NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
383664 |
1k3h   |
5597 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1k3h
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 1352
_Distance_constraint_stats_list.Viol_count 20
_Distance_constraint_stats_list.Viol_total 0.907
_Distance_constraint_stats_list.Viol_max 0.227
_Distance_constraint_stats_list.Viol_rms 0.0080
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0454
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 VAL 0.000 0.000 . 0 "[ ]"
1 2 ASP 0.000 0.000 . 0 "[ ]"
1 3 ALA 0.000 0.000 . 0 "[ ]"
1 4 GLU 0.018 0.018 1 0 "[ ]"
1 5 ALA 0.000 0.000 . 0 "[ ]"
1 6 VAL 0.000 0.000 . 0 "[ ]"
1 7 VAL 0.000 0.000 . 0 "[ ]"
1 8 GLN 0.051 0.051 1 0 "[ ]"
1 9 GLN 0.051 0.051 1 0 "[ ]"
1 10 LYS 0.000 0.000 . 0 "[ ]"
1 11 CYS 0.000 0.000 . 0 "[ ]"
1 12 ILE 0.026 0.026 1 0 "[ ]"
1 13 SER 0.000 0.000 . 0 "[ ]"
1 14 CYS 0.000 0.000 . 0 "[ ]"
1 15 HIS 0.044 0.026 1 0 "[ ]"
1 16 GLY 0.000 0.000 . 0 "[ ]"
1 17 GLY 0.000 0.000 . 0 "[ ]"
1 18 ASP 0.013 0.013 1 0 "[ ]"
1 19 LEU 0.013 0.013 1 0 "[ ]"
1 20 THR 0.000 0.000 . 0 "[ ]"
1 21 GLY 0.044 0.026 1 0 "[ ]"
1 22 ALA 0.000 0.000 . 0 "[ ]"
1 23 SER 0.000 0.000 . 0 "[ ]"
1 24 ALA 0.000 0.000 . 0 "[ ]"
1 25 PRO 0.000 0.000 . 0 "[ ]"
1 26 ALA 0.000 0.000 . 0 "[ ]"
1 27 ILE 0.000 0.000 . 0 "[ ]"
1 28 ASP 0.026 0.026 1 0 "[ ]"
1 29 LYS 0.000 0.000 . 0 "[ ]"
1 30 ALA 0.000 0.000 . 0 "[ ]"
1 31 GLY 0.000 0.000 . 0 "[ ]"
1 32 ALA 0.000 0.000 . 0 "[ ]"
1 33 ASN 0.000 0.000 . 0 "[ ]"
1 34 TYR 0.003 0.003 1 0 "[ ]"
1 35 SER 0.036 0.024 1 0 "[ ]"
1 36 GLU 0.034 0.034 1 0 "[ ]"
1 37 GLU 0.000 0.000 . 0 "[ ]"
1 38 GLU 0.099 0.059 1 0 "[ ]"
1 39 ILE 0.160 0.089 1 0 "[ ]"
1 40 LEU 0.012 0.012 1 0 "[ ]"
1 41 ASP 0.000 0.000 . 0 "[ ]"
1 42 ILE 0.117 0.083 1 0 "[ ]"
1 43 ILE 0.000 0.000 . 0 "[ ]"
1 44 LEU 0.035 0.035 1 0 "[ ]"
1 45 ASN 0.035 0.035 1 0 "[ ]"
1 46 GLY 0.311 0.227 1 0 "[ ]"
1 47 GLN 0.034 0.034 1 0 "[ ]"
1 48 GLY 0.000 0.000 . 0 "[ ]"
1 49 GLY 0.000 0.000 . 0 "[ ]"
1 50 MET 0.000 0.000 . 0 "[ ]"
1 51 PRO 0.000 0.000 . 0 "[ ]"
1 52 GLY 0.000 0.000 . 0 "[ ]"
1 53 GLY 0.052 0.052 1 0 "[ ]"
1 54 ILE 0.227 0.227 1 0 "[ ]"
1 55 ALA 0.052 0.052 1 0 "[ ]"
1 56 LYS 0.000 0.000 . 0 "[ ]"
1 57 GLY 0.000 0.000 . 0 "[ ]"
1 58 ALA 0.026 0.026 1 0 "[ ]"
1 59 GLU 0.000 0.000 . 0 "[ ]"
1 60 ALA 0.000 0.000 . 0 "[ ]"
1 61 GLU 0.026 0.026 1 0 "[ ]"
1 62 ALA 0.000 0.000 . 0 "[ ]"
1 63 VAL 0.000 0.000 . 0 "[ ]"
1 64 ALA 0.000 0.000 . 0 "[ ]"
1 65 ALA 0.000 0.000 . 0 "[ ]"
1 66 TRP 0.082 0.064 1 0 "[ ]"
1 67 LEU 0.064 0.064 1 0 "[ ]"
1 68 ALA 0.000 0.000 . 0 "[ ]"
1 69 GLU 0.000 0.000 . 0 "[ ]"
1 70 LYS 0.000 0.000 . 0 "[ ]"
1 71 LYS 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 1 VAL H1 1 1 VAL HB . . 4.140 3.527 3.527 3.527 . 0 0 "[ ]" 1
2 1 1 VAL H1 1 2 ASP H . . 5.500 3.887 3.887 3.887 . 0 0 "[ ]" 1
3 1 1 VAL HA 1 2 ASP H . . 3.390 2.271 2.271 2.271 . 0 0 "[ ]" 1
4 1 1 VAL HB 1 2 ASP H . . 5.220 4.203 4.203 4.203 . 0 0 "[ ]" 1
5 1 1 VAL HB 1 59 GLU HA . . 5.500 2.854 2.854 2.854 . 0 0 "[ ]" 1
6 1 1 VAL HB 1 62 ALA H . . 5.500 4.536 4.536 4.536 . 0 0 "[ ]" 1
7 1 1 VAL HB 1 62 ALA MB . . 4.640 2.927 2.927 2.927 . 0 0 "[ ]" 1
8 1 1 VAL MG1 1 2 ASP H . . 6.430 2.369 2.369 2.369 . 0 0 "[ ]" 1
9 1 1 VAL MG1 1 58 ALA MB . . 7.560 4.042 4.042 4.042 . 0 0 "[ ]" 1
10 1 1 VAL MG1 1 59 GLU H . . 6.500 4.082 4.082 4.082 . 0 0 "[ ]" 1
11 1 1 VAL MG1 1 59 GLU HA . . 4.140 2.265 2.265 2.265 . 0 0 "[ ]" 1
12 1 1 VAL MG1 1 59 GLU HB2 . . 5.010 3.496 3.496 3.496 . 0 0 "[ ]" 1
13 1 1 VAL MG1 1 59 GLU HG2 . . 9.460 3.318 3.318 3.318 . 0 0 "[ ]" 1
14 1 1 VAL MG1 1 59 GLU HG3 . . 9.460 2.254 2.254 2.254 . 0 0 "[ ]" 1
15 1 1 VAL MG1 1 62 ALA MB . . 6.530 3.086 3.086 3.086 . 0 0 "[ ]" 1
16 1 1 VAL MG2 1 2 ASP H . . 6.430 3.645 3.645 3.645 . 0 0 "[ ]" 1
17 1 1 VAL MG2 1 58 ALA MB . . 7.560 2.619 2.619 2.619 . 0 0 "[ ]" 1
18 1 1 VAL MG2 1 59 GLU H . . 6.500 3.703 3.703 3.703 . 0 0 "[ ]" 1
19 1 1 VAL MG2 1 59 GLU HA . . 4.140 3.405 3.405 3.405 . 0 0 "[ ]" 1
20 1 1 VAL MG2 1 59 GLU HB2 . . 5.010 3.739 3.739 3.739 . 0 0 "[ ]" 1
21 1 1 VAL MG2 1 59 GLU HG2 . . 9.460 4.955 4.955 4.955 . 0 0 "[ ]" 1
22 1 1 VAL MG2 1 59 GLU HG3 . . 9.460 3.667 3.667 3.667 . 0 0 "[ ]" 1
23 1 1 VAL MG2 1 62 ALA MB . . 6.530 4.161 4.161 4.161 . 0 0 "[ ]" 1
24 1 1 VAL QG 1 2 ASP H . . 5.490 2.341 2.341 2.341 . 0 0 "[ ]" 1
25 1 1 VAL QG 1 2 ASP HA . . 7.900 3.964 3.964 3.964 . 0 0 "[ ]" 1
26 1 1 VAL QG 1 2 ASP QB . . 8.970 3.449 3.449 3.449 . 0 0 "[ ]" 1
27 1 1 VAL QG 1 3 ALA H . . 7.590 3.852 3.852 3.852 . 0 0 "[ ]" 1
28 1 1 VAL QG 1 3 ALA HA . . 6.440 3.658 3.658 3.658 . 0 0 "[ ]" 1
29 1 1 VAL QG 1 5 ALA MB . . 8.620 3.934 3.934 3.934 . 0 0 "[ ]" 1
30 1 1 VAL QG 1 6 VAL HB . . 8.090 3.708 3.708 3.708 . 0 0 "[ ]" 1
31 1 1 VAL QG 1 58 ALA MB . . 6.820 2.588 2.588 2.588 . 0 0 "[ ]" 1
32 1 1 VAL QG 1 59 GLU H . . 5.980 3.439 3.439 3.439 . 0 0 "[ ]" 1
33 1 1 VAL QG 1 59 GLU HB3 . . 8.090 4.117 4.117 4.117 . 0 0 "[ ]" 1
34 1 1 VAL QG 1 59 GLU QG . . 7.070 2.198 2.198 2.198 . 0 0 "[ ]" 1
35 1 1 VAL QG 1 62 ALA H . . 8.090 4.649 4.649 4.649 . 0 0 "[ ]" 1
36 1 1 VAL QG 1 62 ALA MB . . 5.890 3.008 3.008 3.008 . 0 0 "[ ]" 1
37 1 2 ASP H 1 5 ALA MB . . 6.530 3.906 3.906 3.906 . 0 0 "[ ]" 1
38 1 2 ASP H 1 6 VAL MG2 . . 6.530 3.859 3.859 3.859 . 0 0 "[ ]" 1
39 1 2 ASP HA 1 3 ALA H . . 3.080 2.203 2.203 2.203 . 0 0 "[ ]" 1
40 1 2 ASP HA 1 3 ALA HA . . 5.470 4.541 4.541 4.541 . 0 0 "[ ]" 1
41 1 2 ASP HA 1 3 ALA MB . . 5.850 3.919 3.919 3.919 . 0 0 "[ ]" 1
42 1 2 ASP HA 1 4 GLU H . . 4.880 3.842 3.842 3.842 . 0 0 "[ ]" 1
43 1 2 ASP HA 1 5 ALA H . . 5.500 4.214 4.214 4.214 . 0 0 "[ ]" 1
44 1 2 ASP HB2 1 5 ALA H . . 5.500 3.471 3.471 3.471 . 0 0 "[ ]" 1
45 1 2 ASP HB2 1 5 ALA MB . . 5.100 2.157 2.157 2.157 . 0 0 "[ ]" 1
46 1 2 ASP HB3 1 5 ALA H . . 5.500 2.503 2.503 2.503 . 0 0 "[ ]" 1
47 1 2 ASP HB3 1 5 ALA MB . . 5.100 2.429 2.429 2.429 . 0 0 "[ ]" 1
48 1 2 ASP QB 1 5 ALA H . . 5.020 2.449 2.449 2.449 . 0 0 "[ ]" 1
49 1 2 ASP QB 1 5 ALA MB . . 4.530 2.018 2.018 2.018 . 0 0 "[ ]" 1
50 1 3 ALA H 1 4 GLU H . . 3.890 3.069 3.069 3.069 . 0 0 "[ ]" 1
51 1 3 ALA H 1 4 GLU QG . . 6.380 4.027 4.027 4.027 . 0 0 "[ ]" 1
52 1 3 ALA H 1 5 ALA H . . 5.500 4.489 4.489 4.489 . 0 0 "[ ]" 1
53 1 3 ALA H 1 62 ALA MB . . 5.540 2.810 2.810 2.810 . 0 0 "[ ]" 1
54 1 3 ALA H 1 66 TRP QB . . 6.380 4.483 4.483 4.483 . 0 0 "[ ]" 1
55 1 3 ALA HA 1 5 ALA H . . 5.100 4.706 4.706 4.706 . 0 0 "[ ]" 1
56 1 3 ALA HA 1 6 VAL H . . 5.130 3.783 3.783 3.783 . 0 0 "[ ]" 1
57 1 3 ALA HA 1 6 VAL HB . . 3.830 2.808 2.808 2.808 . 0 0 "[ ]" 1
58 1 3 ALA HA 1 6 VAL MG2 . . 4.140 3.383 3.383 3.383 . 0 0 "[ ]" 1
59 1 3 ALA HA 1 62 ALA MB . . 5.230 2.864 2.864 2.864 . 0 0 "[ ]" 1
60 1 3 ALA HA 1 63 VAL MG2 . . 4.510 2.308 2.308 2.308 . 0 0 "[ ]" 1
61 1 3 ALA MB 1 4 GLU H . . 4.390 2.309 2.309 2.309 . 0 0 "[ ]" 1
62 1 3 ALA MB 1 4 GLU HA . . 6.030 3.704 3.704 3.704 . 0 0 "[ ]" 1
63 1 3 ALA MB 1 7 VAL MG2 . . 7.120 3.387 3.387 3.387 . 0 0 "[ ]" 1
64 1 3 ALA MB 1 62 ALA MB . . 5.600 2.291 2.291 2.291 . 0 0 "[ ]" 1
65 1 3 ALA MB 1 63 VAL H . . 6.190 3.605 3.605 3.605 . 0 0 "[ ]" 1
66 1 3 ALA MB 1 63 VAL HA . . 3.710 2.181 2.181 2.181 . 0 0 "[ ]" 1
67 1 3 ALA MB 1 63 VAL MG2 . . 6.720 2.860 2.860 2.860 . 0 0 "[ ]" 1
68 1 3 ALA MB 1 66 TRP H . . 5.350 3.472 3.472 3.472 . 0 0 "[ ]" 1
69 1 3 ALA MB 1 66 TRP HA . . 5.600 4.167 4.167 4.167 . 0 0 "[ ]" 1
70 1 3 ALA MB 1 66 TRP HB2 . . 4.170 2.269 2.269 2.269 . 0 0 "[ ]" 1
71 1 3 ALA MB 1 66 TRP HB3 . . 4.170 2.237 2.237 2.237 . 0 0 "[ ]" 1
72 1 3 ALA MB 1 66 TRP HD1 . . 4.820 3.262 3.262 3.262 . 0 0 "[ ]" 1
73 1 3 ALA MB 1 66 TRP HE3 . . 5.500 3.072 3.072 3.072 . 0 0 "[ ]" 1
74 1 3 ALA MB 1 66 TRP HE1 . . 6.280 3.981 3.981 3.981 . 0 0 "[ ]" 1
75 1 3 ALA MB 1 67 LEU H . . 5.690 4.237 4.237 4.237 . 0 0 "[ ]" 1
76 1 4 GLU H 1 4 GLU HG2 . . 3.730 2.002 2.002 2.002 . 0 0 "[ ]" 1
77 1 4 GLU H 1 4 GLU HG3 . . 3.730 2.124 2.124 2.124 . 0 0 "[ ]" 1
78 1 4 GLU H 1 5 ALA H . . 3.610 2.759 2.759 2.759 . 0 0 "[ ]" 1
79 1 4 GLU H 1 66 TRP HE1 . . 5.500 4.362 4.362 4.362 . 0 0 "[ ]" 1
80 1 4 GLU HA 1 4 GLU HG2 . . 3.890 3.057 3.057 3.057 . 0 0 "[ ]" 1
81 1 4 GLU HA 1 4 GLU HG3 . . 3.890 3.810 3.810 3.810 . 0 0 "[ ]" 1
82 1 4 GLU HA 1 4 GLU QG . . 3.710 2.939 2.939 2.939 . 0 0 "[ ]" 1
83 1 4 GLU HA 1 5 ALA HA . . 5.500 4.857 4.857 4.857 . 0 0 "[ ]" 1
84 1 4 GLU HA 1 7 VAL H . . 4.200 3.473 3.473 3.473 . 0 0 "[ ]" 1
85 1 4 GLU HA 1 7 VAL HB . . 3.080 2.441 2.441 2.441 . 0 0 "[ ]" 1
86 1 4 GLU HA 1 7 VAL MG1 . . 5.290 3.612 3.612 3.612 . 0 0 "[ ]" 1
87 1 4 GLU HA 1 7 VAL MG2 . . 4.790 3.286 3.286 3.286 . 0 0 "[ ]" 1
88 1 4 GLU HA 1 8 GLN H . . 5.190 3.855 3.855 3.855 . 0 0 "[ ]" 1
89 1 4 GLU HA 1 66 TRP HE3 . . 5.500 4.669 4.669 4.669 . 0 0 "[ ]" 1
90 1 4 GLU HA 1 66 TRP HE1 . . 5.500 4.735 4.735 4.735 . 0 0 "[ ]" 1
91 1 4 GLU HA 1 66 TRP HZ3 . . 5.500 4.153 4.153 4.153 . 0 0 "[ ]" 1
92 1 4 GLU HA 1 66 TRP HZ2 . . 5.500 3.535 3.535 3.535 . 0 0 "[ ]" 1
93 1 4 GLU HA 1 66 TRP HH2 . . 5.500 3.554 3.554 3.554 . 0 0 "[ ]" 1
94 1 4 GLU HB2 1 5 ALA H . . 5.500 2.878 2.878 2.878 . 0 0 "[ ]" 1
95 1 4 GLU HB2 1 8 GLN HG3 . . 5.500 4.232 4.232 4.232 . 0 0 "[ ]" 1
96 1 4 GLU HB2 1 66 TRP HE1 . . 5.500 4.952 4.952 4.952 . 0 0 "[ ]" 1
97 1 4 GLU HB2 1 66 TRP HZ2 . . 5.500 4.339 4.339 4.339 . 0 0 "[ ]" 1
98 1 4 GLU HB2 1 66 TRP HH2 . . 5.500 5.518 5.518 5.518 0.018 1 0 "[ ]" 1
99 1 4 GLU HB3 1 5 ALA H . . 5.500 4.125 4.125 4.125 . 0 0 "[ ]" 1
100 1 4 GLU HB3 1 8 GLN HG3 . . 5.500 4.656 4.656 4.656 . 0 0 "[ ]" 1
101 1 4 GLU HB3 1 66 TRP HE1 . . 5.500 3.908 3.908 3.908 . 0 0 "[ ]" 1
102 1 4 GLU HB3 1 66 TRP HZ2 . . 5.500 2.631 2.631 2.631 . 0 0 "[ ]" 1
103 1 4 GLU HB3 1 66 TRP HH2 . . 5.500 3.877 3.877 3.877 . 0 0 "[ ]" 1
104 1 4 GLU QB 1 8 GLN H . . 6.380 4.565 4.565 4.565 . 0 0 "[ ]" 1
105 1 4 GLU QB 1 66 TRP HZ2 . . 5.140 2.610 2.610 2.610 . 0 0 "[ ]" 1
106 1 4 GLU QB 1 66 TRP HH2 . . 5.150 3.804 3.804 3.804 . 0 0 "[ ]" 1
107 1 4 GLU HG2 1 5 ALA H . . 4.820 4.236 4.236 4.236 . 0 0 "[ ]" 1
108 1 4 GLU HG2 1 66 TRP HE1 . . 5.500 2.458 2.458 2.458 . 0 0 "[ ]" 1
