NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
384945 |
1ksm   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ksm
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 21
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
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 58 ASP 0.000 0.000 . 0 "[ ]"
1 59 LYS 0.000 0.000 . 0 "[ ]"
1 60 ASN 0.000 0.000 . 0 "[ ]"
1 61 GLY 0.000 0.000 . 0 "[ ]"
1 62 ASP 0.000 0.000 . 0 "[ ]"
1 63 GLY 0.000 0.000 . 0 "[ ]"
1 64 GLU 0.000 0.000 . 0 "[ ]"
1 65 VAL 0.000 0.000 . 0 "[ ]"
1 66 SER 0.000 0.000 . 0 "[ ]"
1 69 GLU 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 58 ASP HA 1 59 LYS H . . 3.500 2.295 2.295 2.295 . 0 0 "[ ]" 1
2 1 58 ASP HA 1 65 VAL MG2 . . 6.000 3.645 3.645 3.645 . 0 0 "[ ]" 1
3 1 60 ASN HA 1 60 ASN HD22 . . 5.000 4.744 4.744 4.744 . 0 0 "[ ]" 1
4 1 62 ASP H 1 63 GLY H . . 3.200 1.882 1.882 1.882 . 0 0 "[ ]" 1
5 1 61 GLY H 1 62 ASP H . . 4.000 2.130 2.130 2.130 . 0 0 "[ ]" 1
6 1 62 ASP H 1 62 ASP HB2 . . 4.000 2.936 2.936 2.936 . 0 0 "[ ]" 1
7 1 63 GLY H 1 63 GLY HA3 . . 3.100 2.935 2.935 2.935 . 0 0 "[ ]" 1
8 1 61 GLY H 1 63 GLY H . . 5.100 3.639 3.639 3.639 . 0 0 "[ ]" 1
9 1 63 GLY H 1 64 GLU H . . 4.000 2.572 2.572 2.572 . 0 0 "[ ]" 1
10 1 63 GLY HA2 1 64 GLU H . . 6.000 3.482 3.482 3.482 . 0 0 "[ ]" 1
11 1 63 GLY HA3 1 64 GLU H . . 4.000 3.200 3.200 3.200 . 0 0 "[ ]" 1
12 1 64 GLU H 1 64 GLU HB2 . . 4.000 2.653 2.653 2.653 . 0 0 "[ ]" 1
13 1 64 GLU H 1 64 GLU HB3 . . 4.000 3.672 3.672 3.672 . 0 0 "[ ]" 1
14 1 64 GLU H 1 65 VAL H . . 6.000 4.486 4.486 4.486 . 0 0 "[ ]" 1
15 1 65 VAL H 1 65 VAL HA . . 3.000 2.915 2.915 2.915 . 0 0 "[ ]" 1
16 1 65 VAL HA 1 65 VAL MG1 . . 3.700 2.480 2.480 2.480 . 0 0 "[ ]" 1
17 1 65 VAL HA 1 66 SER H . . 4.900 2.641 2.641 2.641 . 0 0 "[ ]" 1
18 1 65 VAL HA 1 69 GLU HB2 . . 5.000 2.707 2.707 2.707 . 0 0 "[ ]" 1
19 1 65 VAL HA 1 69 GLU HB3 . . 5.000 3.824 3.824 3.824 . 0 0 "[ ]" 1
20 1 66 SER HG 1 69 GLU HG2 . . 5.000 4.748 4.748 4.748 . 0 0 "[ ]" 1
21 1 66 SER HG 1 69 GLU HG3 . . 5.000 3.421 3.421 3.421 . 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 1622
_Distance_constraint_stats_list.Viol_count 62
_Distance_constraint_stats_list.Viol_total 5.686
_Distance_constraint_stats_list.Viol_max 0.446
_Distance_constraint_stats_list.Viol_rms 0.0253
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0035
_Distance_constraint_stats_list.Viol_average_violations_only 0.0917
_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 5 LYS 0.000 0.000 . 0 "[ ]"
1 6 SER 0.000 0.000 . 0 "[ ]"
1 7 PRO 0.000 0.000 . 0 "[ ]"
1 8 GLU 0.274 0.274 1 0 "[ ]"
1 9 GLU 0.000 0.000 . 0 "[ ]"
1 10 LEU 0.000 0.000 . 0 "[ ]"
1 11 LYS 0.274 0.274 1 0 "[ ]"
1 12 GLY 0.446 0.446 1 0 "[ ]"
1 13 ILE 0.291 0.291 1 0 "[ ]"
1 14 PHE 0.052 0.047 1 0 "[ ]"
1 15 GLU 0.446 0.446 1 0 "[ ]"
1 16 LYS 0.178 0.178 1 0 "[ ]"
1 17 TYR 0.005 0.005 1 0 "[ ]"
1 18 ALA 0.128 0.128 1 0 "[ ]"
1 19 ALA 0.000 0.000 . 0 "[ ]"
1 20 LYS 0.448 0.138 1 0 "[ ]"
1 21 GLU 0.252 0.076 1 0 "[ ]"
1 22 GLY 0.059 0.059 1 0 "[ ]"
1 23 ASP 0.000 0.000 . 0 "[ ]"
1 24 PRO 0.056 0.056 1 0 "[ ]"
1 25 ASN 0.000 0.000 . 0 "[ ]"
1 26 GLN 0.032 0.032 1 0 "[ ]"
1 27 LEU 0.032 0.032 1 0 "[ ]"
1 28 SER 0.161 0.128 1 0 "[ ]"
1 29 LYS 0.000 0.000 . 0 "[ ]"
1 30 GLU 0.048 0.026 1 0 "[ ]"
1 31 GLU 0.390 0.203 1 0 "[ ]"
1 32 LEU 0.012 0.012 1 0 "[ ]"
1 33 LYS 0.229 0.166 1 0 "[ ]"
1 34 LEU 0.291 0.166 1 0 "[ ]"
1 35 LEU 0.375 0.126 1 0 "[ ]"
1 36 LEU 0.195 0.126 1 0 "[ ]"
1 37 GLN 0.114 0.057 1 0 "[ ]"
1 38 THR 0.046 0.046 1 0 "[ ]"
1 39 GLU 0.949 0.291 1 0 "[ ]"
1 40 PHE 0.364 0.229 1 0 "[ ]"
1 41 PRO 0.320 0.229 1 0 "[ ]"
1 42 SER 0.000 0.000 . 0 "[ ]"
1 43 LEU 0.054 0.031 1 0 "[ ]"
1 44 LEU 0.036 0.031 1 0 "[ ]"
1 45 LYS 0.381 0.377 1 0 "[ ]"
1 46 GLY 0.377 0.377 1 0 "[ ]"
1 47 MET 0.119 0.112 1 0 "[ ]"
1 48 SER 0.320 0.202 1 0 "[ ]"
1 49 THR 0.233 0.202 1 0 "[ ]"
1 50 LEU 0.090 0.058 1 0 "[ ]"
1 51 ASP 0.000 0.000 . 0 "[ ]"
1 52 GLU 0.151 0.118 1 0 "[ ]"
1 53 LEU 0.153 0.064 1 0 "[ ]"
1 54 PHE 0.089 0.046 1 0 "[ ]"
1 55 GLU 0.064 0.064 1 0 "[ ]"
1 56 GLU 0.000 0.000 . 0 "[ ]"
1 57 LEU 0.034 0.034 1 0 "[ ]"
1 58 ASP 0.000 0.000 . 0 "[ ]"
1 60 ASN 0.063 0.063 1 0 "[ ]"
1 61 GLY 0.000 0.000 . 0 "[ ]"
1 62 ASP 0.000 0.000 . 0 "[ ]"
1 63 GLY 0.000 0.000 . 0 "[ ]"
1 64 GLU 0.000 0.000 . 0 "[ ]"
1 65 VAL 0.033 0.033 1 0 "[ ]"
1 66 SER 0.000 0.000 . 0 "[ ]"
1 67 PHE 0.000 0.000 . 0 "[ ]"
1 68 GLU 0.000 0.000 . 0 "[ ]"
1 69 GLU 0.102 0.051 1 0 "[ ]"
1 70 PHE 0.020 0.020 1 0 "[ ]"
1 71 GLN 0.000 0.000 . 0 "[ ]"
1 72 VAL 0.000 0.000 . 0 "[ ]"
1 73 LEU 0.192 0.192 1 0 "[ ]"
1 74 VAL 0.192 0.192 1 0 "[ ]"
1 75 LYS 0.030 0.030 1 0 "[ ]"
1 76 LYS 0.038 0.030 1 0 "[ ]"
1 77 ILE 0.000 0.000 . 0 "[ ]"
1 78 SER 0.000 0.000 . 0 "[ ]"
1 79 GLN 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 5 LYS H 1 6 SER H . . 7.000 3.064 3.064 3.064 . 0 0 "[ ]" 2
2 1 5 LYS QD 1 6 SER H . . 8.000 2.559 2.559 2.559 . 0 0 "[ ]" 2
3 1 6 SER H 1 6 SER HB2 . . 3.200 2.065 2.065 2.065 . 0 0 "[ ]" 2
4 1 6 SER H 1 6 SER HB3 . . 3.700 3.300 3.300 3.300 . 0 0 "[ ]" 2
5 1 6 SER H 1 7 PRO QD . . 8.000 4.316 4.316 4.316 . 0 0 "[ ]" 2
6 1 6 SER H 1 8 GLU H . . 7.000 5.625 5.625 5.625 . 0 0 "[ ]" 2
7 1 6 SER H 1 9 GLU H . . 5.200 4.256 4.256 4.256 . 0 0 "[ ]" 2
8 1 6 SER H 1 9 GLU HA . . 7.000 5.856 5.856 5.856 . 0 0 "[ ]" 2
9 1 6 SER H 1 9 GLU HB3 . . 4.800 4.007 4.007 4.007 . 0 0 "[ ]" 2
10 1 6 SER H 1 9 GLU HB2 . . 4.200 2.905 2.905 2.905 . 0 0 "[ ]" 2
11 1 6 SER H 1 9 GLU HG2 . . 7.000 5.401 5.401 5.401 . 0 0 "[ ]" 2
12 1 6 SER H 1 9 GLU HG3 . . 4.600 4.037 4.037 4.037 . 0 0 "[ ]" 2
13 1 6 SER H 1 10 LEU H . . 7.000 5.156 5.156 5.156 . 0 0 "[ ]" 2
14 1 6 SER HA 1 7 PRO QD . . 5.000 2.076 2.076 2.076 . 0 0 "[ ]" 2
15 1 6 SER HA 1 8 GLU H . . 5.300 4.524 4.524 4.524 . 0 0 "[ ]" 2
16 1 6 SER HB2 1 8 GLU H . . 6.600 4.422 4.422 4.422 . 0 0 "[ ]" 2
17 1 6 SER HB2 1 9 GLU H . . 6.800 3.403 3.403 3.403 . 0 0 "[ ]" 2
18 1 6 SER HB3 1 7 PRO QD . . 5.400 2.208 2.208 2.208 . 0 0 "[ ]" 2
19 1 6 SER HB3 1 8 GLU H . . 5.100 2.709 2.709 2.709 . 0 0 "[ ]" 2
20 1 6 SER HB3 1 9 GLU H . . 6.800 2.545 2.545 2.545 . 0 0 "[ ]" 2
21 1 7 PRO HA 1 7 PRO HB3 . . 2.800 2.303 2.303 2.303 . 0 0 "[ ]" 2
22 1 7 PRO HA 1 7 PRO HG2 . . 4.200 3.972 3.972 3.972 . 0 0 "[ ]" 2
23 1 7 PRO HA 1 7 PRO HG3 . . 4.400 3.880 3.880 3.880 . 0 0 "[ ]" 2
24 1 7 PRO HA 1 8 GLU H . . 4.000 3.514 3.514 3.514 . 0 0 "[ ]" 2
25 1 7 PRO HA 1 9 GLU H . . 6.100 4.060 4.060 4.060 . 0 0 "[ ]" 2
26 1 7 PRO HA 1 10 LEU H . . 4.900 3.164 3.164 3.164 . 0 0 "[ ]" 2
27 1 7 PRO HA 1 10 LEU HB2 . . 4.300 2.692 2.692 2.692 . 0 0 "[ ]" 2
28 1 7 PRO HA 1 10 LEU MD1 . . 7.000 2.196 2.196 2.196 . 0 0 "[ ]" 2
29 1 7 PRO HA 1 10 LEU MD2 . . 8.000 4.561 4.561 4.561 . 0 0 "[ ]" 2
30 1 7 PRO HA 1 11 LYS H . . 5.100 4.571 4.571 4.571 . 0 0 "[ ]" 2
31 1 7 PRO HB2 1 7 PRO HG3 . . 3.100 2.802 2.802 2.802 . 0 0 "[ ]" 2
32 1 7 PRO HB2 1 8 GLU H . . 3.500 3.147 3.147 3.147 . 0 0 "[ ]" 2
33 1 7 PRO HB2 1 10 LEU HB2 . . 7.000 4.570 4.570 4.570 . 0 0 "[ ]" 2
34 1 7 PRO HB2 1 10 LEU HB3 . . 6.800 6.134 6.134 6.134 . 0 0 "[ ]" 2
35 1 7 PRO HB2 1 10 LEU MD1 . . 7.700 4.334 4.334 4.334 . 0 0 "[ ]" 2
36 1 7 PRO HB2 1 10 LEU MD2 . . 8.000 6.640 6.640 6.640 . 0 0 "[ ]" 2
37 1 7 PRO HB3 1 8 GLU H . . 4.400 4.134 4.134 4.134 . 0 0 "[ ]" 2
38 1 7 PRO HB3 1 10 LEU HB3 . . 7.000 6.025 6.025 6.025 . 0 0 "[ ]" 2
39 1 7 PRO HB3 1 10 LEU HG . . 7.000 5.476 5.476 5.476 . 0 0 "[ ]" 2
40 1 7 PRO HG2 1 8 GLU H . . 5.400 2.675 2.675 2.675 . 0 0 "[ ]" 2
41 1 7 PRO HG3 1 8 GLU H . . 6.000 3.978 3.978 3.978 . 0 0 "[ ]" 2
42 1 7 PRO QD 1 8 GLU H . . 6.400 2.262 2.262 2.262 . 0 0 "[ ]" 2
43 1 8 GLU H 1 8 GLU HA . . 3.100 2.755 2.755 2.755 . 0 0 "[ ]" 2
44 1 8 GLU H 1 8 GLU HB2 . . 3.000 2.024 2.024 2.024 . 0 0 "[ ]" 2
45 1 8 GLU H 1 8 GLU HB3 . . 3.300 3.150 3.150 3.150 . 0 0 "[ ]" 2
46 1 8 GLU H 1 8 GLU HG2 . . 3.900 3.790 3.790 3.790 . 0 0 "[ ]" 2
47 1 8 GLU H 1 8 GLU HG3 . . 4.200 3.988 3.988 3.988 . 0 0 "[ ]" 2
48 1 8 GLU H 1 9 GLU H . . 3.200 2.689 2.689 2.689 . 0 0 "[ ]" 2
49 1 8 GLU H 1 10 LEU H . . 5.400 4.082 4.082 4.082 . 0 0 "[ ]" 2
50 1 8 GLU H 1 11 LYS H . . 7.000 5.027 5.027 5.027 . 0 0 "[ ]" 2
51 1 8 GLU HA 1 8 GLU HB2 . . 3.100 2.823 2.823 2.823 . 0 0 "[ ]" 2
52 1 8 GLU HA 1 8 GLU HG2 . . 3.100 2.000 2.000 2.000 . 0 0 "[ ]" 2
53 1 8 GLU HA 1 8 GLU HG3 . . 3.600 3.338 3.338 3.338 . 0 0 "[ ]" 2
54 1 8 GLU HA 1 9 GLU H . . 3.700 3.568 3.568 3.568 . 0 0 "[ ]" 2
55 1 8 GLU HA 1 10 LEU H . . 6.700 4.126 4.126 4.126 . 0 0 "[ ]" 2
56 1 8 GLU HA 1 11 LYS H . . 3.900 3.428 3.428 3.428 . 0 0 "[ ]" 2
57 1 8 GLU HA 1 11 LYS HB2 . . 3.500 3.285 3.285 3.285 . 0 0 "[ ]" 2
58 1 8 GLU HA 1 11 LYS HB3 . . 3.900 3.815 3.815 3.815 . 0 0 "[ ]" 2
59 1 8 GLU HA 1 11 LYS HG3 . . 5.300 5.574 5.574 5.574 0.274 1 0 "[ ]" 2
60 1 8 GLU HA 1 11 LYS QD . . 7.700 4.324 4.324 4.324 . 0 0 "[ ]" 2
61 1 8 GLU HA 1 12 GLY H . . 4.600 4.264 4.264 4.264 . 0 0 "[ ]" 2
62 1 8 GLU HB2 1 9 GLU H . . 3.800 3.443 3.443 3.443 . 0 0 "[ ]" 2
63 1 8 GLU HB3 1 9 GLU H . . 3.500 3.105 3.105 3.105 . 0 0 "[ ]" 2
64 1 9 GLU H 1 9 GLU HB3 . . 3.400 3.381 3.381 3.381 . 0 0 "[ ]" 2
65 1 9 GLU H 1 9 GLU HB2 . . 3.000 2.086 2.086 2.086 . 0 0 "[ ]" 2
66 1 9 GLU H 1 9 GLU HG2 . . 3.900 3.694 3.694 3.694 . 0 0 "[ ]" 2
67 1 9 GLU H 1 9 GLU HG3 . . 3.700 3.273 3.273 3.273 . 0 0 "[ ]" 2
68 1 9 GLU H 1 10 LEU H . . 3.100 2.540 2.540 2.540 . 0 0 "[ ]" 2
69 1 9 GLU H 1 11 LYS H . . 4.300 4.229 4.229 4.229 . 0 0 "[ ]" 2
70 1 9 GLU H 1 12 GLY H . . 5.400 4.759 4.759 4.759 . 0 0 "[ ]" 2
71 1 9 GLU HA 1 9 GLU HG2 . . 4.300 2.013 2.013 2.013 . 0 0 "[ ]" 2
72 1 9 GLU HA 1 9 GLU HG3 . . 3.300 3.106 3.106 3.106 . 0 0 "[ ]" 2
73 1 9 GLU HA 1 10 LEU H . . 4.100 3.557 3.557 3.557 . 0 0 "[ ]" 2
74 1 9 GLU HA 1 12 GLY H . . 4.700 3.243 3.243 3.243 . 0 0 "[ ]" 2
75 1 9 GLU HA 1 12 GLY HA3 . . 5.900 3.521 3.521 3.521 . 0 0 "[ ]" 2
76 1 9 GLU HA 1 13 ILE H . . 7.000 3.464 3.464 3.464 . 0 0 "[ ]" 2
77 1 9 GLU HB3 1 10 LEU H . . 4.000 3.474 3.474 3.474 . 0 0 "[ ]" 2
78 1 9 GLU HB3 1 11 LYS H . . 7.000 5.474 5.474 5.474 . 0 0 "[ ]" 2
79 1 9 GLU HB2 1 10 LEU H . . 3.600 3.162 3.162 3.162 . 0 0 "[ ]" 2
80 1 9 GLU HB2 1 10 LEU HB2 . . 6.600 5.260 5.260 5.260 . 0 0 "[ ]" 2
81 1 9 GLU HG2 1 10 LEU H . . 6.900 5.036 5.036 5.036 . 0 0 "[ ]" 2
82 1 9 GLU HG3 1 10 LEU H . . 5.200 5.125 5.125 5.125 . 0 0 "[ ]" 2
83 1 10 LEU H 1 10 LEU HB2 . . 3.000 2.229 2.229 2.229 . 0 0 "[ ]" 2
84 1 10 LEU H 1 10 LEU HB3 . . 3.600 3.488 3.488 3.488 . 0 0 "[ ]" 2
85 1 10 LEU H 1 10 LEU HG . . 3.100 2.615 2.615 2.615 . 0 0 "[ ]" 2
86 1 10 LEU H 1 10 LEU MD1 . . 5.100 3.527 3.527 3.527 . 0 0 "[ ]" 2
87 1 10 LEU H 1 10 LEU MD2 . . 4.900 3.756 3.756 3.756 . 0 0 "[ ]" 2
88 1 10 LEU H 1 11 LYS H . . 3.000 2.674 2.674 2.674 . 0 0 "[ ]" 2
89 1 10 LEU H 1 12 GLY H . . 5.000 4.174 4.174 4.174 . 0 0 "[ ]" 2
90 1 10 LEU H 1 13 ILE H . . 6.000 4.799 4.799 4.799 . 0 0 "[ ]" 2
91 1 10 LEU H 1 13 ILE HB . . 6.200 5.024 5.024 5.024 . 0 0 "[ ]" 2
92 1 10 LEU HA 1 10 LEU HG . . 4.000 2.766 2.766 2.766 . 0 0 "[ ]" 2
93 1 10 LEU HA 1 10 LEU MD1 . . 4.600 3.843 3.843 3.843 . 0 0 "[ ]" 2
94 1 10 LEU HA 1 10 LEU MD2 . . 3.400 1.978 1.978 1.978 . 0 0 "[ ]" 2
95 1 10 LEU HA 1 11 LYS H . . 4.000 3.606 3.606 3.606 . 0 0 "[ ]" 2
96 1 10 LEU HA 1 11 LYS HA . . 5.700 4.744 4.744 4.744 . 0 0 "[ ]" 2
97 1 10 LEU HA 1 12 GLY H . . 5.400 4.702 4.702 4.702 . 0 0 "[ ]" 2
98 1 10 LEU HA 1 13 ILE H . . 4.000 3.925 3.925 3.925 . 0 0 "[ ]" 2
99 1 10 LEU HA 1 13 ILE HB . . 3.900 3.036 3.036 3.036 . 0 0 "[ ]" 2
100 1 10 LEU HA 1 13 ILE MG . . 8.000 4.006 4.006 4.006 . 0 0 "[ ]" 2
101 1 10 LEU HA 1 13 ILE HG13 . . 7.000 4.711 4.711 4.711 . 0 0 "[ ]" 2
102 1 10 LEU HA 1 70 PHE QE . . 9.000 5.401 5.401 5.401 . 0 0 "[ ]" 2
103 1 10 LEU HB2 1 10 LEU HG . . 3.100 2.537 2.537 2.537 . 0 0 "[ ]" 2
104 1 10 LEU HB2 1 11 LYS H . . 3.500 2.783 2.783 2.783 . 0 0 "[ ]" 2
105 1 10 LEU HB2 1 11 LYS HB3 . . 6.200 5.591 5.591 5.591 . 0 0 "[ ]" 2
106 1 10 LEU HB2 1 70 PHE QE . . 9.000 5.569 5.569 5.569 . 0 0 "[ ]" 2
107 1 10 LEU HB3 1 10 LEU MD1 . . 3.400 2.420 2.420 2.420 . 0 0 "[ ]" 2
108 1 10 LEU HB3 1 10 LEU MD2 . . 3.600 2.363 2.363 2.363 . 0 0 "[ ]" 2
109 1 10 LEU HB3 1 11 LYS H . . 3.900 3.512 3.512 3.512 . 0 0 "[ ]" 2
110 1 10 LEU HB3 1 12 GLY H . . 7.000 5.706 5.706 5.706 . 0 0 "[ ]" 2
111 1 10 LEU HB3 1 70 PHE QE . . 7.600 4.108 4.108 4.108 . 0 0 "[ ]" 2
112 1 10 LEU HB3 1 74 VAL MG1 . . 7.800 6.326 6.326 6.326 . 0 0 "[ ]" 2
113 1 10 LEU HG 1 70 PHE QE . . 9.000 5.532 5.532 5.532 . 0 0 "[ ]" 2
114 1 10 LEU MD1 1 11 LYS H . . 8.000 4.621 4.621 4.621 . 0 0 "[ ]" 2
115 1 10 LEU MD1 1 40 PHE QD . . 9.800 6.116 6.116 6.116 . 0 0 "[ ]" 2
116 1 10 LEU MD1 1 40 PHE QE . . 8.600 4.365 4.365 4.365 . 0 0 "[ ]" 2
117 1 10 LEU MD1 1 70 PHE QD . . 10.000 4.722 4.722 4.722 . 0 0 "[ ]" 2
118 1 10 LEU MD1 1 70 PHE QE . . 10.000 3.711 3.711 3.711 . 0 0 "[ ]" 2
119 1 10 LEU MD1 1 77 ILE MD . . 9.000 5.041 5.041 5.041 . 0 0 "[ ]" 2
120 1 10 LEU MD2 1 11 LYS H . . 8.000 4.795 4.795 4.795 . 0 0 "[ ]" 2
121 1 10 LEU MD2 1 40 PHE QD . . 10.000 4.611 4.611 4.611 . 0 0 "[ ]" 2
122 1 10 LEU MD2 1 40 PHE QE . . 9.400 3.210 3.210 3.210 . 0 0 "[ ]" 2
123 1 10 LEU MD2 1 70 PHE QE . . 10.000 2.623 2.623 2.623 . 0 0 "[ ]" 2
124 1 10 LEU MD2 1 77 ILE MD . . 9.000 4.405 4.405 4.405 . 0 0 "[ ]" 2
125 1 11 LYS H 1 11 LYS HB2 . . 2.800 2.110 2.110 2.110 . 0 0 "[ ]" 2
126 1 11 LYS H 1 11 LYS HB3 . . 3.000 2.932 2.932 2.932 . 0 0 "[ ]" 2
127 1 11 LYS H 1 11 LYS HG2 . . 4.500 4.391 4.391 4.391 . 0 0 "[ ]" 2
128 1 11 LYS H 1 11 LYS HG3 . . 5.200 4.003 4.003 4.003 . 0 0 "[ ]" 2
129 1 11 LYS H 1 11 LYS QD . . 6.000 4.397 4.397 4.397 . 0 0 "[ ]" 2
130 1 11 LYS H 1 12 GLY H . . 3.100 2.649 2.649 2.649 . 0 0 "[ ]" 2
131 1 11 LYS H 1 13 ILE H . . 4.600 4.491 4.491 4.491 . 0 0 "[ ]" 2
132 1 11 LYS H 1 67 PHE QE . . 8.900 4.632 4.632 4.632 . 0 0 "[ ]" 2
133 1 11 LYS HA 1 11 LYS HB2 . . 2.900 2.717 2.717 2.717 . 0 0 "[ ]" 2
134 1 11 LYS HA 1 11 LYS HG2 . . 3.700 2.372 2.372 2.372 . 0 0 "[ ]" 2
135 1 11 LYS HA 1 11 LYS HG3 . . 4.500 2.542 2.542 2.542 . 0 0 "[ ]" 2
136 1 11 LYS HA 1 12 GLY H . . 3.700 3.622 3.622 3.622 . 0 0 "[ ]" 2
137 1 11 LYS HA 1 14 PHE H . . 4.400 3.659 3.659 3.659 . 0 0 "[ ]" 2
138 1 11 LYS HA 1 14 PHE HB3 . . 4.900 2.266 2.266 2.266 . 0 0 "[ ]" 2
139 1 11 LYS HA 1 15 GLU H . . 4.900 3.859 3.859 3.859 . 0 0 "[ ]" 2
140 1 11 LYS HA 1 67 PHE QD . . 9.000 4.526 4.526 4.526 . 0 0 "[ ]" 2
141 1 11 LYS HA 1 67 PHE QE . . 7.500 3.940 3.940 3.940 . 0 0 "[ ]" 2
142 1 11 LYS HA 1 67 PHE HZ . . 5.500 4.292 4.292 4.292 . 0 0 "[ ]" 2
143 1 11 LYS HB2 1 11 LYS HG2 . . 3.100 3.041 3.041 3.041 . 0 0 "[ ]" 2
144 1 11 LYS HB2 1 11 LYS HG3 . . 3.100 2.398 2.398 2.398 . 0 0 "[ ]" 2
145 1 11 LYS HB2 1 12 GLY H . . 3.500 3.470 3.470 3.470 . 0 0 "[ ]" 2
146 1 11 LYS HB2 1 67 PHE QE . . 8.100 4.300 4.300 4.300 . 0 0 "[ ]" 2
147 1 11 LYS HB2 1 67 PHE HZ . . 5.200 4.268 4.268 4.268 . 0 0 "[ ]" 2
148 1 11 LYS HB3 1 12 GLY H . . 3.200 2.666 2.666 2.666 . 0 0 "[ ]" 2
149 1 11 LYS HB3 1 67 PHE QE . . 9.000 5.593 5.593 5.593 . 0 0 "[ ]" 2
150 1 11 LYS HG2 1 12 GLY H . . 7.000 4.582 4.582 4.582 . 0 0 "[ ]" 2
151 1 11 LYS HG2 1 12 GLY HA2 . . 5.800 5.024 5.024 5.024 . 0 0 "[ ]" 2
152 1 11 LYS HG2 1 67 PHE QE . . 9.000 4.916 4.916 4.916 . 0 0 "[ ]" 2
153 1 11 LYS HG2 1 67 PHE HZ . . 6.300 5.599 5.599 5.599 . 0 0 "[ ]" 2
154 1 11 LYS HG3 1 12 GLY H . . 6.700 5.149 5.149 5.149 . 0 0 "[ ]" 2
