28 SER HA 1 29 ARG H 2.700 . 2.900 2.269 2.269 2.269 . 0 0 "[ ]" 1
484 1 29 ARG HA 1 30 SER H 3.300 . 3.500 2.326 2.326 2.326 . 0 0 "[ ]" 1
485 1 30 SER H 1 31 THR H 5.000 . 5.400 2.353 2.353 2.353 . 0 0 "[ ]" 1
486 1 30 SER QB 1 31 THR H 5.000 . 6.200 2.639 2.639 2.639 . 0 0 "[ ]" 1
487 1 31 THR HA 1 32 CYS H 3.300 . 3.500 3.487 3.487 3.487 . 0 0 "[ ]" 1
488 1 31 THR MG 1 32 CYS H 5.000 . 6.700 3.861 3.861 3.861 . 0 0 "[ ]" 1
489 1 31 THR H 1 32 CYS H 2.700 . 3.100 2.765 2.765 2.765 . 0 0 "[ ]" 1
490 1 33 LEU HA 1 34 LYS H 3.300 . 3.500 3.515 3.515 3.515 0.015 1 0 "[ ]" 1
491 1 33 LEU QB 1 34 LYS H 3.300 . 4.500 2.866 2.866 2.866 . 0 0 "[ ]" 1
492 1 34 LYS H 1 35 ALA H 5.000 . 5.400 4.473 4.473 4.473 . 0 0 "[ ]" 1
493 1 35 ALA HA 1 36 GLY H 2.700 . 2.900 2.219 2.219 2.219 . 0 0 "[ ]" 1
494 1 35 ALA MB 1 36 GLY H 3.300 . 5.000 3.239 3.239 3.239 . 0 0 "[ ]" 1
495 1 36 GLY HA3 1 37 VAL H 2.700 . 2.900 2.644 2.644 2.644 . 0 0 "[ ]" 1
496 1 36 GLY HA2 1 37 VAL H 2.700 . 2.900 2.610 2.610 2.610 . 0 0 "[ ]" 1
497 1 37 VAL MG1 1 38 ILE H 3.300 . 5.000 1.929 1.929 1.929 . 0 0 "[ ]" 1
498 1 37 VAL HA 1 38 ILE H 2.700 . 2.900 2.394 2.394 2.394 . 0 0 "[ ]" 1
499 1 38 ILE H 1 39 PHE H 5.000 . 5.400 4.346 4.346 4.346 . 0 0 "[ ]" 1
500 1 38 ILE HA 1 39 PHE H 2.700 . 2.900 2.219 2.219 2.219 . 0 0 "[ ]" 1
501 1 40 THR HA 1 41 THR H 2.700 . 2.900 2.277 2.277 2.277 . 0 0 "[ ]" 1
502 1 40 THR HB 1 41 THR H 5.000 . 5.200 4.170 4.170 4.170 . 0 0 "[ ]" 1
503 1 43 LYS HA 1 44 GLY H 3.300 . 3.500 3.473 3.473 3.473 . 0 0 "[ ]" 1
504 1 43 LYS QB 1 44 GLY H 3.300 . 4.500 2.994 2.994 2.994 . 0 0 "[ ]" 1
505 1 44 GLY H 1 45 GLN H 3.300 . 3.700 1.944 1.944 1.944 . 0 0 "[ ]" 1
506 1 44 GLY QA 1 45 GLN H 3.300 . 4.500 2.830 2.830 2.830 . 0 0 "[ ]" 1
507 1 45 GLN H 1 46 GLN H 5.000 . 5.400 4.520 4.520 4.520 . 0 0 "[ ]" 1
508 1 46 GLN HA 1 47 SER H 2.700 . 2.900 2.265 2.265 2.265 . 0 0 "[ ]" 1
509 1 46 GLN QB 1 47 SER H 3.300 . 4.500 3.844 3.844 3.844 . 0 0 "[ ]" 1
510 1 46 GLN H 1 47 SER H 3.300 . 3.700 3.727 3.727 3.727 0.027 1 0 "[ ]" 1
511 1 47 SER HA 1 48 CYS H 2.700 . 2.900 2.278 2.278 2.278 . 0 0 "[ ]" 1
512 1 47 SER QB 1 48 CYS H 3.300 . 4.500 2.994 2.994 2.994 . 0 0 "[ ]" 1
513 1 47 SER H 1 48 CYS H 5.000 . 5.400 4.525 4.525 4.525 . 0 0 "[ ]" 1
514 1 48 CYS HA 1 49 GLY H 2.700 . 2.900 2.222 2.222 2.222 . 0 0 "[ ]" 1