109 1 4 GLU HG2 1 66 TRP HZ2 . . 5.500 3.424 3.424 3.424 . 0 0 "[ ]" 1
110 1 4 GLU HG3 1 5 ALA H . . 4.820 3.360 3.360 3.360 . 0 0 "[ ]" 1
111 1 4 GLU HG3 1 66 TRP HE1 . . 5.500 3.861 3.861 3.861 . 0 0 "[ ]" 1
112 1 4 GLU HG3 1 66 TRP HZ2 . . 5.500 4.743 4.743 4.743 . 0 0 "[ ]" 1
113 1 4 GLU QG 1 5 ALA H . . 4.420 3.238 3.238 3.238 . 0 0 "[ ]" 1
114 1 4 GLU QG 1 66 TRP HE1 . . 5.110 2.432 2.432 2.432 . 0 0 "[ ]" 1
115 1 4 GLU QG 1 66 TRP HZ2 . . 5.100 3.350 3.350 3.350 . 0 0 "[ ]" 1
116 1 4 GLU QG 1 66 TRP HH2 . . 6.380 4.936 4.936 4.936 . 0 0 "[ ]" 1
117 1 5 ALA H 1 5 ALA MB . . 3.610 2.249 2.249 2.249 . 0 0 "[ ]" 1
118 1 5 ALA H 1 6 VAL H . . 4.540 2.731 2.731 2.731 . 0 0 "[ ]" 1
119 1 5 ALA H 1 6 VAL HA . . 5.500 5.373 5.373 5.373 . 0 0 "[ ]" 1
120 1 5 ALA H 1 6 VAL HB . . 5.500 4.734 4.734 4.734 . 0 0 "[ ]" 1
121 1 5 ALA H 1 6 VAL MG2 . . 5.660 4.388 4.388 4.388 . 0 0 "[ ]" 1
122 1 5 ALA H 1 7 VAL H . . 5.340 4.268 4.268 4.268 . 0 0 "[ ]" 1
123 1 5 ALA H 1 8 GLN H . . 5.500 4.711 4.711 4.711 . 0 0 "[ ]" 1
124 1 5 ALA HA 1 7 VAL H . . 5.500 4.697 4.697 4.697 . 0 0 "[ ]" 1
125 1 5 ALA HA 1 8 GLN H . . 4.140 3.603 3.603 3.603 . 0 0 "[ ]" 1
126 1 5 ALA HA 1 8 GLN HB2 . . 3.670 2.439 2.439 2.439 . 0 0 "[ ]" 1
127 1 5 ALA HA 1 8 GLN HB3 . . 4.070 3.975 3.975 3.975 . 0 0 "[ ]" 1
128 1 5 ALA HA 1 8 GLN HG2 . . 5.470 3.938 3.938 3.938 . 0 0 "[ ]" 1
129 1 5 ALA HA 1 8 GLN HG3 . . 5.500 3.332 3.332 3.332 . 0 0 "[ ]" 1
130 1 5 ALA HA 1 9 GLN H . . 5.340 4.707 4.707 4.707 . 0 0 "[ ]" 1
131 1 5 ALA MB 1 6 VAL HA . . 5.940 3.891 3.891 3.891 . 0 0 "[ ]" 1
132 1 5 ALA MB 1 8 GLN HB2 . . 6.280 3.973 3.973 3.973 . 0 0 "[ ]" 1
133 1 5 ALA MB 1 9 GLN H . . 6.280 5.091 5.091 5.091 . 0 0 "[ ]" 1
134 1 6 VAL H 1 6 VAL HB . . 4.040 2.409 2.409 2.409 . 0 0 "[ ]" 1
135 1 6 VAL H 1 6 VAL MG2 . . 4.610 2.239 2.239 2.239 . 0 0 "[ ]" 1
136 1 6 VAL H 1 7 VAL H . . 4.480 2.838 2.838 2.838 . 0 0 "[ ]" 1
137 1 6 VAL H 1 63 VAL MG2 . . 6.530 4.081 4.081 4.081 . 0 0 "[ ]" 1
138 1 6 VAL HA 1 8 GLN H . . 5.500 4.619 4.619 4.619 . 0 0 "[ ]" 1
139 1 6 VAL HA 1 9 GLN H . . 4.290 3.424 3.424 3.424 . 0 0 "[ ]" 1
140 1 6 VAL HA 1 9 GLN QB . . 4.460 3.760 3.760 3.760 . 0 0 "[ ]" 1
141 1 6 VAL HA 1 9 GLN QG . . 6.380 5.731 5.731 5.731 . 0 0 "[ ]" 1
142 1 6 VAL HA 1 10 LYS QB . . 5.920 3.993 3.993 3.993 . 0 0 "[ ]" 1
143 1 6 VAL HA 1 10 LYS QE . . 6.380 4.118 4.118 4.118 . 0 0 "[ ]" 1
144 1 6 VAL HA 1 63 VAL MG2 . . 6.530 4.503 4.503 4.503 . 0 0 "[ ]" 1
145 1 6 VAL HB 1 7 VAL H . . 3.550 2.422 2.422 2.422 . 0 0 "[ ]" 1
146 1 6 VAL HB 1 7 VAL MG2 . . 5.100 3.287 3.287 3.287 . 0 0 "[ ]" 1
147 1 6 VAL HB 1 63 VAL MG1 . . 6.530 4.445 4.445 4.445 . 0 0 "[ ]" 1
148 1 6 VAL HB 1 63 VAL MG2 . . 3.890 2.306 2.306 2.306 . 0 0 "[ ]" 1
149 1 6 VAL MG1 1 7 VAL H . . 5.290 3.078 3.078 3.078 . 0 0 "[ ]" 1
150 1 6 VAL MG1 1 7 VAL HA . . 4.950 3.155 3.155 3.155 . 0 0 "[ ]" 1
151 1 6 VAL MG1 1 9 GLN H . . 6.530 4.295 4.295 4.295 . 0 0 "[ ]" 1
152 1 6 VAL MG1 1 9 GLN QB . . 6.910 4.911 4.911 4.911 . 0 0 "[ ]" 1
153 1 6 VAL MG1 1 10 LYS H . . 6.220 4.609 4.609 4.609 . 0 0 "[ ]" 1
154 1 6 VAL MG1 1 10 LYS HB2 . . 5.970 2.612 2.612 2.612 . 0 0 "[ ]" 1
155 1 6 VAL MG1 1 10 LYS HB3 . . 5.970 3.606 3.606 3.606 . 0 0 "[ ]" 1
156 1 6 VAL MG1 1 10 LYS QB . . 5.110 2.554 2.554 2.554 . 0 0 "[ ]" 1
157 1 6 VAL MG1 1 10 LYS HG2 . . 5.440 3.999 3.999 3.999 . 0 0 "[ ]" 1
158 1 6 VAL MG1 1 10 LYS HG3 . . 5.440 4.412 4.412 4.412 . 0 0 "[ ]" 1
159 1 6 VAL MG1 1 10 LYS QG . . 5.080 3.715 3.715 3.715 . 0 0 "[ ]" 1
160 1 6 VAL MG1 1 10 LYS QD . . 5.300 2.010 2.010 2.010 . 0 0 "[ ]" 1
161 1 6 VAL MG1 1 10 LYS QE . . 5.920 3.469 3.469 3.469 . 0 0 "[ ]" 1
162 1 6 VAL MG1 1 59 GLU HA . . 6.530 3.649 3.649 3.649 . 0 0 "[ ]" 1
163 1 6 VAL MG1 1 59 GLU HB2 . . 5.540 4.478 4.478 4.478 . 0 0 "[ ]" 1
164 1 6 VAL MG1 1 59 GLU HB3 . . 5.850 3.751 3.751 3.751 . 0 0 "[ ]" 1
165 1 6 VAL MG1 1 59 GLU HG2 . . 4.950 1.982 1.982 1.982 . 0 0 "[ ]" 1
166 1 6 VAL MG1 1 59 GLU HG3 . . 4.950 3.210 3.210 3.210 . 0 0 "[ ]" 1
167 1 6 VAL MG1 1 59 GLU QG . . 4.580 1.964 1.964 1.964 . 0 0 "[ ]" 1
168 1 6 VAL MG1 1 63 VAL MG1 . . 7.560 3.519 3.519 3.519 . 0 0 "[ ]" 1
169 1 6 VAL MG1 1 63 VAL MG2 . . 5.630 1.929 1.929 1.929 . 0 0 "[ ]" 1
170 1 6 VAL MG2 1 7 VAL H . . 5.230 3.887 3.887 3.887 . 0 0 "[ ]" 1
171 1 6 VAL MG2 1 9 GLN QB . . 7.310 5.097 5.097 5.097 . 0 0 "[ ]" 1
172 1 6 VAL MG2 1 10 LYS QE . . 7.040 3.928 3.928 3.928 . 0 0 "[ ]" 1
173 1 6 VAL MG2 1 59 GLU HA . . 4.820 2.608 2.608 2.608 . 0 0 "[ ]" 1
174 1 6 VAL MG2 1 59 GLU HB2 . . 4.730 3.964 3.964 3.964 . 0 0 "[ ]" 1
175 1 6 VAL MG2 1 59 GLU HB3 . . 6.000 4.036 4.036 4.036 . 0 0 "[ ]" 1
176 1 6 VAL MG2 1 59 GLU HG2 . . 4.730 2.124 2.124 2.124 . 0 0 "[ ]" 1
177 1 6 VAL MG2 1 59 GLU HG3 . . 4.730 2.159 2.159 2.159 . 0 0 "[ ]" 1
178 1 6 VAL MG2 1 59 GLU QG . . 4.510 1.907 1.907 1.907 . 0 0 "[ ]" 1
179 1 6 VAL MG2 1 63 VAL MG1 . . 7.560 5.152 5.152 5.152 . 0 0 "[ ]" 1
180 1 6 VAL MG2 1 63 VAL MG2 . . 6.100 2.985 2.985 2.985 . 0 0 "[ ]" 1
181 1 7 VAL H 1 7 VAL HB . . 3.170 2.255 2.255 2.255 . 0 0 "[ ]" 1
182 1 7 VAL H 1 7 VAL MG1 . . 4.790 3.706 3.706 3.706 . 0 0 "[ ]" 1
183 1 7 VAL H 1 7 VAL MG2 . . 3.860 2.280 2.280 2.280 . 0 0 "[ ]" 1
184 1 7 VAL H 1 8 GLN H . . 4.690 2.819 2.819 2.819 . 0 0 "[ ]" 1
185 1 7 VAL H 1 63 VAL MG1 . . 6.530 4.284 4.284 4.284 . 0 0 "[ ]" 1
186 1 7 VAL H 1 63 VAL MG2 . . 5.100 2.971 2.971 2.971 . 0 0 "[ ]" 1
187 1 7 VAL H 1 66 TRP HZ3 . . 5.500 5.287 5.287 5.287 . 0 0 "[ ]" 1
188 1 7 VAL HA 1 9 GLN H . . 5.500 3.825 3.825 3.825 . 0 0 "[ ]" 1
189 1 7 VAL HA 1 10 LYS H . . 4.480 3.602 3.602 3.602 . 0 0 "[ ]" 1
190 1 7 VAL HA 1 10 LYS QB . . 5.600 3.423 3.423 3.423 . 0 0 "[ ]" 1
191 1 7 VAL HA 1 11 CYS H . . 3.980 2.467 2.467 2.467 . 0 0 "[ ]" 1
192 1 7 VAL HA 1 11 CYS HB2 . . 5.500 2.914 2.914 2.914 . 0 0 "[ ]" 1
193 1 7 VAL HA 1 11 CYS HB3 . . 5.500 4.231 4.231 4.231 . 0 0 "[ ]" 1
194 1 7 VAL HA 1 11 CYS QB . . 5.080 2.865 2.865 2.865 . 0 0 "[ ]" 1
195 1 7 VAL HA 1 63 VAL MG1 . . 6.000 3.818 3.818 3.818 . 0 0 "[ ]" 1
196 1 7 VAL HA 1 63 VAL MG2 . . 5.190 3.587 3.587 3.587 . 0 0 "[ ]" 1
197 1 7 VAL HB 1 8 GLN H . . 3.480 2.587 2.587 2.587 . 0 0 "[ ]" 1
198 1 7 VAL HB 1 8 GLN HA . . 5.220 4.698 4.698 4.698 . 0 0 "[ ]" 1
199 1 7 VAL HB 1 8 GLN HG2 . . 5.500 3.706 3.706 3.706 . 0 0 "[ ]" 1
200 1 7 VAL HB 1 19 LEU QD . . 7.790 3.904 3.904 3.904 . 0 0 "[ ]" 1
201 1 7 VAL HB 1 63 VAL MG1 . . 6.250 4.316 4.316 4.316 . 0 0 "[ ]" 1
202 1 7 VAL HB 1 63 VAL MG2 . . 6.530 3.927 3.927 3.927 . 0 0 "[ ]" 1
203 1 7 VAL HB 1 66 TRP HZ3 . . 5.500 3.531 3.531 3.531 . 0 0 "[ ]" 1
204 1 7 VAL HB 1 66 TRP HH2 . . 5.440 3.732 3.732 3.732 . 0 0 "[ ]" 1
205 1 7 VAL MG1 1 8 GLN H . . 5.070 3.047 3.047 3.047 . 0 0 "[ ]" 1
206 1 7 VAL MG1 1 8 GLN HA . . 5.720 3.412 3.412 3.412 . 0 0 "[ ]" 1
207 1 7 VAL MG1 1 8 GLN HG2 . . 6.030 3.399 3.399 3.399 . 0 0 "[ ]" 1
208 1 7 VAL MG1 1 8 GLN HG3 . . 6.530 4.943 4.943 4.943 . 0 0 "[ ]" 1
209 1 7 VAL MG1 1 8 GLN HE21 . . 6.160 2.986 2.986 2.986 . 0 0 "[ ]" 1
210 1 7 VAL MG1 1 8 GLN HE22 . . 6.530 4.448 4.448 4.448 . 0 0 "[ ]" 1
211 1 7 VAL MG1 1 9 GLN H . . 6.530 4.698 4.698 4.698 . 0 0 "[ ]" 1
212 1 7 VAL MG1 1 11 CYS H . . 6.030 3.688 3.688 3.688 . 0 0 "[ ]" 1
213 1 7 VAL MG1 1 11 CYS HB2 . . 4.510 2.104 2.104 2.104 . 0 0 "[ ]" 1
214 1 7 VAL MG1 1 11 CYS HB3 . . 4.510 3.440 3.440 3.440 . 0 0 "[ ]" 1
215 1 7 VAL MG1 1 12 ILE H . . 6.160 3.180 3.180 3.180 . 0 0 "[ ]" 1
216 1 7 VAL MG1 1 19 LEU HG . . 5.410 3.678 3.678 3.678 . 0 0 "[ ]" 1
217 1 7 VAL MG1 1 19 LEU MD1 . . 6.320 2.420 2.420 2.420 . 0 0 "[ ]" 1
218 1 7 VAL MG1 1 19 LEU MD2 . . 6.320 1.931 1.931 1.931 . 0 0 "[ ]" 1
219 1 7 VAL MG1 1 19 LEU QD . . 5.960 1.858 1.858 1.858 . 0 0 "[ ]" 1
220 1 7 VAL MG1 1 27 ILE MD . . 7.560 3.573 3.573 3.573 . 0 0 "[ ]" 1
221 1 7 VAL MG1 1 63 VAL MG1 . . 7.560 3.778 3.778 3.778 . 0 0 "[ ]" 1
222 1 7 VAL MG1 1 63 VAL MG2 . . 7.520 4.319 4.319 4.319 . 0 0 "[ ]" 1
223 1 7 VAL MG1 1 66 TRP HE3 . . 6.500 4.221 4.221 4.221 . 0 0 "[ ]" 1
224 1 7 VAL MG1 1 66 TRP HZ3 . . 4.700 2.206 2.206 2.206 . 0 0 "[ ]" 1
225 1 7 VAL MG1 1 66 TRP HZ2 . . 6.530 4.564 4.564 4.564 . 0 0 "[ ]" 1
226 1 7 VAL MG1 1 66 TRP HH2 . . 5.040 2.491 2.491 2.491 . 0 0 "[ ]" 1
227 1 7 VAL MG1 1 67 LEU MD1 . . 7.560 4.019 4.019 4.019 . 0 0 "[ ]" 1
228 1 7 VAL MG1 1 67 LEU MD2 . . 7.560 3.372 3.372 3.372 . 0 0 "[ ]" 1
229 1 7 VAL MG2 1 8 GLN H . . 5.320 3.958 3.958 3.958 . 0 0 "[ ]" 1
230 1 7 VAL MG2 1 8 GLN HG2 . . 6.530 5.164 5.164 5.164 . 0 0 "[ ]" 1
231 1 7 VAL MG2 1 11 CYS HB2 . . 6.250 3.157 3.157 3.157 . 0 0 "[ ]" 1
232 1 7 VAL MG2 1 11 CYS HB3 . . 6.250 3.887 3.887 3.887 . 0 0 "[ ]" 1
233 1 7 VAL MG2 1 11 CYS QB . . 6.050 3.027 3.027 3.027 . 0 0 "[ ]" 1
234 1 7 VAL MG2 1 19 LEU QD . . 8.350 3.265 3.265 3.265 . 0 0 "[ ]" 1
235 1 7 VAL MG2 1 63 VAL HA . . 6.160 3.231 3.231 3.231 . 0 0 "[ ]" 1
236 1 7 VAL MG2 1 63 VAL MG1 . . 5.570 1.971 1.971 1.971 . 0 0 "[ ]" 1
237 1 7 VAL MG2 1 66 TRP HE3 . . 4.850 2.682 2.682 2.682 . 0 0 "[ ]" 1
238 1 7 VAL MG2 1 66 TRP HZ3 . . 4.330 2.209 2.209 2.209 . 0 0 "[ ]" 1
239 1 7 VAL MG2 1 66 TRP HZ2 . . 6.530 5.030 5.030 5.030 . 0 0 "[ ]" 1
240 1 7 VAL MG2 1 66 TRP HH2 . . 5.810 3.705 3.705 3.705 . 0 0 "[ ]" 1
241 1 7 VAL MG2 1 67 LEU MD1 . . 7.560 3.382 3.382 3.382 . 0 0 "[ ]" 1
242 1 7 VAL MG2 1 67 LEU MD2 . . 7.560 3.201 3.201 3.201 . 0 0 "[ ]" 1
243 1 8 GLN H 1 8 GLN HB2 . . 3.300 2.357 2.357 2.357 . 0 0 "[ ]" 1
244 1 8 GLN H 1 8 GLN HB3 . . 3.860 3.551 3.551 3.551 . 0 0 "[ ]" 1
245 1 8 GLN H 1 8 GLN HG2 . . 4.230 2.390 2.390 2.390 . 0 0 "[ ]" 1
246 1 8 GLN H 1 8 GLN HG3 . . 4.910 3.539 3.539 3.539 . 0 0 "[ ]" 1
247 1 8 GLN H 1 9 GLN H . . 3.760 2.884 2.884 2.884 . 0 0 "[ ]" 1
248 1 8 GLN H 1 10 LYS H . . 5.500 4.597 4.597 4.597 . 0 0 "[ ]" 1
249 1 8 GLN H 1 11 CYS H . . 5.160 4.836 4.836 4.836 . 0 0 "[ ]" 1
250 1 8 GLN HA 1 8 GLN HE21 . . 5.500 2.655 2.655 2.655 . 0 0 "[ ]" 1
251 1 8 GLN HA 1 8 GLN HE22 . . 5.500 3.535 3.535 3.535 . 0 0 "[ ]" 1
252 1 8 GLN HA 1 11 CYS H . . 5.340 4.916 4.916 4.916 . 0 0 "[ ]" 1