155 1 11 LYS HG3 1 67 PHE QE . . 9.000 3.486 3.486 3.486 . 0 0 "[ ]" 2
156 1 11 LYS QD 1 67 PHE QE . . 10.000 4.274 4.274 4.274 . 0 0 "[ ]" 2
157 1 11 LYS QD 1 67 PHE HZ . . 8.000 5.400 5.400 5.400 . 0 0 "[ ]" 2
158 1 11 LYS HE2 1 67 PHE QD . . 9.000 5.859 5.859 5.859 . 0 0 "[ ]" 2
159 1 11 LYS HE2 1 67 PHE QE . . 9.000 6.218 6.218 6.218 . 0 0 "[ ]" 2
160 1 12 GLY H 1 12 GLY HA2 . . 2.800 2.775 2.775 2.775 . 0 0 "[ ]" 2
161 1 12 GLY H 1 12 GLY HA3 . . 3.000 2.246 2.246 2.246 . 0 0 "[ ]" 2
162 1 12 GLY H 1 13 ILE H . . 3.000 2.978 2.978 2.978 . 0 0 "[ ]" 2
163 1 12 GLY HA2 1 13 ILE H . . 3.700 3.643 3.643 3.643 . 0 0 "[ ]" 2
164 1 12 GLY HA2 1 15 GLU H . . 4.700 3.754 3.754 3.754 . 0 0 "[ ]" 2
165 1 12 GLY HA2 1 15 GLU HB2 . . 4.400 3.300 3.300 3.300 . 0 0 "[ ]" 2
166 1 12 GLY HA2 1 15 GLU HB3 . . 5.300 4.232 4.232 4.232 . 0 0 "[ ]" 2
167 1 12 GLY HA3 1 13 ILE H . . 3.900 2.624 2.624 2.624 . 0 0 "[ ]" 2
168 1 12 GLY HA3 1 15 GLU H . . 4.400 4.846 4.846 4.846 0.446 1 0 "[ ]" 2
169 1 12 GLY HA3 1 15 GLU HB2 . . 5.600 4.906 4.906 4.906 . 0 0 "[ ]" 2
170 1 12 GLY HA3 1 15 GLU HB3 . . 7.000 5.812 5.812 5.812 . 0 0 "[ ]" 2
171 1 12 GLY HA3 1 16 LYS H . . 5.600 4.939 4.939 4.939 . 0 0 "[ ]" 2
172 1 13 ILE H 1 13 ILE HB . . 2.800 2.287 2.287 2.287 . 0 0 "[ ]" 2
173 1 13 ILE H 1 13 ILE MG . . 4.700 3.673 3.673 3.673 . 0 0 "[ ]" 2
174 1 13 ILE H 1 13 ILE HG12 . . 4.200 3.448 3.448 3.448 . 0 0 "[ ]" 2
175 1 13 ILE H 1 13 ILE HG13 . . 3.500 2.273 2.273 2.273 . 0 0 "[ ]" 2
176 1 13 ILE H 1 13 ILE MD . . 4.700 3.646 3.646 3.646 . 0 0 "[ ]" 2
177 1 13 ILE H 1 14 PHE H . . 3.500 2.804 2.804 2.804 . 0 0 "[ ]" 2
178 1 13 ILE H 1 15 GLU H . . 4.800 4.581 4.581 4.581 . 0 0 "[ ]" 2
179 1 13 ILE H 1 16 LYS H . . 6.100 4.593 4.593 4.593 . 0 0 "[ ]" 2
180 1 13 ILE H 1 16 LYS HB2 . . 7.000 4.627 4.627 4.627 . 0 0 "[ ]" 2
181 1 13 ILE H 1 16 LYS HB3 . . 7.000 5.068 5.068 5.068 . 0 0 "[ ]" 2
182 1 13 ILE HA 1 13 ILE HB . . 3.100 3.005 3.005 3.005 . 0 0 "[ ]" 2
183 1 13 ILE HA 1 13 ILE HG12 . . 3.600 2.365 2.365 2.365 . 0 0 "[ ]" 2
184 1 13 ILE HA 1 13 ILE HG13 . . 3.700 2.898 2.898 2.898 . 0 0 "[ ]" 2
185 1 13 ILE HA 1 13 ILE MD . . 4.400 3.745 3.745 3.745 . 0 0 "[ ]" 2
186 1 13 ILE HA 1 14 PHE H . . 4.500 3.613 3.613 3.613 . 0 0 "[ ]" 2
187 1 13 ILE HA 1 16 LYS H . . 5.100 3.268 3.268 3.268 . 0 0 "[ ]" 2
188 1 13 ILE HA 1 16 LYS HB2 . . 4.300 2.626 2.626 2.626 . 0 0 "[ ]" 2
189 1 13 ILE HA 1 16 LYS HB3 . . 3.400 2.459 2.459 2.459 . 0 0 "[ ]" 2
190 1 13 ILE HA 1 16 LYS HG2 . . 7.000 5.034 5.034 5.034 . 0 0 "[ ]" 2
191 1 13 ILE HA 1 16 LYS HG3 . . 7.000 4.282 4.282 4.282 . 0 0 "[ ]" 2
192 1 13 ILE HA 1 16 LYS HD3 . . 7.000 4.703 4.703 4.703 . 0 0 "[ ]" 2
193 1 13 ILE HA 1 17 TYR H . . 5.200 4.398 4.398 4.398 . 0 0 "[ ]" 2
194 1 13 ILE HA 1 17 TYR QD . . 8.200 3.553 3.553 3.553 . 0 0 "[ ]" 2
195 1 13 ILE HA 1 17 TYR QE . . 9.000 4.179 4.179 4.179 . 0 0 "[ ]" 2
196 1 13 ILE HB 1 13 ILE HG13 . . 2.800 2.433 2.433 2.433 . 0 0 "[ ]" 2
197 1 13 ILE HB 1 13 ILE MD . . 3.500 2.405 2.405 2.405 . 0 0 "[ ]" 2
198 1 13 ILE HB 1 14 PHE H . . 3.400 2.726 2.726 2.726 . 0 0 "[ ]" 2
199 1 13 ILE HG12 1 13 ILE MG . . 3.300 2.480 2.480 2.480 . 0 0 "[ ]" 2
200 1 13 ILE MG 1 14 PHE H . . 6.700 3.275 3.275 3.275 . 0 0 "[ ]" 2
201 1 13 ILE MG 1 17 TYR H . . 7.300 4.012 4.012 4.012 . 0 0 "[ ]" 2
202 1 13 ILE MG 1 17 TYR QD . . 7.900 2.547 2.547 2.547 . 0 0 "[ ]" 2
203 1 13 ILE MG 1 17 TYR QE . . 8.300 2.627 2.627 2.627 . 0 0 "[ ]" 2
204 1 13 ILE MG 1 40 PHE QD . . 10.000 6.635 6.635 6.635 . 0 0 "[ ]" 2
205 1 13 ILE MG 1 40 PHE QE . . 10.000 6.667 6.667 6.667 . 0 0 "[ ]" 2
206 1 13 ILE MD 1 14 PHE H . . 8.000 4.703 4.703 4.703 . 0 0 "[ ]" 2
207 1 13 ILE MD 1 17 TYR QE . . 10.000 4.315 4.315 4.315 . 0 0 "[ ]" 2
208 1 13 ILE MD 1 39 GLU HB3 . . 5.800 6.091 6.091 6.091 0.291 1 0 "[ ]" 2
209 1 13 ILE MD 1 40 PHE QD . . 10.000 7.051 7.051 7.051 . 0 0 "[ ]" 2
210 1 13 ILE MD 1 40 PHE QE . . 10.000 6.600 6.600 6.600 . 0 0 "[ ]" 2
211 1 14 PHE H 1 14 PHE HA . . 3.100 2.725 2.725 2.725 . 0 0 "[ ]" 2
212 1 14 PHE H 1 14 PHE HB2 . . 3.000 2.588 2.588 2.588 . 0 0 "[ ]" 2
213 1 14 PHE H 1 14 PHE HB3 . . 3.200 2.148 2.148 2.148 . 0 0 "[ ]" 2
214 1 14 PHE H 1 15 GLU H . . 3.200 2.990 2.990 2.990 . 0 0 "[ ]" 2
215 1 14 PHE H 1 16 LYS H . . 4.500 3.973 3.973 3.973 . 0 0 "[ ]" 2
216 1 14 PHE H 1 35 LEU MD1 . . 8.000 3.554 3.554 3.554 . 0 0 "[ ]" 2
217 1 14 PHE H 1 70 PHE QE . . 9.000 6.282 6.282 6.282 . 0 0 "[ ]" 2
218 1 14 PHE HA 1 14 PHE HB2 . . 2.800 2.408 2.408 2.408 . 0 0 "[ ]" 2
219 1 14 PHE HA 1 14 PHE HB3 . . 3.000 3.047 3.047 3.047 0.047 1 0 "[ ]" 2
220 1 14 PHE HA 1 15 GLU H . . 3.900 3.640 3.640 3.640 . 0 0 "[ ]" 2
221 1 14 PHE HA 1 16 LYS H . . 7.000 4.330 4.330 4.330 . 0 0 "[ ]" 2
222 1 14 PHE HA 1 17 TYR H . . 6.800 3.558 3.558 3.558 . 0 0 "[ ]" 2
223 1 14 PHE HA 1 17 TYR HB2 . . 7.000 2.980 2.980 2.980 . 0 0 "[ ]" 2
224 1 14 PHE HA 1 17 TYR HB3 . . 4.500 4.505 4.505 4.505 0.005 1 0 "[ ]" 2
225 1 14 PHE HA 1 18 ALA H . . 7.000 4.029 4.029 4.029 . 0 0 "[ ]" 2
226 1 14 PHE HA 1 18 ALA MB . . 6.100 4.203 4.203 4.203 . 0 0 "[ ]" 2
227 1 14 PHE HA 1 27 LEU MD1 . . 8.000 3.935 3.935 3.935 . 0 0 "[ ]" 2
228 1 14 PHE HA 1 27 LEU MD2 . . 8.000 4.822 4.822 4.822 . 0 0 "[ ]" 2
229 1 14 PHE HA 1 35 LEU MD1 . . 5.700 1.966 1.966 1.966 . 0 0 "[ ]" 2
230 1 14 PHE HA 1 35 LEU MD2 . . 7.400 3.663 3.663 3.663 . 0 0 "[ ]" 2
231 1 14 PHE HA 1 70 PHE QE . . 9.000 4.966 4.966 4.966 . 0 0 "[ ]" 2
232 1 14 PHE HB2 1 15 GLU H . . 4.100 3.801 3.801 3.801 . 0 0 "[ ]" 2
233 1 14 PHE HB2 1 67 PHE QD . . 8.500 3.826 3.826 3.826 . 0 0 "[ ]" 2
234 1 14 PHE HB2 1 67 PHE QE . . 8.400 3.581 3.581 3.581 . 0 0 "[ ]" 2
235 1 14 PHE HB2 1 70 PHE QD . . 7.600 5.130 5.130 5.130 . 0 0 "[ ]" 2
236 1 14 PHE HB2 1 70 PHE QE . . 8.000 4.711 4.711 4.711 . 0 0 "[ ]" 2
237 1 14 PHE HB3 1 15 GLU H . . 3.600 2.357 2.357 2.357 . 0 0 "[ ]" 2
238 1 14 PHE HB3 1 67 PHE QD . . 7.800 4.636 4.636 4.636 . 0 0 "[ ]" 2
239 1 14 PHE HB3 1 67 PHE QE . . 8.000 4.466 4.466 4.466 . 0 0 "[ ]" 2
240 1 14 PHE HB3 1 70 PHE QD . . 9.000 6.467 6.467 6.467 . 0 0 "[ ]" 2
241 1 14 PHE HB3 1 70 PHE QE . . 9.000 6.187 6.187 6.187 . 0 0 "[ ]" 2
242 1 14 PHE QD 1 15 GLU H . . 8.800 2.130 2.130 2.130 . 0 0 "[ ]" 2
243 1 14 PHE QD 1 15 GLU HA . . 9.000 2.736 2.736 2.736 . 0 0 "[ ]" 2
244 1 14 PHE QD 1 18 ALA MB . . 10.000 3.467 3.467 3.467 . 0 0 "[ ]" 2
245 1 14 PHE QD 1 19 ALA H . . 8.800 5.978 5.978 5.978 . 0 0 "[ ]" 2
246 1 14 PHE QD 1 27 LEU MD1 . . 10.000 3.009 3.009 3.009 . 0 0 "[ ]" 2
247 1 14 PHE QD 1 27 LEU MD2 . . 10.000 3.421 3.421 3.421 . 0 0 "[ ]" 2
248 1 14 PHE QD 1 67 PHE QD . . 10.100 2.908 2.908 2.908 . 0 0 "[ ]" 2
249 1 14 PHE QD 1 70 PHE H . . 9.000 6.182 6.182 6.182 . 0 0 "[ ]" 2
250 1 14 PHE QD 1 70 PHE HB2 . . 8.900 4.228 4.228 4.228 . 0 0 "[ ]" 2
251 1 14 PHE QD 1 70 PHE HB3 . . 9.000 4.747 4.747 4.747 . 0 0 "[ ]" 2
252 1 14 PHE QD 1 70 PHE QE . . 11.000 3.916 3.916 3.916 . 0 0 "[ ]" 2
253 1 14 PHE QE 1 18 ALA H . . 9.000 5.156 5.156 5.156 . 0 0 "[ ]" 2
254 1 14 PHE QE 1 18 ALA MB . . 9.300 3.118 3.118 3.118 . 0 0 "[ ]" 2
255 1 14 PHE QE 1 27 LEU HB2 . . 8.900 3.972 3.972 3.972 . 0 0 "[ ]" 2
256 1 14 PHE QE 1 27 LEU HB3 . . 9.000 4.661 4.661 4.661 . 0 0 "[ ]" 2
257 1 14 PHE QE 1 65 VAL HB . . 9.000 5.592 5.592 5.592 . 0 0 "[ ]" 2
258 1 14 PHE QE 1 65 VAL MG1 . . 9.200 4.271 4.271 4.271 . 0 0 "[ ]" 2
259 1 14 PHE QE 1 67 PHE H . . 7.500 3.203 3.203 3.203 . 0 0 "[ ]" 2
260 1 14 PHE QE 1 67 PHE HA . . 7.400 2.891 2.891 2.891 . 0 0 "[ ]" 2
261 1 14 PHE QE 1 67 PHE HB2 . . 9.000 3.398 3.398 3.398 . 0 0 "[ ]" 2
262 1 14 PHE QE 1 67 PHE QD . . 8.900 3.329 3.329 3.329 . 0 0 "[ ]" 2
263 1 14 PHE HZ 1 18 ALA MB . . 7.700 3.451 3.451 3.451 . 0 0 "[ ]" 2
264 1 14 PHE HZ 1 26 GLN H . . 6.800 4.702 4.702 4.702 . 0 0 "[ ]" 2
265 1 14 PHE HZ 1 26 GLN HA . . 4.400 4.384 4.384 4.384 . 0 0 "[ ]" 2
266 1 14 PHE HZ 1 27 LEU H . . 6.000 4.652 4.652 4.652 . 0 0 "[ ]" 2
267 1 14 PHE HZ 1 27 LEU HB2 . . 6.400 5.000 5.000 5.000 . 0 0 "[ ]" 2
268 1 14 PHE HZ 1 27 LEU HB3 . . 7.000 5.958 5.958 5.958 . 0 0 "[ ]" 2
269 1 14 PHE HZ 1 27 LEU HG . . 4.700 3.645 3.645 3.645 . 0 0 "[ ]" 2
270 1 14 PHE HZ 1 27 LEU MD1 . . 8.000 4.338 4.338 4.338 . 0 0 "[ ]" 2
271 1 14 PHE HZ 1 27 LEU MD2 . . 8.000 2.252 2.252 2.252 . 0 0 "[ ]" 2
272 1 14 PHE HZ 1 66 SER HA . . 7.000 3.058 3.058 3.058 . 0 0 "[ ]" 2
273 1 14 PHE HZ 1 66 SER HB2 . . 6.200 4.848 4.848 4.848 . 0 0 "[ ]" 2
274 1 14 PHE HZ 1 67 PHE QD . . 6.900 4.639 4.639 4.639 . 0 0 "[ ]" 2
275 1 15 GLU H 1 15 GLU HB2 . . 2.800 2.026 2.026 2.026 . 0 0 "[ ]" 2
276 1 15 GLU H 1 15 GLU HB3 . . 3.300 3.260 3.260 3.260 . 0 0 "[ ]" 2
277 1 15 GLU H 1 15 GLU HG2 . . 4.100 3.918 3.918 3.918 . 0 0 "[ ]" 2
278 1 15 GLU H 1 15 GLU HG3 . . 3.900 3.526 3.526 3.526 . 0 0 "[ ]" 2
279 1 15 GLU H 1 16 LYS H . . 3.200 2.646 2.646 2.646 . 0 0 "[ ]" 2
280 1 15 GLU H 1 17 TYR H . . 7.000 4.086 4.086 4.086 . 0 0 "[ ]" 2
281 1 15 GLU H 1 18 ALA H . . 6.000 4.422 4.422 4.422 . 0 0 "[ ]" 2
282 1 15 GLU H 1 18 ALA MB . . 8.000 4.208 4.208 4.208 . 0 0 "[ ]" 2
283 1 15 GLU HA 1 15 GLU HB3 . . 3.000 2.871 2.871 2.871 . 0 0 "[ ]" 2
284 1 15 GLU HA 1 15 GLU HG2 . . 3.100 2.009 2.009 2.009 . 0 0 "[ ]" 2
285 1 15 GLU HA 1 15 GLU HG3 . . 3.800 2.981 2.981 2.981 . 0 0 "[ ]" 2
286 1 15 GLU HA 1 16 LYS H . . 4.100 3.567 3.567 3.567 . 0 0 "[ ]" 2
287 1 15 GLU HA 1 18 ALA H . . 4.400 2.900 2.900 2.900 . 0 0 "[ ]" 2
288 1 15 GLU HA 1 18 ALA MB . . 3.300 2.143 2.143 2.143 . 0 0 "[ ]" 2
289 1 15 GLU HA 1 19 ALA H . . 7.000 3.495 3.495 3.495 . 0 0 "[ ]" 2
290 1 15 GLU HB2 1 16 LYS H . . 4.100 3.302 3.302 3.302 . 0 0 "[ ]" 2
291 1 15 GLU HB3 1 15 GLU HG2 . . 3.000 2.771 2.771 2.771 . 0 0 "[ ]" 2
292 1 15 GLU HB3 1 16 LYS H . . 4.000 3.239 3.239 3.239 . 0 0 "[ ]" 2
293 1 15 GLU HG2 1 16 LYS H . . 7.000 5.006 5.006 5.006 . 0 0 "[ ]" 2
294 1 15 GLU HG3 1 16 LYS H . . 7.000 5.260 5.260 5.260 . 0 0 "[ ]" 2
295 1 16 LYS H 1 16 LYS HA . . 3.100 2.784 2.784 2.784 . 0 0 "[ ]" 2
296 1 16 LYS H 1 16 LYS HB2 . . 3.200 2.244 2.244 2.244 . 0 0 "[ ]" 2
297 1 16 LYS H 1 16 LYS HB3 . . 3.200 2.704 2.704 2.704 . 0 0 "[ ]" 2
298 1 16 LYS H 1 16 LYS HG2 . . 5.100 4.297 4.297 4.297 . 0 0 "[ ]" 2
299 1 16 LYS H 1 16 LYS HG3 . . 5.400 4.342 4.342 4.342 . 0 0 "[ ]" 2
300 1 16 LYS H 1 16 LYS HD2 . . 6.500 4.857 4.857 4.857 . 0 0 "[ ]" 2
301 1 16 LYS H 1 16 LYS HD3 . . 5.600 5.140 5.140 5.140 . 0 0 "[ ]" 2
302 1 16 LYS H 1 17 TYR H . . 2.900 2.648 2.648 2.648 . 0 0 "[ ]" 2
303 1 16 LYS H 1 17 TYR HA . . 5.500 5.231 5.231 5.231 . 0 0 "[ ]" 2
304 1 16 LYS H 1 17 TYR QD . . 9.000 3.911 3.911 3.911 . 0 0 "[ ]" 2
305 1 16 LYS H 1 18 ALA H . . 5.100 4.020 4.020 4.020 . 0 0 "[ ]" 2
306 1 16 LYS HA 1 16 LYS HG2 . . 4.100 2.212 2.212 2.212 . 0 0 "[ ]" 2
307 1 16 LYS HA 1 16 LYS HG3 . . 2.900 3.078 3.078 3.078 0.178 1 0 "[ ]" 2
308 1 16 LYS HA 1 16 LYS HD2 . . 5.200 4.464 4.464 4.464 . 0 0 "[ ]" 2
309 1 16 LYS HA 1 16 LYS HD3 . . 5.400 4.035 4.035 4.035 . 0 0 "[ ]" 2
310 1 16 LYS HA 1 17 TYR H . . 4.000 3.547 3.547 3.547 . 0 0 "[ ]" 2
311 1 16 LYS HA 1 17 TYR QD . . 9.000 4.530 4.530 4.530 . 0 0 "[ ]" 2
312 1 16 LYS HA 1 18 ALA H . . 7.000 4.723 4.723 4.723 . 0 0 "[ ]" 2
313 1 16 LYS HA 1 19 ALA MB . . 4.200 3.127 3.127 3.127 . 0 0 "[ ]" 2
314 1 16 LYS HB2 1 16 LYS HD2 . . 3.500 3.124 3.124 3.124 . 0 0 "[ ]" 2
315 1 16 LYS HB2 1 16 LYS HD3 . . 4.100 3.799 3.799 3.799 . 0 0 "[ ]" 2
316 1 16 LYS HB2 1 17 TYR H . . 4.200 3.943 3.943 3.943 . 0 0 "[ ]" 2
317 1 16 LYS HB2 1 17 TYR QD . . 7.100 3.963 3.963 3.963 . 0 0 "[ ]" 2
318 1 16 LYS HB2 1 17 TYR QE . . 9.000 5.211 5.211 5.211 . 0 0 "[ ]" 2
319 1 16 LYS HB3 1 16 LYS HD2 . . 3.000 2.247 2.247 2.247 . 0 0 "[ ]" 2
320 1 16 LYS HB3 1 16 LYS HD3 . . 3.400 2.656 2.656 2.656 . 0 0 "[ ]" 2
321 1 16 LYS HB3 1 17 TYR H . . 3.500 3.032 3.032 3.032 . 0 0 "[ ]" 2
322 1 16 LYS HB3 1 17 TYR HA . . 4.600 4.378 4.378 4.378 . 0 0 "[ ]" 2
323 1 16 LYS HB3 1 17 TYR QE . . 9.000 3.640 3.640 3.640 . 0 0 "[ ]" 2
324 1 16 LYS HG2 1 17 TYR QD . . 9.000 4.480 4.480 4.480 . 0 0 "[ ]" 2
325 1 16 LYS HG2 1 17 TYR QE . . 9.000 5.464 5.464 5.464 . 0 0 "[ ]" 2
326 1 16 LYS HG3 1 17 TYR H . . 7.000 5.458 5.458 5.458 . 0 0 "[ ]" 2
327 1 16 LYS HG3 1 17 TYR QD . . 9.000 4.973 4.973 4.973 . 0 0 "[ ]" 2
328 1 16 LYS HG3 1 17 TYR QE . . 9.000 5.568 5.568 5.568 . 0 0 "[ ]" 2
329 1 16 LYS HD2 1 17 TYR QD . . 9.000 3.437 3.437 3.437 . 0 0 "[ ]" 2
330 1 16 LYS HD3 1 17 TYR H . . 7.000 4.681 4.681 4.681 . 0 0 "[ ]" 2
331 1 16 LYS HD3 1 17 TYR QE . . 7.700 3.424 3.424 3.424 . 0 0 "[ ]" 2
332 1 16 LYS QE 1 17 TYR QE . . 10.000 4.841 4.841 4.841 . 0 0 "[ ]" 2
333 1 17 TYR H 1 17 TYR HB2 . . 3.100 2.056 2.056 2.056 . 0 0 "[ ]" 2
334 1 17 TYR H 1 17 TYR HB3 . . 3.400 3.377 3.377 3.377 . 0 0 "[ ]" 2
335 1 17 TYR H 1 17 TYR QD . . 5.600 2.498 2.498 2.498 . 0 0 "[ ]" 2
336 1 17 TYR H 1 18 ALA H . . 2.900 2.206 2.206 2.206 . 0 0 "[ ]" 2
337 1 17 TYR H 1 18 ALA MB . . 4.700 3.866 3.866 3.866 . 0 0 "[ ]" 2
338 1 17 TYR H 1 19 ALA H . . 5.800 3.563 3.563 3.563 . 0 0 "[ ]" 2
339 1 17 TYR H 1 27 LEU MD2 . . 8.000 5.496 5.496 5.496 . 0 0 "[ ]" 2
340 1 17 TYR H 1 35 LEU MD1 . . 8.000 3.471 3.471 3.471 . 0 0 "[ ]" 2
341 1 17 TYR HA 1 17 TYR HB3 . . 3.000 2.717 2.717 2.717 . 0 0 "[ ]" 2
342 1 17 TYR HA 1 17 TYR QE . . 6.200 4.648 4.648 4.648 . 0 0 "[ ]" 2
343 1 17 TYR HA 1 18 ALA H . . 3.900 3.594 3.594 3.594 . 0 0 "[ ]" 2
344 1 17 TYR HA 1 20 LYS H . . 5.900 3.079 3.079 3.079 . 0 0 "[ ]" 2
345 1 17 TYR HA 1 20 LYS HB2 . . 5.000 2.205 2.205 2.205 . 0 0 "[ ]" 2
346 1 17 TYR HA 1 20 LYS HB3 . . 6.000 3.777 3.777 3.777 . 0 0 "[ ]" 2
347 1 17 TYR HB2 1 18 ALA H . . 3.500 2.690 2.690 2.690 . 0 0 "[ ]" 2
348 1 17 TYR HB2 1 27 LEU MD1 . . 6.600 3.784 3.784 3.784 . 0 0 "[ ]" 2
349 1 17 TYR HB2 1 27 LEU MD2 . . 6.300 5.025 5.025 5.025 . 0 0 "[ ]" 2
350 1 17 TYR HB2 1 35 LEU MD1 . . 5.200 1.953 1.953 1.953 . 0 0 "[ ]" 2
351 1 17 TYR HB3 1 18 ALA H . . 4.200 3.367 3.367 3.367 . 0 0 "[ ]" 2
352 1 17 TYR HB3 1 27 LEU MD1 . . 8.000 3.635 3.635 3.635 . 0 0 "[ ]" 2
353 1 17 TYR HB3 1 27 LEU MD2 . . 7.700 5.120 5.120 5.120 . 0 0 "[ ]" 2
354 1 17 TYR HB3 1 35 LEU H . . 7.000 3.845 3.845 3.845 . 0 0 "[ ]" 2
355 1 17 TYR HB3 1 35 LEU MD1 . . 6.100 2.629 2.629 2.629 . 0 0 "[ ]" 2
356 1 17 TYR QD 1 18 ALA H . . 8.500 4.357 4.357 4.357 . 0 0 "[ ]" 2
357 1 17 TYR QD 1 27 LEU MD1 . . 10.000 4.730 4.730 4.730 . 0 0 "[ ]" 2
358 1 17 TYR QD 1 27 LEU MD2 . . 10.000 6.230 6.230 6.230 . 0 0 "[ ]" 2
359 1 17 TYR QD 1 34 LEU HB2 . . 7.400 2.235 2.235 2.235 . 0 0 "[ ]" 2
360 1 17 TYR QD 1 34 LEU HB3 . . 7.600 3.152 3.152 3.152 . 0 0 "[ ]" 2
361 1 17 TYR QD 1 34 LEU HG . . 8.100 4.475 4.475 4.475 . 0 0 "[ ]" 2
362 1 17 TYR QD 1 34 LEU MD1 . . 9.700 3.777 3.777 3.777 . 0 0 "[ ]" 2
363 1 17 TYR QD 1 34 LEU MD2 . . 10.000 4.905 4.905 4.905 . 0 0 "[ ]" 2
364 1 17 TYR QD 1 35 LEU H . . 7.300 2.120 2.120 2.120 . 0 0 "[ ]" 2
365 1 17 TYR QD 1 35 LEU HA . . 7.200 2.948 2.948 2.948 . 0 0 "[ ]" 2
366 1 17 TYR QD 1 35 LEU HB2 . . 7.600 2.369 2.369 2.369 . 0 0 "[ ]" 2
367 1 17 TYR QD 1 35 LEU HB3 . . 9.000 3.892 3.892 3.892 . 0 0 "[ ]" 2
368 1 17 TYR QD 1 35 LEU HG . . 6.500 4.027 4.027 4.027 . 0 0 "[ ]" 2
369 1 17 TYR QD 1 35 LEU MD1 . . 7.900 2.757 2.757 2.757 . 0 0 "[ ]" 2
370 1 17 TYR QD 1 35 LEU MD2 . . 10.000 4.625 4.625 4.625 . 0 0 "[ ]" 2
371 1 17 TYR QE 1 34 LEU HB3 . . 6.700 2.516 2.516 2.516 . 0 0 "[ ]" 2
372 1 17 TYR QE 1 34 LEU HG . . 7.600 5.156 5.156 5.156 . 0 0 "[ ]" 2