515 1 48 CYS QB 1 49 GLY H 3.300 . 4.500 3.373 3.373 3.373 . 0 0 "[ ]" 1
516 1 49 GLY HA3 1 50 ASP H 2.700 . 2.900 2.974 2.974 2.974 0.074 1 0 "[ ]" 1
517 1 49 GLY HA2 1 50 ASP H 2.700 . 2.900 2.252 2.252 2.252 . 0 0 "[ ]" 1
518 1 49 GLY H 1 50 ASP H 5.000 . 5.400 4.552 4.552 4.552 . 0 0 "[ ]" 1
519 1 52 LYS HA 1 53 GLN H 3.300 . 3.500 3.482 3.482 3.482 . 0 0 "[ ]" 1
520 1 52 LYS H 1 53 GLN H 2.700 . 3.100 2.625 2.625 2.625 . 0 0 "[ ]" 1
521 1 53 GLN HA 1 54 GLU H 2.700 . 2.900 2.395 2.395 2.395 . 0 0 "[ ]" 1
522 1 53 GLN QB 1 54 GLU H 3.300 . 4.500 2.693 2.693 2.693 . 0 0 "[ ]" 1
523 1 53 GLN H 1 54 GLU H 5.000 . 5.400 4.649 4.649 4.649 . 0 0 "[ ]" 1
524 1 54 GLU H 1 55 TRP H 3.300 . 3.700 2.429 2.429 2.429 . 0 0 "[ ]" 1
525 1 54 GLU HA 1 55 TRP H 5.000 . 5.200 3.462 3.462 3.462 . 0 0 "[ ]" 1
526 1 54 GLU QB 1 55 TRP H 2.700 . 3.900 3.193 3.193 3.193 . 0 0 "[ ]" 1
527 1 54 GLU QG 1 55 TRP H 5.000 . 6.200 4.610 4.610 4.610 . 0 0 "[ ]" 1
528 1 55 TRP H 1 56 VAL MG2 3.300 . 5.000 4.061 4.061 4.061 . 0 0 "[ ]" 1
529 1 57 GLN HA 1 58 ARG H 5.000 . 5.200 3.576 3.576 3.576 . 0 0 "[ ]" 1
530 1 57 GLN H 1 58 ARG H 3.300 . 3.700 2.687 2.687 2.687 . 0 0 "[ ]" 1
531 1 58 ARG HA 1 59 TYR H 5.000 . 5.200 3.591 3.591 3.591 . 0 0 "[ ]" 1
532 1 58 ARG QG 1 59 TYR H 3.300 . 4.500 2.897 2.897 2.897 . 0 0 "[ ]" 1
533 1 58 ARG H 1 59 TYR H 3.300 . 3.700 2.944 2.944 2.944 . 0 0 "[ ]" 1
534 1 59 TYR H 1 60 MET H 3.300 . 3.700 2.807 2.807 2.807 . 0 0 "[ ]" 1
535 1 59 TYR HA 1 60 MET H 3.300 . 3.500 3.547 3.547 3.547 0.047 1 0 "[ ]" 1
536 1 59 TYR QB 1 60 MET H 3.300 . 4.500 2.152 2.152 2.152 . 0 0 "[ ]" 1
537 1 60 MET H 1 61 LYS H 3.300 . 3.700 2.739 2.739 2.739 . 0 0 "[ ]" 1
538 1 60 MET HA 1 61 LYS H 5.000 . 5.200 3.533 3.533 3.533 . 0 0 "[ ]" 1
539 1 61 LYS HA 1 62 ASN H 5.000 . 5.200 3.592 3.592 3.592 . 0 0 "[ ]" 1
540 1 61 LYS QB 1 62 ASN H 2.700 . 3.900 2.245 2.245 2.245 . 0 0 "[ ]" 1
541 1 61 LYS H 1 62 ASN H 3.300 . 3.700 2.695 2.695 2.695 . 0 0 "[ ]" 1
542 1 62 ASN HA 1 63 LEU H 5.000 . 5.200 3.516 3.516 3.516 . 0 0 "[ ]" 1
543 1 62 ASN QB 1 63 LEU H 3.300 . 4.500 2.757 2.757 2.757 . 0 0 "[ ]" 1
544 1 63 LEU H 1 64 ASP H 2.700 . 3.100 2.587 2.587 2.587 . 0 0 "[ ]" 1
545 1 63 LEU HA 1 64 ASP H 3.300 . 3.500 3.519 3.519 3.519 0.019 1 0 "[ ]" 1