253 1 8 GLN HA 1 12 ILE H . . 4.820 3.924 3.924 3.924 . 0 0 "[ ]" 1
254 1 8 GLN HA 1 12 ILE MG . . 4.020 2.213 2.213 2.213 . 0 0 "[ ]" 1
255 1 8 GLN HA 1 12 ILE HG12 . . 5.040 2.078 2.078 2.078 . 0 0 "[ ]" 1
256 1 8 GLN HA 1 12 ILE HG13 . . 5.040 2.748 2.748 2.748 . 0 0 "[ ]" 1
257 1 8 GLN HA 1 12 ILE QG . . 4.500 2.020 2.020 2.020 . 0 0 "[ ]" 1
258 1 8 GLN HA 1 12 ILE MD . . 4.230 3.540 3.540 3.540 . 0 0 "[ ]" 1
259 1 8 GLN HB2 1 9 GLN H . . 4.200 3.274 3.274 3.274 . 0 0 "[ ]" 1
260 1 8 GLN HB2 1 9 GLN HA . . 5.500 5.137 5.137 5.137 . 0 0 "[ ]" 1
261 1 8 GLN HB3 1 9 GLN H . . 4.290 3.975 3.975 3.975 . 0 0 "[ ]" 1
262 1 8 GLN HB3 1 9 GLN HA . . 4.760 4.811 4.811 4.811 0.051 1 0 "[ ]" 1
263 1 8 GLN HB3 1 12 ILE MG . . 6.530 4.459 4.459 4.459 . 0 0 "[ ]" 1
264 1 8 GLN HB3 1 12 ILE MD . . 5.850 4.469 4.469 4.469 . 0 0 "[ ]" 1
265 1 8 GLN HG2 1 9 GLN H . . 5.500 4.837 4.837 4.837 . 0 0 "[ ]" 1
266 1 8 GLN HG2 1 12 ILE MG . . 5.600 3.630 3.630 3.630 . 0 0 "[ ]" 1
267 1 8 GLN HG3 1 9 GLN H . . 5.500 5.455 5.455 5.455 . 0 0 "[ ]" 1
268 1 8 GLN HG3 1 12 ILE MG . . 6.000 4.865 4.865 4.865 . 0 0 "[ ]" 1
269 1 8 GLN HG3 1 12 ILE MD . . 6.430 6.142 6.142 6.142 . 0 0 "[ ]" 1
270 1 8 GLN HE21 1 12 ILE MG . . 5.230 2.296 2.296 2.296 . 0 0 "[ ]" 1
271 1 8 GLN HE22 1 12 ILE MG . . 5.690 2.963 2.963 2.963 . 0 0 "[ ]" 1
272 1 8 GLN HE22 1 12 ILE MD . . 6.220 4.481 4.481 4.481 . 0 0 "[ ]" 1
273 1 9 GLN H 1 9 GLN HB2 . . 4.040 2.718 2.718 2.718 . 0 0 "[ ]" 1
274 1 9 GLN H 1 9 GLN HB3 . . 4.040 3.665 3.665 3.665 . 0 0 "[ ]" 1
275 1 9 GLN H 1 9 GLN QB . . 3.540 2.649 2.649 2.649 . 0 0 "[ ]" 1
276 1 9 GLN H 1 10 LYS H . . 3.420 2.603 2.603 2.603 . 0 0 "[ ]" 1
277 1 9 GLN H 1 10 LYS QB . . 5.600 3.883 3.883 3.883 . 0 0 "[ ]" 1
278 1 9 GLN H 1 11 CYS H . . 4.850 3.878 3.878 3.878 . 0 0 "[ ]" 1
279 1 9 GLN QB 1 10 LYS H . . 4.490 3.959 3.959 3.959 . 0 0 "[ ]" 1
280 1 9 GLN QB 1 10 LYS QB . . 7.250 4.559 4.559 4.559 . 0 0 "[ ]" 1
281 1 9 GLN QB 1 10 LYS QG . . 6.070 4.290 4.290 4.290 . 0 0 "[ ]" 1
282 1 9 GLN QB 1 10 LYS QE . . 7.130 3.920 3.920 3.920 . 0 0 "[ ]" 1
283 1 9 GLN QG 1 10 LYS H . . 6.380 4.407 4.407 4.407 . 0 0 "[ ]" 1
284 1 9 GLN QG 1 10 LYS QB . . 7.220 5.811 5.811 5.811 . 0 0 "[ ]" 1
285 1 9 GLN QE 1 10 LYS QE . . 7.240 4.865 4.865 4.865 . 0 0 "[ ]" 1
286 1 10 LYS H 1 10 LYS QB . . 3.700 2.907 2.907 2.907 . 0 0 "[ ]" 1
287 1 10 LYS H 1 10 LYS HG2 . . 5.500 5.195 5.195 5.195 . 0 0 "[ ]" 1
288 1 10 LYS H 1 10 LYS HG3 . . 5.500 4.292 4.292 4.292 . 0 0 "[ ]" 1
289 1 10 LYS H 1 10 LYS QE . . 6.380 5.503 5.503 5.503 . 0 0 "[ ]" 1
290 1 10 LYS H 1 11 CYS H . . 3.420 1.986 1.986 1.986 . 0 0 "[ ]" 1
291 1 10 LYS H 1 11 CYS QB . . 6.380 4.304 4.304 4.304 . 0 0 "[ ]" 1
292 1 10 LYS H 1 12 ILE H . . 5.500 3.136 3.136 3.136 . 0 0 "[ ]" 1
293 1 10 LYS H 1 12 ILE MG . . 6.530 4.358 4.358 4.358 . 0 0 "[ ]" 1
294 1 10 LYS HA 1 10 LYS QG . . 3.910 2.181 2.181 2.181 . 0 0 "[ ]" 1
295 1 10 LYS HA 1 54 ILE MG . . 5.380 3.518 3.518 3.518 . 0 0 "[ ]" 1
296 1 10 LYS HB2 1 11 CYS H . . 5.000 2.991 2.991 2.991 . 0 0 "[ ]" 1
297 1 10 LYS HB2 1 54 ILE MG . . 4.300 3.614 3.614 3.614 . 0 0 "[ ]" 1
298 1 10 LYS HB3 1 11 CYS H . . 5.000 3.359 3.359 3.359 . 0 0 "[ ]" 1
299 1 10 LYS HB3 1 54 ILE MG . . 4.300 2.235 2.235 2.235 . 0 0 "[ ]" 1
300 1 10 LYS QB 1 11 CYS H . . 4.590 2.796 2.796 2.796 . 0 0 "[ ]" 1
301 1 10 LYS QB 1 54 ILE MG . . 4.080 2.215 2.215 2.215 . 0 0 "[ ]" 1
302 1 10 LYS QB 1 55 ALA MB . . 5.670 3.194 3.194 3.194 . 0 0 "[ ]" 1
303 1 10 LYS HG2 1 55 ALA MB . . 6.530 3.480 3.480 3.480 . 0 0 "[ ]" 1
304 1 10 LYS HG3 1 55 ALA MB . . 6.530 4.774 4.774 4.774 . 0 0 "[ ]" 1
305 1 10 LYS QG 1 55 ALA MB . . 5.820 3.400 3.400 3.400 . 0 0 "[ ]" 1
306 1 10 LYS QD 1 55 ALA MB . . 6.450 2.710 2.710 2.710 . 0 0 "[ ]" 1
307 1 10 LYS QE 1 54 ILE MG . . 6.910 4.746 4.746 4.746 . 0 0 "[ ]" 1
308 1 10 LYS QE 1 55 ALA HA . . 6.380 4.308 4.308 4.308 . 0 0 "[ ]" 1
309 1 10 LYS QE 1 55 ALA MB . . 7.130 4.326 4.326 4.326 . 0 0 "[ ]" 1
310 1 11 CYS H 1 11 CYS HB2 . . 4.140 2.666 2.666 2.666 . 0 0 "[ ]" 1
311 1 11 CYS H 1 11 CYS HB3 . . 4.140 3.670 3.670 3.670 . 0 0 "[ ]" 1
312 1 11 CYS H 1 12 ILE H . . 3.270 2.337 2.337 2.337 . 0 0 "[ ]" 1
313 1 11 CYS H 1 12 ILE MG . . 5.570 3.911 3.911 3.911 . 0 0 "[ ]" 1
314 1 11 CYS H 1 12 ILE HG12 . . 5.500 5.272 5.272 5.272 . 0 0 "[ ]" 1
315 1 11 CYS H 1 12 ILE HG13 . . 5.500 3.809 3.809 3.809 . 0 0 "[ ]" 1
316 1 11 CYS H 1 12 ILE MD . . 6.530 5.131 5.131 5.131 . 0 0 "[ ]" 1
317 1 11 CYS HB2 1 12 ILE H . . 4.820 2.460 2.460 2.460 . 0 0 "[ ]" 1
318 1 11 CYS HB2 1 12 ILE HA . . 5.500 3.969 3.969 3.969 . 0 0 "[ ]" 1
319 1 11 CYS HB2 1 19 LEU MD1 . . 9.670 5.019 5.019 5.019 . 0 0 "[ ]" 1
320 1 11 CYS HB2 1 19 LEU MD2 . . 9.670 3.126 3.126 3.126 . 0 0 "[ ]" 1
321 1 11 CYS HB3 1 12 ILE H . . 4.820 3.742 3.742 3.742 . 0 0 "[ ]" 1
322 1 11 CYS HB3 1 12 ILE HA . . 5.500 4.549 4.549 4.549 . 0 0 "[ ]" 1
323 1 11 CYS HB3 1 19 LEU MD1 . . 9.670 5.606 5.606 5.606 . 0 0 "[ ]" 1
324 1 11 CYS HB3 1 19 LEU MD2 . . 9.670 3.657 3.657 3.657 . 0 0 "[ ]" 1
325 1 11 CYS QB 1 15 HIS HD2 . . 3.880 2.692 2.692 2.692 . 0 0 "[ ]" 1
326 1 11 CYS QB 1 19 LEU QD . . 8.050 2.929 2.929 2.929 . 0 0 "[ ]" 1
327 1 12 ILE H 1 12 ILE MG . . 4.080 2.219 2.219 2.219 . 0 0 "[ ]" 1
328 1 12 ILE H 1 12 ILE HG12 . . 4.200 3.575 3.575 3.575 . 0 0 "[ ]" 1
329 1 12 ILE H 1 12 ILE HG13 . . 4.200 2.375 2.375 2.375 . 0 0 "[ ]" 1
330 1 12 ILE H 1 12 ILE QG . . 3.820 2.343 2.343 2.343 . 0 0 "[ ]" 1
331 1 12 ILE H 1 12 ILE MD . . 5.070 3.804 3.804 3.804 . 0 0 "[ ]" 1
332 1 12 ILE HA 1 14 CYS H . . 5.380 3.662 3.662 3.662 . 0 0 "[ ]" 1
333 1 12 ILE HA 1 15 HIS H . . 5.160 3.061 3.061 3.061 . 0 0 "[ ]" 1
334 1 12 ILE HA 1 15 HIS HB2 . . 3.210 2.694 2.694 2.694 . 0 0 "[ ]" 1
335 1 12 ILE HA 1 15 HIS HB3 . . 3.860 3.886 3.886 3.886 0.026 1 0 "[ ]" 1
336 1 12 ILE HA 1 16 GLY H . . 3.640 2.670 2.670 2.670 . 0 0 "[ ]" 1
337 1 12 ILE HA 1 19 LEU QD . . 6.490 3.228 3.228 3.228 . 0 0 "[ ]" 1
338 1 12 ILE HB 1 16 GLY H . . 4.600 3.772 3.772 3.772 . 0 0 "[ ]" 1
339 1 12 ILE HB 1 17 GLY H . . 5.310 3.350 3.350 3.350 . 0 0 "[ ]" 1
340 1 12 ILE HB 1 17 GLY HA2 . . 3.550 2.196 2.196 2.196 . 0 0 "[ ]" 1
341 1 12 ILE HB 1 17 GLY HA3 . . 4.450 3.737 3.737 3.737 . 0 0 "[ ]" 1
342 1 12 ILE HB 1 19 LEU H . . 5.500 4.461 4.461 4.461 . 0 0 "[ ]" 1
343 1 12 ILE MG 1 16 GLY H . . 6.400 4.394 4.394 4.394 . 0 0 "[ ]" 1
344 1 12 ILE MG 1 17 GLY H . . 6.280 4.272 4.272 4.272 . 0 0 "[ ]" 1
345 1 12 ILE MG 1 17 GLY HA2 . . 4.570 2.518 2.518 2.518 . 0 0 "[ ]" 1
346 1 12 ILE MG 1 17 GLY HA3 . . 5.470 3.888 3.888 3.888 . 0 0 "[ ]" 1
347 1 12 ILE MG 1 19 LEU H . . 5.440 3.420 3.420 3.420 . 0 0 "[ ]" 1
348 1 12 ILE QG 1 13 SER HA . . 6.380 4.332 4.332 4.332 . 0 0 "[ ]" 1
349 1 12 ILE MD 1 17 GLY H . . 6.280 3.783 3.783 3.783 . 0 0 "[ ]" 1
350 1 12 ILE MD 1 17 GLY HA2 . . 4.480 2.900 2.900 2.900 . 0 0 "[ ]" 1
351 1 12 ILE MD 1 17 GLY HA3 . . 5.010 3.994 3.994 3.994 . 0 0 "[ ]" 1
352 1 13 SER HA 1 16 GLY H . . 5.500 4.865 4.865 4.865 . 0 0 "[ ]" 1
353 1 13 SER HB2 1 14 CYS H . . 5.500 2.696 2.696 2.696 . 0 0 "[ ]" 1
354 1 13 SER HB3 1 14 CYS H . . 5.500 3.902 3.902 3.902 . 0 0 "[ ]" 1
355 1 14 CYS H 1 15 HIS H . . 4.140 1.979 1.979 1.979 . 0 0 "[ ]" 1
356 1 14 CYS H 1 16 GLY H . . 5.190 3.439 3.439 3.439 . 0 0 "[ ]" 1
357 1 14 CYS HB2 1 24 ALA MB . . 5.320 2.615 2.615 2.615 . 0 0 "[ ]" 1
358 1 14 CYS HB3 1 24 ALA MB . . 5.320 2.208 2.208 2.208 . 0 0 "[ ]" 1
359 1 14 CYS QB 1 15 HIS H . . 6.190 2.553 2.553 2.553 . 0 0 "[ ]" 1
360 1 14 CYS QB 1 15 HIS HD2 . . 6.380 3.417 3.417 3.417 . 0 0 "[ ]" 1
361 1 14 CYS QB 1 16 GLY H . . 5.980 4.456 4.456 4.456 . 0 0 "[ ]" 1
362 1 14 CYS QB 1 22 ALA MB . . 7.410 4.622 4.622 4.622 . 0 0 "[ ]" 1
363 1 14 CYS QB 1 23 SER H . . 6.260 3.761 3.761 3.761 . 0 0 "[ ]" 1
364 1 14 CYS QB 1 24 ALA H . . 6.380 3.809 3.809 3.809 . 0 0 "[ ]" 1
365 1 14 CYS QB 1 24 ALA MB . . 4.700 2.097 2.097 2.097 . 0 0 "[ ]" 1
366 1 15 HIS H 1 16 GLY H . . 3.730 2.706 2.706 2.706 . 0 0 "[ ]" 1
367 1 15 HIS HA 1 15 HIS HB3 . . 2.740 2.553 2.553 2.553 . 0 0 "[ ]" 1
368 1 15 HIS HA 1 19 LEU HA . . 5.500 4.426 4.426 4.426 . 0 0 "[ ]" 1
369 1 15 HIS HA 1 21 GLY HA2 . . 3.270 2.626 2.626 2.626 . 0 0 "[ ]" 1
370 1 15 HIS HA 1 21 GLY HA3 . . 4.350 4.367 4.367 4.367 0.017 1 0 "[ ]" 1
371 1 15 HIS HA 1 22 ALA H . . 4.140 3.371 3.371 3.371 . 0 0 "[ ]" 1
372 1 15 HIS HA 1 22 ALA MB . . 6.530 3.708 3.708 3.708 . 0 0 "[ ]" 1
373 1 15 HIS HA 1 24 ALA H . . 4.940 3.449 3.449 3.449 . 0 0 "[ ]" 1
374 1 15 HIS HA 1 24 ALA MB . . 5.260 2.356 2.356 2.356 . 0 0 "[ ]" 1
375 1 15 HIS HB2 1 16 GLY H . . 4.760 3.568 3.568 3.568 . 0 0 "[ ]" 1
376 1 15 HIS HB2 1 19 LEU HA . . 3.860 3.579 3.579 3.579 . 0 0 "[ ]" 1
377 1 15 HIS HB2 1 19 LEU QD . . 5.740 3.135 3.135 3.135 . 0 0 "[ ]" 1
378 1 15 HIS HB2 1 27 ILE MG . . 6.530 4.827 4.827 4.827 . 0 0 "[ ]" 1
379 1 15 HIS HB2 1 27 ILE HG12 . . 5.500 3.583 3.583 3.583 . 0 0 "[ ]" 1
380 1 15 HIS HB2 1 27 ILE HG13 . . 5.500 4.471 4.471 4.471 . 0 0 "[ ]" 1
381 1 15 HIS HB2 1 27 ILE QG . . 4.950 3.445 3.445 3.445 . 0 0 "[ ]" 1
382 1 15 HIS HB2 1 27 ILE MD . . 5.540 2.831 2.831 2.831 . 0 0 "[ ]" 1
383 1 15 HIS HB3 1 19 LEU HA . . 3.110 2.416 2.416 2.416 . 0 0 "[ ]" 1
384 1 15 HIS HB3 1 19 LEU QB . . 6.380 3.861 3.861 3.861 . 0 0 "[ ]" 1
385 1 15 HIS HB3 1 19 LEU QD . . 5.930 3.089 3.089 3.089 . 0 0 "[ ]" 1
386 1 15 HIS HB3 1 27 ILE MG . . 6.530 4.067 4.067 4.067 . 0 0 "[ ]" 1
387 1 15 HIS HB3 1 27 ILE HG12 . . 4.450 2.394 2.394 2.394 . 0 0 "[ ]" 1
388 1 15 HIS HB3 1 27 ILE HG13 . . 4.450 3.499 3.499 3.499 . 0 0 "[ ]" 1
389 1 15 HIS HB3 1 27 ILE QG . . 3.960 2.356 2.356 2.356 . 0 0 "[ ]" 1
390 1 15 HIS HB3 1 27 ILE MD . . 5.320 2.888 2.888 2.888 . 0 0 "[ ]" 1
391 1 15 HIS HD2 1 27 ILE MD . . 6.500 2.907 2.907 2.907 . 0 0 "[ ]" 1
392 1 15 HIS HE1 1 24 ALA MB . . 6.500 2.682 2.682 2.682 . 0 0 "[ ]" 1
393 1 15 HIS HE1 1 25 PRO QD . . 6.380 2.959 2.959 2.959 . 0 0 "[ ]" 1
394 1 15 HIS HE1 1 27 ILE MG . . 6.500 2.335 2.335 2.335 . 0 0 "[ ]" 1
395 1 15 HIS HE1 1 27 ILE MD . . 6.500 3.733 3.733 3.733 . 0 0 "[ ]" 1