373 1 17 TYR QE 1 34 LEU MD1 . . 10.000 4.110 4.110 4.110 . 0 0 "[ ]" 2
374 1 17 TYR QE 1 34 LEU MD2 . . 10.000 4.494 4.494 4.494 . 0 0 "[ ]" 2
375 1 17 TYR QE 1 35 LEU H . . 9.000 3.082 3.082 3.082 . 0 0 "[ ]" 2
376 1 17 TYR QE 1 35 LEU HA . . 5.900 2.259 2.259 2.259 . 0 0 "[ ]" 2
377 1 17 TYR QE 1 35 LEU HB2 . . 9.000 3.824 3.824 3.824 . 0 0 "[ ]" 2
378 1 17 TYR QE 1 35 LEU HG . . 7.100 4.077 4.077 4.077 . 0 0 "[ ]" 2
379 1 17 TYR QE 1 35 LEU MD1 . . 10.000 3.768 3.768 3.768 . 0 0 "[ ]" 2
380 1 17 TYR QE 1 35 LEU MD2 . . 10.000 5.040 5.040 5.040 . 0 0 "[ ]" 2
381 1 17 TYR QE 1 38 THR HB . . 9.000 3.228 3.228 3.228 . 0 0 "[ ]" 2
382 1 17 TYR QE 1 38 THR MG . . 10.000 3.592 3.592 3.592 . 0 0 "[ ]" 2
383 1 17 TYR QE 1 39 GLU HG3 . . 9.000 7.457 7.457 7.457 . 0 0 "[ ]" 2
384 1 18 ALA H 1 18 ALA MB . . 3.300 2.127 2.127 2.127 . 0 0 "[ ]" 2
385 1 18 ALA H 1 19 ALA H . . 3.100 2.543 2.543 2.543 . 0 0 "[ ]" 2
386 1 18 ALA H 1 19 ALA MB . . 5.500 4.177 4.177 4.177 . 0 0 "[ ]" 2
387 1 18 ALA H 1 20 LYS H . . 5.300 3.843 3.843 3.843 . 0 0 "[ ]" 2
388 1 18 ALA H 1 27 LEU HG . . 7.000 6.179 6.179 6.179 . 0 0 "[ ]" 2
389 1 18 ALA H 1 27 LEU MD1 . . 6.700 3.651 3.651 3.651 . 0 0 "[ ]" 2
390 1 18 ALA H 1 27 LEU MD2 . . 5.700 3.851 3.851 3.851 . 0 0 "[ ]" 2
391 1 18 ALA HA 1 19 ALA H . . 4.600 3.531 3.531 3.531 . 0 0 "[ ]" 2
392 1 18 ALA HA 1 19 ALA HA . . 6.500 4.680 4.680 4.680 . 0 0 "[ ]" 2
393 1 18 ALA HA 1 20 LYS H . . 4.300 3.911 3.911 3.911 . 0 0 "[ ]" 2
394 1 18 ALA HA 1 21 GLU H . . 7.000 4.122 4.122 4.122 . 0 0 "[ ]" 2
395 1 18 ALA HA 1 27 LEU HA . . 3.600 3.595 3.595 3.595 . 0 0 "[ ]" 2
396 1 18 ALA HA 1 27 LEU MD1 . . 5.100 3.127 3.127 3.127 . 0 0 "[ ]" 2
397 1 18 ALA HA 1 27 LEU MD2 . . 4.500 2.808 2.808 2.808 . 0 0 "[ ]" 2
398 1 18 ALA HA 1 28 SER H . . 4.700 4.828 4.828 4.828 0.128 1 0 "[ ]" 2
399 1 18 ALA MB 1 19 ALA H . . 3.800 2.904 2.904 2.904 . 0 0 "[ ]" 2
400 1 18 ALA MB 1 19 ALA MB . . 9.000 3.670 3.670 3.670 . 0 0 "[ ]" 2
401 1 18 ALA MB 1 25 ASN H . . 8.000 4.297 4.297 4.297 . 0 0 "[ ]" 2
402 1 18 ALA MB 1 25 ASN HA . . 5.200 4.321 4.321 4.321 . 0 0 "[ ]" 2
403 1 18 ALA MB 1 26 GLN H . . 6.300 3.177 3.177 3.177 . 0 0 "[ ]" 2
404 1 18 ALA MB 1 27 LEU H . . 8.000 4.573 4.573 4.573 . 0 0 "[ ]" 2
405 1 19 ALA H 1 19 ALA MB . . 3.300 2.210 2.210 2.210 . 0 0 "[ ]" 2
406 1 19 ALA H 1 20 LYS H . . 3.100 2.311 2.311 2.311 . 0 0 "[ ]" 2
407 1 19 ALA H 1 24 PRO HA . . 4.100 3.772 3.772 3.772 . 0 0 "[ ]" 2
408 1 19 ALA H 1 24 PRO HB2 . . 7.000 4.084 4.084 4.084 . 0 0 "[ ]" 2
409 1 19 ALA H 1 27 LEU MD1 . . 8.000 5.552 5.552 5.552 . 0 0 "[ ]" 2
410 1 19 ALA H 1 27 LEU MD2 . . 8.000 5.143 5.143 5.143 . 0 0 "[ ]" 2
411 1 19 ALA HA 1 20 LYS H . . 4.000 3.486 3.486 3.486 . 0 0 "[ ]" 2
412 1 19 ALA HA 1 21 GLU H . . 7.000 4.747 4.747 4.747 . 0 0 "[ ]" 2
413 1 19 ALA HA 1 24 PRO HB3 . . 7.000 2.104 2.104 2.104 . 0 0 "[ ]" 2
414 1 19 ALA MB 1 20 LYS H . . 3.900 3.029 3.029 3.029 . 0 0 "[ ]" 2
415 1 20 LYS H 1 20 LYS HA . . 3.100 2.753 2.753 2.753 . 0 0 "[ ]" 2
416 1 20 LYS H 1 20 LYS HB2 . . 3.200 2.008 2.008 2.008 . 0 0 "[ ]" 2
417 1 20 LYS H 1 20 LYS HB3 . . 3.400 3.129 3.129 3.129 . 0 0 "[ ]" 2
418 1 20 LYS H 1 20 LYS HG2 . . 4.200 4.276 4.276 4.276 0.076 1 0 "[ ]" 2
419 1 20 LYS H 1 20 LYS HG3 . . 4.000 3.650 3.650 3.650 . 0 0 "[ ]" 2
420 1 20 LYS H 1 20 LYS HD2 . . 4.700 4.838 4.838 4.838 0.138 1 0 "[ ]" 2
421 1 20 LYS H 1 20 LYS HD3 . . 4.900 4.850 4.850 4.850 . 0 0 "[ ]" 2
422 1 20 LYS H 1 21 GLU H . . 3.500 3.028 3.028 3.028 . 0 0 "[ ]" 2
423 1 20 LYS H 1 31 GLU HG3 . . 6.900 5.826 5.826 5.826 . 0 0 "[ ]" 2
424 1 20 LYS H 1 31 GLU HG2 . . 7.000 4.677 4.677 4.677 . 0 0 "[ ]" 2
425 1 20 LYS HA 1 20 LYS HB3 . . 3.000 2.916 2.916 2.916 . 0 0 "[ ]" 2
426 1 20 LYS HA 1 20 LYS HG2 . . 3.900 2.307 2.307 2.307 . 0 0 "[ ]" 2
427 1 20 LYS HA 1 20 LYS HG3 . . 4.100 2.519 2.519 2.519 . 0 0 "[ ]" 2
428 1 20 LYS HA 1 20 LYS HD2 . . 4.400 4.499 4.499 4.499 0.099 1 0 "[ ]" 2
429 1 20 LYS HA 1 20 LYS HD3 . . 4.500 4.320 4.320 4.320 . 0 0 "[ ]" 2
430 1 20 LYS HA 1 21 GLU H . . 3.800 3.639 3.639 3.639 . 0 0 "[ ]" 2
431 1 20 LYS HB2 1 20 LYS HD2 . . 3.400 2.924 2.924 2.924 . 0 0 "[ ]" 2
432 1 20 LYS HB2 1 20 LYS HD3 . . 3.500 2.904 2.904 2.904 . 0 0 "[ ]" 2
433 1 20 LYS HB2 1 20 LYS HE2 . . 4.800 4.674 4.674 4.674 . 0 0 "[ ]" 2
434 1 20 LYS HB2 1 21 GLU H . . 3.300 3.117 3.117 3.117 . 0 0 "[ ]" 2
435 1 20 LYS HB3 1 20 LYS HD2 . . 3.600 3.255 3.255 3.255 . 0 0 "[ ]" 2
436 1 20 LYS HB3 1 20 LYS HD3 . . 3.700 2.230 2.230 2.230 . 0 0 "[ ]" 2
437 1 20 LYS HB3 1 20 LYS HE2 . . 5.100 3.885 3.885 3.885 . 0 0 "[ ]" 2
438 1 20 LYS HB3 1 21 GLU H . . 3.500 2.342 2.342 2.342 . 0 0 "[ ]" 2
439 1 20 LYS HB3 1 31 GLU HG3 . . 4.700 4.721 4.721 4.721 0.021 1 0 "[ ]" 2
440 1 20 LYS HB3 1 31 GLU HG2 . . 4.100 3.272 3.272 3.272 . 0 0 "[ ]" 2
441 1 20 LYS HD2 1 20 LYS HG2 . . 2.900 3.015 3.015 3.015 0.115 1 0 "[ ]" 2
442 1 20 LYS HD3 1 20 LYS HG2 . . 3.000 2.697 2.697 2.697 . 0 0 "[ ]" 2
443 1 20 LYS HE2 1 20 LYS HG2 . . 3.500 2.386 2.386 2.386 . 0 0 "[ ]" 2
444 1 20 LYS HG2 1 21 GLU H . . 7.000 4.480 4.480 4.480 . 0 0 "[ ]" 2
445 1 20 LYS HD2 1 20 LYS HG3 . . 2.800 2.344 2.344 2.344 . 0 0 "[ ]" 2
446 1 20 LYS HE2 1 20 LYS HG3 . . 4.000 3.418 3.418 3.418 . 0 0 "[ ]" 2
447 1 20 LYS HG3 1 21 GLU H . . 7.000 4.942 4.942 4.942 . 0 0 "[ ]" 2
448 1 20 LYS HD2 1 21 GLU H . . 7.000 5.511 5.511 5.511 . 0 0 "[ ]" 2
449 1 20 LYS HD3 1 21 GLU H . . 7.000 4.498 4.498 4.498 . 0 0 "[ ]" 2
450 1 21 GLU H 1 21 GLU HB2 . . 3.400 2.437 2.437 2.437 . 0 0 "[ ]" 2
451 1 21 GLU H 1 21 GLU HB3 . . 3.700 3.618 3.618 3.618 . 0 0 "[ ]" 2
452 1 21 GLU H 1 21 GLU HG2 . . 3.600 3.658 3.658 3.658 0.058 1 0 "[ ]" 2
453 1 21 GLU H 1 21 GLU HG3 . . 3.500 3.560 3.560 3.560 0.060 1 0 "[ ]" 2
454 1 21 GLU H 1 22 GLY H . . 5.200 4.409 4.409 4.409 . 0 0 "[ ]" 2
455 1 21 GLU H 1 31 GLU HB2 . . 5.200 5.128 5.128 5.128 . 0 0 "[ ]" 2
456 1 21 GLU H 1 31 GLU HG3 . . 5.300 3.253 3.253 3.253 . 0 0 "[ ]" 2
457 1 21 GLU H 1 31 GLU HG2 . . 5.900 2.511 2.511 2.511 . 0 0 "[ ]" 2
458 1 21 GLU HA 1 21 GLU HG2 . . 3.700 2.142 2.142 2.142 . 0 0 "[ ]" 2
459 1 21 GLU HA 1 22 GLY H . . 2.600 2.226 2.226 2.226 . 0 0 "[ ]" 2
460 1 21 GLU HB2 1 21 GLU HG3 . . 3.000 2.278 2.278 2.278 . 0 0 "[ ]" 2
461 1 21 GLU HB2 1 31 GLU HB3 . . 4.700 4.566 4.566 4.566 . 0 0 "[ ]" 2
462 1 21 GLU HB3 1 21 GLU HG3 . . 3.100 2.936 2.936 2.936 . 0 0 "[ ]" 2
463 1 21 GLU HB3 1 22 GLY H . . 3.300 3.359 3.359 3.359 0.059 1 0 "[ ]" 2
464 1 21 GLU HB3 1 31 GLU HB2 . . 5.100 5.176 5.176 5.176 0.076 1 0 "[ ]" 2
465 1 21 GLU HB3 1 31 GLU HB3 . . 6.700 5.927 5.927 5.927 . 0 0 "[ ]" 2
466 1 21 GLU HG2 1 22 GLY H . . 4.600 4.124 4.124 4.124 . 0 0 "[ ]" 2
467 1 22 GLY H 1 22 GLY HA2 . . 2.800 2.247 2.247 2.247 . 0 0 "[ ]" 2
468 1 22 GLY H 1 23 ASP H . . 5.100 4.582 4.582 4.582 . 0 0 "[ ]" 2
469 1 22 GLY HA2 1 23 ASP H . . 3.400 2.629 2.629 2.629 . 0 0 "[ ]" 2
470 1 22 GLY HA3 1 23 ASP H . . 2.900 2.610 2.610 2.610 . 0 0 "[ ]" 2
471 1 23 ASP H 1 23 ASP HB2 . . 3.100 2.101 2.101 2.101 . 0 0 "[ ]" 2
472 1 23 ASP H 1 23 ASP HB3 . . 3.200 2.894 2.894 2.894 . 0 0 "[ ]" 2
473 1 23 ASP HA 1 24 PRO HD2 . . 3.100 2.524 2.524 2.524 . 0 0 "[ ]" 2
474 1 23 ASP HA 1 24 PRO HD3 . . 3.400 1.972 1.972 1.972 . 0 0 "[ ]" 2
475 1 23 ASP HA 1 25 ASN H . . 7.000 3.668 3.668 3.668 . 0 0 "[ ]" 2
476 1 23 ASP HB2 1 24 PRO HD2 . . 6.200 4.230 4.230 4.230 . 0 0 "[ ]" 2
477 1 23 ASP HB2 1 25 ASN H . . 5.300 4.057 4.057 4.057 . 0 0 "[ ]" 2
478 1 23 ASP HB2 1 26 GLN H . . 5.500 5.155 5.155 5.155 . 0 0 "[ ]" 2
479 1 23 ASP HB3 1 24 PRO HD2 . . 6.100 3.778 3.778 3.778 . 0 0 "[ ]" 2
480 1 23 ASP HB3 1 25 ASN H . . 5.000 2.591 2.591 2.591 . 0 0 "[ ]" 2
481 1 23 ASP HB3 1 26 GLN H . . 4.400 3.482 3.482 3.482 . 0 0 "[ ]" 2
482 1 24 PRO HA 1 25 ASN H . . 4.600 3.257 3.257 3.257 . 0 0 "[ ]" 2
483 1 24 PRO HB2 1 25 ASN H . . 5.500 4.003 4.003 4.003 . 0 0 "[ ]" 2
484 1 24 PRO HB3 1 24 PRO HG2 . . 2.900 2.956 2.956 2.956 0.056 1 0 "[ ]" 2
485 1 24 PRO HG2 1 25 ASN H . . 5.700 3.819 3.819 3.819 . 0 0 "[ ]" 2
486 1 24 PRO HD2 1 24 PRO HG3 . . 2.900 2.869 2.869 2.869 . 0 0 "[ ]" 2
487 1 24 PRO HG3 1 25 ASN H . . 7.000 4.729 4.729 4.729 . 0 0 "[ ]" 2
488 1 24 PRO HD2 1 25 ASN H . . 5.800 2.678 2.678 2.678 . 0 0 "[ ]" 2
489 1 24 PRO HD3 1 25 ASN H . . 6.200 3.812 3.812 3.812 . 0 0 "[ ]" 2
490 1 25 ASN H 1 25 ASN HB2 . . 3.000 2.251 2.251 2.251 . 0 0 "[ ]" 2
491 1 25 ASN H 1 25 ASN HB3 . . 4.100 3.517 3.517 3.517 . 0 0 "[ ]" 2
492 1 25 ASN H 1 25 ASN HD21 . . 4.600 2.718 2.718 2.718 . 0 0 "[ ]" 2
493 1 25 ASN H 1 25 ASN HD22 . . 4.800 4.052 4.052 4.052 . 0 0 "[ ]" 2
494 1 25 ASN H 1 26 GLN H . . 2.700 2.522 2.522 2.522 . 0 0 "[ ]" 2
495 1 25 ASN HA 1 25 ASN HB3 . . 3.000 2.658 2.658 2.658 . 0 0 "[ ]" 2
496 1 25 ASN HA 1 26 GLN H . . 3.700 3.240 3.240 3.240 . 0 0 "[ ]" 2
497 1 25 ASN HA 1 67 PHE H . . 7.000 5.758 5.758 5.758 . 0 0 "[ ]" 2
498 1 25 ASN HB2 1 25 ASN HD21 . . 3.500 2.154 2.154 2.154 . 0 0 "[ ]" 2
499 1 25 ASN HB2 1 25 ASN HD22 . . 4.100 3.466 3.466 3.466 . 0 0 "[ ]" 2
500 1 25 ASN HB2 1 26 GLN H . . 4.500 3.775 3.775 3.775 . 0 0 "[ ]" 2
501 1 25 ASN HB3 1 26 GLN H . . 4.700 4.280 4.280 4.280 . 0 0 "[ ]" 2
502 1 26 GLN H 1 26 GLN HB3 . . 4.000 3.617 3.617 3.617 . 0 0 "[ ]" 2
503 1 26 GLN H 1 26 GLN HG2 . . 5.100 2.254 2.254 2.254 . 0 0 "[ ]" 2
504 1 26 GLN H 1 26 GLN HG3 . . 4.600 3.258 3.258 3.258 . 0 0 "[ ]" 2
505 1 26 GLN HA 1 26 GLN HG2 . . 3.900 3.533 3.533 3.533 . 0 0 "[ ]" 2
506 1 26 GLN HA 1 27 LEU H . . 3.600 2.245 2.245 2.245 . 0 0 "[ ]" 2
507 1 26 GLN HA 1 67 PHE H . . 5.900 5.258 5.258 5.258 . 0 0 "[ ]" 2
508 1 26 GLN HB2 1 27 LEU H . . 5.000 3.234 3.234 3.234 . 0 0 "[ ]" 2
509 1 26 GLN HB3 1 27 LEU H . . 4.000 4.032 4.032 4.032 0.032 1 0 "[ ]" 2
510 1 26 GLN HE21 1 26 GLN HG2 . . 3.500 2.675 2.675 2.675 . 0 0 "[ ]" 2
511 1 27 LEU H 1 27 LEU HB2 . . 3.800 2.280 2.280 2.280 . 0 0 "[ ]" 2
512 1 27 LEU H 1 27 LEU HB3 . . 4.000 3.535 3.535 3.535 . 0 0 "[ ]" 2
513 1 27 LEU H 1 27 LEU HG . . 4.000 3.656 3.656 3.656 . 0 0 "[ ]" 2
514 1 27 LEU H 1 27 LEU MD1 . . 5.800 4.313 4.313 4.313 . 0 0 "[ ]" 2
515 1 27 LEU H 1 28 SER H . . 6.600 4.587 4.587 4.587 . 0 0 "[ ]" 2
516 1 27 LEU H 1 65 VAL H . . 4.000 2.392 2.392 2.392 . 0 0 "[ ]" 2
517 1 27 LEU H 1 65 VAL HB . . 5.400 3.547 3.547 3.547 . 0 0 "[ ]" 2
518 1 27 LEU H 1 65 VAL MG1 . . 8.000 4.324 4.324 4.324 . 0 0 "[ ]" 2
519 1 27 LEU HA 1 27 LEU HG . . 3.700 3.685 3.685 3.685 . 0 0 "[ ]" 2
520 1 27 LEU HA 1 27 LEU MD1 . . 3.900 2.838 2.838 2.838 . 0 0 "[ ]" 2
521 1 27 LEU HA 1 28 SER H . . 2.600 2.418 2.418 2.418 . 0 0 "[ ]" 2
522 1 27 LEU HA 1 31 GLU H . . 7.000 5.614 5.614 5.614 . 0 0 "[ ]" 2
523 1 27 LEU HA 1 31 GLU HB2 . . 3.900 3.593 3.593 3.593 . 0 0 "[ ]" 2
524 1 27 LEU HA 1 31 GLU HB3 . . 4.200 3.360 3.360 3.360 . 0 0 "[ ]" 2
525 1 27 LEU HA 1 31 GLU HG3 . . 7.000 4.865 4.865 4.865 . 0 0 "[ ]" 2
526 1 27 LEU HA 1 31 GLU HG2 . . 7.000 5.430 5.430 5.430 . 0 0 "[ ]" 2
527 1 27 LEU HA 1 32 LEU H . . 5.100 4.668 4.668 4.668 . 0 0 "[ ]" 2
528 1 27 LEU HA 1 65 VAL H . . 5.700 4.250 4.250 4.250 . 0 0 "[ ]" 2
529 1 27 LEU HB2 1 27 LEU HG . . 3.100 2.239 2.239 2.239 . 0 0 "[ ]" 2
530 1 27 LEU HB2 1 28 SER H . . 4.500 3.917 3.917 3.917 . 0 0 "[ ]" 2
531 1 27 LEU HB2 1 32 LEU H . . 7.000 5.484 5.484 5.484 . 0 0 "[ ]" 2
532 1 27 LEU HB2 1 65 VAL HB . . 3.100 1.974 1.974 1.974 . 0 0 "[ ]" 2
533 1 27 LEU HB2 1 65 VAL MG1 . . 6.800 2.604 2.604 2.604 . 0 0 "[ ]" 2
534 1 27 LEU HB3 1 28 SER H . . 3.900 2.615 2.615 2.615 . 0 0 "[ ]" 2
535 1 27 LEU HB3 1 31 GLU HB3 . . 4.300 4.048 4.048 4.048 . 0 0 "[ ]" 2
536 1 27 LEU HB3 1 32 LEU H . . 6.200 3.771 3.771 3.771 . 0 0 "[ ]" 2
537 1 27 LEU HB3 1 32 LEU HA . . 7.000 4.206 4.206 4.206 . 0 0 "[ ]" 2
538 1 27 LEU HB3 1 32 LEU HB2 . . 5.200 2.844 2.844 2.844 . 0 0 "[ ]" 2
539 1 27 LEU HB3 1 32 LEU HG . . 7.000 5.059 5.059 5.059 . 0 0 "[ ]" 2
540 1 27 LEU HB3 1 32 LEU MD1 . . 5.200 3.098 3.098 3.098 . 0 0 "[ ]" 2
541 1 27 LEU HB3 1 32 LEU MD2 . . 4.700 2.723 2.723 2.723 . 0 0 "[ ]" 2
542 1 27 LEU HB3 1 65 VAL H . . 7.000 3.784 3.784 3.784 . 0 0 "[ ]" 2
543 1 27 LEU HB3 1 65 VAL HB . . 3.900 2.524 2.524 2.524 . 0 0 "[ ]" 2
544 1 27 LEU HB3 1 65 VAL MG1 . . 8.000 3.002 3.002 3.002 . 0 0 "[ ]" 2
545 1 27 LEU HG 1 28 SER H . . 6.600 5.015 5.015 5.015 . 0 0 "[ ]" 2
546 1 27 LEU HG 1 65 VAL HB . . 4.800 3.924 3.924 3.924 . 0 0 "[ ]" 2
547 1 27 LEU MD1 1 28 SER H . . 7.100 3.133 3.133 3.133 . 0 0 "[ ]" 2
548 1 27 LEU MD1 1 31 GLU H . . 8.000 5.358 5.358 5.358 . 0 0 "[ ]" 2
549 1 27 LEU MD1 1 31 GLU HB2 . . 7.200 3.960 3.960 3.960 . 0 0 "[ ]" 2
550 1 27 LEU MD1 1 31 GLU HB3 . . 5.000 2.954 2.954 2.954 . 0 0 "[ ]" 2
551 1 27 LEU MD1 1 32 LEU H . . 8.000 3.392 3.392 3.392 . 0 0 "[ ]" 2
552 1 27 LEU MD1 1 32 LEU HA . . 6.700 2.749 2.749 2.749 . 0 0 "[ ]" 2
553 1 27 LEU MD1 1 32 LEU MD1 . . 9.000 1.775 1.775 1.775 . 0 0 "[ ]" 2
554 1 27 LEU MD1 1 32 LEU MD2 . . 9.000 3.074 3.074 3.074 . 0 0 "[ ]" 2
555 1 27 LEU MD1 1 35 LEU H . . 8.000 4.905 4.905 4.905 . 0 0 "[ ]" 2
556 1 27 LEU MD1 1 65 VAL HB . . 5.200 4.069 4.069 4.069 . 0 0 "[ ]" 2
557 1 27 LEU MD1 1 65 VAL MG1 . . 6.700 3.508 3.508 3.508 . 0 0 "[ ]" 2
558 1 27 LEU MD1 1 70 PHE H . . 8.000 6.170 6.170 6.170 . 0 0 "[ ]" 2
559 1 27 LEU MD1 1 70 PHE HB3 . . 8.000 5.807 5.807 5.807 . 0 0 "[ ]" 2
560 1 27 LEU MD1 1 70 PHE QD . . 8.600 3.239 3.239 3.239 . 0 0 "[ ]" 2
561 1 27 LEU MD1 1 70 PHE QE . . 10.000 3.610 3.610 3.610 . 0 0 "[ ]" 2
562 1 27 LEU MD2 1 28 SER H . . 8.000 3.916 3.916 3.916 . 0 0 "[ ]" 2
563 1 27 LEU MD2 1 31 GLU HB2 . . 8.000 4.753 4.753 4.753 . 0 0 "[ ]" 2
564 1 27 LEU MD2 1 32 LEU H . . 8.000 5.406 5.406 5.406 . 0 0 "[ ]" 2
565 1 27 LEU MD2 1 32 LEU HA . . 7.800 5.348 5.348 5.348 . 0 0 "[ ]" 2
566 1 27 LEU MD2 1 32 LEU MD1 . . 9.000 4.122 4.122 4.122 . 0 0 "[ ]" 2
567 1 27 LEU MD2 1 32 LEU MD2 . . 9.000 4.683 4.683 4.683 . 0 0 "[ ]" 2
568 1 27 LEU MD2 1 65 VAL HB . . 5.300 4.409 4.409 4.409 . 0 0 "[ ]" 2
569 1 27 LEU MD2 1 65 VAL MG1 . . 6.300 4.251 4.251 4.251 . 0 0 "[ ]" 2
570 1 27 LEU MD2 1 70 PHE H . . 8.000 6.196 6.196 6.196 . 0 0 "[ ]" 2
571 1 27 LEU MD2 1 70 PHE HB3 . . 8.000 6.212 6.212 6.212 . 0 0 "[ ]" 2
572 1 27 LEU MD2 1 70 PHE QD . . 7.600 4.915 4.915 4.915 . 0 0 "[ ]" 2
573 1 27 LEU MD2 1 70 PHE QE . . 9.400 5.785 5.785 5.785 . 0 0 "[ ]" 2
574 1 28 SER H 1 28 SER HB2 . . 3.400 2.755 2.755 2.755 . 0 0 "[ ]" 2
575 1 28 SER H 1 28 SER HB3 . . 4.100 3.825 3.825 3.825 . 0 0 "[ ]" 2
576 1 28 SER H 1 29 LYS H . . 6.000 4.422 4.422 4.422 . 0 0 "[ ]" 2
577 1 28 SER H 1 31 GLU H . . 4.200 3.502 3.502 3.502 . 0 0 "[ ]" 2
578 1 28 SER H 1 31 GLU HA . . 5.800 4.651 4.651 4.651 . 0 0 "[ ]" 2
579 1 28 SER H 1 31 GLU HB2 . . 2.600 1.913 1.913 1.913 . 0 0 "[ ]" 2
580 1 28 SER H 1 31 GLU HB3 . . 3.200 2.562 2.562 2.562 . 0 0 "[ ]" 2
581 1 28 SER H 1 31 GLU HG3 . . 5.400 4.016 4.016 4.016 . 0 0 "[ ]" 2
582 1 28 SER H 1 31 GLU HG2 . . 5.400 4.727 4.727 4.727 . 0 0 "[ ]" 2
583 1 28 SER H 1 32 LEU H . . 6.800 2.615 2.615 2.615 . 0 0 "[ ]" 2
584 1 28 SER H 1 64 GLU HA . . 7.000 5.817 5.817 5.817 . 0 0 "[ ]" 2
585 1 28 SER H 1 65 VAL H . . 4.700 4.733 4.733 4.733 0.033 1 0 "[ ]" 2
586 1 28 SER HA 1 29 LYS H . . 2.800 2.596 2.596 2.596 . 0 0 "[ ]" 2
587 1 28 SER HA 1 29 LYS HA . . 6.000 4.308 4.308 4.308 . 0 0 "[ ]" 2
588 1 28 SER HA 1 30 GLU H . . 5.400 4.856 4.856 4.856 . 0 0 "[ ]" 2
589 1 28 SER HA 1 31 GLU H . . 5.500 4.558 4.558 4.558 . 0 0 "[ ]" 2