546 1 63 LEU MD2 1 64 ASP H 5.000 . 6.700 4.813 4.813 4.813 . 0 0 "[ ]" 1
547 1 63 LEU MD1 1 64 ASP H 5.000 . 6.700 4.536 4.536 4.536 . 0 0 "[ ]" 1
548 1 63 LEU HG 1 64 ASP H 5.000 . 5.200 4.745 4.745 4.745 . 0 0 "[ ]" 1
549 1 64 ASP H 1 65 ALA H 3.300 . 3.700 2.614 2.614 2.614 . 0 0 "[ ]" 1
550 1 64 ASP QB 1 65 ALA H 3.300 . 4.500 2.700 2.700 2.700 . 0 0 "[ ]" 1
551 1 65 ALA H 1 66 LYS H 2.700 . 3.100 2.541 2.541 2.541 . 0 0 "[ ]" 1
552 1 66 LYS HA 1 67 GLN H 3.300 . 3.500 3.562 3.562 3.562 0.062 1 0 "[ ]" 1
553 1 66 LYS QB 1 67 GLN H 2.700 . 3.900 1.937 1.937 1.937 . 0 0 "[ ]" 1
554 1 66 LYS QG 1 67 GLN H 3.300 . 4.500 2.708 2.708 2.708 . 0 0 "[ ]" 1
555 1 66 LYS H 1 67 GLN H 2.700 . 3.100 2.752 2.752 2.752 . 0 0 "[ ]" 1
556 1 67 GLN QB 1 68 LYS H 3.300 . 4.500 1.927 1.927 1.927 . 0 0 "[ ]" 1
557 1 67 GLN H 1 68 LYS H 3.300 . 3.700 3.247 3.247 3.247 . 0 0 "[ ]" 1
558 1 69 LYS HA 1 70 ALA H 2.700 . 2.900 2.455 2.455 2.455 . 0 0 "[ ]" 1
559 1 70 ALA HA 1 71 SER H 3.300 . 3.500 3.534 3.534 3.534 0.034 1 0 "[ ]" 1
560 1 70 ALA MB 1 71 SER H 5.000 . 6.700 1.908 1.908 1.908 . 0 0 "[ ]" 1
561 1 72 PRO HA 1 73 ARG H 5.000 . 5.200 3.509 3.509 3.509 . 0 0 "[ ]" 1
562 1 56 VAL H 1 57 GLN H 2.700 . 3.100 2.485 2.485 2.485 . 0 0 "[ ]" 1
563 1 55 TRP H 1 56 VAL H 3.300 . 3.700 2.419 2.419 2.419 . 0 0 "[ ]" 1
564 1 33 LEU H 1 34 LYS H 3.300 . 3.700 2.289 2.289 2.289 . 0 0 "[ ]" 1
565 1 14 LYS QG 1 15 ARG H 5.000 . 6.200 2.511 2.511 2.511 . 0 0 "[ ]" 1
566 1 20 ARG H 1 21 VAL MG2 3.300 . 5.000 3.350 3.350 3.350 . 0 0 "[ ]" 1
567 1 22 VAL MG2 1 23 SER H 2.700 . 4.400 1.840 1.840 1.840 . 0 0 "[ ]" 1
568 1 26 LEU MD2 1 27 SER H 3.300 . 5.000 2.820 2.820 2.820 . 0 0 "[ ]" 1
569 1 12 VAL HB 1 14 LYS H 3.300 . 3.500 2.406 2.406 2.406 . 0 0 "[ ]" 1
570 1 17 PRO QB 1 19 ASN H 5.000 . 6.200 2.831 2.831 2.831 . 0 0 "[ ]" 1
571 1 18 GLU HA 1 20 ARG H 5.000 . 5.200 3.573 3.573 3.573 . 0 0 "[ ]" 1
572 1 18 GLU HA 1 21 VAL H 5.000 . 5.200 3.237 3.237 3.237 . 0 0 "[ ]" 1
573 1 32 CYS QB 1 34 LYS H 5.000 . 6.200 2.598 2.598 2.598 . 0 0 "[ ]" 1
574 1 41 THR H 1 45 GLN H 5.000 . 5.400 2.801 2.801 2.801 . 0 0 "[ ]" 1
575 1 41 THR H 1 46 GLN HA 3.300 . 3.500 3.525 3.525 3.525 0.025 1 0 "[ ]" 1
576 1 42 LYS HA 1 44 GLY H 5.000 . 5.200 3.797 3.797 3.797 . 0 0 "[ ]" 1
577 1 52 LYS H 1 56 VAL MG1 5.000 . 6.700 5.233 5.233 5.233 . 0 0 "[ ]" 1