396 1 16 GLY H 1 17 GLY H . . 4.450 4.141 4.141 4.141 . 0 0 "[ ]" 1
397 1 16 GLY H 1 22 ALA MB . . 4.570 3.062 3.062 3.062 . 0 0 "[ ]" 1
398 1 16 GLY HA2 1 17 GLY H . . 3.520 2.277 2.277 2.277 . 0 0 "[ ]" 1
399 1 16 GLY HA2 1 22 ALA MB . . 4.880 2.790 2.790 2.790 . 0 0 "[ ]" 1
400 1 16 GLY HA3 1 17 GLY H . . 3.520 2.933 2.933 2.933 . 0 0 "[ ]" 1
401 1 16 GLY HA3 1 22 ALA MB . . 4.880 2.528 2.528 2.528 . 0 0 "[ ]" 1
402 1 16 GLY QA 1 18 ASP H . . 5.450 3.182 3.182 3.182 . 0 0 "[ ]" 1
403 1 16 GLY QA 1 19 LEU H . . 5.760 3.444 3.444 3.444 . 0 0 "[ ]" 1
404 1 16 GLY QA 1 20 THR H . . 5.880 3.913 3.913 3.913 . 0 0 "[ ]" 1
405 1 16 GLY QA 1 21 GLY H . . 5.050 3.547 3.547 3.547 . 0 0 "[ ]" 1
406 1 17 GLY H 1 18 ASP H . . 4.010 2.946 2.946 2.946 . 0 0 "[ ]" 1
407 1 17 GLY H 1 19 LEU H . . 5.100 4.427 4.427 4.427 . 0 0 "[ ]" 1
408 1 17 GLY H 1 22 ALA MB . . 6.370 4.393 4.393 4.393 . 0 0 "[ ]" 1
409 1 18 ASP H 1 19 LEU H . . 3.450 2.535 2.535 2.535 . 0 0 "[ ]" 1
410 1 18 ASP H 1 19 LEU HA . . 4.690 4.703 4.703 4.703 0.013 1 0 "[ ]" 1
411 1 18 ASP H 1 20 THR H . . 4.790 3.462 3.462 3.462 . 0 0 "[ ]" 1
412 1 18 ASP HA 1 19 LEU HG . . 5.500 3.258 3.258 3.258 . 0 0 "[ ]" 1
413 1 18 ASP HA 1 19 LEU QD . . 8.100 3.911 3.911 3.911 . 0 0 "[ ]" 1
414 1 18 ASP HA 1 20 THR H . . 5.500 4.403 4.403 4.403 . 0 0 "[ ]" 1
415 1 18 ASP HB2 1 20 THR H . . 5.500 3.140 3.140 3.140 . 0 0 "[ ]" 1
416 1 18 ASP HB2 1 20 THR MG . . 5.660 2.553 2.553 2.553 . 0 0 "[ ]" 1
417 1 18 ASP HB3 1 20 THR H . . 5.500 3.775 3.775 3.775 . 0 0 "[ ]" 1
418 1 18 ASP HB3 1 20 THR MG . . 5.660 2.285 2.285 2.285 . 0 0 "[ ]" 1
419 1 19 LEU H 1 19 LEU HG . . 4.420 3.086 3.086 3.086 . 0 0 "[ ]" 1
420 1 19 LEU H 1 19 LEU MD1 . . 5.720 4.482 4.482 4.482 . 0 0 "[ ]" 1
421 1 19 LEU H 1 19 LEU MD2 . . 5.720 2.708 2.708 2.708 . 0 0 "[ ]" 1
422 1 19 LEU H 1 19 LEU QD . . 4.890 2.687 2.687 2.687 . 0 0 "[ ]" 1
423 1 19 LEU H 1 20 THR H . . 4.040 2.515 2.515 2.515 . 0 0 "[ ]" 1
424 1 19 LEU H 1 20 THR MG . . 6.530 4.321 4.321 4.321 . 0 0 "[ ]" 1
425 1 19 LEU H 1 21 GLY H . . 4.480 3.614 3.614 3.614 . 0 0 "[ ]" 1
426 1 19 LEU HA 1 20 THR MG . . 6.470 4.876 4.876 4.876 . 0 0 "[ ]" 1
427 1 19 LEU HA 1 27 ILE H . . 4.940 3.510 3.510 3.510 . 0 0 "[ ]" 1
428 1 19 LEU HA 1 27 ILE QG . . 6.380 2.980 2.980 2.980 . 0 0 "[ ]" 1
429 1 19 LEU HA 1 27 ILE MD . . 6.530 3.798 3.798 3.798 . 0 0 "[ ]" 1
430 1 19 LEU HA 1 28 ASP QB . . 6.380 4.537 4.537 4.537 . 0 0 "[ ]" 1
431 1 19 LEU HB2 1 20 THR H . . 5.500 3.942 3.942 3.942 . 0 0 "[ ]" 1
432 1 19 LEU HB2 1 27 ILE H . . 5.500 4.214 4.214 4.214 . 0 0 "[ ]" 1
433 1 19 LEU HB2 1 27 ILE HG12 . . 5.500 4.925 4.925 4.925 . 0 0 "[ ]" 1
434 1 19 LEU HB2 1 27 ILE HG13 . . 5.500 3.848 3.848 3.848 . 0 0 "[ ]" 1
435 1 19 LEU HB2 1 27 ILE MD . . 6.530 4.943 4.943 4.943 . 0 0 "[ ]" 1
436 1 19 LEU HB3 1 20 THR H . . 5.500 4.513 4.513 4.513 . 0 0 "[ ]" 1
437 1 19 LEU HB3 1 27 ILE H . . 5.500 3.188 3.188 3.188 . 0 0 "[ ]" 1
438 1 19 LEU HB3 1 27 ILE HG12 . . 5.500 3.320 3.320 3.320 . 0 0 "[ ]" 1
439 1 19 LEU HB3 1 27 ILE HG13 . . 5.500 2.139 2.139 2.139 . 0 0 "[ ]" 1
440 1 19 LEU HB3 1 27 ILE MD . . 6.530 3.513 3.513 3.513 . 0 0 "[ ]" 1
441 1 19 LEU QB 1 20 THR H . . 5.350 3.708 3.708 3.708 . 0 0 "[ ]" 1
442 1 19 LEU QB 1 26 ALA HA . . 6.380 4.591 4.591 4.591 . 0 0 "[ ]" 1
443 1 19 LEU QB 1 27 ILE H . . 5.180 3.098 3.098 3.098 . 0 0 "[ ]" 1
444 1 19 LEU QB 1 27 ILE QG . . 4.630 2.103 2.103 2.103 . 0 0 "[ ]" 1
445 1 19 LEU QB 1 28 ASP H . . 6.040 2.635 2.635 2.635 . 0 0 "[ ]" 1
446 1 19 LEU QB 1 28 ASP HA . . 5.760 2.333 2.333 2.333 . 0 0 "[ ]" 1
447 1 19 LEU QB 1 67 LEU QD . . 8.980 3.552 3.552 3.552 . 0 0 "[ ]" 1
448 1 19 LEU MD1 1 27 ILE HG12 . . 6.850 4.793 4.793 4.793 . 0 0 "[ ]" 1
449 1 19 LEU MD1 1 27 ILE HG13 . . 6.850 3.385 3.385 3.385 . 0 0 "[ ]" 1
450 1 19 LEU MD1 1 27 ILE MD . . 7.560 3.748 3.748 3.748 . 0 0 "[ ]" 1
451 1 19 LEU MD1 1 66 TRP HZ3 . . 6.530 2.540 2.540 2.540 . 0 0 "[ ]" 1
452 1 19 LEU MD1 1 66 TRP HH2 . . 6.530 2.208 2.208 2.208 . 0 0 "[ ]" 1
453 1 19 LEU MD1 1 67 LEU MD1 . . 9.300 3.606 3.606 3.606 . 0 0 "[ ]" 1
454 1 19 LEU MD1 1 67 LEU MD2 . . 9.300 2.372 2.372 2.372 . 0 0 "[ ]" 1
455 1 19 LEU MD2 1 27 ILE HG12 . . 6.850 3.565 3.565 3.565 . 0 0 "[ ]" 1
456 1 19 LEU MD2 1 27 ILE HG13 . . 6.850 2.791 2.791 2.791 . 0 0 "[ ]" 1
457 1 19 LEU MD2 1 27 ILE MD . . 7.560 2.474 2.474 2.474 . 0 0 "[ ]" 1
458 1 19 LEU MD2 1 66 TRP HZ3 . . 6.530 3.497 3.497 3.497 . 0 0 "[ ]" 1
459 1 19 LEU MD2 1 66 TRP HH2 . . 6.530 3.612 3.612 3.612 . 0 0 "[ ]" 1
460 1 19 LEU MD2 1 67 LEU MD1 . . 9.300 3.724 3.724 3.724 . 0 0 "[ ]" 1
461 1 19 LEU MD2 1 67 LEU MD2 . . 9.300 3.308 3.308 3.308 . 0 0 "[ ]" 1
462 1 19 LEU QD 1 27 ILE QG . . 5.930 2.585 2.585 2.585 . 0 0 "[ ]" 1
463 1 19 LEU QD 1 27 ILE MD . . 6.820 2.441 2.441 2.441 . 0 0 "[ ]" 1
464 1 19 LEU QD 1 28 ASP H . . 7.880 3.938 3.938 3.938 . 0 0 "[ ]" 1
465 1 19 LEU QD 1 28 ASP HA . . 6.210 2.642 2.642 2.642 . 0 0 "[ ]" 1
466 1 19 LEU QD 1 66 TRP HZ3 . . 5.300 2.483 2.483 2.483 . 0 0 "[ ]" 1
467 1 19 LEU QD 1 66 TRP HH2 . . 5.240 2.190 2.190 2.190 . 0 0 "[ ]" 1
468 1 19 LEU QD 1 67 LEU QD . . 7.400 2.275 2.275 2.275 . 0 0 "[ ]" 1
469 1 20 THR H 1 20 THR MG . . 4.170 2.635 2.635 2.635 . 0 0 "[ ]" 1
470 1 20 THR H 1 21 GLY H . . 3.760 2.237 2.237 2.237 . 0 0 "[ ]" 1
471 1 20 THR H 1 21 GLY HA2 . . 5.500 4.565 4.565 4.565 . 0 0 "[ ]" 1
472 1 20 THR H 1 26 ALA HA . . 5.500 4.536 4.536 4.536 . 0 0 "[ ]" 1
473 1 20 THR H 1 28 ASP QB . . 6.380 4.310 4.310 4.310 . 0 0 "[ ]" 1
474 1 20 THR HA 1 20 THR MG . . 3.430 2.311 2.311 2.311 . 0 0 "[ ]" 1
475 1 20 THR HA 1 26 ALA HA . . 5.500 3.689 3.689 3.689 . 0 0 "[ ]" 1
476 1 20 THR HA 1 26 ALA MB . . 3.770 2.355 2.355 2.355 . 0 0 "[ ]" 1
477 1 20 THR HA 1 27 ILE H . . 5.500 4.500 4.500 4.500 . 0 0 "[ ]" 1
478 1 20 THR HA 1 28 ASP H . . 4.290 4.076 4.076 4.076 . 0 0 "[ ]" 1
479 1 20 THR HA 1 28 ASP HB2 . . 5.500 3.478 3.478 3.478 . 0 0 "[ ]" 1
480 1 20 THR HA 1 28 ASP HB3 . . 5.500 3.906 3.906 3.906 . 0 0 "[ ]" 1
481 1 20 THR HA 1 28 ASP QB . . 5.300 3.252 3.252 3.252 . 0 0 "[ ]" 1
482 1 20 THR MG 1 21 GLY H . . 6.530 4.185 4.185 4.185 . 0 0 "[ ]" 1
483 1 20 THR MG 1 28 ASP H . . 6.530 5.015 5.015 5.015 . 0 0 "[ ]" 1
484 1 20 THR MG 1 28 ASP HB2 . . 5.440 3.555 3.555 3.555 . 0 0 "[ ]" 1
485 1 20 THR MG 1 28 ASP HB3 . . 5.440 4.407 4.407 4.407 . 0 0 "[ ]" 1
486 1 20 THR MG 1 28 ASP QB . . 5.010 3.414 3.414 3.414 . 0 0 "[ ]" 1
487 1 21 GLY H 1 26 ALA HA . . 4.200 3.206 3.206 3.206 . 0 0 "[ ]" 1
488 1 21 GLY H 1 26 ALA MB . . 5.910 3.821 3.821 3.821 . 0 0 "[ ]" 1
489 1 21 GLY H 1 27 ILE H . . 5.500 4.257 4.257 4.257 . 0 0 "[ ]" 1
490 1 21 GLY H 1 28 ASP H . . 5.130 5.156 5.156 5.156 0.026 1 0 "[ ]" 1
491 1 21 GLY HA2 1 22 ALA H . . 3.050 2.315 2.315 2.315 . 0 0 "[ ]" 1
492 1 21 GLY HA2 1 22 ALA MB . . 6.530 3.887 3.887 3.887 . 0 0 "[ ]" 1
493 1 21 GLY HA2 1 24 ALA H . . 5.500 3.708 3.708 3.708 . 0 0 "[ ]" 1
494 1 21 GLY HA2 1 26 ALA H . . 4.720 4.369 4.369 4.369 . 0 0 "[ ]" 1
495 1 21 GLY HA2 1 26 ALA MB . . 6.090 4.024 4.024 4.024 . 0 0 "[ ]" 1
496 1 21 GLY HA3 1 22 ALA H . . 3.360 2.720 2.720 2.720 . 0 0 "[ ]" 1
497 1 21 GLY HA3 1 22 ALA MB . . 6.530 4.502 4.502 4.502 . 0 0 "[ ]" 1
498 1 21 GLY HA3 1 24 ALA H . . 5.500 4.448 4.448 4.448 . 0 0 "[ ]" 1
499 1 21 GLY HA3 1 26 ALA H . . 4.450 3.517 3.517 3.517 . 0 0 "[ ]" 1
500 1 21 GLY HA3 1 26 ALA MB . . 5.380 3.188 3.188 3.188 . 0 0 "[ ]" 1
501 1 22 ALA H 1 23 SER H . . 4.880 3.021 3.021 3.021 . 0 0 "[ ]" 1
502 1 22 ALA H 1 23 SER HA . . 5.340 4.526 4.526 4.526 . 0 0 "[ ]" 1
503 1 22 ALA H 1 24 ALA H . . 3.730 2.009 2.009 2.009 . 0 0 "[ ]" 1
504 1 22 ALA H 1 25 PRO HA . . 5.130 4.297 4.297 4.297 . 0 0 "[ ]" 1
505 1 22 ALA H 1 26 ALA MB . . 6.530 5.494 5.494 5.494 . 0 0 "[ ]" 1
506 1 22 ALA HA 1 24 ALA H . . 5.500 4.122 4.122 4.122 . 0 0 "[ ]" 1
507 1 22 ALA MB 1 23 SER H . . 3.740 2.014 2.014 2.014 . 0 0 "[ ]" 1
508 1 22 ALA MB 1 23 SER HA . . 6.530 4.156 4.156 4.156 . 0 0 "[ ]" 1
509 1 22 ALA MB 1 24 ALA H . . 5.350 3.436 3.436 3.436 . 0 0 "[ ]" 1
510 1 23 SER H 1 24 ALA H . . 3.830 2.273 2.273 2.273 . 0 0 "[ ]" 1
511 1 23 SER HB2 1 24 ALA H . . 5.130 3.662 3.662 3.662 . 0 0 "[ ]" 1
512 1 23 SER HB3 1 24 ALA H . . 5.130 4.354 4.354 4.354 . 0 0 "[ ]" 1
513 1 24 ALA HA 1 25 PRO HG2 . . 5.500 4.690 4.690 4.690 . 0 0 "[ ]" 1
514 1 24 ALA HA 1 25 PRO HG3 . . 5.500 4.742 4.742 4.742 . 0 0 "[ ]" 1
515 1 24 ALA HA 1 25 PRO HD2 . . 3.920 2.542 2.542 2.542 . 0 0 "[ ]" 1
516 1 24 ALA HA 1 25 PRO HD3 . . 3.920 2.536 2.536 2.536 . 0 0 "[ ]" 1
517 1 24 ALA HA 1 25 PRO QD . . 3.240 2.262 2.262 2.262 . 0 0 "[ ]" 1
518 1 25 PRO HA 1 26 ALA H . . 2.990 2.462 2.462 2.462 . 0 0 "[ ]" 1
519 1 25 PRO HA 1 26 ALA MB . . 4.950 4.007 4.007 4.007 . 0 0 "[ ]" 1
520 1 25 PRO HB2 1 26 ALA H . . 3.920 2.657 2.657 2.657 . 0 0 "[ ]" 1
521 1 25 PRO HB3 1 26 ALA H . . 3.920 3.558 3.558 3.558 . 0 0 "[ ]" 1
522 1 25 PRO QB 1 26 ALA H . . 3.750 2.587 2.587 2.587 . 0 0 "[ ]" 1
523 1 25 PRO HG2 1 26 ALA H . . 5.500 4.399 4.399 4.399 . 0 0 "[ ]" 1
524 1 25 PRO HG3 1 26 ALA H . . 5.500 5.154 5.154 5.154 . 0 0 "[ ]" 1
525 1 26 ALA H 1 26 ALA MB . . 3.460 2.176 2.176 2.176 . 0 0 "[ ]" 1
526 1 26 ALA HA 1 27 ILE H . . 2.960 2.180 2.180 2.180 . 0 0 "[ ]" 1
527 1 26 ALA HA 1 27 ILE HG12 . . 5.500 3.846 3.846 3.846 . 0 0 "[ ]" 1
528 1 26 ALA HA 1 27 ILE HG13 . . 5.500 4.764 4.764 4.764 . 0 0 "[ ]" 1
529 1 26 ALA MB 1 27 ILE H . . 4.420 3.114 3.114 3.114 . 0 0 "[ ]" 1
530 1 26 ALA MB 1 27 ILE HA . . 5.910 4.249 4.249 4.249 . 0 0 "[ ]" 1
531 1 26 ALA MB 1 28 ASP H . . 3.740 3.083 3.083 3.083 . 0 0 "[ ]" 1
532 1 26 ALA MB 1 28 ASP QB . . 7.410 3.105 3.105 3.105 . 0 0 "[ ]" 1
533 1 26 ALA MB 1 29 LYS H . . 6.280 4.202 4.202 4.202 . 0 0 "[ ]" 1
534 1 27 ILE H 1 28 ASP H . . 3.080 2.003 2.003 2.003 . 0 0 "[ ]" 1
535 1 27 ILE H 1 28 ASP HA . . 5.000 4.391 4.391 4.391 . 0 0 "[ ]" 1
536 1 27 ILE H 1 28 ASP HB2 . . 5.500 4.236 4.236 4.236 . 0 0 "[ ]" 1
537 1 27 ILE H 1 28 ASP HB3 . . 5.500 4.329 4.329 4.329 . 0 0 "[ ]" 1
538 1 27 ILE H 1 28 ASP QB . . 5.070 3.813 3.813 3.813 . 0 0 "[ ]" 1