590 1 28 SER HB2 1 29 LYS H . . 3.800 3.476 3.476 3.476 . 0 0 "[ ]" 2
591 1 28 SER HB2 1 30 GLU H . . 5.800 3.641 3.641 3.641 . 0 0 "[ ]" 2
592 1 28 SER HB2 1 31 GLU H . . 6.900 2.338 2.338 2.338 . 0 0 "[ ]" 2
593 1 28 SER HB2 1 31 GLU HB3 . . 7.000 3.782 3.782 3.782 . 0 0 "[ ]" 2
594 1 28 SER HB3 1 29 LYS H . . 3.100 2.269 2.269 2.269 . 0 0 "[ ]" 2
595 1 28 SER HB3 1 30 GLU H . . 5.800 3.220 3.220 3.220 . 0 0 "[ ]" 2
596 1 28 SER HB3 1 31 GLU H . . 7.000 3.356 3.356 3.356 . 0 0 "[ ]" 2
597 1 29 LYS H 1 29 LYS HB2 . . 2.900 2.283 2.283 2.283 . 0 0 "[ ]" 2
598 1 29 LYS H 1 29 LYS HB3 . . 3.100 2.654 2.654 2.654 . 0 0 "[ ]" 2
599 1 29 LYS H 1 30 GLU H . . 3.300 2.849 2.849 2.849 . 0 0 "[ ]" 2
600 1 29 LYS H 1 31 GLU H . . 7.000 3.995 3.995 3.995 . 0 0 "[ ]" 2
601 1 29 LYS H 1 32 LEU H . . 7.000 4.606 4.606 4.606 . 0 0 "[ ]" 2
602 1 29 LYS H 1 54 PHE HA . . 5.900 5.863 5.863 5.863 . 0 0 "[ ]" 2
603 1 29 LYS HA 1 29 LYS HB2 . . 2.800 2.548 2.548 2.548 . 0 0 "[ ]" 2
604 1 29 LYS HA 1 29 LYS HG2 . . 4.100 2.500 2.500 2.500 . 0 0 "[ ]" 2
605 1 29 LYS HA 1 29 LYS HG3 . . 3.900 2.757 2.757 2.757 . 0 0 "[ ]" 2
606 1 29 LYS HA 1 29 LYS QE . . 5.600 4.526 4.526 4.526 . 0 0 "[ ]" 2
607 1 29 LYS HA 1 30 GLU H . . 4.200 3.636 3.636 3.636 . 0 0 "[ ]" 2
608 1 29 LYS HA 1 31 GLU H . . 7.000 4.547 4.547 4.547 . 0 0 "[ ]" 2
609 1 29 LYS HA 1 32 LEU H . . 4.400 3.854 3.854 3.854 . 0 0 "[ ]" 2
610 1 29 LYS HA 1 32 LEU HB3 . . 4.000 3.365 3.365 3.365 . 0 0 "[ ]" 2
611 1 29 LYS HA 1 32 LEU MD1 . . 8.000 5.787 5.787 5.787 . 0 0 "[ ]" 2
612 1 29 LYS HA 1 32 LEU MD2 . . 7.200 4.445 4.445 4.445 . 0 0 "[ ]" 2
613 1 29 LYS HA 1 33 LYS H . . 6.200 3.625 3.625 3.625 . 0 0 "[ ]" 2
614 1 29 LYS HA 1 50 LEU MD1 . . 8.000 2.823 2.823 2.823 . 0 0 "[ ]" 2
615 1 29 LYS HA 1 50 LEU MD2 . . 8.000 5.048 5.048 5.048 . 0 0 "[ ]" 2
616 1 29 LYS HA 1 54 PHE HA . . 5.000 4.477 4.477 4.477 . 0 0 "[ ]" 2
617 1 29 LYS HA 1 54 PHE HB2 . . 5.700 3.544 3.544 3.544 . 0 0 "[ ]" 2
618 1 29 LYS HA 1 54 PHE HB3 . . 5.200 5.185 5.185 5.185 . 0 0 "[ ]" 2
619 1 29 LYS HA 1 54 PHE QD . . 6.500 2.246 2.246 2.246 . 0 0 "[ ]" 2
620 1 29 LYS HB2 1 30 GLU H . . 3.700 3.678 3.678 3.678 . 0 0 "[ ]" 2
621 1 29 LYS HB2 1 54 PHE QD . . 7.600 2.282 2.282 2.282 . 0 0 "[ ]" 2
622 1 29 LYS HB3 1 29 LYS QE . . 4.600 3.753 3.753 3.753 . 0 0 "[ ]" 2
623 1 29 LYS HB3 1 30 GLU H . . 3.300 2.387 2.387 2.387 . 0 0 "[ ]" 2
624 1 29 LYS HG2 1 30 GLU HA . . 5.500 4.180 4.180 4.180 . 0 0 "[ ]" 2
625 1 29 LYS HG2 1 33 LYS H . . 6.000 4.255 4.255 4.255 . 0 0 "[ ]" 2
626 1 29 LYS HG2 1 33 LYS HB2 . . 5.000 3.323 3.323 3.323 . 0 0 "[ ]" 2
627 1 29 LYS HG2 1 33 LYS HB3 . . 4.900 4.769 4.769 4.769 . 0 0 "[ ]" 2
628 1 29 LYS HG2 1 50 LEU MD1 . . 3.900 1.881 1.881 1.881 . 0 0 "[ ]" 2
629 1 29 LYS HG2 1 50 LEU MD2 . . 4.600 3.842 3.842 3.842 . 0 0 "[ ]" 2
630 1 29 LYS HG2 1 54 PHE HB3 . . 7.000 5.147 5.147 5.147 . 0 0 "[ ]" 2
631 1 29 LYS HG2 1 54 PHE QD . . 5.500 3.857 3.857 3.857 . 0 0 "[ ]" 2
632 1 29 LYS HG3 1 30 GLU H . . 7.000 4.959 4.959 4.959 . 0 0 "[ ]" 2
633 1 29 LYS HG3 1 50 LEU MD1 . . 5.200 2.040 2.040 2.040 . 0 0 "[ ]" 2
634 1 29 LYS HG3 1 50 LEU MD2 . . 6.800 4.777 4.777 4.777 . 0 0 "[ ]" 2
635 1 29 LYS HG3 1 51 ASP HA . . 7.000 3.226 3.226 3.226 . 0 0 "[ ]" 2
636 1 29 LYS QE 1 50 LEU MD1 . . 9.000 2.703 2.703 2.703 . 0 0 "[ ]" 2
637 1 29 LYS QE 1 50 LEU MD2 . . 9.000 4.461 4.461 4.461 . 0 0 "[ ]" 2
638 1 30 GLU H 1 30 GLU HB2 . . 3.000 2.021 2.021 2.021 . 0 0 "[ ]" 2
639 1 30 GLU H 1 30 GLU HB3 . . 3.200 3.222 3.222 3.222 0.022 1 0 "[ ]" 2
640 1 30 GLU H 1 30 GLU HG2 . . 3.900 3.866 3.866 3.866 . 0 0 "[ ]" 2
641 1 30 GLU H 1 30 GLU HG3 . . 4.100 3.681 3.681 3.681 . 0 0 "[ ]" 2
642 1 30 GLU H 1 31 GLU H . . 3.100 2.702 2.702 2.702 . 0 0 "[ ]" 2
643 1 30 GLU H 1 32 LEU H . . 5.600 4.563 4.563 4.563 . 0 0 "[ ]" 2
644 1 30 GLU H 1 33 LYS H . . 5.100 4.556 4.556 4.556 . 0 0 "[ ]" 2
645 1 30 GLU HA 1 30 GLU HB2 . . 3.100 2.867 2.867 2.867 . 0 0 "[ ]" 2
646 1 30 GLU HA 1 31 GLU H . . 4.400 3.603 3.603 3.603 . 0 0 "[ ]" 2
647 1 30 GLU HA 1 32 LEU H . . 6.000 4.988 4.988 4.988 . 0 0 "[ ]" 2
648 1 30 GLU HA 1 33 LYS H . . 4.500 3.614 3.614 3.614 . 0 0 "[ ]" 2
649 1 30 GLU HA 1 33 LYS HB2 . . 3.700 2.965 2.965 2.965 . 0 0 "[ ]" 2
650 1 30 GLU HA 1 33 LYS HB3 . . 4.000 2.455 2.455 2.455 . 0 0 "[ ]" 2
651 1 30 GLU HB2 1 30 GLU HG3 . . 3.100 2.272 2.272 2.272 . 0 0 "[ ]" 2
652 1 30 GLU HB2 1 31 GLU H . . 3.700 3.220 3.220 3.220 . 0 0 "[ ]" 2
653 1 30 GLU HB3 1 30 GLU HG2 . . 3.100 2.849 2.849 2.849 . 0 0 "[ ]" 2
654 1 30 GLU HB3 1 31 GLU H . . 3.400 2.990 2.990 2.990 . 0 0 "[ ]" 2
655 1 30 GLU HG2 1 31 GLU H . . 7.000 4.932 4.932 4.932 . 0 0 "[ ]" 2
656 1 30 GLU HG3 1 31 GLU H . . 5.200 5.226 5.226 5.226 0.026 1 0 "[ ]" 2
657 1 31 GLU H 1 31 GLU HB2 . . 3.100 2.105 2.105 2.105 . 0 0 "[ ]" 2
658 1 31 GLU H 1 31 GLU HB3 . . 3.600 3.411 3.411 3.411 . 0 0 "[ ]" 2
659 1 31 GLU H 1 31 GLU HG3 . . 3.600 3.083 3.083 3.083 . 0 0 "[ ]" 2
660 1 31 GLU H 1 31 GLU HG2 . . 3.600 3.665 3.665 3.665 0.065 1 0 "[ ]" 2
661 1 31 GLU H 1 32 LEU H . . 3.000 2.865 2.865 2.865 . 0 0 "[ ]" 2
662 1 31 GLU H 1 33 LYS H . . 5.000 3.979 3.979 3.979 . 0 0 "[ ]" 2
663 1 31 GLU HA 1 31 GLU HG3 . . 3.400 3.033 3.033 3.033 . 0 0 "[ ]" 2
664 1 31 GLU HA 1 31 GLU HG2 . . 3.500 2.054 2.054 2.054 . 0 0 "[ ]" 2
665 1 31 GLU HA 1 32 LEU H . . 3.900 3.644 3.644 3.644 . 0 0 "[ ]" 2
666 1 31 GLU HA 1 33 LYS H . . 5.600 4.524 4.524 4.524 . 0 0 "[ ]" 2
667 1 31 GLU HA 1 34 LEU H . . 4.400 3.755 3.755 3.755 . 0 0 "[ ]" 2
668 1 31 GLU HA 1 34 LEU HB2 . . 4.000 3.685 3.685 3.685 . 0 0 "[ ]" 2
669 1 31 GLU HA 1 34 LEU HG . . 4.400 3.128 3.128 3.128 . 0 0 "[ ]" 2
670 1 31 GLU HA 1 34 LEU MD1 . . 7.000 3.613 3.613 3.613 . 0 0 "[ ]" 2
671 1 31 GLU HA 1 35 LEU H . . 5.300 4.760 4.760 4.760 . 0 0 "[ ]" 2
672 1 31 GLU HB2 1 31 GLU HG2 . . 2.800 3.003 3.003 3.003 0.203 1 0 "[ ]" 2
673 1 31 GLU HB2 1 32 LEU H . . 3.300 2.637 2.637 2.637 . 0 0 "[ ]" 2
674 1 31 GLU HB3 1 32 LEU H . . 4.400 2.832 2.832 2.832 . 0 0 "[ ]" 2
675 1 31 GLU HB3 1 34 LEU MD1 . . 8.000 5.631 5.631 5.631 . 0 0 "[ ]" 2
676 1 31 GLU HB3 1 34 LEU MD2 . . 8.000 6.706 6.706 6.706 . 0 0 "[ ]" 2
677 1 31 GLU HG3 1 34 LEU MD1 . . 8.000 5.539 5.539 5.539 . 0 0 "[ ]" 2
678 1 31 GLU HG3 1 35 LEU MD1 . . 8.000 7.659 7.659 7.659 . 0 0 "[ ]" 2
679 1 32 LEU H 1 32 LEU HB3 . . 2.900 2.827 2.827 2.827 . 0 0 "[ ]" 2
680 1 32 LEU H 1 32 LEU MD1 . . 4.600 3.658 3.658 3.658 . 0 0 "[ ]" 2
681 1 32 LEU H 1 32 LEU MD2 . . 4.800 3.920 3.920 3.920 . 0 0 "[ ]" 2
682 1 32 LEU H 1 33 LYS H . . 3.000 2.758 2.758 2.758 . 0 0 "[ ]" 2
683 1 32 LEU H 1 34 LEU H . . 5.300 4.536 4.536 4.536 . 0 0 "[ ]" 2
684 1 32 LEU H 1 35 LEU H . . 7.000 5.010 5.010 5.010 . 0 0 "[ ]" 2
685 1 32 LEU H 1 54 PHE QD . . 9.000 5.406 5.406 5.406 . 0 0 "[ ]" 2
686 1 32 LEU HA 1 32 LEU MD1 . . 4.500 1.803 1.803 1.803 . 0 0 "[ ]" 2
687 1 32 LEU HA 1 32 LEU MD2 . . 4.400 3.629 3.629 3.629 . 0 0 "[ ]" 2
688 1 32 LEU HA 1 33 LYS H . . 4.200 3.608 3.608 3.608 . 0 0 "[ ]" 2
689 1 32 LEU HA 1 33 LYS HA . . 5.500 4.919 4.919 4.919 . 0 0 "[ ]" 2
690 1 32 LEU HA 1 34 LEU H . . 6.400 4.410 4.410 4.410 . 0 0 "[ ]" 2
691 1 32 LEU HA 1 35 LEU H . . 3.600 3.240 3.240 3.240 . 0 0 "[ ]" 2
692 1 32 LEU HA 1 35 LEU HB2 . . 3.800 3.030 3.030 3.030 . 0 0 "[ ]" 2
693 1 32 LEU HA 1 35 LEU HB3 . . 3.600 2.820 2.820 2.820 . 0 0 "[ ]" 2
694 1 32 LEU HA 1 35 LEU MD1 . . 6.300 4.035 4.035 4.035 . 0 0 "[ ]" 2
695 1 32 LEU HA 1 35 LEU MD2 . . 6.400 3.919 3.919 3.919 . 0 0 "[ ]" 2
696 1 32 LEU HA 1 36 LEU H . . 4.300 3.622 3.622 3.622 . 0 0 "[ ]" 2
697 1 32 LEU HB2 1 33 LYS H . . 4.300 3.641 3.641 3.641 . 0 0 "[ ]" 2
698 1 32 LEU HB3 1 32 LEU HG . . 2.600 2.306 2.306 2.306 . 0 0 "[ ]" 2
699 1 32 LEU HB3 1 32 LEU MD1 . . 3.500 3.172 3.172 3.172 . 0 0 "[ ]" 2
700 1 32 LEU HB3 1 32 LEU MD2 . . 3.600 2.642 2.642 2.642 . 0 0 "[ ]" 2
701 1 32 LEU HB3 1 33 LYS H . . 3.600 2.702 2.702 2.702 . 0 0 "[ ]" 2
702 1 32 LEU HB3 1 35 LEU H . . 6.500 5.474 5.474 5.474 . 0 0 "[ ]" 2
703 1 32 LEU HB3 1 36 LEU HG . . 4.900 3.639 3.639 3.639 . 0 0 "[ ]" 2
704 1 32 LEU HG 1 33 LYS H . . 7.000 4.519 4.519 4.519 . 0 0 "[ ]" 2
705 1 32 LEU HG 1 35 LEU HB3 . . 5.500 4.012 4.012 4.012 . 0 0 "[ ]" 2
706 1 32 LEU HG 1 36 LEU H . . 6.500 3.822 3.822 3.822 . 0 0 "[ ]" 2
707 1 32 LEU HG 1 36 LEU HB2 . . 4.600 4.434 4.434 4.434 . 0 0 "[ ]" 2
708 1 32 LEU HG 1 36 LEU HB3 . . 4.900 4.912 4.912 4.912 0.012 1 0 "[ ]" 2
709 1 32 LEU HG 1 36 LEU HG . . 2.900 2.231 2.231 2.231 . 0 0 "[ ]" 2
710 1 32 LEU HG 1 36 LEU MD1 . . 8.000 1.963 1.963 1.963 . 0 0 "[ ]" 2
711 1 32 LEU MD1 1 33 LYS H . . 8.000 4.483 4.483 4.483 . 0 0 "[ ]" 2
712 1 32 LEU MD2 1 33 LYS H . . 8.000 4.850 4.850 4.850 . 0 0 "[ ]" 2
713 1 33 LYS H 1 33 LYS HA . . 3.100 2.684 2.684 2.684 . 0 0 "[ ]" 2
714 1 33 LYS H 1 33 LYS HB2 . . 2.900 2.401 2.401 2.401 . 0 0 "[ ]" 2
715 1 33 LYS H 1 33 LYS HB3 . . 3.000 2.551 2.551 2.551 . 0 0 "[ ]" 2
716 1 33 LYS H 1 33 LYS HG2 . . 5.000 4.513 4.513 4.513 . 0 0 "[ ]" 2
717 1 33 LYS H 1 33 LYS HG3 . . 4.300 4.337 4.337 4.337 0.037 1 0 "[ ]" 2
718 1 33 LYS H 1 33 LYS QD . . 5.600 4.267 4.267 4.267 . 0 0 "[ ]" 2
719 1 33 LYS H 1 34 LEU H . . 3.100 3.051 3.051 3.051 . 0 0 "[ ]" 2
720 1 33 LYS H 1 34 LEU HG . . 6.600 4.787 4.787 4.787 . 0 0 "[ ]" 2
721 1 33 LYS H 1 35 LEU H . . 5.100 4.545 4.545 4.545 . 0 0 "[ ]" 2
722 1 33 LYS H 1 35 LEU MD2 . . 8.000 6.528 6.528 6.528 . 0 0 "[ ]" 2
723 1 33 LYS H 1 36 LEU H . . 5.300 4.733 4.733 4.733 . 0 0 "[ ]" 2
724 1 33 LYS H 1 36 LEU MD2 . . 8.000 5.855 5.855 5.855 . 0 0 "[ ]" 2
725 1 33 LYS H 1 50 LEU HG . . 7.000 4.924 4.924 4.924 . 0 0 "[ ]" 2
726 1 33 LYS H 1 50 LEU MD1 . . 7.900 3.243 3.243 3.243 . 0 0 "[ ]" 2
727 1 33 LYS H 1 50 LEU MD2 . . 7.600 4.032 4.032 4.032 . 0 0 "[ ]" 2
728 1 33 LYS HA 1 33 LYS HB2 . . 2.800 2.438 2.438 2.438 . 0 0 "[ ]" 2
729 1 33 LYS HA 1 33 LYS HG2 . . 3.900 3.430 3.430 3.430 . 0 0 "[ ]" 2
730 1 33 LYS HA 1 33 LYS HG3 . . 3.500 2.382 2.382 2.382 . 0 0 "[ ]" 2
731 1 33 LYS HA 1 34 LEU H . . 3.900 3.633 3.633 3.633 . 0 0 "[ ]" 2
732 1 33 LYS HA 1 34 LEU HA . . 5.500 4.812 4.812 4.812 . 0 0 "[ ]" 2
733 1 33 LYS HA 1 35 LEU H . . 7.000 4.832 4.832 4.832 . 0 0 "[ ]" 2
734 1 33 LYS HA 1 36 LEU H . . 4.300 3.796 3.796 3.796 . 0 0 "[ ]" 2
735 1 33 LYS HA 1 36 LEU MD1 . . 6.400 2.869 2.869 2.869 . 0 0 "[ ]" 2
736 1 33 LYS HA 1 37 GLN H . . 5.200 4.292 4.292 4.292 . 0 0 "[ ]" 2
737 1 33 LYS HA 1 44 LEU MD1 . . 7.800 3.974 3.974 3.974 . 0 0 "[ ]" 2
738 1 33 LYS HA 1 50 LEU MD1 . . 6.500 3.105 3.105 3.105 . 0 0 "[ ]" 2
739 1 33 LYS HA 1 50 LEU MD2 . . 6.700 2.412 2.412 2.412 . 0 0 "[ ]" 2
740 1 33 LYS HB2 1 33 LYS HG3 . . 3.100 2.703 2.703 2.703 . 0 0 "[ ]" 2
741 1 33 LYS HB2 1 34 LEU H . . 3.700 3.866 3.866 3.866 0.166 1 0 "[ ]" 2
742 1 33 LYS HB2 1 50 LEU MD1 . . 6.900 2.556 2.556 2.556 . 0 0 "[ ]" 2
743 1 33 LYS HB2 1 50 LEU MD2 . . 6.000 2.421 2.421 2.421 . 0 0 "[ ]" 2
744 1 33 LYS HB3 1 34 LEU H . . 3.300 2.486 2.486 2.486 . 0 0 "[ ]" 2
745 1 33 LYS HB3 1 50 LEU MD1 . . 7.500 4.088 4.088 4.088 . 0 0 "[ ]" 2
746 1 33 LYS HB3 1 50 LEU MD2 . . 8.000 3.653 3.653 3.653 . 0 0 "[ ]" 2
747 1 33 LYS HG2 1 34 LEU H . . 7.000 3.588 3.588 3.588 . 0 0 "[ ]" 2
748 1 33 LYS HG2 1 34 LEU HA . . 7.000 3.766 3.766 3.766 . 0 0 "[ ]" 2
749 1 33 LYS HG2 1 34 LEU HG . . 4.600 4.626 4.626 4.626 0.026 1 0 "[ ]" 2
750 1 33 LYS HG2 1 34 LEU MD1 . . 8.000 5.482 5.482 5.482 . 0 0 "[ ]" 2
751 1 33 LYS HG2 1 34 LEU MD2 . . 7.900 2.733 2.733 2.733 . 0 0 "[ ]" 2
752 1 33 LYS HG2 1 50 LEU MD1 . . 6.100 4.965 4.965 4.965 . 0 0 "[ ]" 2
753 1 33 LYS HG2 1 50 LEU MD2 . . 5.900 3.340 3.340 3.340 . 0 0 "[ ]" 2
754 1 33 LYS HG3 1 44 LEU MD1 . . 8.000 3.502 3.502 3.502 . 0 0 "[ ]" 2
755 1 33 LYS HG3 1 44 LEU MD2 . . 8.000 3.526 3.526 3.526 . 0 0 "[ ]" 2
756 1 33 LYS HG3 1 50 LEU MD1 . . 8.000 4.017 4.017 4.017 . 0 0 "[ ]" 2
757 1 33 LYS HG3 1 50 LEU MD2 . . 6.100 1.960 1.960 1.960 . 0 0 "[ ]" 2
758 1 33 LYS QD 1 34 LEU H . . 7.500 4.898 4.898 4.898 . 0 0 "[ ]" 2
759 1 33 LYS QE 1 50 LEU MD1 . . 9.000 5.140 5.140 5.140 . 0 0 "[ ]" 2
760 1 33 LYS QE 1 50 LEU MD2 . . 9.000 3.585 3.585 3.585 . 0 0 "[ ]" 2
761 1 34 LEU H 1 34 LEU HA . . 3.100 2.750 2.750 2.750 . 0 0 "[ ]" 2
762 1 34 LEU H 1 34 LEU HB2 . . 3.300 2.516 2.516 2.516 . 0 0 "[ ]" 2
763 1 34 LEU H 1 34 LEU HB3 . . 3.800 3.535 3.535 3.535 . 0 0 "[ ]" 2
764 1 34 LEU H 1 34 LEU HG . . 3.200 2.239 2.239 2.239 . 0 0 "[ ]" 2
765 1 34 LEU H 1 34 LEU MD1 . . 5.000 3.789 3.789 3.789 . 0 0 "[ ]" 2
766 1 34 LEU H 1 34 LEU MD2 . . 4.900 2.535 2.535 2.535 . 0 0 "[ ]" 2
767 1 34 LEU H 1 35 LEU H . . 3.100 2.931 2.931 2.931 . 0 0 "[ ]" 2
768 1 34 LEU H 1 36 LEU H . . 6.600 4.564 4.564 4.564 . 0 0 "[ ]" 2
769 1 34 LEU HA 1 34 LEU HG . . 3.500 3.386 3.386 3.386 . 0 0 "[ ]" 2
770 1 34 LEU HA 1 34 LEU MD1 . . 4.400 3.697 3.697 3.697 . 0 0 "[ ]" 2
771 1 34 LEU HA 1 34 LEU MD2 . . 4.700 1.991 1.991 1.991 . 0 0 "[ ]" 2
772 1 34 LEU HA 1 35 LEU H . . 4.000 3.636 3.636 3.636 . 0 0 "[ ]" 2
773 1 34 LEU HA 1 36 LEU H . . 7.000 5.006 5.006 5.006 . 0 0 "[ ]" 2
774 1 34 LEU HA 1 37 GLN H . . 4.100 3.450 3.450 3.450 . 0 0 "[ ]" 2
775 1 34 LEU HA 1 37 GLN HB2 . . 4.100 2.266 2.266 2.266 . 0 0 "[ ]" 2
776 1 34 LEU HA 1 37 GLN HB3 . . 3.800 3.203 3.203 3.203 . 0 0 "[ ]" 2
777 1 34 LEU HB2 1 35 LEU H . . 3.300 2.376 2.376 2.376 . 0 0 "[ ]" 2
778 1 34 LEU HB2 1 35 LEU HA . . 4.400 4.249 4.249 4.249 . 0 0 "[ ]" 2
779 1 34 LEU HB3 1 35 LEU H . . 3.400 3.473 3.473 3.473 0.073 1 0 "[ ]" 2
780 1 34 LEU HB3 1 35 LEU HA . . 5.000 4.404 4.404 4.404 . 0 0 "[ ]" 2
781 1 34 LEU HG 1 35 LEU H . . 4.200 4.226 4.226 4.226 0.026 1 0 "[ ]" 2
782 1 34 LEU MD1 1 35 LEU H . . 8.000 4.516 4.516 4.516 . 0 0 "[ ]" 2
783 1 34 LEU MD1 1 37 GLN HE21 . . 8.000 5.398 5.398 5.398 . 0 0 "[ ]" 2
784 1 34 LEU MD1 1 37 GLN HE22 . . 8.000 4.924 4.924 4.924 . 0 0 "[ ]" 2
785 1 34 LEU MD2 1 35 LEU H . . 8.000 4.443 4.443 4.443 . 0 0 "[ ]" 2
786 1 34 LEU MD2 1 37 GLN HE21 . . 8.000 2.854 2.854 2.854 . 0 0 "[ ]" 2
787 1 34 LEU MD2 1 37 GLN HE22 . . 8.000 2.681 2.681 2.681 . 0 0 "[ ]" 2
788 1 35 LEU H 1 35 LEU HB2 . . 2.900 2.153 2.153 2.153 . 0 0 "[ ]" 2
789 1 35 LEU H 1 35 LEU HB3 . . 2.800 2.759 2.759 2.759 . 0 0 "[ ]" 2
790 1 35 LEU H 1 35 LEU HG . . 4.300 4.271 4.271 4.271 . 0 0 "[ ]" 2
791 1 35 LEU H 1 35 LEU MD1 . . 5.100 3.812 3.812 3.812 . 0 0 "[ ]" 2
792 1 35 LEU H 1 35 LEU MD2 . . 5.400 4.315 4.315 4.315 . 0 0 "[ ]" 2
793 1 35 LEU H 1 36 LEU H . . 3.500 3.023 3.023 3.023 . 0 0 "[ ]" 2
794 1 35 LEU H 1 37 GLN H . . 5.700 3.775 3.775 3.775 . 0 0 "[ ]" 2
795 1 35 LEU HA 1 35 LEU HB2 . . 3.000 2.582 2.582 2.582 . 0 0 "[ ]" 2
796 1 35 LEU HA 1 35 LEU HG . . 2.900 2.269 2.269 2.269 . 0 0 "[ ]" 2
797 1 35 LEU HA 1 35 LEU MD2 . . 4.700 3.524 3.524 3.524 . 0 0 "[ ]" 2
798 1 35 LEU HA 1 36 LEU H . . 4.400 3.640 3.640 3.640 . 0 0 "[ ]" 2
799 1 35 LEU HA 1 38 THR HB . . 3.700 3.746 3.746 3.746 0.046 1 0 "[ ]" 2
800 1 35 LEU HA 1 39 GLU H . . 4.200 2.962 2.962 2.962 . 0 0 "[ ]" 2
801 1 35 LEU HA 1 39 GLU HB2 . . 3.400 3.357 3.357 3.357 . 0 0 "[ ]" 2
802 1 35 LEU HA 1 39 GLU HB3 . . 3.600 3.703 3.703 3.703 0.103 1 0 "[ ]" 2
803 1 35 LEU HB2 1 36 LEU H . . 3.400 3.526 3.526 3.526 0.126 1 0 "[ ]" 2
804 1 35 LEU HB2 1 37 GLN H . . 6.400 5.076 5.076 5.076 . 0 0 "[ ]" 2
805 1 35 LEU HB3 1 36 LEU H . . 2.900 2.223 2.223 2.223 . 0 0 "[ ]" 2
806 1 35 LEU MD1 1 36 LEU H . . 8.000 4.703 4.703 4.703 . 0 0 "[ ]" 2
807 1 35 LEU MD1 1 70 PHE QD . . 10.000 4.609 4.609 4.609 . 0 0 "[ ]" 2