578 1 53 GLN H 1 56 VAL MG2 3.300 . 5.000 3.737 3.737 3.737 . 0 0 "[ ]" 1
579 1 53 GLN H 1 56 VAL MG1 5.000 . 6.700 4.880 4.880 4.880 . 0 0 "[ ]" 1
580 1 54 GLU H 1 56 VAL MG2 5.000 . 6.700 5.290 5.290 5.290 . 0 0 "[ ]" 1
581 1 53 GLN QB 1 55 TRP H 2.700 . 3.900 2.644 2.644 2.644 . 0 0 "[ ]" 1
582 1 56 VAL MG2 1 58 ARG H 5.000 . 6.700 5.305 5.305 5.305 . 0 0 "[ ]" 1
583 1 56 VAL HA 1 59 TYR H 5.000 . 5.200 3.777 3.777 3.777 . 0 0 "[ ]" 1
584 1 56 VAL MG2 1 59 TYR H 5.000 . 6.700 5.256 5.256 5.256 . 0 0 "[ ]" 1
585 1 56 VAL MG1 1 59 TYR H 5.000 . 6.700 5.063 5.063 5.063 . 0 0 "[ ]" 1
586 1 57 GLN H 1 59 TYR H 5.000 . 5.400 4.526 4.526 4.526 . 0 0 "[ ]" 1
587 1 56 VAL HA 1 60 MET H 5.000 . 5.200 3.572 3.572 3.572 . 0 0 "[ ]" 1
588 1 57 GLN HA 1 60 MET H 5.000 . 5.200 3.707 3.707 3.707 . 0 0 "[ ]" 1
589 1 58 ARG H 1 60 MET H 5.000 . 5.400 4.165 4.165 4.165 . 0 0 "[ ]" 1
590 1 59 TYR H 1 61 LYS H 5.000 . 5.400 3.930 3.930 3.930 . 0 0 "[ ]" 1
591 1 59 TYR HA 1 62 ASN H 3.300 . 3.500 3.539 3.539 3.539 0.039 1 0 "[ ]" 1
592 1 62 ASN H 1 64 ASP H 5.000 . 5.400 4.067 4.067 4.067 . 0 0 "[ ]" 1
593 1 60 MET HA 1 63 LEU H 5.000 . 5.200 3.563 3.563 3.563 . 0 0 "[ ]" 1
594 1 61 LYS HA 1 64 ASP H 5.000 . 5.200 3.724 3.724 3.724 . 0 0 "[ ]" 1
595 1 62 ASN HA 1 65 ALA H 3.300 . 3.500 3.492 3.492 3.492 . 0 0 "[ ]" 1
596 1 58 ARG QG 1 61 LYS H 5.000 . 6.200 4.639 4.639 4.639 . 0 0 "[ ]" 1
597 1 21 VAL MG1 1 23 SER H 2.700 . 4.400 2.596 2.596 2.596 . 0 0 "[ ]" 1
598 1 37 VAL MG1 1 39 PHE H 5.000 . 6.700 4.700 4.700 4.700 . 0 0 "[ ]" 1
599 1 41 THR MG 1 43 LYS H 5.000 . 6.700 2.610 2.610 2.610 . 0 0 "[ ]" 1
600 1 41 THR MG 1 45 GLN H 3.300 . 5.000 4.167 4.167 4.167 . 0 0 "[ ]" 1
601 1 22 VAL H 1 41 THR HA 3.300 . 3.500 3.448 3.448 3.448 . 0 0 "[ ]" 1
602 1 23 SER H 1 41 THR HA 5.000 . 5.200 5.124 5.124 5.124 . 0 0 "[ ]" 1
603 1 24 TYR H 1 37 VAL MG1 5.000 . 6.700 4.762 4.762 4.762 . 0 0 "[ ]" 1
604 1 24 TYR H 1 56 VAL MG1 6.000 . 7.700 6.322 6.322 6.322 . 0 0 "[ ]" 1
605 1 27 SER H 1 36 GLY H 5.000 . 5.400 4.321 4.321 4.321 . 0 0 "[ ]" 1
606 1 27 SER H 1 37 VAL HA 5.000 . 5.200 2.921 2.921 2.921 . 0 0 "[ ]" 1
607 1 27 SER H 1 37 VAL MG1 3.300 . 5.000 4.033 4.033 4.033 . 0 0 "[ ]" 1
608 1 27 SER QB 1 36 GLY H 3.300 . 4.500 3.957 3.957 3.957 . 0 0 "[ ]" 1