539 1 27 ILE H 1 29 LYS H . . 4.970 4.559 4.559 4.559 . 0 0 "[ ]" 1
540 1 27 ILE HA 1 29 LYS H . . 4.070 3.454 3.454 3.454 . 0 0 "[ ]" 1
541 1 27 ILE HA 1 30 ALA H . . 4.350 3.240 3.240 3.240 . 0 0 "[ ]" 1
542 1 27 ILE HA 1 30 ALA HA . . 5.310 3.823 3.823 3.823 . 0 0 "[ ]" 1
543 1 27 ILE HA 1 30 ALA MB . . 4.080 2.550 2.550 2.550 . 0 0 "[ ]" 1
544 1 27 ILE HA 1 67 LEU QD . . 7.910 4.266 4.266 4.266 . 0 0 "[ ]" 1
545 1 27 ILE HB 1 30 ALA MB . . 3.800 2.413 2.413 2.413 . 0 0 "[ ]" 1
546 1 27 ILE MG 1 30 ALA MB . . 7.560 2.790 2.790 2.790 . 0 0 "[ ]" 1
547 1 27 ILE HG12 1 67 LEU MD1 . . 8.280 4.475 4.475 4.475 . 0 0 "[ ]" 1
548 1 27 ILE HG12 1 67 LEU MD2 . . 8.280 5.213 5.213 5.213 . 0 0 "[ ]" 1
549 1 27 ILE HG13 1 67 LEU MD1 . . 8.280 3.419 3.419 3.419 . 0 0 "[ ]" 1
550 1 27 ILE HG13 1 67 LEU MD2 . . 8.280 3.795 3.795 3.795 . 0 0 "[ ]" 1
551 1 27 ILE QG 1 28 ASP H . . 6.380 3.085 3.085 3.085 . 0 0 "[ ]" 1
552 1 27 ILE QG 1 30 ALA MB . . 7.410 4.101 4.101 4.101 . 0 0 "[ ]" 1
553 1 27 ILE QG 1 67 LEU QD . . 7.050 3.096 3.096 3.096 . 0 0 "[ ]" 1
554 1 27 ILE MD 1 67 LEU MD1 . . 7.560 2.148 2.148 2.148 . 0 0 "[ ]" 1
555 1 27 ILE MD 1 67 LEU MD2 . . 7.560 3.282 3.282 3.282 . 0 0 "[ ]" 1
556 1 28 ASP H 1 28 ASP HB2 . . 4.110 2.501 2.501 2.501 . 0 0 "[ ]" 1
557 1 28 ASP H 1 28 ASP HB3 . . 4.110 2.494 2.494 2.494 . 0 0 "[ ]" 1
558 1 28 ASP H 1 28 ASP QB . . 3.740 2.225 2.225 2.225 . 0 0 "[ ]" 1
559 1 28 ASP H 1 29 LYS H . . 3.520 3.103 3.103 3.103 . 0 0 "[ ]" 1
560 1 28 ASP H 1 30 ALA H . . 5.160 4.398 4.398 4.398 . 0 0 "[ ]" 1
561 1 28 ASP HA 1 30 ALA H . . 5.000 4.242 4.242 4.242 . 0 0 "[ ]" 1
562 1 28 ASP HA 1 70 LYS QE . . 6.380 4.279 4.279 4.279 . 0 0 "[ ]" 1
563 1 28 ASP HB2 1 29 LYS H . . 5.220 4.073 4.073 4.073 . 0 0 "[ ]" 1
564 1 28 ASP HB3 1 29 LYS H . . 5.220 2.753 2.753 2.753 . 0 0 "[ ]" 1
565 1 29 LYS H 1 29 LYS HB2 . . 4.110 3.794 3.794 3.794 . 0 0 "[ ]" 1
566 1 29 LYS H 1 29 LYS HB3 . . 4.110 3.193 3.193 3.193 . 0 0 "[ ]" 1
567 1 29 LYS H 1 29 LYS QB . . 3.750 3.035 3.035 3.035 . 0 0 "[ ]" 1
568 1 29 LYS H 1 29 LYS HG2 . . 5.250 2.145 2.145 2.145 . 0 0 "[ ]" 1
569 1 29 LYS H 1 29 LYS HG3 . . 5.250 3.119 3.119 3.119 . 0 0 "[ ]" 1
570 1 29 LYS H 1 29 LYS QG . . 4.930 2.110 2.110 2.110 . 0 0 "[ ]" 1
571 1 29 LYS H 1 29 LYS HD2 . . 5.500 4.861 4.861 4.861 . 0 0 "[ ]" 1
572 1 29 LYS H 1 29 LYS HD3 . . 5.500 4.262 4.262 4.262 . 0 0 "[ ]" 1
573 1 29 LYS H 1 29 LYS QE . . 6.380 4.269 4.269 4.269 . 0 0 "[ ]" 1
574 1 29 LYS H 1 30 ALA H . . 3.360 2.521 2.521 2.521 . 0 0 "[ ]" 1
575 1 29 LYS H 1 30 ALA HA . . 5.000 4.364 4.364 4.364 . 0 0 "[ ]" 1
576 1 29 LYS H 1 30 ALA MB . . 5.630 4.069 4.069 4.069 . 0 0 "[ ]" 1
577 1 29 LYS HA 1 29 LYS HD2 . . 5.500 4.693 4.693 4.693 . 0 0 "[ ]" 1
578 1 29 LYS HA 1 29 LYS HD3 . . 5.500 4.722 4.722 4.722 . 0 0 "[ ]" 1
579 1 29 LYS HA 1 31 GLY H . . 4.790 3.257 3.257 3.257 . 0 0 "[ ]" 1
580 1 29 LYS HA 1 32 ALA H . . 5.500 3.295 3.295 3.295 . 0 0 "[ ]" 1
581 1 29 LYS HA 1 70 LYS QB . . 5.510 3.599 3.599 3.599 . 0 0 "[ ]" 1
582 1 29 LYS HA 1 71 LYS H . . 5.500 3.994 3.994 3.994 . 0 0 "[ ]" 1
583 1 29 LYS HB2 1 30 ALA H . . 5.040 4.555 4.555 4.555 . 0 0 "[ ]" 1
584 1 29 LYS HB3 1 30 ALA H . . 5.040 4.622 4.622 4.622 . 0 0 "[ ]" 1
585 1 29 LYS QB 1 30 ALA H . . 4.720 4.087 4.087 4.087 . 0 0 "[ ]" 1
586 1 29 LYS QD 1 30 ALA H . . 6.380 5.682 5.682 5.682 . 0 0 "[ ]" 1
587 1 29 LYS QD 1 71 LYS HA . . 6.380 4.143 4.143 4.143 . 0 0 "[ ]" 1
588 1 30 ALA H 1 31 GLY H . . 4.140 2.729 2.729 2.729 . 0 0 "[ ]" 1
589 1 30 ALA H 1 32 ALA H . . 5.440 4.192 4.192 4.192 . 0 0 "[ ]" 1
590 1 30 ALA H 1 67 LEU MD1 . . 6.530 3.927 3.927 3.927 . 0 0 "[ ]" 1
591 1 30 ALA H 1 67 LEU MD2 . . 6.530 4.146 4.146 4.146 . 0 0 "[ ]" 1
592 1 30 ALA H 1 70 LYS QB . . 6.380 4.297 4.297 4.297 . 0 0 "[ ]" 1
593 1 30 ALA HA 1 32 ALA H . . 4.660 3.962 3.962 3.962 . 0 0 "[ ]" 1
594 1 30 ALA HA 1 33 ASN H . . 4.510 3.344 3.344 3.344 . 0 0 "[ ]" 1
595 1 30 ALA HA 1 33 ASN QB . . 5.330 2.713 2.713 2.713 . 0 0 "[ ]" 1
596 1 30 ALA HA 1 33 ASN HD21 . . 5.500 2.838 2.838 2.838 . 0 0 "[ ]" 1
597 1 30 ALA HA 1 33 ASN HD22 . . 5.500 4.208 4.208 4.208 . 0 0 "[ ]" 1
598 1 30 ALA HA 1 34 TYR QD . . 7.640 3.407 3.407 3.407 . 0 0 "[ ]" 1
599 1 30 ALA HA 1 34 TYR QE . . 7.630 4.187 4.187 4.187 . 0 0 "[ ]" 1
600 1 30 ALA HA 1 39 ILE MD . . 6.530 3.799 3.799 3.799 . 0 0 "[ ]" 1
601 1 30 ALA MB 1 31 GLY HA3 . . 6.530 4.314 4.314 4.314 . 0 0 "[ ]" 1
602 1 30 ALA MB 1 34 TYR QB . . 7.410 3.586 3.586 3.586 . 0 0 "[ ]" 1
603 1 30 ALA MB 1 34 TYR QD . . 7.550 2.807 2.807 2.807 . 0 0 "[ ]" 1
604 1 30 ALA MB 1 34 TYR QE . . 8.660 4.095 4.095 4.095 . 0 0 "[ ]" 1
605 1 30 ALA MB 1 39 ILE MG . . 7.560 3.075 3.075 3.075 . 0 0 "[ ]" 1
606 1 30 ALA MB 1 39 ILE HG12 . . 6.530 2.749 2.749 2.749 . 0 0 "[ ]" 1
607 1 30 ALA MB 1 39 ILE HG13 . . 6.530 3.908 3.908 3.908 . 0 0 "[ ]" 1
608 1 30 ALA MB 1 39 ILE QG . . 5.850 2.697 2.697 2.697 . 0 0 "[ ]" 1
609 1 30 ALA MB 1 39 ILE MD . . 6.010 2.032 2.032 2.032 . 0 0 "[ ]" 1
610 1 30 ALA MB 1 67 LEU MD1 . . 7.060 2.539 2.539 2.539 . 0 0 "[ ]" 1
611 1 30 ALA MB 1 67 LEU MD2 . . 7.060 3.613 3.613 3.613 . 0 0 "[ ]" 1
612 1 30 ALA MB 1 67 LEU QD . . 6.540 2.492 2.492 2.492 . 0 0 "[ ]" 1
613 1 31 GLY H 1 32 ALA H . . 3.890 2.915 2.915 2.915 . 0 0 "[ ]" 1
614 1 31 GLY H 1 32 ALA MB . . 6.120 4.622 4.622 4.622 . 0 0 "[ ]" 1
615 1 31 GLY H 1 33 ASN H . . 5.500 4.209 4.209 4.209 . 0 0 "[ ]" 1
616 1 31 GLY H 1 39 ILE MD . . 6.430 3.060 3.060 3.060 . 0 0 "[ ]" 1
617 1 31 GLY H 1 67 LEU MD1 . . 6.530 4.389 4.389 4.389 . 0 0 "[ ]" 1
618 1 31 GLY H 1 67 LEU MD2 . . 6.530 4.439 4.439 4.439 . 0 0 "[ ]" 1
619 1 31 GLY H 1 68 ALA HA . . 5.500 3.936 3.936 3.936 . 0 0 "[ ]" 1
620 1 31 GLY H 1 70 LYS H . . 4.820 4.551 4.551 4.551 . 0 0 "[ ]" 1
621 1 31 GLY H 1 70 LYS HB2 . . 5.440 4.035 4.035 4.035 . 0 0 "[ ]" 1
622 1 31 GLY H 1 70 LYS HB3 . . 5.440 5.057 5.057 5.057 . 0 0 "[ ]" 1
623 1 31 GLY H 1 70 LYS QB . . 5.300 3.884 3.884 3.884 . 0 0 "[ ]" 1
624 1 31 GLY H 1 71 LYS HA . . 4.880 4.512 4.512 4.512 . 0 0 "[ ]" 1
625 1 31 GLY HA2 1 33 ASN H . . 5.500 4.055 4.055 4.055 . 0 0 "[ ]" 1
626 1 31 GLY HA2 1 34 TYR H . . 5.100 3.572 3.572 3.572 . 0 0 "[ ]" 1
627 1 31 GLY HA2 1 39 ILE MD . . 4.850 2.344 2.344 2.344 . 0 0 "[ ]" 1
628 1 31 GLY HA2 1 68 ALA HA . . 4.850 2.251 2.251 2.251 . 0 0 "[ ]" 1
629 1 31 GLY HA3 1 33 ASN H . . 5.190 4.541 4.541 4.541 . 0 0 "[ ]" 1
630 1 31 GLY HA3 1 69 GLU HA . . 5.500 5.085 5.085 5.085 . 0 0 "[ ]" 1
631 1 31 GLY HA3 1 70 LYS H . . 4.600 4.033 4.033 4.033 . 0 0 "[ ]" 1
632 1 31 GLY HA3 1 71 LYS HG2 . . 5.500 3.218 3.218 3.218 . 0 0 "[ ]" 1
633 1 31 GLY HA3 1 71 LYS HG3 . . 5.500 3.676 3.676 3.676 . 0 0 "[ ]" 1
634 1 31 GLY HA3 1 71 LYS QE . . 6.380 3.483 3.483 3.483 . 0 0 "[ ]" 1
635 1 32 ALA H 1 32 ALA MB . . 3.610 2.281 2.281 2.281 . 0 0 "[ ]" 1
636 1 32 ALA H 1 33 ASN H . . 3.670 2.355 2.355 2.355 . 0 0 "[ ]" 1
637 1 32 ALA H 1 71 LYS HA . . 4.820 3.465 3.465 3.465 . 0 0 "[ ]" 1
638 1 32 ALA H 1 71 LYS QB . . 6.380 4.337 4.337 4.337 . 0 0 "[ ]" 1
639 1 32 ALA H 1 71 LYS QG . . 6.380 2.935 2.935 2.935 . 0 0 "[ ]" 1
640 1 32 ALA HA 1 71 LYS QB . . 6.380 4.149 4.149 4.149 . 0 0 "[ ]" 1
641 1 32 ALA HA 1 71 LYS QG . . 6.010 3.065 3.065 3.065 . 0 0 "[ ]" 1
642 1 32 ALA HA 1 71 LYS QE . . 6.380 3.581 3.581 3.581 . 0 0 "[ ]" 1
643 1 32 ALA MB 1 33 ASN HA . . 6.250 3.935 3.935 3.935 . 0 0 "[ ]" 1
644 1 32 ALA MB 1 33 ASN QB . . 7.410 4.261 4.261 4.261 . 0 0 "[ ]" 1
645 1 32 ALA MB 1 33 ASN HD21 . . 6.530 2.818 2.818 2.818 . 0 0 "[ ]" 1
646 1 32 ALA MB 1 33 ASN HD22 . . 6.530 3.420 3.420 3.420 . 0 0 "[ ]" 1
647 1 33 ASN H 1 33 ASN HB2 . . 3.920 2.388 2.388 2.388 . 0 0 "[ ]" 1
648 1 33 ASN H 1 33 ASN HB3 . . 3.920 3.603 3.603 3.603 . 0 0 "[ ]" 1
649 1 33 ASN H 1 33 ASN QB . . 3.740 2.356 2.356 2.356 . 0 0 "[ ]" 1
650 1 33 ASN H 1 34 TYR H . . 3.080 2.261 2.261 2.261 . 0 0 "[ ]" 1
651 1 33 ASN H 1 34 TYR QB . . 6.260 4.569 4.569 4.569 . 0 0 "[ ]" 1
652 1 33 ASN H 1 34 TYR QD . . 7.640 4.629 4.629 4.629 . 0 0 "[ ]" 1
653 1 33 ASN H 1 34 TYR QE . . 7.630 5.633 5.633 5.633 . 0 0 "[ ]" 1
654 1 33 ASN HA 1 34 TYR QD . . 7.640 4.714 4.714 4.714 . 0 0 "[ ]" 1
655 1 33 ASN HB2 1 34 TYR H . . 4.540 2.659 2.659 2.659 . 0 0 "[ ]" 1
656 1 33 ASN HB2 1 34 TYR QD . . 7.640 3.119 3.119 3.119 . 0 0 "[ ]" 1
657 1 33 ASN HB2 1 34 TYR QE . . 7.630 3.590 3.590 3.590 . 0 0 "[ ]" 1
658 1 33 ASN HB3 1 34 TYR H . . 4.540 3.574 3.574 3.574 . 0 0 "[ ]" 1
659 1 33 ASN HB3 1 34 TYR QD . . 7.640 3.471 3.471 3.471 . 0 0 "[ ]" 1
660 1 33 ASN HB3 1 34 TYR QE . . 7.630 3.319 3.319 3.319 . 0 0 "[ ]" 1
661 1 33 ASN QB 1 34 TYR H . . 4.340 2.591 2.591 2.591 . 0 0 "[ ]" 1
662 1 33 ASN QB 1 34 TYR QD . . 7.510 2.907 2.907 2.907 . 0 0 "[ ]" 1
663 1 34 TYR H 1 34 TYR HB2 . . 4.070 2.726 2.726 2.726 . 0 0 "[ ]" 1
664 1 34 TYR H 1 34 TYR HB3 . . 4.070 3.787 3.787 3.787 . 0 0 "[ ]" 1
665 1 34 TYR H 1 34 TYR QB . . 3.790 2.667 2.667 2.667 . 0 0 "[ ]" 1
666 1 34 TYR H 1 39 ILE MD . . 5.880 3.388 3.388 3.388 . 0 0 "[ ]" 1
667 1 34 TYR HA 1 35 SER H . . 3.170 2.319 2.319 2.319 . 0 0 "[ ]" 1
668 1 34 TYR HA 1 38 GLU HB2 . . 4.570 3.555 3.555 3.555 . 0 0 "[ ]" 1
669 1 34 TYR HA 1 38 GLU HB3 . . 4.760 4.379 4.379 4.379 . 0 0 "[ ]" 1
670 1 34 TYR HA 1 38 GLU HG2 . . 5.500 5.503 5.503 5.503 0.003 1 0 "[ ]" 1
671 1 34 TYR HA 1 38 GLU HG3 . . 5.500 4.409 4.409 4.409 . 0 0 "[ ]" 1
672 1 34 TYR HB2 1 35 SER H . . 4.380 3.850 3.850 3.850 . 0 0 "[ ]" 1
673 1 34 TYR HB2 1 38 GLU HG2 . . 7.250 6.232 6.232 6.232 . 0 0 "[ ]" 1
674 1 34 TYR HB2 1 38 GLU HG3 . . 7.250 5.436 5.436 5.436 . 0 0 "[ ]" 1
675 1 34 TYR HB2 1 39 ILE H . . 5.500 3.911 3.911 3.911 . 0 0 "[ ]" 1
676 1 34 TYR HB2 1 39 ILE HB . . 5.500 4.760 4.760 4.760 . 0 0 "[ ]" 1
677 1 34 TYR HB2 1 39 ILE HG12 . . 5.000 2.484 2.484 2.484 . 0 0 "[ ]" 1
678 1 34 TYR HB2 1 39 ILE HG13 . . 5.000 2.360 2.360 2.360 . 0 0 "[ ]" 1
679 1 34 TYR HB2 1 39 ILE MD . . 5.630 2.832 2.832 2.832 . 0 0 "[ ]" 1
680 1 34 TYR HB3 1 35 SER H . . 4.380 3.082 3.082 3.082 . 0 0 "[ ]" 1
681 1 34 TYR HB3 1 38 GLU HG2 . . 7.250 4.653 4.653 4.653 . 0 0 "[ ]" 1