808 1 35 LEU MD1 1 70 PHE QE . . 8.100 3.298 3.298 3.298 . 0 0 "[ ]" 2
809 1 35 LEU MD2 1 39 GLU H . . 8.000 3.968 3.968 3.968 . 0 0 "[ ]" 2
810 1 35 LEU MD2 1 39 GLU HB2 . . 6.800 2.144 2.144 2.144 . 0 0 "[ ]" 2
811 1 35 LEU MD2 1 39 GLU HB3 . . 6.700 2.241 2.241 2.241 . 0 0 "[ ]" 2
812 1 35 LEU MD2 1 40 PHE QE . . 10.000 4.949 4.949 4.949 . 0 0 "[ ]" 2
813 1 35 LEU MD2 1 70 PHE QD . . 9.400 3.766 3.766 3.766 . 0 0 "[ ]" 2
814 1 35 LEU MD2 1 70 PHE QE . . 10.000 1.820 1.820 1.820 . 0 0 "[ ]" 2
815 1 36 LEU H 1 36 LEU HA . . 3.100 2.726 2.726 2.726 . 0 0 "[ ]" 2
816 1 36 LEU H 1 36 LEU HB2 . . 2.800 2.585 2.585 2.585 . 0 0 "[ ]" 2
817 1 36 LEU H 1 36 LEU HB3 . . 3.800 3.534 3.534 3.534 . 0 0 "[ ]" 2
818 1 36 LEU H 1 36 LEU HG . . 3.100 1.933 1.933 1.933 . 0 0 "[ ]" 2
819 1 36 LEU H 1 36 LEU MD1 . . 4.300 3.423 3.423 3.423 . 0 0 "[ ]" 2
820 1 36 LEU H 1 36 LEU MD2 . . 3.800 3.158 3.158 3.158 . 0 0 "[ ]" 2
821 1 36 LEU H 1 37 GLN H . . 3.000 2.783 2.783 2.783 . 0 0 "[ ]" 2
822 1 36 LEU H 1 38 THR H . . 6.600 4.948 4.948 4.948 . 0 0 "[ ]" 2
823 1 36 LEU H 1 38 THR MG . . 8.000 6.594 6.594 6.594 . 0 0 "[ ]" 2
824 1 36 LEU H 1 39 GLU HB2 . . 5.600 4.990 4.990 4.990 . 0 0 "[ ]" 2
825 1 36 LEU H 1 44 LEU MD1 . . 8.000 4.687 4.687 4.687 . 0 0 "[ ]" 2
826 1 36 LEU HA 1 36 LEU HG . . 3.700 3.078 3.078 3.078 . 0 0 "[ ]" 2
827 1 36 LEU HA 1 36 LEU MD2 . . 3.300 2.152 2.152 2.152 . 0 0 "[ ]" 2
828 1 36 LEU HA 1 37 GLN H . . 3.900 3.498 3.498 3.498 . 0 0 "[ ]" 2
829 1 36 LEU HA 1 39 GLU H . . 5.400 4.219 4.219 4.219 . 0 0 "[ ]" 2
830 1 36 LEU HA 1 40 PHE H . . 3.300 2.519 2.519 2.519 . 0 0 "[ ]" 2
831 1 36 LEU HA 1 40 PHE HB2 . . 3.900 3.265 3.265 3.265 . 0 0 "[ ]" 2
832 1 36 LEU HA 1 40 PHE HB3 . . 5.400 4.712 4.712 4.712 . 0 0 "[ ]" 2
833 1 36 LEU HA 1 40 PHE QD . . 7.700 4.417 4.417 4.417 . 0 0 "[ ]" 2
834 1 36 LEU HA 1 41 PRO HA . . 5.200 4.917 4.917 4.917 . 0 0 "[ ]" 2
835 1 36 LEU HB2 1 36 LEU HG . . 2.700 2.520 2.520 2.520 . 0 0 "[ ]" 2
836 1 36 LEU HB2 1 36 LEU MD1 . . 3.500 2.174 2.174 2.174 . 0 0 "[ ]" 2
837 1 36 LEU HB2 1 37 GLN H . . 3.300 3.180 3.180 3.180 . 0 0 "[ ]" 2
838 1 36 LEU HB2 1 41 PRO HA . . 7.000 5.290 5.290 5.290 . 0 0 "[ ]" 2
839 1 36 LEU HB3 1 36 LEU MD1 . . 3.500 2.471 2.471 2.471 . 0 0 "[ ]" 2
840 1 36 LEU HB3 1 37 GLN H . . 4.100 4.157 4.157 4.157 0.057 1 0 "[ ]" 2
841 1 36 LEU HB3 1 41 PRO HA . . 7.000 4.561 4.561 4.561 . 0 0 "[ ]" 2
842 1 36 LEU HB3 1 44 LEU H . . 7.000 4.661 4.661 4.661 . 0 0 "[ ]" 2
843 1 36 LEU HB3 1 44 LEU HB3 . . 7.000 5.224 5.224 5.224 . 0 0 "[ ]" 2
844 1 36 LEU HG 1 73 LEU MD2 . . 8.000 4.089 4.089 4.089 . 0 0 "[ ]" 2
845 1 36 LEU MD1 1 37 GLN H . . 8.000 4.846 4.846 4.846 . 0 0 "[ ]" 2
846 1 36 LEU MD1 1 40 PHE QD . . 10.000 6.391 6.391 6.391 . 0 0 "[ ]" 2
847 1 36 LEU MD1 1 44 LEU HB2 . . 8.000 5.916 5.916 5.916 . 0 0 "[ ]" 2
848 1 36 LEU MD1 1 44 LEU HB3 . . 8.000 5.435 5.435 5.435 . 0 0 "[ ]" 2
849 1 36 LEU MD2 1 37 GLN H . . 8.000 4.820 4.820 4.820 . 0 0 "[ ]" 2
850 1 36 LEU MD2 1 40 PHE H . . 7.500 3.989 3.989 3.989 . 0 0 "[ ]" 2
851 1 36 LEU MD2 1 40 PHE HB2 . . 5.400 3.252 3.252 3.252 . 0 0 "[ ]" 2
852 1 36 LEU MD2 1 40 PHE HB3 . . 6.900 4.443 4.443 4.443 . 0 0 "[ ]" 2
853 1 36 LEU MD2 1 40 PHE QD . . 8.000 3.931 3.931 3.931 . 0 0 "[ ]" 2
854 1 36 LEU MD2 1 73 LEU MD1 . . 5.600 3.664 3.664 3.664 . 0 0 "[ ]" 2
855 1 36 LEU MD2 1 73 LEU MD2 . . 5.500 1.835 1.835 1.835 . 0 0 "[ ]" 2
856 1 37 GLN H 1 37 GLN HB2 . . 3.200 2.110 2.110 2.110 . 0 0 "[ ]" 2
857 1 37 GLN H 1 37 GLN HB3 . . 4.000 2.977 2.977 2.977 . 0 0 "[ ]" 2
858 1 37 GLN H 1 37 GLN HG2 . . 5.100 4.446 4.446 4.446 . 0 0 "[ ]" 2
859 1 37 GLN H 1 37 GLN HG3 . . 3.900 3.956 3.956 3.956 0.056 1 0 "[ ]" 2
860 1 37 GLN H 1 37 GLN HE21 . . 6.200 4.520 4.520 4.520 . 0 0 "[ ]" 2
861 1 37 GLN H 1 38 THR H . . 3.200 2.804 2.804 2.804 . 0 0 "[ ]" 2
862 1 37 GLN H 1 39 GLU H . . 4.500 3.950 3.950 3.950 . 0 0 "[ ]" 2
863 1 37 GLN H 1 44 LEU MD1 . . 6.800 3.414 3.414 3.414 . 0 0 "[ ]" 2
864 1 37 GLN HA 1 37 GLN HG2 . . 3.800 2.526 2.526 2.526 . 0 0 "[ ]" 2
865 1 37 GLN HA 1 38 THR H . . 3.900 3.645 3.645 3.645 . 0 0 "[ ]" 2
866 1 37 GLN HA 1 41 PRO HA . . 3.100 3.039 3.039 3.039 . 0 0 "[ ]" 2
867 1 37 GLN HA 1 41 PRO HB2 . . 6.200 4.463 4.463 4.463 . 0 0 "[ ]" 2
868 1 37 GLN HA 1 41 PRO HB3 . . 6.800 2.889 2.889 2.889 . 0 0 "[ ]" 2
869 1 37 GLN HA 1 44 LEU MD1 . . 6.500 1.976 1.976 1.976 . 0 0 "[ ]" 2
870 1 37 GLN HB2 1 37 GLN HG2 . . 3.100 3.054 3.054 3.054 . 0 0 "[ ]" 2
871 1 37 GLN HB2 1 38 THR H . . 3.500 3.199 3.199 3.199 . 0 0 "[ ]" 2
872 1 37 GLN HB3 1 38 THR H . . 3.700 2.230 2.230 2.230 . 0 0 "[ ]" 2
873 1 37 GLN HG2 1 38 THR H . . 7.000 4.302 4.302 4.302 . 0 0 "[ ]" 2
874 1 37 GLN HG2 1 41 PRO HA . . 5.900 4.903 4.903 4.903 . 0 0 "[ ]" 2
875 1 37 GLN HG2 1 44 LEU MD1 . . 8.000 3.580 3.580 3.580 . 0 0 "[ ]" 2
876 1 37 GLN HE22 1 37 GLN HG3 . . 4.300 3.541 3.541 3.541 . 0 0 "[ ]" 2
877 1 37 GLN HG3 1 38 THR H . . 7.000 4.884 4.884 4.884 . 0 0 "[ ]" 2
878 1 37 GLN HG3 1 41 PRO HA . . 7.000 5.004 5.004 5.004 . 0 0 "[ ]" 2
879 1 37 GLN HG3 1 44 LEU MD1 . . 7.500 2.816 2.816 2.816 . 0 0 "[ ]" 2
880 1 37 GLN HE21 1 44 LEU MD1 . . 8.000 4.181 4.181 4.181 . 0 0 "[ ]" 2
881 1 37 GLN HE21 1 44 LEU MD2 . . 8.000 5.511 5.511 5.511 . 0 0 "[ ]" 2
882 1 37 GLN HE22 1 44 LEU MD1 . . 8.000 5.522 5.522 5.522 . 0 0 "[ ]" 2
883 1 38 THR H 1 38 THR HB . . 3.300 2.030 2.030 2.030 . 0 0 "[ ]" 2
884 1 38 THR H 1 38 THR MG . . 4.700 3.432 3.432 3.432 . 0 0 "[ ]" 2
885 1 38 THR H 1 39 GLU H . . 3.100 2.495 2.495 2.495 . 0 0 "[ ]" 2
886 1 38 THR H 1 39 GLU HB2 . . 6.400 4.830 4.830 4.830 . 0 0 "[ ]" 2
887 1 38 THR H 1 39 GLU HG3 . . 7.000 6.699 6.699 6.699 . 0 0 "[ ]" 2
888 1 38 THR H 1 40 PHE H . . 4.400 4.360 4.360 4.360 . 0 0 "[ ]" 2
889 1 38 THR HA 1 38 THR HB . . 3.100 2.974 2.974 2.974 . 0 0 "[ ]" 2
890 1 38 THR HA 1 38 THR MG . . 3.600 2.751 2.751 2.751 . 0 0 "[ ]" 2
891 1 38 THR HA 1 39 GLU H . . 4.000 3.620 3.620 3.620 . 0 0 "[ ]" 2
892 1 38 THR HB 1 39 GLU H . . 3.700 2.899 2.899 2.899 . 0 0 "[ ]" 2
893 1 38 THR MG 1 39 GLU H . . 6.500 2.683 2.683 2.683 . 0 0 "[ ]" 2
894 1 39 GLU H 1 39 GLU HB2 . . 3.900 2.475 2.475 2.475 . 0 0 "[ ]" 2
895 1 39 GLU H 1 39 GLU HB3 . . 3.300 2.489 2.489 2.489 . 0 0 "[ ]" 2
896 1 39 GLU H 1 39 GLU HG3 . . 4.100 4.364 4.364 4.364 0.264 1 0 "[ ]" 2
897 1 39 GLU H 1 39 GLU HG2 . . 5.300 4.570 4.570 4.570 . 0 0 "[ ]" 2
898 1 39 GLU H 1 40 PHE H . . 3.100 3.082 3.082 3.082 . 0 0 "[ ]" 2
899 1 39 GLU H 1 40 PHE HB2 . . 5.500 5.544 5.544 5.544 0.044 1 0 "[ ]" 2
900 1 39 GLU H 1 40 PHE QD . . 9.000 5.693 5.693 5.693 . 0 0 "[ ]" 2
901 1 39 GLU HA 1 39 GLU HB2 . . 3.000 2.437 2.437 2.437 . 0 0 "[ ]" 2
902 1 39 GLU HA 1 39 GLU HB3 . . 2.800 3.047 3.047 3.047 0.247 1 0 "[ ]" 2
903 1 39 GLU HA 1 40 PHE H . . 4.200 3.645 3.645 3.645 . 0 0 "[ ]" 2
904 1 39 GLU HA 1 41 PRO HD3 . . 7.000 4.702 4.702 4.702 . 0 0 "[ ]" 2
905 1 39 GLU HB2 1 40 PHE H . . 5.000 3.761 3.761 3.761 . 0 0 "[ ]" 2
906 1 39 GLU HB2 1 40 PHE QD . . 7.800 4.642 4.642 4.642 . 0 0 "[ ]" 2
907 1 39 GLU HB3 1 40 PHE H . . 4.200 2.288 2.288 2.288 . 0 0 "[ ]" 2
908 1 39 GLU HB3 1 40 PHE QD . . 7.300 3.774 3.774 3.774 . 0 0 "[ ]" 2
909 1 40 PHE H 1 40 PHE HB2 . . 3.600 2.672 2.672 2.672 . 0 0 "[ ]" 2
910 1 40 PHE H 1 40 PHE HB3 . . 4.100 3.747 3.747 3.747 . 0 0 "[ ]" 2
911 1 40 PHE H 1 40 PHE QE . . 7.300 5.609 5.609 5.609 . 0 0 "[ ]" 2
912 1 40 PHE H 1 41 PRO HA . . 4.500 4.299 4.299 4.299 . 0 0 "[ ]" 2
913 1 40 PHE H 1 41 PRO HD3 . . 4.600 3.262 3.262 3.262 . 0 0 "[ ]" 2
914 1 40 PHE H 1 41 PRO HD2 . . 5.900 4.367 4.367 4.367 . 0 0 "[ ]" 2
915 1 40 PHE HA 1 40 PHE QD . . 4.400 2.428 2.428 2.428 . 0 0 "[ ]" 2
916 1 40 PHE HA 1 41 PRO HD3 . . 4.000 2.317 2.317 2.317 . 0 0 "[ ]" 2
917 1 40 PHE HA 1 41 PRO HD2 . . 3.200 2.208 2.208 2.208 . 0 0 "[ ]" 2
918 1 40 PHE HA 1 42 SER H . . 5.400 3.211 3.211 3.211 . 0 0 "[ ]" 2
919 1 40 PHE HA 1 43 LEU H . . 7.000 4.094 4.094 4.094 . 0 0 "[ ]" 2
920 1 40 PHE HB2 1 41 PRO HD3 . . 4.600 4.829 4.829 4.829 0.229 1 0 "[ ]" 2
921 1 40 PHE HB2 1 41 PRO HD2 . . 7.000 5.039 5.039 5.039 . 0 0 "[ ]" 2
922 1 40 PHE HB2 1 43 LEU H . . 6.800 3.957 3.957 3.957 . 0 0 "[ ]" 2
923 1 40 PHE HB2 1 43 LEU QD . . 9.400 4.214 4.214 4.214 . 0 0 "[ ]" 2
924 1 40 PHE HB3 1 41 PRO HD3 . . 4.600 4.691 4.691 4.691 0.091 1 0 "[ ]" 2
925 1 40 PHE HB3 1 41 PRO HD2 . . 5.300 4.273 4.273 4.273 . 0 0 "[ ]" 2
926 1 40 PHE HB3 1 43 LEU H . . 5.100 2.666 2.666 2.666 . 0 0 "[ ]" 2
927 1 40 PHE HB3 1 43 LEU HB2 . . 6.900 2.115 2.115 2.115 . 0 0 "[ ]" 2
928 1 40 PHE HB3 1 43 LEU HB3 . . 7.000 3.750 3.750 3.750 . 0 0 "[ ]" 2
929 1 40 PHE HB3 1 43 LEU HG . . 6.100 3.472 3.472 3.472 . 0 0 "[ ]" 2
930 1 40 PHE HB3 1 43 LEU QD . . 9.400 3.297 3.297 3.297 . 0 0 "[ ]" 2
931 1 40 PHE HB3 1 77 ILE HG12 . . 5.600 3.415 3.415 3.415 . 0 0 "[ ]" 2
932 1 40 PHE QD 1 41 PRO HD2 . . 9.000 3.783 3.783 3.783 . 0 0 "[ ]" 2
933 1 40 PHE QD 1 43 LEU HG . . 9.000 4.449 4.449 4.449 . 0 0 "[ ]" 2
934 1 40 PHE QD 1 43 LEU QD . . 11.400 4.104 4.104 4.104 . 0 0 "[ ]" 2
935 1 40 PHE QD 1 70 PHE HZ . . 7.900 4.134 4.134 4.134 . 0 0 "[ ]" 2
936 1 40 PHE QD 1 73 LEU MD2 . . 10.000 4.317 4.317 4.317 . 0 0 "[ ]" 2
937 1 40 PHE QD 1 77 ILE MG . . 9.100 3.212 3.212 3.212 . 0 0 "[ ]" 2
938 1 40 PHE QD 1 77 ILE HG12 . . 8.100 3.336 3.336 3.336 . 0 0 "[ ]" 2
939 1 40 PHE QE 1 77 ILE MG . . 9.800 2.310 2.310 2.310 . 0 0 "[ ]" 2
940 1 40 PHE QE 1 77 ILE HG12 . . 8.200 3.981 3.981 3.981 . 0 0 "[ ]" 2
941 1 40 PHE HZ 1 77 ILE MD . . 8.000 4.316 4.316 4.316 . 0 0 "[ ]" 2
942 1 41 PRO HA 1 41 PRO HD3 . . 4.200 3.791 3.791 3.791 . 0 0 "[ ]" 2
943 1 41 PRO HA 1 42 SER H . . 4.000 3.393 3.393 3.393 . 0 0 "[ ]" 2
944 1 41 PRO HA 1 42 SER HA . . 4.700 4.614 4.614 4.614 . 0 0 "[ ]" 2
945 1 41 PRO HA 1 43 LEU H . . 5.000 3.890 3.890 3.890 . 0 0 "[ ]" 2
946 1 41 PRO HA 1 44 LEU H . . 4.600 3.255 3.255 3.255 . 0 0 "[ ]" 2
947 1 41 PRO HA 1 44 LEU HB2 . . 7.000 3.093 3.093 3.093 . 0 0 "[ ]" 2
948 1 41 PRO HA 1 44 LEU HB3 . . 7.000 4.556 4.556 4.556 . 0 0 "[ ]" 2
949 1 41 PRO HA 1 44 LEU HG . . 4.100 2.967 2.967 2.967 . 0 0 "[ ]" 2
950 1 41 PRO HA 1 44 LEU MD1 . . 8.000 1.971 1.971 1.971 . 0 0 "[ ]" 2
951 1 41 PRO HB2 1 42 SER H . . 5.900 3.701 3.701 3.701 . 0 0 "[ ]" 2
952 1 41 PRO HB3 1 41 PRO HD3 . . 4.400 3.534 3.534 3.534 . 0 0 "[ ]" 2
953 1 41 PRO HB3 1 41 PRO HD2 . . 4.300 4.038 4.038 4.038 . 0 0 "[ ]" 2
954 1 41 PRO HB3 1 42 SER H . . 5.100 4.443 4.443 4.443 . 0 0 "[ ]" 2
955 1 41 PRO QG 1 42 SER H . . 6.400 3.245 3.245 3.245 . 0 0 "[ ]" 2
956 1 41 PRO QG 1 42 SER HB2 . . 8.000 4.240 4.240 4.240 . 0 0 "[ ]" 2
957 1 41 PRO HD3 1 42 SER H . . 6.700 3.681 3.681 3.681 . 0 0 "[ ]" 2
958 1 41 PRO HD2 1 42 SER H . . 5.800 2.367 2.367 2.367 . 0 0 "[ ]" 2
959 1 42 SER H 1 42 SER HB2 . . 3.700 2.078 2.078 2.078 . 0 0 "[ ]" 2
960 1 42 SER H 1 42 SER HB3 . . 3.400 3.047 3.047 3.047 . 0 0 "[ ]" 2
961 1 42 SER H 1 43 LEU H . . 3.400 2.484 2.484 2.484 . 0 0 "[ ]" 2
962 1 42 SER H 1 43 LEU HB2 . . 7.000 4.228 4.228 4.228 . 0 0 "[ ]" 2
963 1 42 SER H 1 44 LEU H . . 5.300 3.875 3.875 3.875 . 0 0 "[ ]" 2
964 1 42 SER HA 1 43 LEU H . . 3.900 3.552 3.552 3.552 . 0 0 "[ ]" 2
965 1 42 SER HA 1 44 LEU H . . 4.700 3.724 3.724 3.724 . 0 0 "[ ]" 2
966 1 42 SER HA 1 44 LEU HB2 . . 7.000 4.637 4.637 4.637 . 0 0 "[ ]" 2
967 1 42 SER HA 1 44 LEU HB3 . . 7.000 6.221 6.221 6.221 . 0 0 "[ ]" 2
968 1 42 SER HA 1 45 LYS H . . 6.000 3.254 3.254 3.254 . 0 0 "[ ]" 2
969 1 42 SER HA 1 45 LYS HB3 . . 5.900 4.736 4.736 4.736 . 0 0 "[ ]" 2
970 1 42 SER HA 1 45 LYS HG2 . . 7.000 3.742 3.742 3.742 . 0 0 "[ ]" 2
971 1 42 SER HA 1 45 LYS HG3 . . 7.000 2.056 2.056 2.056 . 0 0 "[ ]" 2
972 1 42 SER HA 1 45 LYS QD . . 8.000 3.135 3.135 3.135 . 0 0 "[ ]" 2
973 1 42 SER HA 1 45 LYS QE . . 8.000 2.912 2.912 2.912 . 0 0 "[ ]" 2
974 1 42 SER HB2 1 43 LEU H . . 3.900 3.536 3.536 3.536 . 0 0 "[ ]" 2
975 1 42 SER HB2 1 45 LYS H . . 7.000 5.632 5.632 5.632 . 0 0 "[ ]" 2
976 1 42 SER HB2 1 45 LYS QD . . 8.000 5.211 5.211 5.211 . 0 0 "[ ]" 2
977 1 42 SER HB3 1 43 LEU H . . 4.700 3.126 3.126 3.126 . 0 0 "[ ]" 2
978 1 42 SER HB3 1 45 LYS H . . 5.500 5.030 5.030 5.030 . 0 0 "[ ]" 2
979 1 42 SER HB3 1 45 LYS QD . . 8.000 5.106 5.106 5.106 . 0 0 "[ ]" 2
980 1 43 LEU H 1 43 LEU HA . . 3.100 2.831 2.831 2.831 . 0 0 "[ ]" 2
981 1 43 LEU H 1 43 LEU HB2 . . 3.000 2.005 2.005 2.005 . 0 0 "[ ]" 2
982 1 43 LEU H 1 43 LEU HB3 . . 3.200 3.172 3.172 3.172 . 0 0 "[ ]" 2
983 1 43 LEU H 1 43 LEU HG . . 4.100 4.122 4.122 4.122 0.022 1 0 "[ ]" 2
984 1 43 LEU H 1 44 LEU H . . 3.100 2.508 2.508 2.508 . 0 0 "[ ]" 2
985 1 43 LEU H 1 44 LEU HB2 . . 6.400 4.635 4.635 4.635 . 0 0 "[ ]" 2
986 1 43 LEU H 1 44 LEU HG . . 5.600 4.143 4.143 4.143 . 0 0 "[ ]" 2
987 1 43 LEU H 1 45 LYS H . . 4.300 4.060 4.060 4.060 . 0 0 "[ ]" 2
988 1 43 LEU HA 1 43 LEU HG . . 4.100 3.565 3.565 3.565 . 0 0 "[ ]" 2
989 1 43 LEU HA 1 44 LEU H . . 3.900 3.485 3.485 3.485 . 0 0 "[ ]" 2
990 1 43 LEU HA 1 44 LEU HA . . 5.100 4.719 4.719 4.719 . 0 0 "[ ]" 2
991 1 43 LEU HA 1 45 LYS H . . 4.600 3.873 3.873 3.873 . 0 0 "[ ]" 2
992 1 43 LEU HA 1 45 LYS HG2 . . 7.000 6.545 6.545 6.545 . 0 0 "[ ]" 2
993 1 43 LEU HA 1 45 LYS QD . . 8.000 6.401 6.401 6.401 . 0 0 "[ ]" 2
994 1 43 LEU HA 1 46 GLY H . . 5.400 3.276 3.276 3.276 . 0 0 "[ ]" 2
995 1 43 LEU HB2 1 43 LEU HG . . 2.700 2.308 2.308 2.308 . 0 0 "[ ]" 2
996 1 43 LEU HB2 1 44 LEU H . . 3.600 3.584 3.584 3.584 . 0 0 "[ ]" 2
997 1 43 LEU HB2 1 73 LEU HG . . 6.800 5.241 5.241 5.241 . 0 0 "[ ]" 2
998 1 43 LEU HB2 1 73 LEU MD1 . . 8.000 5.447 5.447 5.447 . 0 0 "[ ]" 2
999 1 43 LEU HB2 1 73 LEU MD2 . . 8.000 4.304 4.304 4.304 . 0 0 "[ ]" 2
1000 1 43 LEU HB2 1 77 ILE HG13 . . 5.200 4.348 4.348 4.348 . 0 0 "[ ]" 2
1001 1 43 LEU HB2 1 77 ILE MD . . 8.000 4.083 4.083 4.083 . 0 0 "[ ]" 2
1002 1 43 LEU HB3 1 44 LEU H . . 3.500 3.531 3.531 3.531 0.031 1 0 "[ ]" 2
1003 1 43 LEU HB3 1 73 LEU MD1 . . 8.000 4.352 4.352 4.352 . 0 0 "[ ]" 2
1004 1 43 LEU HB3 1 73 LEU MD2 . . 8.000 3.470 3.470 3.470 . 0 0 "[ ]" 2
1005 1 43 LEU HG 1 44 LEU H . . 7.000 5.624 5.624 5.624 . 0 0 "[ ]" 2
1006 1 43 LEU HG 1 77 ILE MG . . 8.000 4.239 4.239 4.239 . 0 0 "[ ]" 2
1007 1 43 LEU QD 1 44 LEU H . . 9.400 4.130 4.130 4.130 . 0 0 "[ ]" 2
1008 1 43 LEU QD 1 76 LYS QB . . 10.400 2.427 2.427 2.427 . 0 0 "[ ]" 2
1009 1 43 LEU QD 1 77 ILE HA . . 9.400 2.516 2.516 2.516 . 0 0 "[ ]" 2
1010 1 43 LEU QD 1 77 ILE MG . . 10.100 3.645 3.645 3.645 . 0 0 "[ ]" 2
1011 1 44 LEU H 1 44 LEU HB2 . . 3.100 2.329 2.329 2.329 . 0 0 "[ ]" 2
1012 1 44 LEU H 1 44 LEU HB3 . . 3.600 3.534 3.534 3.534 . 0 0 "[ ]" 2
1013 1 44 LEU H 1 44 LEU HG . . 3.300 2.509 2.509 2.509 . 0 0 "[ ]" 2
1014 1 44 LEU H 1 44 LEU MD1 . . 5.400 3.503 3.503 3.503 . 0 0 "[ ]" 2
1015 1 44 LEU H 1 44 LEU MD2 . . 5.400 3.707 3.707 3.707 . 0 0 "[ ]" 2
1016 1 44 LEU H 1 45 LYS H . . 3.100 2.424 2.424 2.424 . 0 0 "[ ]" 2
1017 1 44 LEU H 1 45 LYS HB2 . . 5.400 4.788 4.788 4.788 . 0 0 "[ ]" 2
1018 1 44 LEU H 1 45 LYS HG2 . . 7.000 4.633 4.633 4.633 . 0 0 "[ ]" 2
1019 1 44 LEU H 1 45 LYS HG3 . . 6.800 3.739 3.739 3.739 . 0 0 "[ ]" 2
1020 1 44 LEU H 1 46 GLY H . . 5.600 4.008 4.008 4.008 . 0 0 "[ ]" 2
1021 1 44 LEU HA 1 44 LEU HG . . 3.700 2.872 2.872 2.872 . 0 0 "[ ]" 2
1022 1 44 LEU HA 1 44 LEU MD2 . . 3.400 2.161 2.161 2.161 . 0 0 "[ ]" 2
1023 1 44 LEU HA 1 45 LYS H . . 3.900 3.527 3.527 3.527 . 0 0 "[ ]" 2
1024 1 44 LEU HA 1 45 LYS HG2 . . 7.000 5.607 5.607 5.607 . 0 0 "[ ]" 2