609 1 37 VAL H 1 56 VAL MG2 3.300 . 5.000 3.926 3.926 3.926 . 0 0 "[ ]" 1
610 1 37 VAL H 1 56 VAL MG1 5.000 . 6.700 3.650 3.650 3.650 . 0 0 "[ ]" 1
611 1 25 GLN H 1 38 ILE H 3.300 . 3.700 2.351 2.351 2.351 . 0 0 "[ ]" 1
612 1 26 LEU HA 1 38 ILE H 5.000 . 5.200 3.264 3.264 3.264 . 0 0 "[ ]" 1
613 1 39 PHE H 1 47 SER H 3.300 . 3.700 3.716 3.716 3.716 0.016 1 0 "[ ]" 1
614 1 39 PHE H 1 48 CYS HA 3.300 . 3.500 2.817 2.817 2.817 . 0 0 "[ ]" 1
615 1 23 SER H 1 40 THR H 3.300 . 3.700 3.008 3.008 3.008 . 0 0 "[ ]" 1
616 1 40 THR HA 1 47 SER H 3.300 . 3.500 2.819 2.819 2.819 . 0 0 "[ ]" 1
617 1 37 VAL HB 1 49 GLY H 3.300 . 3.500 3.498 3.498 3.498 . 0 0 "[ ]" 1
618 1 37 VAL MG1 1 49 GLY H 5.000 . 6.700 4.319 4.319 4.319 . 0 0 "[ ]" 1
619 1 37 VAL H 1 49 GLY H 3.300 . 3.700 3.734 3.734 3.734 0.034 1 0 "[ ]" 1
620 1 38 ILE HA 1 49 GLY H 3.300 . 3.500 2.543 2.543 2.543 . 0 0 "[ ]" 1
621 1 49 GLY H 1 56 VAL MG2 3.300 . 5.000 4.020 4.020 4.020 . 0 0 "[ ]" 1
622 1 49 GLY H 1 56 VAL MG1 5.000 . 6.700 4.726 4.726 4.726 . 0 0 "[ ]" 1
623 1 50 ASP H 1 56 VAL MG2 3.300 . 5.000 2.844 2.844 2.844 . 0 0 "[ ]" 1
624 1 50 ASP H 1 56 VAL MG1 5.000 . 6.700 4.655 4.655 4.655 . 0 0 "[ ]" 1
625 1 23 SER H 1 63 LEU MD1 5.000 . 6.700 4.425 4.425 4.425 . 0 0 "[ ]" 1
626 1 16 ILE MD 1 41 THR H 5.000 . 6.700 5.544 5.544 5.544 . 0 0 "[ ]" 1
627 1 12 VAL QG 1 48 CYS H 3.300 . 6.000 2.725 2.725 2.725 . 0 0 "[ ]" 1
628 1 39 PHE QE 1 60 MET H 5.000 . 6.200 3.582 3.582 3.582 . 0 0 "[ ]" 1
629 1 39 PHE HZ 1 60 MET H 5.000 . 5.200 3.297 3.297 3.297 . 0 0 "[ ]" 1
630 1 12 VAL MG2 1 55 TRP HE1 3.300 . 4.800 3.308 3.308 3.308 . 0 0 "[ ]" 1
631 1 54 GLU H 1 55 TRP HD1 5.000 . 5.200 3.374 3.374 3.374 . 0 0 "[ ]" 1
632 1 55 TRP HD1 1 56 VAL H 5.000 . 5.200 3.754 3.754 3.754 . 0 0 "[ ]" 1
633 1 42 LYS HA 1 43 LYS H 3.300 . 3.500 3.485 3.485 3.485 . 0 0 "[ ]" 1
634 1 22 VAL MG2 1 42 LYS H 3.300 . 5.000 3.246 3.246 3.246 . 0 0 "[ ]" 1
635 1 22 VAL MG1 1 42 LYS H 3.300 . 5.000 2.820 2.820 2.820 . 0 0 "[ ]" 1
636 1 41 THR MG 1 42 LYS H 3.300 . 5.000 2.346 2.346 2.346 . 0 0 "[ ]" 1
637 1 42 LYS H 1 42 LYS QG 2.700 . 3.900 1.988 1.988 1.988 . 0 0 "[ ]" 1
638 1 42 LYS H 1 42 LYS HA 2.700 . 2.900 2.898 2.898 2.898 . 0 0 "[ ]" 1
639 1 41 THR HA 1 42 LYS H 2.700 . 2.900 2.440 2.440 2.440 . 0 0 "[ ]" 1