682 1 34 TYR HB3 1 38 GLU HG3 . . 7.250 4.047 4.047 4.047 . 0 0 "[ ]" 1
683 1 34 TYR HB3 1 39 ILE H . . 5.500 3.763 3.763 3.763 . 0 0 "[ ]" 1
684 1 34 TYR HB3 1 39 ILE HB . . 5.500 5.445 5.445 5.445 . 0 0 "[ ]" 1
685 1 34 TYR HB3 1 39 ILE HG12 . . 5.000 3.682 3.682 3.682 . 0 0 "[ ]" 1
686 1 34 TYR HB3 1 39 ILE HG13 . . 5.000 3.190 3.190 3.190 . 0 0 "[ ]" 1
687 1 34 TYR HB3 1 39 ILE MD . . 5.630 4.200 4.200 4.200 . 0 0 "[ ]" 1
688 1 34 TYR QB 1 35 SER H . . 4.050 2.964 2.964 2.964 . 0 0 "[ ]" 1
689 1 34 TYR QB 1 38 GLU HB2 . . 4.520 2.082 2.082 2.082 . 0 0 "[ ]" 1
690 1 34 TYR QB 1 38 GLU HB3 . . 5.390 2.576 2.576 2.576 . 0 0 "[ ]" 1
691 1 34 TYR QB 1 38 GLU QG . . 6.190 3.712 3.712 3.712 . 0 0 "[ ]" 1
692 1 34 TYR QB 1 39 ILE H . . 5.290 3.414 3.414 3.414 . 0 0 "[ ]" 1
693 1 34 TYR QB 1 39 ILE HB . . 5.180 4.476 4.476 4.476 . 0 0 "[ ]" 1
694 1 34 TYR QB 1 39 ILE QG . . 4.080 2.108 2.108 2.108 . 0 0 "[ ]" 1
695 1 34 TYR QB 1 39 ILE MD . . 4.980 2.790 2.790 2.790 . 0 0 "[ ]" 1
696 1 34 TYR QD 1 35 SER H . . 7.640 4.357 4.357 4.357 . 0 0 "[ ]" 1
697 1 34 TYR QD 1 38 GLU HA . . 7.640 6.135 6.135 6.135 . 0 0 "[ ]" 1
698 1 34 TYR QD 1 38 GLU HB2 . . 7.640 4.169 4.169 4.169 . 0 0 "[ ]" 1
699 1 34 TYR QD 1 38 GLU HB3 . . 6.550 4.014 4.014 4.014 . 0 0 "[ ]" 1
700 1 34 TYR QD 1 38 GLU HG2 . . 7.640 5.626 5.626 5.626 . 0 0 "[ ]" 1
701 1 34 TYR QD 1 38 GLU HG3 . . 7.640 5.296 5.296 5.296 . 0 0 "[ ]" 1
702 1 34 TYR QD 1 39 ILE H . . 7.640 5.286 5.286 5.286 . 0 0 "[ ]" 1
703 1 34 TYR QD 1 39 ILE HG12 . . 7.640 2.964 2.964 2.964 . 0 0 "[ ]" 1
704 1 34 TYR QD 1 39 ILE HG13 . . 7.640 3.952 3.952 3.952 . 0 0 "[ ]" 1
705 1 34 TYR QD 1 39 ILE MD . . 8.390 3.601 3.601 3.601 . 0 0 "[ ]" 1
706 1 34 TYR QD 1 42 ILE MD . . 8.330 3.394 3.394 3.394 . 0 0 "[ ]" 1
707 1 34 TYR QE 1 35 SER H . . 7.630 6.558 6.558 6.558 . 0 0 "[ ]" 1
708 1 34 TYR QE 1 38 GLU HB3 . . 7.630 5.553 5.553 5.553 . 0 0 "[ ]" 1
709 1 34 TYR QE 1 42 ILE MD . . 7.420 3.608 3.608 3.608 . 0 0 "[ ]" 1
710 1 34 TYR HE1 1 42 ILE MD . . 6.530 4.877 4.877 4.877 . 0 0 "[ ]" 1
711 1 35 SER H 1 35 SER QB . . 3.920 2.509 2.509 2.509 . 0 0 "[ ]" 1
712 1 35 SER H 1 38 GLU H . . 4.350 3.612 3.612 3.612 . 0 0 "[ ]" 1
713 1 35 SER H 1 38 GLU HA . . 5.380 5.404 5.404 5.404 0.024 1 0 "[ ]" 1
714 1 35 SER H 1 38 GLU HB2 . . 3.550 2.675 2.675 2.675 . 0 0 "[ ]" 1
715 1 35 SER H 1 38 GLU HB3 . . 4.110 4.123 4.123 4.123 0.013 1 0 "[ ]" 1
716 1 35 SER H 1 38 GLU HG2 . . 5.500 4.392 4.392 4.392 . 0 0 "[ ]" 1
717 1 35 SER H 1 38 GLU HG3 . . 5.500 2.809 2.809 2.809 . 0 0 "[ ]" 1
718 1 35 SER H 1 39 ILE H . . 5.040 4.359 4.359 4.359 . 0 0 "[ ]" 1
719 1 35 SER H 1 39 ILE QG . . 6.380 4.120 4.120 4.120 . 0 0 "[ ]" 1
720 1 35 SER HA 1 36 GLU H . . 3.270 2.456 2.456 2.456 . 0 0 "[ ]" 1
721 1 35 SER HA 1 36 GLU HA . . 5.470 4.310 4.310 4.310 . 0 0 "[ ]" 1
722 1 35 SER HA 1 37 GLU H . . 5.190 4.629 4.629 4.629 . 0 0 "[ ]" 1
723 1 35 SER HA 1 39 ILE MD . . 6.530 4.063 4.063 4.063 . 0 0 "[ ]" 1
724 1 35 SER HB2 1 36 GLU H . . 4.040 3.510 3.510 3.510 . 0 0 "[ ]" 1
725 1 35 SER HB2 1 37 GLU H . . 5.500 3.319 3.319 3.319 . 0 0 "[ ]" 1
726 1 35 SER HB2 1 38 GLU H . . 5.500 3.095 3.095 3.095 . 0 0 "[ ]" 1
727 1 35 SER HB3 1 36 GLU H . . 4.040 2.464 2.464 2.464 . 0 0 "[ ]" 1
728 1 35 SER HB3 1 37 GLU H . . 5.500 3.396 3.396 3.396 . 0 0 "[ ]" 1
729 1 35 SER HB3 1 38 GLU H . . 5.500 4.324 4.324 4.324 . 0 0 "[ ]" 1
730 1 35 SER QB 1 36 GLU H . . 3.770 2.418 2.418 2.418 . 0 0 "[ ]" 1
731 1 35 SER QB 1 37 GLU H . . 4.850 2.989 2.989 2.989 . 0 0 "[ ]" 1
732 1 35 SER QB 1 38 GLU H . . 4.800 3.030 3.030 3.030 . 0 0 "[ ]" 1
733 1 36 GLU H 1 36 GLU QB . . 3.730 2.538 2.538 2.538 . 0 0 "[ ]" 1
734 1 36 GLU H 1 36 GLU QG . . 4.550 2.858 2.858 2.858 . 0 0 "[ ]" 1
735 1 36 GLU H 1 37 GLU H . . 3.950 2.994 2.994 2.994 . 0 0 "[ ]" 1
736 1 36 GLU H 1 37 GLU QB . . 6.380 4.764 4.764 4.764 . 0 0 "[ ]" 1
737 1 36 GLU H 1 38 GLU H . . 5.410 4.386 4.386 4.386 . 0 0 "[ ]" 1
738 1 36 GLU H 1 39 ILE H . . 5.500 4.758 4.758 4.758 . 0 0 "[ ]" 1
739 1 36 GLU H 1 39 ILE MD . . 6.530 4.354 4.354 4.354 . 0 0 "[ ]" 1
740 1 36 GLU H 1 68 ALA MB . . 4.760 2.608 2.608 2.608 . 0 0 "[ ]" 1
741 1 36 GLU HA 1 36 GLU HG2 . . 4.140 3.747 3.747 3.747 . 0 0 "[ ]" 1
742 1 36 GLU HA 1 36 GLU HG3 . . 4.140 4.174 4.174 4.174 0.034 1 0 "[ ]" 1
743 1 36 GLU HA 1 36 GLU QG . . 3.860 3.493 3.493 3.493 . 0 0 "[ ]" 1
744 1 36 GLU HA 1 39 ILE H . . 4.380 3.463 3.463 3.463 . 0 0 "[ ]" 1
745 1 36 GLU HA 1 39 ILE HB . . 3.890 2.538 2.538 2.538 . 0 0 "[ ]" 1
746 1 36 GLU HA 1 39 ILE MG . . 6.120 3.949 3.949 3.949 . 0 0 "[ ]" 1
747 1 36 GLU HA 1 39 ILE QG . . 6.380 3.636 3.636 3.636 . 0 0 "[ ]" 1
748 1 36 GLU HA 1 39 ILE MD . . 4.920 3.121 3.121 3.121 . 0 0 "[ ]" 1
749 1 36 GLU HA 1 40 LEU H . . 5.160 3.691 3.691 3.691 . 0 0 "[ ]" 1
750 1 36 GLU HA 1 64 ALA MB . . 5.780 2.764 2.764 2.764 . 0 0 "[ ]" 1
751 1 36 GLU HA 1 68 ALA MB . . 4.020 3.001 3.001 3.001 . 0 0 "[ ]" 1
752 1 36 GLU HB2 1 37 GLU H . . 4.940 3.662 3.662 3.662 . 0 0 "[ ]" 1
753 1 36 GLU HB2 1 64 ALA MB . . 5.260 2.884 2.884 2.884 . 0 0 "[ ]" 1
754 1 36 GLU HB2 1 68 ALA MB . . 5.040 3.386 3.386 3.386 . 0 0 "[ ]" 1
755 1 36 GLU HB3 1 37 GLU H . . 4.940 4.097 4.097 4.097 . 0 0 "[ ]" 1
756 1 36 GLU HB3 1 64 ALA MB . . 5.260 3.835 3.835 3.835 . 0 0 "[ ]" 1
757 1 36 GLU HB3 1 68 ALA MB . . 5.040 2.029 2.029 2.029 . 0 0 "[ ]" 1
758 1 36 GLU QB 1 37 GLU H . . 4.510 3.419 3.419 3.419 . 0 0 "[ ]" 1
759 1 36 GLU QB 1 39 ILE MD . . 7.410 4.212 4.212 4.212 . 0 0 "[ ]" 1
760 1 36 GLU QB 1 64 ALA MB . . 5.030 2.805 2.805 2.805 . 0 0 "[ ]" 1
761 1 36 GLU QB 1 68 ALA MB . . 4.570 2.014 2.014 2.014 . 0 0 "[ ]" 1
762 1 36 GLU HG2 1 37 GLU H . . 5.500 2.049 2.049 2.049 . 0 0 "[ ]" 1
763 1 36 GLU HG3 1 37 GLU H . . 5.500 3.742 3.742 3.742 . 0 0 "[ ]" 1
764 1 36 GLU QG 1 37 GLU H . . 4.730 2.040 2.040 2.040 . 0 0 "[ ]" 1
765 1 36 GLU QG 1 64 ALA MB . . 5.860 4.265 4.265 4.265 . 0 0 "[ ]" 1
766 1 36 GLU QG 1 65 ALA HA . . 4.740 3.661 3.661 3.661 . 0 0 "[ ]" 1
767 1 36 GLU QG 1 68 ALA MB . . 5.300 3.658 3.658 3.658 . 0 0 "[ ]" 1
768 1 37 GLU H 1 37 GLU HB2 . . 3.860 2.334 2.334 2.334 . 0 0 "[ ]" 1
769 1 37 GLU H 1 37 GLU HB3 . . 3.860 3.566 3.566 3.566 . 0 0 "[ ]" 1
770 1 37 GLU H 1 37 GLU QB . . 3.570 2.305 2.305 2.305 . 0 0 "[ ]" 1
771 1 37 GLU H 1 37 GLU HG2 . . 5.500 3.724 3.724 3.724 . 0 0 "[ ]" 1
772 1 37 GLU H 1 37 GLU HG3 . . 5.500 2.538 2.538 2.538 . 0 0 "[ ]" 1
773 1 37 GLU H 1 38 GLU H . . 3.730 2.920 2.920 2.920 . 0 0 "[ ]" 1
774 1 37 GLU H 1 38 GLU HB2 . . 5.500 5.115 5.115 5.115 . 0 0 "[ ]" 1
775 1 37 GLU H 1 38 GLU QG . . 6.380 4.432 4.432 4.432 . 0 0 "[ ]" 1
776 1 37 GLU H 1 39 ILE H . . 5.470 4.316 4.316 4.316 . 0 0 "[ ]" 1
777 1 37 GLU HA 1 39 ILE H . . 5.340 4.688 4.688 4.688 . 0 0 "[ ]" 1
778 1 37 GLU HA 1 40 LEU H . . 4.350 3.742 3.742 3.742 . 0 0 "[ ]" 1
779 1 37 GLU HA 1 40 LEU HB2 . . 4.260 3.784 3.784 3.784 . 0 0 "[ ]" 1
780 1 37 GLU HA 1 40 LEU MD2 . . 5.410 3.079 3.079 3.079 . 0 0 "[ ]" 1
781 1 37 GLU HA 1 41 ASP H . . 5.100 3.955 3.955 3.955 . 0 0 "[ ]" 1
782 1 37 GLU HB2 1 38 GLU H . . 4.320 2.793 2.793 2.793 . 0 0 "[ ]" 1
783 1 37 GLU HB3 1 38 GLU H . . 4.320 3.450 3.450 3.450 . 0 0 "[ ]" 1
784 1 37 GLU QB 1 38 GLU H . . 4.120 2.680 2.680 2.680 . 0 0 "[ ]" 1
785 1 37 GLU QG 1 38 GLU H . . 6.380 4.368 4.368 4.368 . 0 0 "[ ]" 1
786 1 38 GLU H 1 38 GLU HB2 . . 3.550 2.390 2.390 2.390 . 0 0 "[ ]" 1
787 1 38 GLU H 1 38 GLU HB3 . . 3.950 3.558 3.558 3.558 . 0 0 "[ ]" 1
788 1 38 GLU H 1 38 GLU HG2 . . 4.420 3.216 3.216 3.216 . 0 0 "[ ]" 1
789 1 38 GLU H 1 38 GLU HG3 . . 4.420 2.404 2.404 2.404 . 0 0 "[ ]" 1
790 1 38 GLU H 1 38 GLU QG . . 4.220 2.341 2.341 2.341 . 0 0 "[ ]" 1
791 1 38 GLU H 1 39 ILE H . . 3.610 2.419 2.419 2.419 . 0 0 "[ ]" 1
792 1 38 GLU H 1 39 ILE HG12 . . 5.500 5.559 5.559 5.559 0.059 1 0 "[ ]" 1
793 1 38 GLU H 1 39 ILE HG13 . . 5.500 4.105 4.105 4.105 . 0 0 "[ ]" 1
794 1 38 GLU H 1 40 LEU H . . 5.440 3.901 3.901 3.901 . 0 0 "[ ]" 1
795 1 38 GLU HA 1 38 GLU HG2 . . 3.860 2.414 2.414 2.414 . 0 0 "[ ]" 1
796 1 38 GLU HA 1 38 GLU HG3 . . 3.860 3.344 3.344 3.344 . 0 0 "[ ]" 1
797 1 38 GLU HA 1 40 LEU H . . 5.500 4.422 4.422 4.422 . 0 0 "[ ]" 1
798 1 38 GLU HA 1 41 ASP H . . 4.380 3.392 3.392 3.392 . 0 0 "[ ]" 1
799 1 38 GLU HA 1 41 ASP HB2 . . 4.200 3.137 3.137 3.137 . 0 0 "[ ]" 1
800 1 38 GLU HA 1 41 ASP HB3 . . 4.200 2.768 2.768 2.768 . 0 0 "[ ]" 1
801 1 38 GLU HA 1 42 ILE H . . 5.340 4.034 4.034 4.034 . 0 0 "[ ]" 1
802 1 38 GLU HB2 1 39 ILE H . . 3.980 2.568 2.568 2.568 . 0 0 "[ ]" 1
803 1 38 GLU HB2 1 39 ILE HG12 . . 5.500 4.375 4.375 4.375 . 0 0 "[ ]" 1
804 1 38 GLU HB2 1 39 ILE HG13 . . 5.500 3.279 3.279 3.279 . 0 0 "[ ]" 1
805 1 38 GLU HB3 1 39 ILE H . . 4.350 3.638 3.638 3.638 . 0 0 "[ ]" 1
806 1 38 GLU HB3 1 42 ILE MD . . 6.190 3.327 3.327 3.327 . 0 0 "[ ]" 1
807 1 38 GLU HG2 1 39 ILE H . . 5.500 4.814 4.814 4.814 . 0 0 "[ ]" 1
808 1 38 GLU HG3 1 39 ILE H . . 5.500 4.245 4.245 4.245 . 0 0 "[ ]" 1
809 1 39 ILE H 1 39 ILE HB . . 3.300 2.484 2.484 2.484 . 0 0 "[ ]" 1
810 1 39 ILE H 1 39 ILE HG12 . . 4.230 3.357 3.357 3.357 . 0 0 "[ ]" 1
811 1 39 ILE H 1 39 ILE HG13 . . 4.230 2.166 2.166 2.166 . 0 0 "[ ]" 1
812 1 39 ILE H 1 39 ILE QG . . 3.760 2.141 2.141 2.141 . 0 0 "[ ]" 1
813 1 39 ILE H 1 39 ILE MD . . 4.980 3.680 3.680 3.680 . 0 0 "[ ]" 1
814 1 39 ILE H 1 40 LEU H . . 4.510 2.623 2.623 2.623 . 0 0 "[ ]" 1
815 1 39 ILE H 1 40 LEU HA . . 5.250 5.262 5.262 5.262 0.012 1 0 "[ ]" 1
816 1 39 ILE H 1 40 LEU HB3 . . 5.340 4.613 4.613 4.613 . 0 0 "[ ]" 1
817 1 39 ILE H 1 41 ASP H . . 5.500 4.168 4.168 4.168 . 0 0 "[ ]" 1
818 1 39 ILE H 1 64 ALA MB . . 5.880 4.220 4.220 4.220 . 0 0 "[ ]" 1
819 1 39 ILE HA 1 39 ILE HG12 . . 2.830 2.294 2.294 2.294 . 0 0 "[ ]" 1
820 1 39 ILE HA 1 39 ILE HG13 . . 2.830 2.919 2.919 2.919 0.089 1 0 "[ ]" 1
821 1 39 ILE HA 1 39 ILE QG . . 2.570 2.214 2.214 2.214 . 0 0 "[ ]" 1
822 1 39 ILE HA 1 42 ILE H . . 3.920 3.502 3.502 3.502 . 0 0 "[ ]" 1
823 1 39 ILE HA 1 42 ILE HB . . 5.500 2.813 2.813 2.813 . 0 0 "[ ]" 1
824 1 39 ILE HA 1 42 ILE MD . . 3.990 2.838 2.838 2.838 . 0 0 "[ ]" 1