1025 1 44 LEU HA 1 45 LYS HG3 . . 7.000 5.476 5.476 5.476 . 0 0 "[ ]" 2
1026 1 44 LEU HA 1 46 GLY H . . 4.800 3.948 3.948 3.948 . 0 0 "[ ]" 2
1027 1 44 LEU HA 1 46 GLY HA2 . . 7.000 6.279 6.279 6.279 . 0 0 "[ ]" 2
1028 1 44 LEU HA 1 53 LEU MD1 . . 8.000 3.665 3.665 3.665 . 0 0 "[ ]" 2
1029 1 44 LEU HB2 1 44 LEU HG . . 3.100 2.554 2.554 2.554 . 0 0 "[ ]" 2
1030 1 44 LEU HB2 1 45 LYS H . . 3.800 3.086 3.086 3.086 . 0 0 "[ ]" 2
1031 1 44 LEU HB3 1 44 LEU MD1 . . 3.400 2.465 2.465 2.465 . 0 0 "[ ]" 2
1032 1 44 LEU HB3 1 44 LEU MD2 . . 3.600 2.275 2.275 2.275 . 0 0 "[ ]" 2
1033 1 44 LEU HB3 1 45 LYS H . . 7.000 3.964 3.964 3.964 . 0 0 "[ ]" 2
1034 1 44 LEU HB3 1 53 LEU MD1 . . 8.000 5.499 5.499 5.499 . 0 0 "[ ]" 2
1035 1 44 LEU HG 1 45 LYS H . . 4.600 4.604 4.604 4.604 0.004 1 0 "[ ]" 2
1036 1 44 LEU MD1 1 45 LYS H . . 8.000 4.804 4.804 4.804 . 0 0 "[ ]" 2
1037 1 44 LEU MD2 1 45 LYS H . . 6.200 4.909 4.909 4.909 . 0 0 "[ ]" 2
1038 1 44 LEU MD2 1 49 THR HA . . 8.000 4.867 4.867 4.867 . 0 0 "[ ]" 2
1039 1 44 LEU MD2 1 49 THR HB . . 8.000 6.283 6.283 6.283 . 0 0 "[ ]" 2
1040 1 44 LEU MD2 1 50 LEU H . . 8.000 4.467 4.467 4.467 . 0 0 "[ ]" 2
1041 1 44 LEU MD2 1 50 LEU HA . . 8.000 3.708 3.708 3.708 . 0 0 "[ ]" 2
1042 1 44 LEU MD2 1 50 LEU MD2 . . 7.100 2.115 2.115 2.115 . 0 0 "[ ]" 2
1043 1 45 LYS H 1 45 LYS HA . . 3.100 2.822 2.822 2.822 . 0 0 "[ ]" 2
1044 1 45 LYS H 1 45 LYS HB2 . . 3.000 2.556 2.556 2.556 . 0 0 "[ ]" 2
1045 1 45 LYS H 1 45 LYS HB3 . . 3.700 3.552 3.552 3.552 . 0 0 "[ ]" 2
1046 1 45 LYS H 1 45 LYS HG2 . . 3.800 2.812 2.812 2.812 . 0 0 "[ ]" 2
1047 1 45 LYS H 1 45 LYS HG3 . . 4.100 2.143 2.143 2.143 . 0 0 "[ ]" 2
1048 1 45 LYS H 1 45 LYS QD . . 5.700 3.994 3.994 3.994 . 0 0 "[ ]" 2
1049 1 45 LYS H 1 46 GLY H . . 3.400 2.538 2.538 2.538 . 0 0 "[ ]" 2
1050 1 45 LYS HA 1 45 LYS HG2 . . 4.200 2.429 2.429 2.429 . 0 0 "[ ]" 2
1051 1 45 LYS HA 1 45 LYS HG3 . . 4.000 3.396 3.396 3.396 . 0 0 "[ ]" 2
1052 1 45 LYS HA 1 46 GLY H . . 3.700 3.553 3.553 3.553 . 0 0 "[ ]" 2
1053 1 45 LYS HA 1 46 GLY HA2 . . 5.200 4.994 4.994 4.994 . 0 0 "[ ]" 2
1054 1 45 LYS HB2 1 45 LYS HG3 . . 3.100 2.370 2.370 2.370 . 0 0 "[ ]" 2
1055 1 45 LYS HB2 1 45 LYS QD . . 3.900 2.650 2.650 2.650 . 0 0 "[ ]" 2
1056 1 45 LYS HB2 1 46 GLY H . . 4.500 2.993 2.993 2.993 . 0 0 "[ ]" 2
1057 1 45 LYS HB2 1 46 GLY HA3 . . 6.200 4.895 4.895 4.895 . 0 0 "[ ]" 2
1058 1 45 LYS HB3 1 46 GLY H . . 3.700 4.077 4.077 4.077 0.377 1 0 "[ ]" 2
1059 1 45 LYS QD 1 46 GLY H . . 8.000 5.221 5.221 5.221 . 0 0 "[ ]" 2
1060 1 46 GLY H 1 46 GLY HA2 . . 3.100 2.692 2.692 2.692 . 0 0 "[ ]" 2
1061 1 46 GLY H 1 46 GLY HA3 . . 3.100 2.263 2.263 2.263 . 0 0 "[ ]" 2
1062 1 46 GLY H 1 47 MET H . . 5.000 4.665 4.665 4.665 . 0 0 "[ ]" 2
1063 1 46 GLY HA2 1 47 MET H . . 3.200 2.469 2.469 2.469 . 0 0 "[ ]" 2
1064 1 46 GLY HA3 1 47 MET H . . 3.400 2.782 2.782 2.782 . 0 0 "[ ]" 2
1065 1 46 GLY HA3 1 48 SER H . . 7.000 2.890 2.890 2.890 . 0 0 "[ ]" 2
1066 1 47 MET H 1 47 MET HB2 . . 3.500 2.398 2.398 2.398 . 0 0 "[ ]" 2
1067 1 47 MET H 1 47 MET HB3 . . 4.200 3.528 3.528 3.528 . 0 0 "[ ]" 2
1068 1 47 MET H 1 47 MET HG2 . . 4.900 3.633 3.633 3.633 . 0 0 "[ ]" 2
1069 1 47 MET H 1 47 MET HG3 . . 5.000 2.210 2.210 2.210 . 0 0 "[ ]" 2
1070 1 47 MET H 1 48 SER H . . 5.000 2.622 2.622 2.622 . 0 0 "[ ]" 2
1071 1 47 MET HA 1 48 SER H . . 3.600 3.342 3.342 3.342 . 0 0 "[ ]" 2
1072 1 47 MET HA 1 49 THR H . . 5.600 4.968 4.968 4.968 . 0 0 "[ ]" 2
1073 1 47 MET HB2 1 48 SER H . . 3.400 3.512 3.512 3.512 0.112 1 0 "[ ]" 2
1074 1 47 MET HB3 1 48 SER H . . 4.300 4.306 4.306 4.306 0.006 1 0 "[ ]" 2
1075 1 47 MET HG3 1 48 SER H . . 7.000 4.536 4.536 4.536 . 0 0 "[ ]" 2
1076 1 48 SER H 1 48 SER HB2 . . 3.500 2.410 2.410 2.410 . 0 0 "[ ]" 2
1077 1 48 SER H 1 49 THR H . . 4.000 4.202 4.202 4.202 0.202 1 0 "[ ]" 2
1078 1 48 SER HA 1 49 THR H . . 3.000 2.258 2.258 2.258 . 0 0 "[ ]" 2
1079 1 48 SER HB2 1 49 THR H . . 4.600 4.539 4.539 4.539 . 0 0 "[ ]" 2
1080 1 48 SER HB2 1 52 GLU HB2 . . 6.400 5.243 5.243 5.243 . 0 0 "[ ]" 2
1081 1 48 SER HB2 1 52 GLU HB3 . . 6.200 4.342 4.342 4.342 . 0 0 "[ ]" 2
1082 1 48 SER HB2 1 53 LEU HA . . 5.400 4.801 4.801 4.801 . 0 0 "[ ]" 2
1083 1 48 SER HB2 1 53 LEU HB3 . . 7.000 5.875 5.875 5.875 . 0 0 "[ ]" 2
1084 1 48 SER HB2 1 53 LEU MD1 . . 8.000 2.348 2.348 2.348 . 0 0 "[ ]" 2
1085 1 48 SER HB3 1 49 THR H . . 4.600 3.936 3.936 3.936 . 0 0 "[ ]" 2
1086 1 48 SER HB3 1 52 GLU HB2 . . 6.100 3.918 3.918 3.918 . 0 0 "[ ]" 2
1087 1 48 SER HB3 1 52 GLU HB3 . . 6.500 2.727 2.727 2.727 . 0 0 "[ ]" 2
1088 1 48 SER HB3 1 53 LEU H . . 7.000 3.767 3.767 3.767 . 0 0 "[ ]" 2
1089 1 48 SER HB3 1 53 LEU HA . . 4.700 3.512 3.512 3.512 . 0 0 "[ ]" 2
1090 1 48 SER HB3 1 53 LEU MD1 . . 8.000 2.577 2.577 2.577 . 0 0 "[ ]" 2
1091 1 49 THR H 1 49 THR HB . . 3.700 3.492 3.492 3.492 . 0 0 "[ ]" 2
1092 1 49 THR H 1 49 THR MG . . 3.600 2.054 2.054 2.054 . 0 0 "[ ]" 2
1093 1 49 THR H 1 50 LEU H . . 4.600 4.631 4.631 4.631 0.031 1 0 "[ ]" 2
1094 1 49 THR H 1 51 ASP H . . 6.700 5.754 5.754 5.754 . 0 0 "[ ]" 2
1095 1 49 THR H 1 52 GLU H . . 5.400 3.911 3.911 3.911 . 0 0 "[ ]" 2
1096 1 49 THR H 1 52 GLU HB2 . . 4.800 2.298 2.298 2.298 . 0 0 "[ ]" 2
1097 1 49 THR H 1 52 GLU HB3 . . 4.500 3.156 3.156 3.156 . 0 0 "[ ]" 2
1098 1 49 THR H 1 52 GLU HG2 . . 7.000 4.733 4.733 4.733 . 0 0 "[ ]" 2
1099 1 49 THR H 1 52 GLU HG3 . . 7.000 3.683 3.683 3.683 . 0 0 "[ ]" 2
1100 1 49 THR H 1 53 LEU H . . 5.200 4.529 4.529 4.529 . 0 0 "[ ]" 2
1101 1 49 THR HA 1 49 THR MG . . 3.400 2.458 2.458 2.458 . 0 0 "[ ]" 2
1102 1 49 THR HA 1 50 LEU H . . 3.000 2.512 2.512 2.512 . 0 0 "[ ]" 2
1103 1 49 THR HA 1 50 LEU HA . . 5.400 4.240 4.240 4.240 . 0 0 "[ ]" 2
1104 1 49 THR HA 1 51 ASP H . . 6.400 4.954 4.954 4.954 . 0 0 "[ ]" 2
1105 1 49 THR HA 1 52 GLU H . . 6.700 4.621 4.621 4.621 . 0 0 "[ ]" 2
1106 1 49 THR HB 1 50 LEU H . . 3.100 2.467 2.467 2.467 . 0 0 "[ ]" 2
1107 1 49 THR HB 1 51 ASP H . . 4.200 3.680 3.680 3.680 . 0 0 "[ ]" 2
1108 1 49 THR HB 1 51 ASP HB2 . . 7.000 4.319 4.319 4.319 . 0 0 "[ ]" 2
1109 1 49 THR HB 1 52 GLU H . . 5.300 3.842 3.842 3.842 . 0 0 "[ ]" 2
1110 1 49 THR MG 1 50 LEU H . . 7.600 3.921 3.921 3.921 . 0 0 "[ ]" 2
1111 1 49 THR MG 1 51 ASP H . . 8.000 4.988 4.988 4.988 . 0 0 "[ ]" 2
1112 1 49 THR MG 1 52 GLU H . . 8.000 4.147 4.147 4.147 . 0 0 "[ ]" 2
1113 1 49 THR MG 1 52 GLU HG3 . . 8.000 3.710 3.710 3.710 . 0 0 "[ ]" 2
1114 1 50 LEU H 1 50 LEU HB2 . . 3.100 2.033 2.033 2.033 . 0 0 "[ ]" 2
1115 1 50 LEU H 1 50 LEU HB3 . . 2.900 2.958 2.958 2.958 0.058 1 0 "[ ]" 2
1116 1 50 LEU H 1 50 LEU HG . . 4.800 4.519 4.519 4.519 . 0 0 "[ ]" 2
1117 1 50 LEU H 1 50 LEU MD1 . . 5.500 4.056 4.056 4.056 . 0 0 "[ ]" 2
1118 1 50 LEU H 1 50 LEU MD2 . . 5.400 3.428 3.428 3.428 . 0 0 "[ ]" 2
1119 1 50 LEU H 1 51 ASP H . . 3.300 3.033 3.033 3.033 . 0 0 "[ ]" 2
1120 1 50 LEU H 1 52 GLU H . . 6.400 4.169 4.169 4.169 . 0 0 "[ ]" 2
1121 1 50 LEU H 1 53 LEU H . . 6.500 4.565 4.565 4.565 . 0 0 "[ ]" 2
1122 1 50 LEU H 1 53 LEU MD2 . . 8.000 6.598 6.598 6.598 . 0 0 "[ ]" 2
1123 1 50 LEU HA 1 50 LEU HG . . 4.200 3.633 3.633 3.633 . 0 0 "[ ]" 2
1124 1 50 LEU HA 1 50 LEU MD1 . . 3.600 1.950 1.950 1.950 . 0 0 "[ ]" 2
1125 1 50 LEU HA 1 50 LEU MD2 . . 4.300 2.561 2.561 2.561 . 0 0 "[ ]" 2
1126 1 50 LEU HA 1 51 ASP H . . 3.800 3.640 3.640 3.640 . 0 0 "[ ]" 2
1127 1 50 LEU HA 1 51 ASP HA . . 5.600 4.802 4.802 4.802 . 0 0 "[ ]" 2
1128 1 50 LEU HA 1 53 LEU H . . 4.600 3.369 3.369 3.369 . 0 0 "[ ]" 2
1129 1 50 LEU HA 1 53 LEU HB3 . . 4.500 3.377 3.377 3.377 . 0 0 "[ ]" 2
1130 1 50 LEU HB2 1 51 ASP H . . 3.800 3.319 3.319 3.319 . 0 0 "[ ]" 2
1131 1 50 LEU HB2 1 51 ASP HA . . 5.400 5.366 5.366 5.366 . 0 0 "[ ]" 2
1132 1 50 LEU HB3 1 50 LEU HG . . 2.900 2.282 2.282 2.282 . 0 0 "[ ]" 2
1133 1 50 LEU HB3 1 51 ASP H . . 3.200 2.252 2.252 2.252 . 0 0 "[ ]" 2
1134 1 50 LEU HB3 1 51 ASP HA . . 5.500 3.825 3.825 3.825 . 0 0 "[ ]" 2
1135 1 50 LEU HG 1 51 ASP H . . 5.800 4.486 4.486 4.486 . 0 0 "[ ]" 2
1136 1 50 LEU MD1 1 51 ASP H . . 6.500 3.728 3.728 3.728 . 0 0 "[ ]" 2
1137 1 50 LEU MD1 1 54 PHE H . . 8.000 3.300 3.300 3.300 . 0 0 "[ ]" 2
1138 1 50 LEU MD2 1 51 ASP H . . 6.900 4.728 4.728 4.728 . 0 0 "[ ]" 2
1139 1 51 ASP H 1 51 ASP HB2 . . 3.000 2.029 2.029 2.029 . 0 0 "[ ]" 2
1140 1 51 ASP H 1 51 ASP HB3 . . 3.500 3.274 3.274 3.274 . 0 0 "[ ]" 2
1141 1 51 ASP H 1 52 GLU H . . 3.200 2.901 2.901 2.901 . 0 0 "[ ]" 2
1142 1 51 ASP H 1 53 LEU H . . 4.300 4.297 4.297 4.297 . 0 0 "[ ]" 2
1143 1 51 ASP H 1 54 PHE H . . 5.900 4.561 4.561 4.561 . 0 0 "[ ]" 2
1144 1 51 ASP H 1 55 GLU H . . 7.000 5.928 5.928 5.928 . 0 0 "[ ]" 2
1145 1 51 ASP HA 1 52 GLU H . . 4.300 3.635 3.635 3.635 . 0 0 "[ ]" 2
1146 1 51 ASP HA 1 53 LEU H . . 7.000 4.477 4.477 4.477 . 0 0 "[ ]" 2
1147 1 51 ASP HA 1 54 PHE H . . 4.200 3.324 3.324 3.324 . 0 0 "[ ]" 2
1148 1 51 ASP HA 1 54 PHE HB2 . . 3.100 2.953 2.953 2.953 . 0 0 "[ ]" 2
1149 1 51 ASP HA 1 54 PHE HB3 . . 4.400 2.463 2.463 2.463 . 0 0 "[ ]" 2
1150 1 51 ASP HA 1 55 GLU H . . 7.000 3.881 3.881 3.881 . 0 0 "[ ]" 2
1151 1 51 ASP HA 1 55 GLU HB2 . . 5.100 4.731 4.731 4.731 . 0 0 "[ ]" 2
1152 1 51 ASP HA 1 55 GLU HB3 . . 7.000 6.381 6.381 6.381 . 0 0 "[ ]" 2
1153 1 51 ASP HB2 1 52 GLU H . . 3.400 3.007 3.007 3.007 . 0 0 "[ ]" 2
1154 1 51 ASP HB3 1 52 GLU H . . 3.600 2.710 2.710 2.710 . 0 0 "[ ]" 2
1155 1 51 ASP HB3 1 54 PHE H . . 6.900 5.181 5.181 5.181 . 0 0 "[ ]" 2
1156 1 51 ASP HB3 1 54 PHE QD . . 9.000 5.672 5.672 5.672 . 0 0 "[ ]" 2
1157 1 52 GLU H 1 52 GLU HB2 . . 3.800 2.040 2.040 2.040 . 0 0 "[ ]" 2
1158 1 52 GLU H 1 52 GLU HB3 . . 3.200 3.318 3.318 3.318 0.118 1 0 "[ ]" 2
1159 1 52 GLU H 1 52 GLU HG2 . . 3.900 3.911 3.911 3.911 0.011 1 0 "[ ]" 2
1160 1 52 GLU H 1 52 GLU HG3 . . 3.300 3.322 3.322 3.322 0.022 1 0 "[ ]" 2
1161 1 52 GLU H 1 53 LEU H . . 3.100 2.815 2.815 2.815 . 0 0 "[ ]" 2
1162 1 52 GLU H 1 54 PHE H . . 6.000 4.159 4.159 4.159 . 0 0 "[ ]" 2
1163 1 52 GLU HA 1 52 GLU HB2 . . 3.100 2.908 2.908 2.908 . 0 0 "[ ]" 2
1164 1 52 GLU HA 1 52 GLU HB3 . . 2.900 2.850 2.850 2.850 . 0 0 "[ ]" 2
1165 1 52 GLU HA 1 52 GLU HG2 . . 3.100 2.076 2.076 2.076 . 0 0 "[ ]" 2
1166 1 52 GLU HA 1 52 GLU HG3 . . 3.300 2.868 2.868 2.868 . 0 0 "[ ]" 2
1167 1 52 GLU HA 1 53 LEU H . . 3.800 3.614 3.614 3.614 . 0 0 "[ ]" 2
1168 1 52 GLU HA 1 54 PHE H . . 7.000 4.533 4.533 4.533 . 0 0 "[ ]" 2
1169 1 52 GLU HA 1 55 GLU H . . 5.500 3.651 3.651 3.651 . 0 0 "[ ]" 2
1170 1 52 GLU HA 1 55 GLU HB2 . . 5.300 3.414 3.414 3.414 . 0 0 "[ ]" 2
1171 1 52 GLU HA 1 55 GLU HB3 . . 5.600 3.864 3.864 3.864 . 0 0 "[ ]" 2
1172 1 52 GLU HA 1 55 GLU HG2 . . 7.000 6.241 6.241 6.241 . 0 0 "[ ]" 2
1173 1 52 GLU HA 1 55 GLU HG3 . . 7.000 5.733 5.733 5.733 . 0 0 "[ ]" 2
1174 1 52 GLU HA 1 56 GLU H . . 6.300 3.794 3.794 3.794 . 0 0 "[ ]" 2
1175 1 52 GLU HB2 1 52 GLU HG3 . . 3.100 2.341 2.341 2.341 . 0 0 "[ ]" 2
1176 1 52 GLU HB2 1 53 LEU H . . 3.300 3.066 3.066 3.066 . 0 0 "[ ]" 2
1177 1 52 GLU HB3 1 52 GLU HG2 . . 3.100 2.702 2.702 2.702 . 0 0 "[ ]" 2
1178 1 52 GLU HB3 1 53 LEU H . . 3.400 3.001 3.001 3.001 . 0 0 "[ ]" 2
1179 1 52 GLU HG2 1 53 LEU H . . 7.000 4.936 4.936 4.936 . 0 0 "[ ]" 2
1180 1 52 GLU HG3 1 53 LEU H . . 7.000 5.081 5.081 5.081 . 0 0 "[ ]" 2
1181 1 53 LEU H 1 53 LEU HB2 . . 2.900 2.040 2.040 2.040 . 0 0 "[ ]" 2
1182 1 53 LEU H 1 53 LEU HB3 . . 3.100 2.985 2.985 2.985 . 0 0 "[ ]" 2
1183 1 53 LEU H 1 53 LEU HG . . 4.500 4.098 4.098 4.098 . 0 0 "[ ]" 2
1184 1 53 LEU H 1 53 LEU MD1 . . 4.800 3.640 3.640 3.640 . 0 0 "[ ]" 2
1185 1 53 LEU H 1 53 LEU MD2 . . 5.200 4.400 4.400 4.400 . 0 0 "[ ]" 2
1186 1 53 LEU H 1 54 PHE H . . 3.000 2.628 2.628 2.628 . 0 0 "[ ]" 2
1187 1 53 LEU H 1 55 GLU H . . 4.300 4.364 4.364 4.364 0.064 1 0 "[ ]" 2
1188 1 53 LEU H 1 56 GLU H . . 5.700 4.443 4.443 4.443 . 0 0 "[ ]" 2
1189 1 53 LEU H 1 56 GLU QB . . 7.700 4.226 4.226 4.226 . 0 0 "[ ]" 2
1190 1 53 LEU HA 1 53 LEU HB2 . . 3.000 2.743 2.743 2.743 . 0 0 "[ ]" 2
1191 1 53 LEU HA 1 53 LEU HG . . 4.400 2.096 2.096 2.096 . 0 0 "[ ]" 2
1192 1 53 LEU HA 1 53 LEU MD1 . . 3.900 3.242 3.242 3.242 . 0 0 "[ ]" 2
1193 1 53 LEU HA 1 53 LEU MD2 . . 4.400 3.324 3.324 3.324 . 0 0 "[ ]" 2
1194 1 53 LEU HA 1 54 PHE H . . 3.900 3.608 3.608 3.608 . 0 0 "[ ]" 2
1195 1 53 LEU HA 1 55 GLU H . . 6.200 4.706 4.706 4.706 . 0 0 "[ ]" 2
1196 1 53 LEU HA 1 56 GLU H . . 4.300 3.349 3.349 3.349 . 0 0 "[ ]" 2
1197 1 53 LEU HA 1 56 GLU QB . . 5.200 2.130 2.130 2.130 . 0 0 "[ ]" 2
1198 1 53 LEU HA 1 57 LEU H . . 6.000 3.453 3.453 3.453 . 0 0 "[ ]" 2
1199 1 53 LEU HB2 1 53 LEU MD1 . . 3.600 2.099 2.099 2.099 . 0 0 "[ ]" 2
1200 1 53 LEU HB2 1 54 PHE H . . 3.700 3.440 3.440 3.440 . 0 0 "[ ]" 2
1201 1 53 LEU HB2 1 54 PHE HA . . 5.300 5.346 5.346 5.346 0.046 1 0 "[ ]" 2
1202 1 53 LEU HB2 1 54 PHE HB2 . . 5.300 5.343 5.343 5.343 0.043 1 0 "[ ]" 2
1203 1 53 LEU HB3 1 54 PHE H . . 3.400 2.813 2.813 2.813 . 0 0 "[ ]" 2
1204 1 53 LEU HB3 1 54 PHE HB2 . . 7.000 4.343 4.343 4.343 . 0 0 "[ ]" 2
1205 1 53 LEU HG 1 54 PHE H . . 5.700 4.935 4.935 4.935 . 0 0 "[ ]" 2
1206 1 53 LEU HG 1 54 PHE HA . . 7.000 5.737 5.737 5.737 . 0 0 "[ ]" 2
1207 1 53 LEU MD1 1 54 PHE H . . 8.000 4.917 4.917 4.917 . 0 0 "[ ]" 2
1208 1 53 LEU MD1 1 54 PHE HA . . 8.000 6.082 6.082 6.082 . 0 0 "[ ]" 2
1209 1 53 LEU MD1 1 73 LEU MD1 . . 4.300 2.446 2.446 2.446 . 0 0 "[ ]" 2
1210 1 53 LEU MD1 1 73 LEU MD2 . . 4.900 3.017 3.017 3.017 . 0 0 "[ ]" 2
1211 1 53 LEU MD2 1 54 PHE H . . 6.700 4.197 4.197 4.197 . 0 0 "[ ]" 2
1212 1 53 LEU MD2 1 54 PHE HA . . 5.900 4.209 4.209 4.209 . 0 0 "[ ]" 2
1213 1 53 LEU MD2 1 73 LEU MD1 . . 4.800 2.198 2.198 2.198 . 0 0 "[ ]" 2
1214 1 53 LEU MD2 1 73 LEU MD2 . . 5.000 1.945 1.945 1.945 . 0 0 "[ ]" 2
1215 1 54 PHE H 1 54 PHE HA . . 3.100 2.756 2.756 2.756 . 0 0 "[ ]" 2
1216 1 54 PHE H 1 54 PHE HB2 . . 2.700 2.275 2.275 2.275 . 0 0 "[ ]" 2
1217 1 54 PHE H 1 54 PHE HB3 . . 2.900 2.425 2.425 2.425 . 0 0 "[ ]" 2
1218 1 54 PHE H 1 55 GLU H . . 3.100 2.879 2.879 2.879 . 0 0 "[ ]" 2
1219 1 54 PHE H 1 56 GLU H . . 6.800 3.948 3.948 3.948 . 0 0 "[ ]" 2
1220 1 54 PHE HA 1 54 PHE HB2 . . 2.700 2.546 2.546 2.546 . 0 0 "[ ]" 2
1221 1 54 PHE HA 1 55 GLU H . . 3.900 3.637 3.637 3.637 . 0 0 "[ ]" 2
1222 1 54 PHE HA 1 56 GLU H . . 7.000 4.476 4.476 4.476 . 0 0 "[ ]" 2
1223 1 54 PHE HA 1 57 LEU H . . 4.300 3.799 3.799 3.799 . 0 0 "[ ]" 2
1224 1 54 PHE HA 1 57 LEU HB2 . . 4.500 3.194 3.194 3.194 . 0 0 "[ ]" 2
1225 1 54 PHE HA 1 57 LEU HB3 . . 5.300 4.818 4.818 4.818 . 0 0 "[ ]" 2
1226 1 54 PHE HA 1 57 LEU HG . . 6.100 4.204 4.204 4.204 . 0 0 "[ ]" 2
1227 1 54 PHE HA 1 57 LEU MD1 . . 5.900 2.391 2.391 2.391 . 0 0 "[ ]" 2
1228 1 54 PHE HA 1 57 LEU MD2 . . 7.900 5.005 5.005 5.005 . 0 0 "[ ]" 2
1229 1 54 PHE HA 1 58 ASP H . . 5.500 4.135 4.135 4.135 . 0 0 "[ ]" 2
1230 1 54 PHE HA 1 65 VAL MG2 . . 6.700 3.130 3.130 3.130 . 0 0 "[ ]" 2
1231 1 54 PHE HB2 1 55 GLU H . . 3.700 3.655 3.655 3.655 . 0 0 "[ ]" 2
1232 1 54 PHE HB3 1 55 GLU H . . 3.400 2.208 2.208 2.208 . 0 0 "[ ]" 2
1233 1 54 PHE QD 1 55 GLU H . . 5.800 3.077 3.077 3.077 . 0 0 "[ ]" 2
1234 1 54 PHE QD 1 55 GLU HA . . 9.000 3.115 3.115 3.115 . 0 0 "[ ]" 2
1235 1 54 PHE QD 1 57 LEU MD1 . . 10.000 4.218 4.218 4.218 . 0 0 "[ ]" 2
1236 1 54 PHE QD 1 57 LEU MD2 . . 10.000 6.542 6.542 6.542 . 0 0 "[ ]" 2
1237 1 54 PHE QD 1 58 ASP HB3 . . 9.000 4.801 4.801 4.801 . 0 0 "[ ]" 2
1238 1 54 PHE QD 1 63 GLY H . . 9.000 7.032 7.032 7.032 . 0 0 "[ ]" 2
1239 1 54 PHE QD 1 65 VAL MG2 . . 8.700 3.496 3.496 3.496 . 0 0 "[ ]" 2