640 1 69 LYS QB 1 70 ALA H 5.000 . 6.200 3.907 3.907 3.907 . 0 0 "[ ]" 1
641 1 28 SER H 1 38 ILE MD 5.000 . 6.700 5.491 5.491 5.491 . 0 0 "[ ]" 1
642 1 23 SER H 1 40 THR HB 3.300 . 3.500 3.434 3.434 3.434 . 0 0 "[ ]" 1
643 1 42 LYS H 1 43 LYS H 3.300 . 3.700 2.534 2.534 2.534 . 0 0 "[ ]" 1
644 1 41 THR HA 1 43 LYS H 5.000 . 5.200 4.109 4.109 4.109 . 0 0 "[ ]" 1
645 1 22 VAL H 1 42 LYS H 5.000 . 5.400 4.714 4.714 4.714 . 0 0 "[ ]" 1
646 1 41 THR H 1 42 LYS H 5.000 . 5.400 4.622 4.622 4.622 . 0 0 "[ ]" 1
647 1 22 VAL H 1 41 THR H 5.000 . 5.400 5.046 5.046 5.046 . 0 0 "[ ]" 1
648 1 43 LYS QG 1 44 GLY H 5.000 . 6.200 4.495 4.495 4.495 . 0 0 "[ ]" 1
649 1 40 THR MG 1 44 GLY H 5.000 . 6.700 3.646 3.646 3.646 . 0 0 "[ ]" 1
650 1 41 THR MG 1 44 GLY H 5.000 . 6.700 4.184 4.184 4.184 . 0 0 "[ ]" 1
651 1 23 SER H 1 40 THR MG 5.000 . 6.700 4.221 4.221 4.221 . 0 0 "[ ]" 1
652 1 8 CYS H 1 38 ILE MD 5.000 . 6.700 5.041 5.041 5.041 . 0 0 "[ ]" 1
653 1 27 SER H 1 38 ILE MD 3.300 . 5.000 3.094 3.094 3.094 . 0 0 "[ ]" 1
654 1 38 ILE QG 1 39 PHE H 5.000 . 6.200 4.152 4.152 4.152 . 0 0 "[ ]" 1
655 1 22 VAL MG2 1 41 THR H 3.300 . 5.000 3.681 3.681 3.681 . 0 0 "[ ]" 1
656 1 29 ARG QG 1 32 CYS H 5.000 . 6.200 2.963 2.963 2.963 . 0 0 "[ ]" 1
657 1 11 PHE QE 1 37 VAL H 5.000 . 7.200 3.418 3.418 3.418 . 0 0 "[ ]" 1
658 1 12 VAL H 1 49 GLY QA 5.000 . 5.200 3.575 3.575 3.575 . 0 0 "[ ]" 1
659 1 39 PHE QB 1 47 SER H 5.000 . 5.200 3.601 3.601 3.601 . 0 0 "[ ]" 1
660 1 8 CYS H 1 27 SER QB 5.000 . 6.200 5.268 5.268 5.268 . 0 0 "[ ]" 1
661 1 21 VAL MG1 1 41 THR H 5.000 . 6.700 5.018 5.018 5.018 . 0 0 "[ ]" 1
662 1 12 VAL QG 1 50 ASP H 5.000 . 7.700 2.742 2.742 2.742 . 0 0 "[ ]" 1
663 1 52 LYS H 1 52 LYS QG 2.700 . 3.900 2.289 2.289 2.289 . 0 0 "[ ]" 1
664 1 52 LYS QG 1 53 GLN H 5.000 . 6.200 4.157 4.157 4.157 . 0 0 "[ ]" 1
665 1 29 ARG H 1 35 ALA MB 5.000 . 6.700 3.449 3.449 3.449 . 0 0 "[ ]" 1
666 1 29 ARG QB 1 31 THR H 5.000 . 6.200 3.972 3.972 3.972 . 0 0 "[ ]" 1
667 1 29 ARG QG 1 31 THR H 5.000 . 6.200 2.136 2.136 2.136 . 0 0 "[ ]" 1
668 1 29 ARG QB 1 32 CYS H 5.000 . 6.200 3.160 3.160 3.160 . 0 0 "[ ]" 1
669 1 38 ILE MG 1 48 CYS H 5.000 . 6.700 4.603 4.603 4.603 . 0 0 "[ ]" 1
670 1 11 PHE H 1 11 PHE QD 5.000 . 7.200 3.935 3.935 3.935 . 0 0 "[ ]" 1
671 1 11 PHE QD 1 12 VAL H 3.300 . 5.500 2.234 2.234 2.234 . 0 0 "[ ]" 1