825 1 39 ILE HA 1 43 ILE H . . 4.850 4.078 4.078 4.078 . 0 0 "[ ]" 1
826 1 39 ILE HB 1 40 LEU H . . 3.670 2.687 2.687 2.687 . 0 0 "[ ]" 1
827 1 39 ILE HB 1 40 LEU HA . . 5.500 4.431 4.431 4.431 . 0 0 "[ ]" 1
828 1 39 ILE HB 1 64 ALA HA . . 4.970 3.187 3.187 3.187 . 0 0 "[ ]" 1
829 1 39 ILE HB 1 64 ALA MB . . 5.070 2.679 2.679 2.679 . 0 0 "[ ]" 1
830 1 39 ILE MG 1 40 LEU H . . 5.320 3.449 3.449 3.449 . 0 0 "[ ]" 1
831 1 39 ILE MG 1 40 LEU HA . . 5.540 3.510 3.510 3.510 . 0 0 "[ ]" 1
832 1 39 ILE MG 1 42 ILE HB . . 6.400 3.847 3.847 3.847 . 0 0 "[ ]" 1
833 1 39 ILE MG 1 42 ILE MD . . 7.560 4.038 4.038 4.038 . 0 0 "[ ]" 1
834 1 39 ILE MG 1 43 ILE H . . 6.220 3.864 3.864 3.864 . 0 0 "[ ]" 1
835 1 39 ILE MG 1 43 ILE HB . . 6.530 4.203 4.203 4.203 . 0 0 "[ ]" 1
836 1 39 ILE MG 1 43 ILE HG12 . . 5.780 3.952 3.952 3.952 . 0 0 "[ ]" 1
837 1 39 ILE MG 1 43 ILE MD . . 5.850 2.069 2.069 2.069 . 0 0 "[ ]" 1
838 1 39 ILE MG 1 63 VAL MG1 . . 7.560 3.518 3.518 3.518 . 0 0 "[ ]" 1
839 1 39 ILE MG 1 64 ALA H . . 6.160 4.109 4.109 4.109 . 0 0 "[ ]" 1
840 1 39 ILE MG 1 64 ALA HA . . 3.610 2.196 2.196 2.196 . 0 0 "[ ]" 1
841 1 39 ILE MG 1 64 ALA MB . . 5.790 2.714 2.714 2.714 . 0 0 "[ ]" 1
842 1 39 ILE MG 1 67 LEU HB2 . . 4.570 2.519 2.519 2.519 . 0 0 "[ ]" 1
843 1 39 ILE MG 1 67 LEU HB3 . . 4.540 3.217 3.217 3.217 . 0 0 "[ ]" 1
844 1 39 ILE MG 1 67 LEU QD . . 8.160 2.428 2.428 2.428 . 0 0 "[ ]" 1
845 1 39 ILE MG 1 68 ALA H . . 6.530 4.338 4.338 4.338 . 0 0 "[ ]" 1
846 1 39 ILE MG 1 68 ALA MB . . 7.560 4.730 4.730 4.730 . 0 0 "[ ]" 1
847 1 39 ILE QG 1 40 LEU H . . 6.380 4.016 4.016 4.016 . 0 0 "[ ]" 1
848 1 39 ILE QG 1 67 LEU HB2 . . 6.380 4.811 4.811 4.811 . 0 0 "[ ]" 1
849 1 39 ILE MD 1 40 LEU H . . 6.530 4.727 4.727 4.727 . 0 0 "[ ]" 1
850 1 39 ILE MD 1 64 ALA HA . . 5.500 3.649 3.649 3.649 . 0 0 "[ ]" 1
851 1 39 ILE MD 1 67 LEU HB2 . . 4.510 2.854 2.854 2.854 . 0 0 "[ ]" 1
852 1 39 ILE MD 1 67 LEU HB3 . . 4.200 2.637 2.637 2.637 . 0 0 "[ ]" 1
853 1 39 ILE MD 1 67 LEU MD1 . . 7.560 3.067 3.067 3.067 . 0 0 "[ ]" 1
854 1 39 ILE MD 1 67 LEU MD2 . . 7.560 4.373 4.373 4.373 . 0 0 "[ ]" 1
855 1 39 ILE MD 1 68 ALA H . . 5.040 3.387 3.387 3.387 . 0 0 "[ ]" 1
856 1 39 ILE MD 1 68 ALA HA . . 3.890 2.948 2.948 2.948 . 0 0 "[ ]" 1
857 1 39 ILE MD 1 68 ALA MB . . 6.100 3.358 3.358 3.358 . 0 0 "[ ]" 1
858 1 40 LEU H 1 40 LEU HB2 . . 3.110 2.580 2.580 2.580 . 0 0 "[ ]" 1
859 1 40 LEU H 1 40 LEU HB3 . . 3.360 2.352 2.352 2.352 . 0 0 "[ ]" 1
860 1 40 LEU H 1 40 LEU HG . . 5.190 4.359 4.359 4.359 . 0 0 "[ ]" 1
861 1 40 LEU H 1 40 LEU MD1 . . 5.470 4.193 4.193 4.193 . 0 0 "[ ]" 1
862 1 40 LEU H 1 40 LEU MD2 . . 5.380 4.171 4.171 4.171 . 0 0 "[ ]" 1
863 1 40 LEU H 1 41 ASP H . . 3.790 2.717 2.717 2.717 . 0 0 "[ ]" 1
864 1 40 LEU H 1 43 ILE MD . . 6.530 3.996 3.996 3.996 . 0 0 "[ ]" 1
865 1 40 LEU H 1 64 ALA HA . . 5.500 4.595 4.595 4.595 . 0 0 "[ ]" 1
866 1 40 LEU HA 1 40 LEU HG . . 4.230 3.256 3.256 3.256 . 0 0 "[ ]" 1
867 1 40 LEU HA 1 40 LEU MD1 . . 3.550 2.130 2.130 2.130 . 0 0 "[ ]" 1
868 1 40 LEU HA 1 43 ILE H . . 4.040 3.373 3.373 3.373 . 0 0 "[ ]" 1
869 1 40 LEU HA 1 43 ILE HB . . 3.610 2.565 2.565 2.565 . 0 0 "[ ]" 1
870 1 40 LEU HA 1 43 ILE MG . . 5.660 3.995 3.995 3.995 . 0 0 "[ ]" 1
871 1 40 LEU HA 1 43 ILE HG12 . . 5.500 4.889 4.889 4.889 . 0 0 "[ ]" 1
872 1 40 LEU HA 1 43 ILE HG13 . . 4.350 3.905 3.905 3.905 . 0 0 "[ ]" 1
873 1 40 LEU HA 1 43 ILE MD . . 4.230 2.281 2.281 2.281 . 0 0 "[ ]" 1
874 1 40 LEU HA 1 44 LEU H . . 5.380 3.983 3.983 3.983 . 0 0 "[ ]" 1
875 1 40 LEU HA 1 60 ALA MB . . 5.940 3.721 3.721 3.721 . 0 0 "[ ]" 1
876 1 40 LEU HB2 1 40 LEU MD1 . . 3.610 2.490 2.490 2.490 . 0 0 "[ ]" 1
877 1 40 LEU HB2 1 41 ASP H . . 3.950 3.902 3.902 3.902 . 0 0 "[ ]" 1
878 1 40 LEU HB2 1 61 GLU HA . . 5.500 3.655 3.655 3.655 . 0 0 "[ ]" 1
879 1 40 LEU HB3 1 41 ASP H . . 3.670 2.503 2.503 2.503 . 0 0 "[ ]" 1
880 1 40 LEU HG 1 41 ASP H . . 5.470 3.458 3.458 3.458 . 0 0 "[ ]" 1
881 1 40 LEU HG 1 44 LEU H . . 5.500 4.419 4.419 4.419 . 0 0 "[ ]" 1
882 1 40 LEU HG 1 44 LEU QD . . 5.310 2.284 2.284 2.284 . 0 0 "[ ]" 1
883 1 40 LEU MD1 1 41 ASP H . . 6.530 4.416 4.416 4.416 . 0 0 "[ ]" 1
884 1 40 LEU MD1 1 43 ILE H . . 6.530 4.572 4.572 4.572 . 0 0 "[ ]" 1
885 1 40 LEU MD1 1 43 ILE HB . . 4.670 2.984 2.984 2.984 . 0 0 "[ ]" 1
886 1 40 LEU MD1 1 43 ILE MD . . 6.900 3.193 3.193 3.193 . 0 0 "[ ]" 1
887 1 40 LEU MD1 1 44 LEU H . . 5.570 3.882 3.882 3.882 . 0 0 "[ ]" 1
888 1 40 LEU MD1 1 44 LEU QD . . 7.330 2.238 2.238 2.238 . 0 0 "[ ]" 1
889 1 40 LEU MD1 1 60 ALA H . . 6.530 4.438 4.438 4.438 . 0 0 "[ ]" 1
890 1 40 LEU MD1 1 60 ALA HA . . 5.880 3.813 3.813 3.813 . 0 0 "[ ]" 1
891 1 40 LEU MD1 1 60 ALA MB . . 5.880 2.058 2.058 2.058 . 0 0 "[ ]" 1
892 1 40 LEU MD1 1 61 GLU H . . 5.190 3.065 3.065 3.065 . 0 0 "[ ]" 1
893 1 40 LEU MD1 1 61 GLU HA . . 3.860 2.169 2.169 2.169 . 0 0 "[ ]" 1
894 1 40 LEU MD1 1 61 GLU HB2 . . 6.370 4.243 4.243 4.243 . 0 0 "[ ]" 1
895 1 40 LEU MD1 1 61 GLU HB3 . . 5.630 4.069 4.069 4.069 . 0 0 "[ ]" 1
896 1 40 LEU MD1 1 61 GLU HG2 . . 4.570 2.763 2.763 2.763 . 0 0 "[ ]" 1
897 1 40 LEU MD1 1 61 GLU HG3 . . 4.700 2.738 2.738 2.738 . 0 0 "[ ]" 1
898 1 40 LEU MD1 1 64 ALA H . . 6.310 4.033 4.033 4.033 . 0 0 "[ ]" 1
899 1 40 LEU MD2 1 41 ASP H . . 6.030 4.086 4.086 4.086 . 0 0 "[ ]" 1
900 1 40 LEU MD2 1 61 GLU HA . . 5.100 3.005 3.005 3.005 . 0 0 "[ ]" 1
901 1 40 LEU MD2 1 61 GLU HB2 . . 6.470 4.827 4.827 4.827 . 0 0 "[ ]" 1
902 1 40 LEU MD2 1 61 GLU HB3 . . 5.750 4.029 4.029 4.029 . 0 0 "[ ]" 1
903 1 40 LEU MD2 1 61 GLU HG2 . . 4.170 2.444 2.444 2.444 . 0 0 "[ ]" 1
904 1 40 LEU MD2 1 61 GLU HG3 . . 4.850 3.369 3.369 3.369 . 0 0 "[ ]" 1
905 1 41 ASP H 1 41 ASP HB2 . . 3.520 2.354 2.354 2.354 . 0 0 "[ ]" 1
906 1 41 ASP H 1 41 ASP HB3 . . 3.520 2.740 2.740 2.740 . 0 0 "[ ]" 1
907 1 41 ASP H 1 41 ASP QB . . 3.310 2.225 2.225 2.225 . 0 0 "[ ]" 1
908 1 41 ASP H 1 42 ILE H . . 3.700 2.997 2.997 2.997 . 0 0 "[ ]" 1
909 1 41 ASP H 1 43 ILE H . . 5.310 4.390 4.390 4.390 . 0 0 "[ ]" 1
910 1 41 ASP H 1 44 LEU H . . 5.500 4.722 4.722 4.722 . 0 0 "[ ]" 1
911 1 41 ASP HA 1 44 LEU H . . 4.260 3.497 3.497 3.497 . 0 0 "[ ]" 1
912 1 41 ASP HA 1 44 LEU QB . . 4.770 2.646 2.646 2.646 . 0 0 "[ ]" 1
913 1 41 ASP HA 1 45 ASN H . . 4.350 4.267 4.267 4.267 . 0 0 "[ ]" 1
914 1 41 ASP HA 1 45 ASN HD21 . . 5.500 3.255 3.255 3.255 . 0 0 "[ ]" 1
915 1 41 ASP HA 1 45 ASN HD22 . . 5.500 3.492 3.492 3.492 . 0 0 "[ ]" 1
916 1 41 ASP HA 1 45 ASN QD . . 5.000 2.993 2.993 2.993 . 0 0 "[ ]" 1
917 1 41 ASP HB2 1 42 ILE H . . 4.170 3.767 3.767 3.767 . 0 0 "[ ]" 1
918 1 41 ASP HB2 1 45 ASN HD21 . . 5.500 4.209 4.209 4.209 . 0 0 "[ ]" 1
919 1 41 ASP HB2 1 45 ASN HD22 . . 5.500 4.743 4.743 4.743 . 0 0 "[ ]" 1
920 1 41 ASP HB3 1 42 ILE H . . 4.170 2.455 2.455 2.455 . 0 0 "[ ]" 1
921 1 41 ASP HB3 1 45 ASN HD21 . . 5.500 4.068 4.068 4.068 . 0 0 "[ ]" 1
922 1 41 ASP HB3 1 45 ASN HD22 . . 5.500 5.190 5.190 5.190 . 0 0 "[ ]" 1
923 1 41 ASP QB 1 42 ILE H . . 3.970 2.425 2.425 2.425 . 0 0 "[ ]" 1
924 1 41 ASP QB 1 42 ILE HA . . 6.380 4.181 4.181 4.181 . 0 0 "[ ]" 1
925 1 41 ASP QB 1 42 ILE HB . . 6.380 4.636 4.636 4.636 . 0 0 "[ ]" 1
926 1 42 ILE H 1 42 ILE HB . . 2.960 2.456 2.456 2.456 . 0 0 "[ ]" 1
927 1 42 ILE H 1 42 ILE MD . . 5.010 3.369 3.369 3.369 . 0 0 "[ ]" 1
928 1 42 ILE H 1 43 ILE H . . 3.730 2.946 2.946 2.946 . 0 0 "[ ]" 1
929 1 42 ILE H 1 43 ILE HB . . 5.250 5.069 5.069 5.069 . 0 0 "[ ]" 1
930 1 42 ILE H 1 44 LEU H . . 5.130 4.298 4.298 4.298 . 0 0 "[ ]" 1
931 1 42 ILE H 1 45 ASN H . . 5.500 4.714 4.714 4.714 . 0 0 "[ ]" 1
932 1 42 ILE HA 1 42 ILE QG . . 3.920 2.430 2.430 2.430 . 0 0 "[ ]" 1
933 1 42 ILE HA 1 46 GLY H . . 4.170 4.253 4.253 4.253 0.083 1 0 "[ ]" 1
934 1 42 ILE HA 1 47 GLN HB2 . . 5.500 3.762 3.762 3.762 . 0 0 "[ ]" 1
935 1 42 ILE HA 1 47 GLN HB3 . . 5.500 4.795 4.795 4.795 . 0 0 "[ ]" 1
936 1 42 ILE HB 1 42 ILE QG . . 2.650 2.422 2.422 2.422 . 0 0 "[ ]" 1
937 1 42 ILE HB 1 42 ILE MD . . 3.460 2.298 2.298 2.298 . 0 0 "[ ]" 1
938 1 42 ILE HB 1 43 ILE H . . 3.700 2.735 2.735 2.735 . 0 0 "[ ]" 1
939 1 42 ILE HB 1 47 GLN HB2 . . 5.500 5.204 5.204 5.204 . 0 0 "[ ]" 1
940 1 42 ILE HB 1 47 GLN HB3 . . 5.500 5.534 5.534 5.534 0.034 1 0 "[ ]" 1
941 1 42 ILE HB 1 50 MET ME . . 6.500 4.464 4.464 4.464 . 0 0 "[ ]" 1
942 1 42 ILE MG 1 50 MET ME . . 6.500 2.633 2.633 2.633 . 0 0 "[ ]" 1
943 1 42 ILE QG 1 47 GLN QB . . 4.920 2.890 2.890 2.890 . 0 0 "[ ]" 1
944 1 42 ILE MD 1 43 ILE H . . 6.280 4.594 4.594 4.594 . 0 0 "[ ]" 1
945 1 42 ILE MD 1 47 GLN HE21 . . 6.000 4.269 4.269 4.269 . 0 0 "[ ]" 1
946 1 42 ILE MD 1 47 GLN HE22 . . 5.320 3.145 3.145 3.145 . 0 0 "[ ]" 1
947 1 43 ILE H 1 43 ILE HB . . 2.800 2.467 2.467 2.467 . 0 0 "[ ]" 1
948 1 43 ILE H 1 43 ILE HG12 . . 3.980 3.714 3.714 3.714 . 0 0 "[ ]" 1
949 1 43 ILE H 1 43 ILE HG13 . . 3.020 2.294 2.294 2.294 . 0 0 "[ ]" 1
950 1 43 ILE H 1 43 ILE MD . . 4.850 3.260 3.260 3.260 . 0 0 "[ ]" 1
951 1 43 ILE H 1 44 LEU H . . 3.610 2.831 2.831 2.831 . 0 0 "[ ]" 1
952 1 43 ILE H 1 44 LEU HG . . 5.500 4.729 4.729 4.729 . 0 0 "[ ]" 1
953 1 43 ILE H 1 45 ASN H . . 5.340 4.191 4.191 4.191 . 0 0 "[ ]" 1
954 1 43 ILE H 1 46 GLY H . . 5.500 5.492 5.492 5.492 . 0 0 "[ ]" 1
955 1 43 ILE H 1 50 MET ME . . 6.500 3.977 3.977 3.977 . 0 0 "[ ]" 1
956 1 43 ILE HA 1 43 ILE HG12 . . 3.550 2.653 2.653 2.653 . 0 0 "[ ]" 1
957 1 43 ILE HA 1 50 MET ME . . 3.000 2.177 2.177 2.177 . 0 0 "[ ]" 1
958 1 43 ILE HB 1 44 LEU H . . 3.420 2.751 2.751 2.751 . 0 0 "[ ]" 1
959 1 43 ILE HB 1 60 ALA MB . . 4.670 3.045 3.045 3.045 . 0 0 "[ ]" 1
960 1 43 ILE MG 1 44 LEU H . . 5.100 3.346 3.346 3.346 . 0 0 "[ ]" 1
961 1 43 ILE MG 1 44 LEU HA . . 5.290 3.423 3.423 3.423 . 0 0 "[ ]" 1
962 1 43 ILE MG 1 50 MET ME . . 6.500 3.382 3.382 3.382 . 0 0 "[ ]" 1
963 1 43 ILE MG 1 54 ILE H . . 6.030 3.536 3.536 3.536 . 0 0 "[ ]" 1
964 1 43 ILE MG 1 55 ALA H . . 4.330 2.546 2.546 2.546 . 0 0 "[ ]" 1
965 1 43 ILE MG 1 60 ALA HA . . 4.420 2.602 2.602 2.602 . 0 0 "[ ]" 1
966 1 43 ILE MG 1 60 ALA MB . . 5.600 2.214 2.214 2.214 . 0 0 "[ ]" 1
967 1 43 ILE HG12 1 44 LEU H . . 5.500 5.200 5.200 5.200 . 0 0 "[ ]" 1