1240 1 54 PHE QE 1 63 GLY H . . 8.500 5.792 5.792 5.792 . 0 0 "[ ]" 2
1241 1 54 PHE QE 1 65 VAL MG2 . . 8.800 3.713 3.713 3.713 . 0 0 "[ ]" 2
1242 1 55 GLU H 1 55 GLU HB2 . . 3.400 2.045 2.045 2.045 . 0 0 "[ ]" 2
1243 1 55 GLU H 1 55 GLU HB3 . . 3.200 3.127 3.127 3.127 . 0 0 "[ ]" 2
1244 1 55 GLU H 1 55 GLU HG2 . . 4.600 4.263 4.263 4.263 . 0 0 "[ ]" 2
1245 1 55 GLU H 1 55 GLU HG3 . . 3.900 3.729 3.729 3.729 . 0 0 "[ ]" 2
1246 1 55 GLU H 1 56 GLU H . . 3.000 2.567 2.567 2.567 . 0 0 "[ ]" 2
1247 1 55 GLU H 1 57 LEU H . . 4.400 4.385 4.385 4.385 . 0 0 "[ ]" 2
1248 1 55 GLU H 1 58 ASP H . . 6.800 4.966 4.966 4.966 . 0 0 "[ ]" 2
1249 1 55 GLU HA 1 56 GLU H . . 3.800 3.578 3.578 3.578 . 0 0 "[ ]" 2
1250 1 55 GLU HA 1 57 LEU H . . 6.900 4.705 4.705 4.705 . 0 0 "[ ]" 2
1251 1 55 GLU HA 1 58 ASP H . . 3.800 3.683 3.683 3.683 . 0 0 "[ ]" 2
1252 1 55 GLU HB2 1 56 GLU H . . 3.900 3.400 3.400 3.400 . 0 0 "[ ]" 2
1253 1 55 GLU HB3 1 55 GLU HG2 . . 3.000 2.641 2.641 2.641 . 0 0 "[ ]" 2
1254 1 55 GLU HB3 1 56 GLU H . . 3.900 3.066 3.066 3.066 . 0 0 "[ ]" 2
1255 1 55 GLU HG2 1 56 GLU H . . 7.000 4.924 4.924 4.924 . 0 0 "[ ]" 2
1256 1 55 GLU HG3 1 56 GLU H . . 7.000 5.240 5.240 5.240 . 0 0 "[ ]" 2
1257 1 55 GLU HG3 1 58 ASP H . . 7.000 6.329 6.329 6.329 . 0 0 "[ ]" 2
1258 1 56 GLU H 1 56 GLU QB . . 3.700 2.207 2.207 2.207 . 0 0 "[ ]" 2
1259 1 56 GLU H 1 56 GLU HG2 . . 4.600 4.419 4.419 4.419 . 0 0 "[ ]" 2
1260 1 56 GLU H 1 56 GLU HG3 . . 5.200 4.405 4.405 4.405 . 0 0 "[ ]" 2
1261 1 56 GLU H 1 57 LEU H . . 2.900 2.767 2.767 2.767 . 0 0 "[ ]" 2
1262 1 56 GLU H 1 57 LEU HB2 . . 5.700 4.850 4.850 4.850 . 0 0 "[ ]" 2
1263 1 56 GLU H 1 57 LEU HG . . 7.000 4.515 4.515 4.515 . 0 0 "[ ]" 2
1264 1 56 GLU H 1 58 ASP H . . 5.600 4.366 4.366 4.366 . 0 0 "[ ]" 2
1265 1 56 GLU HA 1 56 GLU HG2 . . 3.600 3.192 3.192 3.192 . 0 0 "[ ]" 2
1266 1 56 GLU HA 1 56 GLU HG3 . . 3.200 2.492 2.492 2.492 . 0 0 "[ ]" 2
1267 1 56 GLU HA 1 57 LEU H . . 4.000 3.635 3.635 3.635 . 0 0 "[ ]" 2
1268 1 56 GLU HA 1 57 LEU HA . . 5.600 4.839 4.839 4.839 . 0 0 "[ ]" 2
1269 1 56 GLU QB 1 57 LEU H . . 4.200 2.403 2.403 2.403 . 0 0 "[ ]" 2
1270 1 56 GLU QB 1 57 LEU HG . . 5.300 3.207 3.207 3.207 . 0 0 "[ ]" 2
1271 1 56 GLU QB 1 57 LEU MD2 . . 9.000 4.316 4.316 4.316 . 0 0 "[ ]" 2
1272 1 56 GLU QB 1 58 ASP H . . 8.000 4.904 4.904 4.904 . 0 0 "[ ]" 2
1273 1 56 GLU HG2 1 57 LEU HB2 . . 7.000 5.637 5.637 5.637 . 0 0 "[ ]" 2
1274 1 57 LEU H 1 57 LEU HB2 . . 3.100 2.488 2.488 2.488 . 0 0 "[ ]" 2
1275 1 57 LEU H 1 57 LEU HB3 . . 3.500 3.534 3.534 3.534 0.034 1 0 "[ ]" 2
1276 1 57 LEU H 1 57 LEU HG . . 2.900 2.124 2.124 2.124 . 0 0 "[ ]" 2
1277 1 57 LEU H 1 57 LEU MD1 . . 3.800 3.039 3.039 3.039 . 0 0 "[ ]" 2
1278 1 57 LEU H 1 57 LEU MD2 . . 4.200 3.622 3.622 3.622 . 0 0 "[ ]" 2
1279 1 57 LEU H 1 58 ASP H . . 3.000 2.936 2.936 2.936 . 0 0 "[ ]" 2
1280 1 57 LEU HA 1 57 LEU HB3 . . 3.000 2.471 2.471 2.471 . 0 0 "[ ]" 2
1281 1 57 LEU HA 1 57 LEU HG . . 3.600 2.777 2.777 2.777 . 0 0 "[ ]" 2
1282 1 57 LEU HA 1 57 LEU MD2 . . 3.300 2.414 2.414 2.414 . 0 0 "[ ]" 2
1283 1 57 LEU HA 1 58 ASP H . . 3.900 3.636 3.636 3.636 . 0 0 "[ ]" 2
1284 1 57 LEU HA 1 58 ASP HA . . 4.900 4.667 4.667 4.667 . 0 0 "[ ]" 2
1285 1 57 LEU HB2 1 57 LEU MD1 . . 3.300 2.186 2.186 2.186 . 0 0 "[ ]" 2
1286 1 57 LEU HB2 1 58 ASP H . . 3.300 2.393 2.393 2.393 . 0 0 "[ ]" 2
1287 1 57 LEU HB3 1 58 ASP H . . 3.600 3.448 3.448 3.448 . 0 0 "[ ]" 2
1288 1 57 LEU HG 1 58 ASP H . . 6.300 4.397 4.397 4.397 . 0 0 "[ ]" 2
1289 1 57 LEU MD1 1 58 ASP H . . 6.500 4.092 4.092 4.092 . 0 0 "[ ]" 2
1290 1 57 LEU MD1 1 70 PHE HA . . 6.800 4.469 4.469 4.469 . 0 0 "[ ]" 2
1291 1 57 LEU MD1 1 70 PHE HB2 . . 8.000 5.598 5.598 5.598 . 0 0 "[ ]" 2
1292 1 57 LEU MD1 1 70 PHE QD . . 9.400 4.814 4.814 4.814 . 0 0 "[ ]" 2
1293 1 57 LEU MD1 1 73 LEU MD2 . . 6.600 3.008 3.008 3.008 . 0 0 "[ ]" 2
1294 1 57 LEU MD2 1 58 ASP H . . 8.000 4.774 4.774 4.774 . 0 0 "[ ]" 2
1295 1 57 LEU MD2 1 70 PHE HA . . 6.200 2.732 2.732 2.732 . 0 0 "[ ]" 2
1296 1 57 LEU MD2 1 70 PHE HB2 . . 8.000 4.545 4.545 4.545 . 0 0 "[ ]" 2
1297 1 57 LEU MD2 1 70 PHE QD . . 10.000 4.217 4.217 4.217 . 0 0 "[ ]" 2
1298 1 57 LEU MD2 1 72 VAL H . . 5.700 4.151 4.151 4.151 . 0 0 "[ ]" 2
1299 1 57 LEU MD2 1 72 VAL HB . . 4.900 3.083 3.083 3.083 . 0 0 "[ ]" 2
1300 1 57 LEU MD2 1 73 LEU MD2 . . 9.000 2.624 2.624 2.624 . 0 0 "[ ]" 2
1301 1 58 ASP H 1 58 ASP HB2 . . 2.900 2.510 2.510 2.510 . 0 0 "[ ]" 2
1302 1 58 ASP H 1 58 ASP HB3 . . 3.300 2.422 2.422 2.422 . 0 0 "[ ]" 2
1303 1 58 ASP H 1 65 VAL MG1 . . 6.800 4.596 4.596 4.596 . 0 0 "[ ]" 2
1304 1 58 ASP H 1 65 VAL MG2 . . 6.700 3.123 3.123 3.123 . 0 0 "[ ]" 2
1305 1 58 ASP HA 1 65 VAL MG1 . . 8.000 5.001 5.001 5.001 . 0 0 "[ ]" 2
1306 1 58 ASP HB2 1 65 VAL MG2 . . 8.000 2.743 2.743 2.743 . 0 0 "[ ]" 2
1307 1 58 ASP HB3 1 65 VAL MG2 . . 4.900 4.045 4.045 4.045 . 0 0 "[ ]" 2
1308 1 60 ASN H 1 60 ASN HA . . 3.000 2.905 2.905 2.905 . 0 0 "[ ]" 2
1309 1 60 ASN H 1 60 ASN HB2 . . 3.600 3.195 3.195 3.195 . 0 0 "[ ]" 2
1310 1 60 ASN H 1 60 ASN HB3 . . 4.200 3.546 3.546 3.546 . 0 0 "[ ]" 2
1311 1 60 ASN H 1 60 ASN HD21 . . 4.300 4.017 4.017 4.017 . 0 0 "[ ]" 2
1312 1 60 ASN H 1 61 GLY H . . 4.600 2.142 2.142 2.142 . 0 0 "[ ]" 2
1313 1 60 ASN HA 1 61 GLY H . . 5.200 3.638 3.638 3.638 . 0 0 "[ ]" 2
1314 1 60 ASN HB2 1 60 ASN HD21 . . 3.200 3.263 3.263 3.263 0.063 1 0 "[ ]" 2
1315 1 60 ASN HB3 1 60 ASN HD21 . . 3.100 2.102 2.102 2.102 . 0 0 "[ ]" 2
1316 1 60 ASN HB3 1 61 GLY H . . 4.500 4.004 4.004 4.004 . 0 0 "[ ]" 2
1317 1 60 ASN HD21 1 62 ASP HB2 . . 7.000 6.636 6.636 6.636 . 0 0 "[ ]" 2
1318 1 61 GLY QA 1 63 GLY H . . 8.000 3.662 3.662 3.662 . 0 0 "[ ]" 2
1319 1 62 ASP HA 1 62 ASP HB2 . . 3.100 2.995 2.995 2.995 . 0 0 "[ ]" 2
1320 1 62 ASP HA 1 63 GLY H . . 4.400 3.562 3.562 3.562 . 0 0 "[ ]" 2
1321 1 64 GLU HA 1 65 VAL H . . 3.000 2.223 2.223 2.223 . 0 0 "[ ]" 2
1322 1 65 VAL H 1 65 VAL HB . . 2.900 2.284 2.284 2.284 . 0 0 "[ ]" 2
1323 1 65 VAL H 1 65 VAL MG2 . . 4.300 2.797 2.797 2.797 . 0 0 "[ ]" 2
1324 1 65 VAL H 1 66 SER H . . 4.500 3.414 3.414 3.414 . 0 0 "[ ]" 2
1325 1 65 VAL HA 1 65 VAL MG2 . . 3.700 2.185 2.185 2.185 . 0 0 "[ ]" 2
1326 1 65 VAL HB 1 66 SER H . . 7.000 4.489 4.489 4.489 . 0 0 "[ ]" 2
1327 1 65 VAL MG1 1 66 SER H . . 7.800 3.950 3.950 3.950 . 0 0 "[ ]" 2
1328 1 65 VAL MG1 1 69 GLU H . . 8.000 4.014 4.014 4.014 . 0 0 "[ ]" 2
1329 1 65 VAL MG1 1 69 GLU HB2 . . 8.000 2.277 2.277 2.277 . 0 0 "[ ]" 2
1330 1 65 VAL MG1 1 69 GLU HB3 . . 6.300 3.212 3.212 3.212 . 0 0 "[ ]" 2
1331 1 65 VAL MG1 1 70 PHE H . . 5.300 3.248 3.248 3.248 . 0 0 "[ ]" 2
1332 1 65 VAL MG1 1 70 PHE HA . . 5.600 3.361 3.361 3.361 . 0 0 "[ ]" 2
1333 1 65 VAL MG1 1 70 PHE HB2 . . 5.200 3.246 3.246 3.246 . 0 0 "[ ]" 2
1334 1 65 VAL MG1 1 70 PHE HB3 . . 6.500 4.601 4.601 4.601 . 0 0 "[ ]" 2
1335 1 65 VAL MG1 1 70 PHE QD . . 8.700 3.198 3.198 3.198 . 0 0 "[ ]" 2
1336 1 65 VAL MG1 1 70 PHE QE . . 10.000 4.885 4.885 4.885 . 0 0 "[ ]" 2
1337 1 66 SER H 1 66 SER HG . . 3.800 2.173 2.173 2.173 . 0 0 "[ ]" 2
1338 1 66 SER H 1 67 PHE H . . 5.300 4.671 4.671 4.671 . 0 0 "[ ]" 2
1339 1 66 SER H 1 69 GLU HA . . 7.000 6.405 6.405 6.405 . 0 0 "[ ]" 2
1340 1 66 SER HA 1 67 PHE H . . 3.500 2.491 2.491 2.491 . 0 0 "[ ]" 2
1341 1 66 SER HA 1 68 GLU H . . 7.000 4.124 4.124 4.124 . 0 0 "[ ]" 2
1342 1 66 SER HB2 1 67 PHE H . . 3.100 2.664 2.664 2.664 . 0 0 "[ ]" 2
1343 1 66 SER HB2 1 68 GLU H . . 4.100 2.239 2.239 2.239 . 0 0 "[ ]" 2
1344 1 66 SER HB3 1 67 PHE H . . 3.600 3.298 3.298 3.298 . 0 0 "[ ]" 2
1345 1 66 SER HB3 1 67 PHE HB3 . . 7.000 5.342 5.342 5.342 . 0 0 "[ ]" 2
1346 1 66 SER HB3 1 68 GLU H . . 4.700 3.950 3.950 3.950 . 0 0 "[ ]" 2
1347 1 66 SER HG 1 69 GLU H . . 4.700 2.987 2.987 2.987 . 0 0 "[ ]" 2
1348 1 67 PHE H 1 67 PHE HB2 . . 3.000 2.077 2.077 2.077 . 0 0 "[ ]" 2
1349 1 67 PHE H 1 67 PHE HB3 . . 3.000 2.690 2.690 2.690 . 0 0 "[ ]" 2
1350 1 67 PHE H 1 68 GLU H . . 3.200 2.832 2.832 2.832 . 0 0 "[ ]" 2
1351 1 67 PHE H 1 68 GLU HA . . 6.400 5.267 5.267 5.267 . 0 0 "[ ]" 2
1352 1 67 PHE H 1 69 GLU H . . 6.800 4.815 4.815 4.815 . 0 0 "[ ]" 2
1353 1 67 PHE HA 1 67 PHE HB3 . . 3.100 3.069 3.069 3.069 . 0 0 "[ ]" 2
1354 1 67 PHE HA 1 67 PHE QD . . 4.300 2.047 2.047 2.047 . 0 0 "[ ]" 2
1355 1 67 PHE HA 1 67 PHE QE . . 5.700 4.314 4.314 4.314 . 0 0 "[ ]" 2
1356 1 67 PHE HA 1 68 GLU H . . 4.000 3.543 3.543 3.543 . 0 0 "[ ]" 2
1357 1 67 PHE HA 1 69 GLU H . . 7.000 4.579 4.579 4.579 . 0 0 "[ ]" 2
1358 1 67 PHE HA 1 70 PHE H . . 3.700 3.129 3.129 3.129 . 0 0 "[ ]" 2
1359 1 67 PHE HA 1 70 PHE HB2 . . 3.400 2.329 2.329 2.329 . 0 0 "[ ]" 2
1360 1 67 PHE HA 1 70 PHE HB3 . . 3.200 2.331 2.331 2.331 . 0 0 "[ ]" 2
1361 1 67 PHE HA 1 70 PHE QD . . 7.600 3.835 3.835 3.835 . 0 0 "[ ]" 2
1362 1 67 PHE HA 1 71 GLN H . . 7.000 4.138 4.138 4.138 . 0 0 "[ ]" 2
1363 1 67 PHE HB2 1 68 GLU H . . 4.000 3.827 3.827 3.827 . 0 0 "[ ]" 2
1364 1 67 PHE HB3 1 68 GLU H . . 3.300 2.841 2.841 2.841 . 0 0 "[ ]" 2
1365 1 67 PHE HB3 1 69 GLU H . . 6.700 5.434 5.434 5.434 . 0 0 "[ ]" 2
1366 1 67 PHE QD 1 68 GLU H . . 8.500 4.500 4.500 4.500 . 0 0 "[ ]" 2
1367 1 67 PHE QD 1 70 PHE HB2 . . 9.000 3.330 3.330 3.330 . 0 0 "[ ]" 2
1368 1 67 PHE QD 1 70 PHE HB3 . . 6.700 2.815 2.815 2.815 . 0 0 "[ ]" 2
1369 1 67 PHE QD 1 70 PHE QD . . 9.400 3.578 3.578 3.578 . 0 0 "[ ]" 2
1370 1 67 PHE QD 1 70 PHE QE . . 10.600 4.683 4.683 4.683 . 0 0 "[ ]" 2
1371 1 67 PHE QD 1 71 GLN HG3 . . 9.000 4.314 4.314 4.314 . 0 0 "[ ]" 2
1372 1 67 PHE QD 1 71 GLN HE21 . . 8.100 3.172 3.172 3.172 . 0 0 "[ ]" 2
1373 1 67 PHE QD 1 71 GLN HE22 . . 8.800 3.947 3.947 3.947 . 0 0 "[ ]" 2
1374 1 67 PHE QE 1 70 PHE QD . . 11.000 3.327 3.327 3.327 . 0 0 "[ ]" 2
1375 1 67 PHE QE 1 70 PHE QE . . 11.000 3.665 3.665 3.665 . 0 0 "[ ]" 2
1376 1 67 PHE QE 1 71 GLN HE21 . . 7.700 2.561 2.561 2.561 . 0 0 "[ ]" 2
1377 1 67 PHE QE 1 71 GLN HE22 . . 8.000 2.984 2.984 2.984 . 0 0 "[ ]" 2
1378 1 67 PHE HZ 1 71 GLN HE21 . . 5.500 3.338 3.338 3.338 . 0 0 "[ ]" 2
1379 1 67 PHE HZ 1 71 GLN HE22 . . 6.200 4.302 4.302 4.302 . 0 0 "[ ]" 2
1380 1 67 PHE HZ 1 74 VAL MG1 . . 8.000 6.092 6.092 6.092 . 0 0 "[ ]" 2
1381 1 68 GLU H 1 68 GLU HA . . 3.100 2.738 2.738 2.738 . 0 0 "[ ]" 2
1382 1 68 GLU H 1 68 GLU HB3 . . 4.300 2.783 2.783 2.783 . 0 0 "[ ]" 2
1383 1 68 GLU H 1 68 GLU HG2 . . 3.100 2.436 2.436 2.436 . 0 0 "[ ]" 2
1384 1 68 GLU H 1 68 GLU HG3 . . 3.300 1.842 1.842 1.842 . 0 0 "[ ]" 2
1385 1 68 GLU H 1 69 GLU H . . 3.200 2.888 2.888 2.888 . 0 0 "[ ]" 2
1386 1 68 GLU H 1 70 PHE H . . 5.500 3.853 3.853 3.853 . 0 0 "[ ]" 2
1387 1 68 GLU HA 1 69 GLU H . . 5.000 3.638 3.638 3.638 . 0 0 "[ ]" 2
1388 1 68 GLU HA 1 69 GLU HA . . 6.200 4.715 4.715 4.715 . 0 0 "[ ]" 2
1389 1 68 GLU HA 1 70 PHE H . . 7.000 4.287 4.287 4.287 . 0 0 "[ ]" 2
1390 1 68 GLU HA 1 71 GLN H . . 4.300 3.667 3.667 3.667 . 0 0 "[ ]" 2
1391 1 68 GLU HA 1 71 GLN HA . . 7.000 5.800 5.800 5.800 . 0 0 "[ ]" 2
1392 1 68 GLU HA 1 71 GLN HB2 . . 7.000 3.853 3.853 3.853 . 0 0 "[ ]" 2
1393 1 68 GLU HA 1 71 GLN HG2 . . 7.000 4.024 4.024 4.024 . 0 0 "[ ]" 2
1394 1 68 GLU HA 1 71 GLN HG3 . . 6.000 2.405 2.405 2.405 . 0 0 "[ ]" 2
1395 1 68 GLU HA 1 71 GLN HE21 . . 6.400 4.803 4.803 4.803 . 0 0 "[ ]" 2
1396 1 68 GLU HG2 1 69 GLU H . . 6.400 3.501 3.501 3.501 . 0 0 "[ ]" 2
1397 1 68 GLU HG3 1 69 GLU H . . 6.800 1.825 1.825 1.825 . 0 0 "[ ]" 2
1398 1 69 GLU H 1 69 GLU HB2 . . 2.800 2.444 2.444 2.444 . 0 0 "[ ]" 2
1399 1 69 GLU H 1 69 GLU HB3 . . 3.500 3.551 3.551 3.551 0.051 1 0 "[ ]" 2
1400 1 69 GLU H 1 69 GLU HG2 . . 3.700 3.730 3.730 3.730 0.030 1 0 "[ ]" 2
1401 1 69 GLU H 1 69 GLU HG3 . . 5.200 2.296 2.296 2.296 . 0 0 "[ ]" 2
1402 1 69 GLU H 1 70 PHE H . . 3.100 2.589 2.589 2.589 . 0 0 "[ ]" 2
1403 1 69 GLU H 1 70 PHE HB3 . . 5.100 4.833 4.833 4.833 . 0 0 "[ ]" 2
1404 1 69 GLU H 1 71 GLN H . . 6.900 4.347 4.347 4.347 . 0 0 "[ ]" 2
1405 1 69 GLU HA 1 69 GLU HB3 . . 3.100 2.525 2.525 2.525 . 0 0 "[ ]" 2
1406 1 69 GLU HA 1 69 GLU HG2 . . 3.300 2.916 2.916 2.916 . 0 0 "[ ]" 2
1407 1 69 GLU HA 1 70 PHE H . . 4.100 3.555 3.555 3.555 . 0 0 "[ ]" 2
1408 1 69 GLU HA 1 71 GLN H . . 5.200 4.267 4.267 4.267 . 0 0 "[ ]" 2
1409 1 69 GLU HA 1 72 VAL H . . 7.000 3.583 3.583 3.583 . 0 0 "[ ]" 2
1410 1 69 GLU HA 1 72 VAL HB . . 7.000 3.882 3.882 3.882 . 0 0 "[ ]" 2
1411 1 69 GLU HB2 1 69 GLU HG2 . . 3.100 2.980 2.980 2.980 . 0 0 "[ ]" 2
1412 1 69 GLU HB2 1 69 GLU HG3 . . 3.100 2.765 2.765 2.765 . 0 0 "[ ]" 2
1413 1 69 GLU HB2 1 70 PHE H . . 3.700 2.931 2.931 2.931 . 0 0 "[ ]" 2
1414 1 69 GLU HB2 1 70 PHE HB2 . . 6.200 4.445 4.445 4.445 . 0 0 "[ ]" 2
1415 1 69 GLU HB3 1 70 PHE H . . 3.900 3.920 3.920 3.920 0.020 1 0 "[ ]" 2
1416 1 69 GLU HG3 1 70 PHE H . . 6.300 4.484 4.484 4.484 . 0 0 "[ ]" 2
1417 1 70 PHE H 1 70 PHE HB2 . . 2.800 2.193 2.193 2.193 . 0 0 "[ ]" 2
1418 1 70 PHE H 1 70 PHE HB3 . . 2.800 2.513 2.513 2.513 . 0 0 "[ ]" 2
1419 1 70 PHE H 1 71 GLN H . . 3.200 2.753 2.753 2.753 . 0 0 "[ ]" 2
1420 1 70 PHE H 1 71 GLN HG3 . . 7.000 4.369 4.369 4.369 . 0 0 "[ ]" 2
1421 1 70 PHE HA 1 70 PHE HB2 . . 3.000 2.596 2.596 2.596 . 0 0 "[ ]" 2
1422 1 70 PHE HA 1 70 PHE QE . . 5.600 4.743 4.743 4.743 . 0 0 "[ ]" 2
1423 1 70 PHE HA 1 71 GLN H . . 3.800 3.612 3.612 3.612 . 0 0 "[ ]" 2
1424 1 70 PHE HA 1 72 VAL H . . 5.400 3.569 3.569 3.569 . 0 0 "[ ]" 2
1425 1 70 PHE HA 1 73 LEU H . . 5.900 3.213 3.213 3.213 . 0 0 "[ ]" 2
1426 1 70 PHE HA 1 73 LEU HB2 . . 5.400 3.211 3.211 3.211 . 0 0 "[ ]" 2
1427 1 70 PHE HA 1 73 LEU HB3 . . 7.000 3.957 3.957 3.957 . 0 0 "[ ]" 2
1428 1 70 PHE HA 1 73 LEU MD1 . . 8.000 4.862 4.862 4.862 . 0 0 "[ ]" 2
1429 1 70 PHE HA 1 73 LEU MD2 . . 8.000 4.205 4.205 4.205 . 0 0 "[ ]" 2
1430 1 70 PHE HB2 1 71 GLN H . . 4.300 3.708 3.708 3.708 . 0 0 "[ ]" 2
1431 1 70 PHE HB3 1 71 GLN H . . 3.600 2.443 2.443 2.443 . 0 0 "[ ]" 2
1432 1 70 PHE HB3 1 71 GLN HA . . 4.500 3.950 3.950 3.950 . 0 0 "[ ]" 2
1433 1 70 PHE HB3 1 71 GLN HG3 . . 4.400 3.911 3.911 3.911 . 0 0 "[ ]" 2
1434 1 70 PHE QD 1 71 GLN H . . 8.800 3.515 3.515 3.515 . 0 0 "[ ]" 2
1435 1 70 PHE QD 1 71 GLN HA . . 8.400 2.990 2.990 2.990 . 0 0 "[ ]" 2
1436 1 70 PHE QD 1 71 GLN HE21 . . 7.500 4.770 4.770 4.770 . 0 0 "[ ]" 2
1437 1 70 PHE QD 1 73 LEU HB2 . . 8.800 4.720 4.720 4.720 . 0 0 "[ ]" 2
1438 1 70 PHE QD 1 73 LEU MD1 . . 10.000 5.872 5.872 5.872 . 0 0 "[ ]" 2
1439 1 70 PHE QD 1 73 LEU MD2 . . 10.000 4.347 4.347 4.347 . 0 0 "[ ]" 2
1440 1 70 PHE QD 1 74 VAL MG1 . . 8.000 5.014 5.014 5.014 . 0 0 "[ ]" 2
1441 1 70 PHE QD 1 74 VAL MG2 . . 10.000 2.360 2.360 2.360 . 0 0 "[ ]" 2
1442 1 70 PHE QE 1 73 LEU MD1 . . 10.000 6.081 6.081 6.081 . 0 0 "[ ]" 2
1443 1 70 PHE QE 1 73 LEU MD2 . . 8.300 3.992 3.992 3.992 . 0 0 "[ ]" 2
1444 1 70 PHE QE 1 74 VAL MG1 . . 9.800 4.943 4.943 4.943 . 0 0 "[ ]" 2
1445 1 70 PHE QE 1 74 VAL MG2 . . 10.000 2.540 2.540 2.540 . 0 0 "[ ]" 2
1446 1 71 GLN H 1 71 GLN HB2 . . 3.100 2.654 2.654 2.654 . 0 0 "[ ]" 2
1447 1 71 GLN H 1 71 GLN HB3 . . 3.600 3.543 3.543 3.543 . 0 0 "[ ]" 2
1448 1 71 GLN H 1 71 GLN HG2 . . 3.000 2.315 2.315 2.315 . 0 0 "[ ]" 2
1449 1 71 GLN H 1 71 GLN HG3 . . 3.400 2.304 2.304 2.304 . 0 0 "[ ]" 2
1450 1 71 GLN H 1 71 GLN HE21 . . 4.900 4.393 4.393 4.393 . 0 0 "[ ]" 2
1451 1 71 GLN H 1 71 GLN HE22 . . 5.900 5.666 5.666 5.666 . 0 0 "[ ]" 2
1452 1 71 GLN H 1 72 VAL H . . 3.400 2.769 2.769 2.769 . 0 0 "[ ]" 2
1453 1 71 GLN H 1 72 VAL HB . . 6.500 5.118 5.118 5.118 . 0 0 "[ ]" 2
1454 1 71 GLN H 1 72 VAL MG2 . . 8.000 3.777 3.777 3.777 . 0 0 "[ ]" 2