672 1 34 LYS H 1 34 LYS QB 2.700 . 3.900 2.404 2.404 2.404 . 0 0 "[ ]" 1
673 1 33 LEU QD 1 34 LYS H 5.000 . 7.700 4.193 4.193 4.193 . 0 0 "[ ]" 1
674 1 24 TYR H 1 63 LEU MD1 3.300 . 5.000 2.518 2.518 2.518 . 0 0 "[ ]" 1
675 1 18 GLU H 1 21 VAL MG2 3.300 . 5.000 3.914 3.914 3.914 . 0 0 "[ ]" 1
676 1 37 VAL H 1 51 PRO HA 5.000 . 5.200 4.832 4.832 4.832 . 0 0 "[ ]" 1
677 1 41 THR H 1 46 GLN QB 5.000 . 6.200 5.003 5.003 5.003 . 0 0 "[ ]" 1
678 1 26 LEU MD2 1 38 ILE H 3.300 . 5.000 3.852 3.852 3.852 . 0 0 "[ ]" 1
679 1 15 ARG HA 1 55 TRP HE1 3.300 . 3.500 2.652 2.652 2.652 . 0 0 "[ ]" 1
680 1 15 ARG QB 1 55 TRP HE1 3.300 . 4.500 3.142 3.142 3.142 . 0 0 "[ ]" 1
681 1 53 GLN QB 1 55 TRP HE1 3.300 . 4.500 2.321 2.321 2.321 . 0 0 "[ ]" 1
682 1 53 GLN QG 1 55 TRP HE1 3.300 . 4.500 2.319 2.319 2.319 . 0 0 "[ ]" 1
683 1 10 PHE H 1 10 PHE HB3 3.300 . 3.500 3.132 3.132 3.132 . 0 0 "[ ]" 1
684 1 20 ARG H 1 20 ARG HB3 3.300 . 3.500 3.610 3.610 3.610 0.110 1 0 "[ ]" 1
685 1 20 ARG H 1 20 ARG HB2 2.700 . 2.900 2.345 2.345 2.345 . 0 0 "[ ]" 1
686 1 20 ARG HB2 1 21 VAL H 3.300 . 3.500 2.678 2.678 2.678 . 0 0 "[ ]" 1
687 1 24 TYR H 1 24 TYR HB2 3.300 . 3.500 3.612 3.612 3.612 0.112 1 0 "[ ]" 1
688 1 55 TRP H 1 55 TRP HB3 2.700 . 2.900 2.524 2.524 2.524 . 0 0 "[ ]" 1
689 1 55 TRP H 1 55 TRP HB2 3.300 . 3.500 3.578 3.578 3.578 0.078 1 0 "[ ]" 1
690 1 60 MET H 1 60 MET HB3 3.300 . 3.500 3.476 3.476 3.476 . 0 0 "[ ]" 1
691 1 63 LEU HB3 1 64 ASP H 3.300 . 3.500 3.505 3.505 3.505 0.005 1 0 "[ ]" 1
692 1 63 LEU HB2 1 64 ASP H 3.300 . 3.500 2.946 2.946 2.946 . 0 0 "[ ]" 1
693 1 63 LEU H 1 63 LEU HB3 3.300 . 3.500 3.418 3.418 3.418 . 0 0 "[ ]" 1
694 1 63 LEU H 1 63 LEU HB2 3.300 . 3.500 2.042 2.042 2.042 . 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 24
_Distance_constraint_stats_list.Viol_count 6
_Distance_constraint_stats_list.Viol_total 0.107
_Distance_constraint_stats_list.Viol_max 0.036
_Distance_constraint_stats_list.Viol_rms 0.0098
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.0178
_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 VAL 0.007 0.007 1 0 "[ ]"
1 22 VAL 0.000 0.000 . 0 "[ ]"
1 25 GLN 0.030 0.030 1 0 "[ ]"
1 37 VAL 0.000 0.000 . 0 "[ ]"
1 38 ILE 0.030 0.030 1 0 "[ ]"
1 39 PHE 0.000 0.000 . 0 "[ ]"
1 40 THR 0.000 0.000 . 0 "[ ]"
1 47 SER 0.000 0.000 . 0 "[ ]"