1455 1 71 GLN H 1 73 LEU H . . 5.700 4.301 4.301 4.301 . 0 0 "[ ]" 2
1456 1 71 GLN H 1 74 VAL MG1 . . 8.000 6.132 6.132 6.132 . 0 0 "[ ]" 2
1457 1 71 GLN HA 1 71 GLN HB3 . . 3.100 2.456 2.456 2.456 . 0 0 "[ ]" 2
1458 1 71 GLN HA 1 71 GLN HG2 . . 4.100 2.441 2.441 2.441 . 0 0 "[ ]" 2
1459 1 71 GLN HA 1 71 GLN HE21 . . 5.900 4.232 4.232 4.232 . 0 0 "[ ]" 2
1460 1 71 GLN HA 1 71 GLN HE22 . . 6.100 5.229 5.229 5.229 . 0 0 "[ ]" 2
1461 1 71 GLN HA 1 72 VAL H . . 4.100 3.479 3.479 3.479 . 0 0 "[ ]" 2
1462 1 71 GLN HA 1 73 LEU H . . 5.500 3.953 3.953 3.953 . 0 0 "[ ]" 2
1463 1 71 GLN HA 1 74 VAL H . . 3.900 3.050 3.050 3.050 . 0 0 "[ ]" 2
1464 1 71 GLN HA 1 74 VAL HB . . 2.900 2.521 2.521 2.521 . 0 0 "[ ]" 2
1465 1 71 GLN HA 1 74 VAL MG1 . . 5.800 3.874 3.874 3.874 . 0 0 "[ ]" 2
1466 1 71 GLN HA 1 74 VAL MG2 . . 8.000 2.431 2.431 2.431 . 0 0 "[ ]" 2
1467 1 71 GLN HB2 1 72 VAL H . . 4.700 3.206 3.206 3.206 . 0 0 "[ ]" 2
1468 1 71 GLN HB2 1 72 VAL MG2 . . 6.200 3.190 3.190 3.190 . 0 0 "[ ]" 2
1469 1 71 GLN HB2 1 74 VAL HB . . 5.200 4.895 4.895 4.895 . 0 0 "[ ]" 2
1470 1 71 GLN HB3 1 72 VAL H . . 4.600 4.211 4.211 4.211 . 0 0 "[ ]" 2
1471 1 71 GLN HB3 1 72 VAL MG2 . . 8.000 4.436 4.436 4.436 . 0 0 "[ ]" 2
1472 1 71 GLN HB3 1 74 VAL HB . . 3.800 3.799 3.799 3.799 . 0 0 "[ ]" 2
1473 1 71 GLN HE21 1 71 GLN HG2 . . 3.400 2.170 2.170 2.170 . 0 0 "[ ]" 2
1474 1 71 GLN HE21 1 74 VAL MG1 . . 8.000 5.826 5.826 5.826 . 0 0 "[ ]" 2
1475 1 71 GLN HE22 1 74 VAL MG1 . . 8.000 6.045 6.045 6.045 . 0 0 "[ ]" 2
1476 1 72 VAL H 1 72 VAL HB . . 3.000 2.503 2.503 2.503 . 0 0 "[ ]" 2
1477 1 72 VAL H 1 72 VAL MG1 . . 4.400 3.714 3.714 3.714 . 0 0 "[ ]" 2
1478 1 72 VAL H 1 72 VAL MG2 . . 4.000 2.024 2.024 2.024 . 0 0 "[ ]" 2
1479 1 72 VAL H 1 73 LEU H . . 2.900 2.477 2.477 2.477 . 0 0 "[ ]" 2
1480 1 72 VAL H 1 73 LEU HA . . 5.700 5.066 5.066 5.066 . 0 0 "[ ]" 2
1481 1 72 VAL HA 1 72 VAL MG1 . . 3.700 2.250 2.250 2.250 . 0 0 "[ ]" 2
1482 1 72 VAL HA 1 72 VAL MG2 . . 3.400 2.481 2.481 2.481 . 0 0 "[ ]" 2
1483 1 72 VAL HA 1 73 LEU H . . 4.300 3.558 3.558 3.558 . 0 0 "[ ]" 2
1484 1 72 VAL HA 1 74 VAL H . . 5.300 4.359 4.359 4.359 . 0 0 "[ ]" 2
1485 1 72 VAL HA 1 75 LYS H . . 4.500 3.722 3.722 3.722 . 0 0 "[ ]" 2
1486 1 72 VAL HB 1 73 LEU H . . 4.000 2.908 2.908 2.908 . 0 0 "[ ]" 2
1487 1 72 VAL MG1 1 73 LEU H . . 7.800 3.908 3.908 3.908 . 0 0 "[ ]" 2
1488 1 72 VAL MG1 1 73 LEU HA . . 8.000 4.008 4.008 4.008 . 0 0 "[ ]" 2
1489 1 73 LEU H 1 73 LEU HB2 . . 3.200 2.208 2.208 2.208 . 0 0 "[ ]" 2
1490 1 73 LEU H 1 73 LEU HB3 . . 3.300 2.790 2.790 2.790 . 0 0 "[ ]" 2
1491 1 73 LEU H 1 73 LEU HG . . 4.600 4.531 4.531 4.531 . 0 0 "[ ]" 2
1492 1 73 LEU H 1 73 LEU MD1 . . 5.700 3.732 3.732 3.732 . 0 0 "[ ]" 2
1493 1 73 LEU H 1 74 VAL H . . 3.000 2.435 2.435 2.435 . 0 0 "[ ]" 2
1494 1 73 LEU H 1 77 ILE MD . . 6.500 4.707 4.707 4.707 . 0 0 "[ ]" 2
1495 1 73 LEU HA 1 73 LEU HB3 . . 3.100 2.982 2.982 2.982 . 0 0 "[ ]" 2
1496 1 73 LEU HA 1 73 LEU HG . . 3.400 2.777 2.777 2.777 . 0 0 "[ ]" 2
1497 1 73 LEU HA 1 73 LEU MD1 . . 3.400 1.965 1.965 1.965 . 0 0 "[ ]" 2
1498 1 73 LEU HA 1 73 LEU MD2 . . 4.600 3.808 3.808 3.808 . 0 0 "[ ]" 2
1499 1 73 LEU HA 1 74 VAL H . . 4.000 3.583 3.583 3.583 . 0 0 "[ ]" 2
1500 1 73 LEU HA 1 74 VAL HA . . 5.600 4.873 4.873 4.873 . 0 0 "[ ]" 2
1501 1 73 LEU HA 1 76 LYS H . . 4.800 3.005 3.005 3.005 . 0 0 "[ ]" 2
1502 1 73 LEU HA 1 76 LYS QB . . 5.600 3.037 3.037 3.037 . 0 0 "[ ]" 2
1503 1 73 LEU HA 1 76 LYS HG2 . . 6.300 3.536 3.536 3.536 . 0 0 "[ ]" 2
1504 1 73 LEU HA 1 76 LYS HG3 . . 7.000 3.956 3.956 3.956 . 0 0 "[ ]" 2
1505 1 73 LEU HA 1 76 LYS QE . . 8.000 5.438 5.438 5.438 . 0 0 "[ ]" 2
1506 1 73 LEU HA 1 77 ILE MD . . 7.200 3.959 3.959 3.959 . 0 0 "[ ]" 2
1507 1 73 LEU HB2 1 73 LEU MD2 . . 3.300 2.474 2.474 2.474 . 0 0 "[ ]" 2
1508 1 73 LEU HB2 1 74 VAL H . . 3.500 3.692 3.692 3.692 0.192 1 0 "[ ]" 2
1509 1 73 LEU HB2 1 76 LYS HG2 . . 6.800 6.149 6.149 6.149 . 0 0 "[ ]" 2
1510 1 73 LEU HB2 1 77 ILE MD . . 6.100 3.864 3.864 3.864 . 0 0 "[ ]" 2
1511 1 73 LEU HB3 1 73 LEU HG . . 2.900 2.479 2.479 2.479 . 0 0 "[ ]" 2
1512 1 73 LEU HB3 1 74 VAL H . . 4.200 2.885 2.885 2.885 . 0 0 "[ ]" 2
1513 1 73 LEU HB3 1 74 VAL HA . . 6.000 4.015 4.015 4.015 . 0 0 "[ ]" 2
1514 1 73 LEU HB3 1 76 LYS QB . . 6.700 4.928 4.928 4.928 . 0 0 "[ ]" 2
1515 1 73 LEU HB3 1 77 ILE MD . . 5.900 2.490 2.490 2.490 . 0 0 "[ ]" 2
1516 1 73 LEU HG 1 74 VAL H . . 5.000 4.661 4.661 4.661 . 0 0 "[ ]" 2
1517 1 73 LEU MD1 1 74 VAL H . . 8.000 4.790 4.790 4.790 . 0 0 "[ ]" 2
1518 1 73 LEU MD1 1 74 VAL HA . . 8.000 5.662 5.662 5.662 . 0 0 "[ ]" 2
1519 1 73 LEU MD1 1 76 LYS QB . . 9.000 2.732 2.732 2.732 . 0 0 "[ ]" 2
1520 1 73 LEU MD1 1 77 ILE MD . . 6.800 3.680 3.680 3.680 . 0 0 "[ ]" 2
1521 1 73 LEU MD2 1 74 VAL H . . 8.000 4.736 4.736 4.736 . 0 0 "[ ]" 2
1522 1 73 LEU MD2 1 74 VAL HA . . 8.000 5.246 5.246 5.246 . 0 0 "[ ]" 2
1523 1 73 LEU MD2 1 77 ILE MD . . 5.500 2.485 2.485 2.485 . 0 0 "[ ]" 2
1524 1 74 VAL H 1 74 VAL HB . . 2.900 2.241 2.241 2.241 . 0 0 "[ ]" 2
1525 1 74 VAL H 1 74 VAL MG1 . . 4.200 3.659 3.659 3.659 . 0 0 "[ ]" 2
1526 1 74 VAL H 1 74 VAL MG2 . . 4.300 2.335 2.335 2.335 . 0 0 "[ ]" 2
1527 1 74 VAL H 1 75 LYS H . . 3.300 2.761 2.761 2.761 . 0 0 "[ ]" 2
1528 1 74 VAL H 1 76 LYS H . . 4.900 4.482 4.482 4.482 . 0 0 "[ ]" 2
1529 1 74 VAL H 1 77 ILE MD . . 8.000 3.734 3.734 3.734 . 0 0 "[ ]" 2
1530 1 74 VAL HA 1 74 VAL MG1 . . 3.500 2.549 2.549 2.549 . 0 0 "[ ]" 2
1531 1 74 VAL HA 1 74 VAL MG2 . . 3.600 2.162 2.162 2.162 . 0 0 "[ ]" 2
1532 1 74 VAL HA 1 75 LYS H . . 3.900 3.518 3.518 3.518 . 0 0 "[ ]" 2
1533 1 74 VAL HA 1 76 LYS H . . 4.500 4.485 4.485 4.485 . 0 0 "[ ]" 2
1534 1 74 VAL HA 1 77 ILE H . . 4.800 3.186 3.186 3.186 . 0 0 "[ ]" 2
1535 1 74 VAL HA 1 77 ILE HB . . 4.800 2.135 2.135 2.135 . 0 0 "[ ]" 2
1536 1 74 VAL HA 1 77 ILE MG . . 8.000 3.426 3.426 3.426 . 0 0 "[ ]" 2
1537 1 74 VAL HA 1 77 ILE HG13 . . 4.200 4.189 4.189 4.189 . 0 0 "[ ]" 2
1538 1 74 VAL HA 1 77 ILE MD . . 6.400 2.491 2.491 2.491 . 0 0 "[ ]" 2
1539 1 74 VAL HB 1 75 LYS H . . 4.000 3.140 3.140 3.140 . 0 0 "[ ]" 2
1540 1 74 VAL HB 1 75 LYS HA . . 5.800 4.649 4.649 4.649 . 0 0 "[ ]" 2
1541 1 74 VAL MG1 1 75 LYS H . . 7.000 3.575 3.575 3.575 . 0 0 "[ ]" 2
1542 1 74 VAL MG1 1 75 LYS HA . . 8.000 3.503 3.503 3.503 . 0 0 "[ ]" 2
1543 1 74 VAL MG2 1 75 LYS H . . 6.700 4.219 4.219 4.219 . 0 0 "[ ]" 2
1544 1 74 VAL MG2 1 75 LYS HA . . 8.000 5.488 5.488 5.488 . 0 0 "[ ]" 2
1545 1 74 VAL MG2 1 77 ILE MD . . 9.000 3.016 3.016 3.016 . 0 0 "[ ]" 2
1546 1 75 LYS H 1 75 LYS HA . . 3.100 2.833 2.833 2.833 . 0 0 "[ ]" 2
1547 1 75 LYS H 1 75 LYS HB2 . . 3.000 2.221 2.221 2.221 . 0 0 "[ ]" 2
1548 1 75 LYS H 1 75 LYS HB3 . . 3.000 2.784 2.784 2.784 . 0 0 "[ ]" 2
1549 1 75 LYS H 1 75 LYS HG2 . . 4.500 4.323 4.323 4.323 . 0 0 "[ ]" 2
1550 1 75 LYS H 1 75 LYS HG3 . . 4.400 4.264 4.264 4.264 . 0 0 "[ ]" 2
1551 1 75 LYS H 1 76 LYS H . . 3.200 2.591 2.591 2.591 . 0 0 "[ ]" 2
1552 1 75 LYS H 1 77 ILE H . . 4.200 3.719 3.719 3.719 . 0 0 "[ ]" 2
1553 1 75 LYS HA 1 76 LYS H . . 3.900 3.617 3.617 3.617 . 0 0 "[ ]" 2
1554 1 75 LYS HA 1 78 SER H . . 4.300 3.445 3.445 3.445 . 0 0 "[ ]" 2
1555 1 75 LYS HA 1 78 SER QB . . 4.700 2.385 2.385 2.385 . 0 0 "[ ]" 2
1556 1 75 LYS HA 1 79 GLN HE21 . . 5.700 4.817 4.817 4.817 . 0 0 "[ ]" 2
1557 1 75 LYS HB2 1 75 LYS HG2 . . 3.100 2.953 2.953 2.953 . 0 0 "[ ]" 2
1558 1 75 LYS HB2 1 75 LYS HG3 . . 2.700 2.286 2.286 2.286 . 0 0 "[ ]" 2
1559 1 75 LYS HB2 1 75 LYS QD . . 3.700 2.873 2.873 2.873 . 0 0 "[ ]" 2
1560 1 75 LYS HB2 1 76 LYS H . . 3.600 3.630 3.630 3.630 0.030 1 0 "[ ]" 2
1561 1 75 LYS HB2 1 79 GLN HE21 . . 6.800 6.792 6.792 6.792 . 0 0 "[ ]" 2
1562 1 75 LYS HB3 1 75 LYS HG3 . . 3.000 2.952 2.952 2.952 . 0 0 "[ ]" 2
1563 1 75 LYS HB3 1 76 LYS H . . 3.500 2.646 2.646 2.646 . 0 0 "[ ]" 2
1564 1 75 LYS HB3 1 79 GLN HE21 . . 7.000 6.047 6.047 6.047 . 0 0 "[ ]" 2
1565 1 75 LYS QE 1 76 LYS HG3 . . 7.900 7.060 7.060 7.060 . 0 0 "[ ]" 2
1566 1 76 LYS H 1 76 LYS QB . . 3.800 2.340 2.340 2.340 . 0 0 "[ ]" 2
1567 1 76 LYS H 1 76 LYS HG2 . . 3.800 2.300 2.300 2.300 . 0 0 "[ ]" 2
1568 1 76 LYS H 1 76 LYS HG3 . . 4.400 3.615 3.615 3.615 . 0 0 "[ ]" 2
1569 1 76 LYS H 1 76 LYS HD2 . . 4.600 4.352 4.352 4.352 . 0 0 "[ ]" 2
1570 1 76 LYS H 1 76 LYS HD3 . . 4.200 3.766 3.766 3.766 . 0 0 "[ ]" 2
1571 1 76 LYS H 1 77 ILE H . . 3.000 2.508 2.508 2.508 . 0 0 "[ ]" 2
1572 1 76 LYS H 1 78 SER H . . 5.100 3.763 3.763 3.763 . 0 0 "[ ]" 2
1573 1 76 LYS H 1 79 GLN H . . 6.600 4.862 4.862 4.862 . 0 0 "[ ]" 2
1574 1 76 LYS HA 1 76 LYS HG2 . . 3.500 2.940 2.940 2.940 . 0 0 "[ ]" 2
1575 1 76 LYS HA 1 76 LYS HD2 . . 4.200 2.382 2.382 2.382 . 0 0 "[ ]" 2
1576 1 76 LYS HA 1 76 LYS HD3 . . 4.400 2.344 2.344 2.344 . 0 0 "[ ]" 2
1577 1 76 LYS HA 1 77 ILE H . . 4.200 3.562 3.562 3.562 . 0 0 "[ ]" 2
1578 1 76 LYS HA 1 77 ILE HA . . 4.900 4.708 4.708 4.708 . 0 0 "[ ]" 2
1579 1 76 LYS HA 1 78 SER H . . 5.200 3.562 3.562 3.562 . 0 0 "[ ]" 2
1580 1 76 LYS HA 1 79 GLN H . . 6.800 3.211 3.211 3.211 . 0 0 "[ ]" 2
1581 1 76 LYS HA 1 79 GLN HB2 . . 4.000 3.095 3.095 3.095 . 0 0 "[ ]" 2
1582 1 76 LYS HA 1 79 GLN HB3 . . 3.900 3.907 3.907 3.907 0.007 1 0 "[ ]" 2
1583 1 76 LYS QB 1 77 ILE H . . 5.000 2.879 2.879 2.879 . 0 0 "[ ]" 2
1584 1 76 LYS QB 1 77 ILE HA . . 5.500 4.027 4.027 4.027 . 0 0 "[ ]" 2
1585 1 76 LYS QB 1 79 GLN H . . 6.100 4.854 4.854 4.854 . 0 0 "[ ]" 2
1586 1 76 LYS HD3 1 76 LYS HG2 . . 3.000 2.324 2.324 2.324 . 0 0 "[ ]" 2
1587 1 76 LYS HD3 1 76 LYS HG3 . . 3.100 2.999 2.999 2.999 . 0 0 "[ ]" 2
1588 1 76 LYS HE2 1 76 LYS HG3 . . 4.400 2.354 2.354 2.354 . 0 0 "[ ]" 2
1589 1 77 ILE H 1 77 ILE HA . . 3.100 2.853 2.853 2.853 . 0 0 "[ ]" 2
1590 1 77 ILE H 1 77 ILE HB . . 3.200 2.240 2.240 2.240 . 0 0 "[ ]" 2
1591 1 77 ILE H 1 77 ILE MG . . 4.300 3.650 3.650 3.650 . 0 0 "[ ]" 2
1592 1 77 ILE H 1 77 ILE HG12 . . 4.100 3.928 3.928 3.928 . 0 0 "[ ]" 2
1593 1 77 ILE H 1 77 ILE HG13 . . 2.800 2.597 2.597 2.597 . 0 0 "[ ]" 2
1594 1 77 ILE H 1 77 ILE MD . . 5.500 3.284 3.284 3.284 . 0 0 "[ ]" 2
1595 1 77 ILE H 1 78 SER H . . 3.500 2.496 2.496 2.496 . 0 0 "[ ]" 2
1596 1 77 ILE H 1 78 SER QB . . 6.200 4.052 4.052 4.052 . 0 0 "[ ]" 2
1597 1 77 ILE H 1 79 GLN H . . 4.600 4.331 4.331 4.331 . 0 0 "[ ]" 2
1598 1 77 ILE HA 1 77 ILE HB . . 3.100 3.006 3.006 3.006 . 0 0 "[ ]" 2
1599 1 77 ILE HA 1 78 SER H . . 3.700 3.399 3.399 3.399 . 0 0 "[ ]" 2
1600 1 77 ILE HA 1 79 GLN H . . 7.000 4.554 4.554 4.554 . 0 0 "[ ]" 2
1601 1 77 ILE HB 1 77 ILE MD . . 3.700 2.056 2.056 2.056 . 0 0 "[ ]" 2
1602 1 77 ILE HB 1 78 SER H . . 4.100 3.491 3.491 3.491 . 0 0 "[ ]" 2
1603 1 77 ILE HB 1 79 GLN H . . 6.200 5.670 5.670 5.670 . 0 0 "[ ]" 2
1604 1 77 ILE HG12 1 77 ILE MG . . 3.300 2.290 2.290 2.290 . 0 0 "[ ]" 2
1605 1 77 ILE MG 1 78 SER H . . 8.000 3.823 3.823 3.823 . 0 0 "[ ]" 2
1606 1 77 ILE MG 1 78 SER HA . . 8.000 3.524 3.524 3.524 . 0 0 "[ ]" 2
1607 1 77 ILE HG12 1 78 SER H . . 7.000 5.503 5.503 5.503 . 0 0 "[ ]" 2
1608 1 77 ILE HG13 1 78 SER H . . 7.000 4.674 4.674 4.674 . 0 0 "[ ]" 2
1609 1 78 SER H 1 79 GLN H . . 3.300 2.299 2.299 2.299 . 0 0 "[ ]" 2
1610 1 78 SER H 1 79 GLN HB3 . . 5.400 5.210 5.210 5.210 . 0 0 "[ ]" 2
1611 1 78 SER H 1 79 GLN HE21 . . 5.500 4.337 4.337 4.337 . 0 0 "[ ]" 2
1612 1 78 SER HA 1 79 GLN H . . 3.700 3.614 3.614 3.614 . 0 0 "[ ]" 2
1613 1 78 SER QB 1 79 GLN H . . 5.300 2.684 2.684 2.684 . 0 0 "[ ]" 2
1614 1 78 SER QB 1 79 GLN HA . . 6.100 3.718 3.718 3.718 . 0 0 "[ ]" 2
1615 1 78 SER QB 1 79 GLN HB2 . . 6.900 3.979 3.979 3.979 . 0 0 "[ ]" 2
1616 1 79 GLN H 1 79 GLN HB2 . . 3.700 2.056 2.056 2.056 . 0 0 "[ ]" 2
1617 1 79 GLN H 1 79 GLN HB3 . . 4.300 3.105 3.105 3.105 . 0 0 "[ ]" 2
1618 1 79 GLN H 1 79 GLN HE21 . . 4.100 2.484 2.484 2.484 . 0 0 "[ ]" 2
1619 1 79 GLN H 1 79 GLN HE22 . . 5.000 3.962 3.962 3.962 . 0 0 "[ ]" 2
1620 1 79 GLN HA 1 79 GLN HE21 . . 5.400 2.390 2.390 2.390 . 0 0 "[ ]" 2
1621 1 79 GLN HA 1 79 GLN HE22 . . 6.200 3.984 3.984 3.984 . 0 0 "[ ]" 2
1622 1 79 GLN HB2 1 79 GLN HE21 . . 4.600 2.134 2.134 2.134 . 0 0 "[ ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 30
_Distance_constraint_stats_list.Viol_count 6
_Distance_constraint_stats_list.Viol_total 0.316
_Distance_constraint_stats_list.Viol_max 0.177
_Distance_constraint_stats_list.Viol_rms 0.0351
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0105
_Distance_constraint_stats_list.Viol_average_violations_only 0.0526
_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 PRO 0.007 0.007 1 0 "[ ]"
1 9 GLU 0.000 0.000 . 0 "[ ]"
1 10 LEU 0.007 0.007 1 0 "[ ]"
1 13 ILE 0.000 0.000 . 0 "[ ]"
1 14 PHE 0.000 0.000 . 0 "[ ]"
1 15 GLU 0.000 0.000 . 0 "[ ]"
1 17 TYR 0.000 0.000 . 0 "[ ]"
1 18 ALA 0.000 0.000 . 0 "[ ]"
1 19 ALA 0.000 0.000 . 0 "[ ]"
1 21 GLU 0.000 0.000 . 0 "[ ]"
1 23 ASP 0.000 0.000 . 0 "[ ]"
1 25 ASN 0.000 0.000 . 0 "[ ]"
1 28 SER 0.077 0.077 1 0 "[ ]"
1 31 GLU 0.000 0.000 . 0 "[ ]"
1 32 LEU 0.096 0.077 1 0 "[ ]"
1 35 LEU 0.177 0.177 1 0 "[ ]"
1 36 LEU 0.019 0.019 1 0 "[ ]"
1 39 GLU 0.177 0.177 1 0 "[ ]"
1 42 SER 0.028 0.028 1 0 "[ ]"
1 45 LYS 0.028 0.028 1 0 "[ ]"
1 49 THR 0.000 0.000 . 0 "[ ]"
1 53 LEU 0.009 0.009 1 0 "[ ]"
1 57 LEU 0.009 0.009 1 0 "[ ]"
1 75 LYS 0.000 0.000 . 0 "[ ]"
1 79 GLN 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 7 PRO O 1 10 LEU H . . 2.200 2.207 2.207 2.207 0.007 1 0 "[ ]" 3
2 1 7 PRO O 1 10 LEU N . 2.600 3.300 2.902 2.902 2.902 . 0 0 "[ ]" 3
3 1 9 GLU O 1 13 ILE H . . 2.200 1.734 1.734 1.734 . 0 0 "[ ]" 3
4 1 9 GLU O 1 13 ILE N . 2.600 3.300 2.695 2.695 2.695 . 0 0 "[ ]" 3
5 1 10 LEU O 1 14 PHE H . . 2.200 1.874 1.874 1.874 . 0 0 "[ ]" 3
6 1 10 LEU O 1 14 PHE N . 2.600 3.300 2.776 2.776 2.776 . 0 0 "[ ]" 3
7 1 14 PHE O 1 17 TYR H . . 2.200 2.129 2.129 2.129 . 0 0 "[ ]" 3
8 1 14 PHE O 1 17 TYR N . 2.600 3.300 2.941 2.941 2.941 . 0 0 "[ ]" 3
9 1 14 PHE O 1 18 ALA H . . 2.200 1.650 1.650 1.650 . 0 0 "[ ]" 3
10 1 14 PHE O 1 18 ALA N . 2.600 3.300 2.603 2.603 2.603 . 0 0 "[ ]" 3
11 1 15 GLU O 1 19 ALA H . . 2.200 1.757 1.757 1.757 . 0 0 "[ ]" 3
12 1 15 GLU O 1 19 ALA N . 2.600 3.300 2.612 2.612 2.612 . 0 0 "[ ]" 3
13 1 21 GLU H 1 31 GLU OE2 . . 2.200 1.812 1.812 1.812 . 0 0 "[ ]" 3
14 1 21 GLU N 1 31 GLU OE2 . 2.600 3.300 2.666 2.666 2.666 . 0 0 "[ ]" 3
15 1 23 ASP OD1 1 25 ASN H . . 2.200 2.197 2.197 2.197 . 0 0 "[ ]" 3
16 1 23 ASP OD1 1 25 ASN N . 2.600 3.300 3.069 3.069 3.069 . 0 0 "[ ]" 3
17 1 28 SER O 1 32 LEU H . . 2.200 1.549 1.549 1.549 . 0 0 "[ ]" 3
18 1 28 SER O 1 32 LEU N . 2.600 3.300 2.523 2.523 2.523 0.077 1 0 "[ ]" 3
19 1 32 LEU O 1 36 LEU H . . 2.200 1.648 1.648 1.648 . 0 0 "[ ]" 3
20 1 32 LEU O 1 36 LEU N . 2.600 3.300 2.581 2.581 2.581 0.019 1 0 "[ ]" 3
21 1 35 LEU O 1 39 GLU H . . 2.200 1.686 1.686 1.686 . 0 0 "[ ]" 3
22 1 35 LEU O 1 39 GLU N . 2.600 3.300 2.423 2.423 2.423 0.177 1 0 "[ ]" 3
23 1 42 SER O 1 45 LYS H . . 2.200 2.228 2.228 2.228 0.028 1 0 "[ ]" 3
24 1 42 SER O 1 45 LYS N . 2.600 3.300 3.051 3.051 3.051 . 0 0 "[ ]" 3
25 1 49 THR O 1 53 LEU H . . 2.200 1.706 1.706 1.706 . 0 0 "[ ]" 3
26 1 49 THR O 1 53 LEU N . 2.600 3.300 2.638 2.638 2.638 . 0 0 "[ ]" 3
27 1 53 LEU O 1 57 LEU H . . 2.200 1.593 1.593 1.593 . 0 0 "[ ]" 3
28 1 53 LEU O 1 57 LEU N . 2.600 3.300 2.591 2.591 2.591 0.009 1 0 "[ ]" 3
29 1 75 LYS O 1 79 GLN H . . 2.200 2.183 2.183 2.183 . 0 0 "[ ]" 3
30 1 75 LYS O 1 79 GLN N . 2.600 3.300 3.097 3.097 3.097 . 0 0 "[ ]" 3
stop_
save_
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