1 48 CYS 0.007 0.007 1 0 "[ ]"
1 49 GLY 0.000 0.000 . 0 "[ ]"
1 50 ASP 0.014 0.014 1 0 "[ ]"
1 53 GLN 0.014 0.014 1 0 "[ ]"
1 54 GLU 0.000 0.000 . 0 "[ ]"
1 55 TRP 0.000 0.000 . 0 "[ ]"
1 56 VAL 0.036 0.036 1 0 "[ ]"
1 57 GLN 0.000 0.000 . 0 "[ ]"
1 58 ARG 0.000 0.000 . 0 "[ ]"
1 59 TYR 0.014 0.014 1 0 "[ ]"
1 60 MET 0.043 0.036 1 0 "[ ]"
1 61 LYS 0.000 0.000 . 0 "[ ]"
1 63 LEU 0.014 0.014 1 0 "[ ]"
1 64 ASP 0.007 0.007 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 22 VAL H 1 40 THR O 2.300 . 2.300 2.029 2.029 2.029 . 0 0 "[ ]" 2
2 1 39 PHE H 1 47 SER O 2.300 . 2.300 1.717 1.717 1.717 . 0 0 "[ ]" 2
3 1 50 ASP O 1 53 GLN H 2.300 . 2.300 2.314 2.314 2.314 0.014 1 0 "[ ]" 2
4 1 55 TRP O 1 59 TYR H 2.300 . 2.300 1.921 1.921 1.921 . 0 0 "[ ]" 2
5 1 56 VAL O 1 60 MET H 2.300 . 2.300 1.664 1.664 1.664 0.036 1 0 "[ ]" 2
6 1 59 TYR O 1 63 LEU H 2.300 . 2.300 1.686 1.686 1.686 0.014 1 0 "[ ]" 2
7 1 60 MET O 1 64 ASP H 2.300 . 2.300 2.307 2.307 2.307 0.007 1 0 "[ ]" 2
8 1 25 GLN O 1 38 ILE H 2.300 . 2.300 2.330 2.330 2.330 0.030 1 0 "[ ]" 2
9 1 12 VAL H 1 48 CYS O 2.300 . 2.300 2.307 2.307 2.307 0.007 1 0 "[ ]" 2
10 1 37 VAL H 1 49 GLY O 2.300 . 2.300 1.782 1.782 1.782 . 0 0 "[ ]" 2
11 1 54 GLU O 1 58 ARG H 2.300 . 2.300 1.758 1.758 1.758 . 0 0 "[ ]" 2
12 1 57 GLN O 1 61 LYS H 2.300 . 2.300 1.773 1.773 1.773 . 0 0 "[ ]" 2
13 1 22 VAL N 1 40 THR O 3.300 2.400 3.300 2.851 2.851 2.851 . 0 0 "[ ]" 2
14 1 39 PHE N 1 47 SER O 3.300 2.400 3.300 2.593 2.593 2.593 . 0 0 "[ ]" 2
15 1 50 ASP O 1 53 GLN N 3.300 2.400 3.300 3.213 3.213 3.213 . 0 0 "[ ]" 2
16 1 55 TRP O 1 59 TYR N 3.300 2.400 3.300 2.866 2.866 2.866 . 0 0 "[ ]" 2
17 1 56 VAL O 1 60 MET N 3.300 2.400 3.300 2.585 2.585 2.585 . 0 0 "[ ]" 2
18 1 59 TYR O 1 63 LEU N 3.300 2.400 3.300 2.608 2.608 2.608 . 0 0 "[ ]" 2
19 1 60 MET O 1 64 ASP N 3.300 2.400 3.300 3.070 3.070 3.070 . 0 0 "[ ]" 2
20 1 25 GLN O 1 38 ILE N 3.300 2.400 3.300 3.173 3.173 3.173 . 0 0 "[ ]" 2
21 1 12 VAL N 1 48 CYS O 3.300 2.400 3.300 3.211 3.211 3.211 . 0 0 "[ ]" 2
22 1 37 VAL N 1 49 GLY O 3.300 2.400 3.300 2.638 2.638 2.638 . 0 0 "[ ]" 2
23 1 54 GLU O 1 58 ARG N 3.300 2.400 3.300 2.632 2.632 2.632 . 0 0 "[ ]" 2
24 1 57 GLN O 1 61 LYS N 3.300 2.400 3.300 2.512 2.512 2.512 . 0 0 "[ ]" 2
stop_
save_
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