968 1 43 ILE HG12 1 50 MET ME . . 6.500 3.044 3.044 3.044 . 0 0 "[ ]" 1
969 1 43 ILE HG12 1 60 ALA HA . . 5.500 5.006 5.006 5.006 . 0 0 "[ ]" 1
970 1 43 ILE HG12 1 60 ALA MB . . 6.530 4.723 4.723 4.723 . 0 0 "[ ]" 1
971 1 43 ILE HG12 1 63 VAL MG1 . . 5.940 3.720 3.720 3.720 . 0 0 "[ ]" 1
972 1 43 ILE HG13 1 50 MET ME . . 6.500 3.305 3.305 3.305 . 0 0 "[ ]" 1
973 1 43 ILE MD 1 44 LEU H . . 6.250 4.508 4.508 4.508 . 0 0 "[ ]" 1
974 1 43 ILE MD 1 55 ALA MB . . 6.810 3.785 3.785 3.785 . 0 0 "[ ]" 1
975 1 43 ILE MD 1 60 ALA HA . . 4.640 3.058 3.058 3.058 . 0 0 "[ ]" 1
976 1 43 ILE MD 1 60 ALA MB . . 6.590 3.212 3.212 3.212 . 0 0 "[ ]" 1
977 1 43 ILE MD 1 63 VAL H . . 6.160 4.517 4.517 4.517 . 0 0 "[ ]" 1
978 1 43 ILE MD 1 64 ALA H . . 5.010 2.858 2.858 2.858 . 0 0 "[ ]" 1
979 1 43 ILE MD 1 64 ALA HA . . 4.980 2.850 2.850 2.850 . 0 0 "[ ]" 1
980 1 44 LEU H 1 44 LEU HB2 . . 3.830 2.405 2.405 2.405 . 0 0 "[ ]" 1
981 1 44 LEU H 1 44 LEU HB3 . . 3.830 3.589 3.589 3.589 . 0 0 "[ ]" 1
982 1 44 LEU H 1 44 LEU QB . . 3.540 2.371 2.371 2.371 . 0 0 "[ ]" 1
983 1 44 LEU H 1 44 LEU HG . . 3.110 2.434 2.434 2.434 . 0 0 "[ ]" 1
984 1 44 LEU H 1 45 ASN H . . 3.610 2.741 2.741 2.741 . 0 0 "[ ]" 1
985 1 44 LEU H 1 46 GLY H . . 5.000 4.398 4.398 4.398 . 0 0 "[ ]" 1
986 1 44 LEU H 1 60 ALA MB . . 6.310 4.291 4.291 4.291 . 0 0 "[ ]" 1
987 1 44 LEU HA 1 53 GLY H . . 3.860 2.684 2.684 2.684 . 0 0 "[ ]" 1
988 1 44 LEU HA 1 53 GLY HA2 . . 5.340 2.492 2.492 2.492 . 0 0 "[ ]" 1
989 1 44 LEU HA 1 54 ILE H . . 5.500 4.465 4.465 4.465 . 0 0 "[ ]" 1
990 1 44 LEU HB2 1 45 ASN H . . 3.920 3.116 3.116 3.116 . 0 0 "[ ]" 1
991 1 44 LEU HB2 1 45 ASN HD21 . . 7.230 3.913 3.913 3.913 . 0 0 "[ ]" 1
992 1 44 LEU HB2 1 45 ASN HD22 . . 7.230 3.577 3.577 3.577 . 0 0 "[ ]" 1
993 1 44 LEU HB3 1 45 ASN H . . 3.920 3.955 3.955 3.955 0.035 1 0 "[ ]" 1
994 1 44 LEU HB3 1 45 ASN HD21 . . 7.230 4.937 4.937 4.937 . 0 0 "[ ]" 1
995 1 44 LEU HB3 1 45 ASN HD22 . . 7.230 4.146 4.146 4.146 . 0 0 "[ ]" 1
996 1 44 LEU QB 1 45 ASN H . . 3.650 3.007 3.007 3.007 . 0 0 "[ ]" 1
997 1 44 LEU QB 1 45 ASN QD . . 5.850 3.151 3.151 3.151 . 0 0 "[ ]" 1
998 1 44 LEU QB 1 46 GLY H . . 6.190 4.559 4.559 4.559 . 0 0 "[ ]" 1
999 1 44 LEU HG 1 45 ASN H . . 5.500 4.744 4.744 4.744 . 0 0 "[ ]" 1
1000 1 44 LEU HG 1 60 ALA MB . . 4.980 3.244 3.244 3.244 . 0 0 "[ ]" 1
1001 1 44 LEU QD 1 45 ASN H . . 7.070 4.398 4.398 4.398 . 0 0 "[ ]" 1
1002 1 44 LEU QD 1 45 ASN QD . . 8.810 3.678 3.678 3.678 . 0 0 "[ ]" 1
1003 1 44 LEU QD 1 55 ALA H . . 8.100 5.186 5.186 5.186 . 0 0 "[ ]" 1
1004 1 44 LEU QD 1 56 LYS HA . . 5.460 2.598 2.598 2.598 . 0 0 "[ ]" 1
1005 1 44 LEU QD 1 57 GLY H . . 5.900 2.927 2.927 2.927 . 0 0 "[ ]" 1
1006 1 44 LEU QD 1 57 GLY QA . . 8.980 4.012 4.012 4.012 . 0 0 "[ ]" 1
1007 1 44 LEU QD 1 60 ALA H . . 8.100 4.564 4.564 4.564 . 0 0 "[ ]" 1
1008 1 44 LEU QD 1 60 ALA HA . . 8.100 4.733 4.733 4.733 . 0 0 "[ ]" 1
1009 1 44 LEU QD 1 60 ALA MB . . 7.200 2.449 2.449 2.449 . 0 0 "[ ]" 1
1010 1 45 ASN H 1 45 ASN HB2 . . 3.450 2.629 2.629 2.629 . 0 0 "[ ]" 1
1011 1 45 ASN H 1 45 ASN HB3 . . 3.950 3.794 3.794 3.794 . 0 0 "[ ]" 1
1012 1 45 ASN H 1 45 ASN HD21 . . 5.500 4.042 4.042 4.042 . 0 0 "[ ]" 1
1013 1 45 ASN H 1 45 ASN HD22 . . 5.500 4.769 4.769 4.769 . 0 0 "[ ]" 1
1014 1 45 ASN H 1 45 ASN QD . . 5.290 3.835 3.835 3.835 . 0 0 "[ ]" 1
1015 1 45 ASN H 1 46 GLY H . . 3.140 2.217 2.217 2.217 . 0 0 "[ ]" 1
1016 1 45 ASN H 1 46 GLY HA2 . . 4.850 3.739 3.739 3.739 . 0 0 "[ ]" 1
1017 1 45 ASN H 1 46 GLY HA3 . . 5.250 4.653 4.653 4.653 . 0 0 "[ ]" 1
1018 1 45 ASN H 1 52 GLY HA2 . . 5.500 3.995 3.995 3.995 . 0 0 "[ ]" 1
1019 1 45 ASN H 1 52 GLY HA3 . . 5.500 4.188 4.188 4.188 . 0 0 "[ ]" 1
1020 1 45 ASN H 1 53 GLY H . . 5.500 3.876 3.876 3.876 . 0 0 "[ ]" 1
1021 1 45 ASN HA 1 45 ASN HD22 . . 5.500 4.744 4.744 4.744 . 0 0 "[ ]" 1
1022 1 45 ASN HA 1 46 GLY HA2 . . 5.500 4.971 4.971 4.971 . 0 0 "[ ]" 1
1023 1 45 ASN HA 1 46 GLY HA3 . . 5.500 4.814 4.814 4.814 . 0 0 "[ ]" 1
1024 1 45 ASN HA 1 52 GLY QA . . 5.980 2.956 2.956 2.956 . 0 0 "[ ]" 1
1025 1 45 ASN HA 1 53 GLY H . . 4.850 4.433 4.433 4.433 . 0 0 "[ ]" 1
1026 1 45 ASN HB2 1 46 GLY H . . 4.450 3.865 3.865 3.865 . 0 0 "[ ]" 1
1027 1 45 ASN HB3 1 46 GLY H . . 4.850 4.311 4.311 4.311 . 0 0 "[ ]" 1
1028 1 46 GLY H 1 47 GLN H . . 4.940 4.711 4.711 4.711 . 0 0 "[ ]" 1
1029 1 46 GLY H 1 52 GLY H . . 5.500 4.000 4.000 4.000 . 0 0 "[ ]" 1
1030 1 46 GLY H 1 52 GLY HA2 . . 4.380 1.989 1.989 1.989 . 0 0 "[ ]" 1
1031 1 46 GLY H 1 52 GLY HA3 . . 4.380 2.296 2.296 2.296 . 0 0 "[ ]" 1
1032 1 46 GLY H 1 52 GLY QA . . 4.200 1.875 1.875 1.875 . 0 0 "[ ]" 1
1033 1 46 GLY H 1 53 GLY H . . 5.220 2.906 2.906 2.906 . 0 0 "[ ]" 1
1034 1 46 GLY HA2 1 50 MET QB . . 6.100 3.492 3.492 3.492 . 0 0 "[ ]" 1
1035 1 46 GLY HA2 1 50 MET QG . . 6.380 2.775 2.775 2.775 . 0 0 "[ ]" 1
1036 1 46 GLY HA2 1 50 MET ME . . 6.500 2.328 2.328 2.328 . 0 0 "[ ]" 1
1037 1 46 GLY HA2 1 52 GLY H . . 4.820 4.483 4.483 4.483 . 0 0 "[ ]" 1
1038 1 46 GLY HA2 1 52 GLY HA2 . . 4.290 2.733 2.733 2.733 . 0 0 "[ ]" 1
1039 1 46 GLY HA2 1 52 GLY HA3 . . 4.290 3.887 3.887 3.887 . 0 0 "[ ]" 1
1040 1 46 GLY HA2 1 52 GLY QA . . 4.060 2.682 2.682 2.682 . 0 0 "[ ]" 1
1041 1 46 GLY HA3 1 47 GLN HA . . 5.470 4.567 4.567 4.567 . 0 0 "[ ]" 1
1042 1 46 GLY HA3 1 50 MET QB . . 5.950 3.418 3.418 3.418 . 0 0 "[ ]" 1
1043 1 46 GLY HA3 1 50 MET ME . . 6.500 3.482 3.482 3.482 . 0 0 "[ ]" 1
1044 1 46 GLY HA3 1 51 PRO HA . . 4.910 3.458 3.458 3.458 . 0 0 "[ ]" 1
1045 1 46 GLY HA3 1 52 GLY H . . 4.200 3.057 3.057 3.057 . 0 0 "[ ]" 1
1046 1 46 GLY HA3 1 52 GLY HA2 . . 3.860 2.523 2.523 2.523 . 0 0 "[ ]" 1
1047 1 46 GLY HA3 1 52 GLY HA3 . . 3.860 3.191 3.191 3.191 . 0 0 "[ ]" 1
1048 1 46 GLY HA3 1 52 GLY QA . . 3.440 2.433 2.433 2.433 . 0 0 "[ ]" 1
1049 1 46 GLY HA3 1 54 ILE HB . . 5.500 5.727 5.727 5.727 0.227 1 0 "[ ]" 1
1050 1 47 GLN H 1 48 GLY H . . 5.130 3.963 3.963 3.963 . 0 0 "[ ]" 1
1051 1 47 GLN H 1 50 MET H . . 4.850 3.526 3.526 3.526 . 0 0 "[ ]" 1
1052 1 47 GLN HA 1 47 GLN QG . . 3.930 2.457 2.457 2.457 . 0 0 "[ ]" 1
1053 1 47 GLN HA 1 48 GLY H . . 2.960 2.257 2.257 2.257 . 0 0 "[ ]" 1
1054 1 47 GLN HA 1 48 GLY HA2 . . 5.040 4.442 4.442 4.442 . 0 0 "[ ]" 1
1055 1 47 GLN HA 1 48 GLY HA3 . . 5.500 4.529 4.529 4.529 . 0 0 "[ ]" 1
1056 1 47 GLN HB2 1 48 GLY H . . 5.500 4.234 4.234 4.234 . 0 0 "[ ]" 1
1057 1 47 GLN HB3 1 48 GLY H . . 5.500 4.303 4.303 4.303 . 0 0 "[ ]" 1
1058 1 47 GLN QB 1 50 MET QB . . 7.250 2.939 2.939 2.939 . 0 0 "[ ]" 1
1059 1 47 GLN HG2 1 48 GLY H . . 4.910 3.261 3.261 3.261 . 0 0 "[ ]" 1
1060 1 47 GLN HG2 1 48 GLY HA2 . . 5.500 4.558 4.558 4.558 . 0 0 "[ ]" 1
1061 1 47 GLN HG2 1 48 GLY HA3 . . 5.500 3.471 3.471 3.471 . 0 0 "[ ]" 1
1062 1 47 GLN HG3 1 48 GLY H . . 4.910 2.885 2.885 2.885 . 0 0 "[ ]" 1
1063 1 47 GLN HG3 1 48 GLY HA2 . . 5.500 4.771 4.771 4.771 . 0 0 "[ ]" 1
1064 1 47 GLN HG3 1 48 GLY HA3 . . 5.500 4.293 4.293 4.293 . 0 0 "[ ]" 1
1065 1 47 GLN QG 1 48 GLY H . . 4.600 2.703 2.703 2.703 . 0 0 "[ ]" 1
1066 1 48 GLY H 1 49 GLY H . . 4.690 4.571 4.571 4.571 . 0 0 "[ ]" 1
1067 1 48 GLY HA2 1 49 GLY H . . 3.610 3.458 3.458 3.458 . 0 0 "[ ]" 1
1068 1 48 GLY HA3 1 49 GLY H . . 3.080 2.331 2.331 2.331 . 0 0 "[ ]" 1
1069 1 48 GLY HA3 1 50 MET H . . 4.940 3.810 3.810 3.810 . 0 0 "[ ]" 1
1070 1 49 GLY H 1 50 MET H . . 4.140 2.580 2.580 2.580 . 0 0 "[ ]" 1
1071 1 50 MET HA 1 50 MET QG . . 3.610 2.340 2.340 2.340 . 0 0 "[ ]" 1
1072 1 50 MET QG 1 51 PRO QD . . 4.750 2.443 2.443 2.443 . 0 0 "[ ]" 1
1073 1 50 MET QG 1 54 ILE MD . . 7.380 2.384 2.384 2.384 . 0 0 "[ ]" 1
1074 1 50 MET ME 1 51 PRO HD3 . . 6.500 5.482 5.482 5.482 . 0 0 "[ ]" 1
1075 1 50 MET ME 1 51 PRO HD2 . . 6.500 4.101 4.101 4.101 . 0 0 "[ ]" 1
1076 1 50 MET ME 1 54 ILE HB . . 6.500 2.998 2.998 2.998 . 0 0 "[ ]" 1
1077 1 50 MET ME 1 54 ILE MD . . 6.500 2.350 2.350 2.350 . 0 0 "[ ]" 1
1078 1 51 PRO HB2 1 52 GLY H . . 3.920 3.223 3.223 3.223 . 0 0 "[ ]" 1
1079 1 51 PRO HB3 1 52 GLY H . . 3.920 3.865 3.865 3.865 . 0 0 "[ ]" 1
1080 1 51 PRO QB 1 54 ILE H . . 6.380 5.349 5.349 5.349 . 0 0 "[ ]" 1
1081 1 51 PRO QB 1 54 ILE QG . . 7.250 3.492 3.492 3.492 . 0 0 "[ ]" 1
1082 1 51 PRO QB 1 54 ILE MD . . 6.880 3.792 3.792 3.792 . 0 0 "[ ]" 1
1083 1 51 PRO QG 1 54 ILE H . . 6.380 5.084 5.084 5.084 . 0 0 "[ ]" 1
1084 1 51 PRO QG 1 54 ILE QG . . 7.250 2.449 2.449 2.449 . 0 0 "[ ]" 1
1085 1 51 PRO QG 1 54 ILE MD . . 5.210 2.169 2.169 2.169 . 0 0 "[ ]" 1
1086 1 51 PRO QD 1 54 ILE MD . . 5.080 2.104 2.104 2.104 . 0 0 "[ ]" 1
1087 1 52 GLY H 1 53 GLY H . . 4.660 4.609 4.609 4.609 . 0 0 "[ ]" 1
1088 1 52 GLY HA2 1 53 GLY H . . 3.580 2.161 2.161 2.161 . 0 0 "[ ]" 1
1089 1 52 GLY HA3 1 53 GLY H . . 3.580 2.869 2.869 2.869 . 0 0 "[ ]" 1
1090 1 52 GLY QA 1 54 ILE H . . 5.820 3.242 3.242 3.242 . 0 0 "[ ]" 1
1091 1 53 GLY H 1 54 ILE H . . 3.980 2.418 2.418 2.418 . 0 0 "[ ]" 1
1092 1 53 GLY H 1 55 ALA H . . 5.000 4.986 4.986 4.986 . 0 0 "[ ]" 1
1093 1 53 GLY HA2 1 55 ALA H . . 4.850 4.391 4.391 4.391 . 0 0 "[ ]" 1
1094 1 53 GLY HA2 1 56 LYS QE . . 6.380 3.056 3.056 3.056 . 0 0 "[ ]" 1
1095 1 53 GLY HA3 1 54 ILE QG . . 6.380 5.284 5.284 5.284 . 0 0 "[ ]" 1
1096 1 53 GLY HA3 1 55 ALA H . . 5.500 5.552 5.552 5.552 0.052 1 0 "[ ]" 1
1097 1 53 GLY HA3 1 56 LYS QE . . 6.380 2.376 2.376 2.376 . 0 0 "[ ]" 1
1098 1 54 ILE H 1 54 ILE HB . . 3.330 1.993 1.993 1.993 . 0 0 "[ ]" 1
1099 1 54 ILE H 1 54 ILE HG12 . . 4.230 4.062 4.062 4.062 . 0 0 "[ ]" 1
1100 1 54 ILE H 1 54 ILE HG13 . . 4.230 2.930 2.930 2.930 . 0 0 "[ ]" 1
1101 1 54 ILE H 1 54 ILE QG . . 3.770 2.866 2.866 2.866 . 0 0 "[ ]" 1
1102 1 54 ILE H 1 54 ILE MD . . 5.780 3.629 3.629 3.629 . 0 0 "[ ]" 1
1103 1 54 ILE H 1 55 ALA H . . 3.480 3.179 3.179 3.179 . 0 0 "[ ]" 1
1104 1 54 ILE HA 1 54 ILE HG12 . . 3.980 2.428 2.428 2.428 . 0 0 "[ ]" 1
1105 1 54 ILE HA 1 54 ILE HG13 . . 3.980 2.399 2.399 2.399 . 0 0 "[ ]" 1
1106 1 54 ILE HA 1 54 ILE QG . . 3.540 2.150 2.150 2.150 . 0 0 "[ ]" 1
1107 1 54 ILE HB 1 55 ALA H . . 3.920 2.938 2.938 2.938 . 0 0 "[ ]" 1
1108 1 54 ILE MG 1 55 ALA H . . 5.440 2.067 2.067 2.067 . 0 0 "[ ]" 1
1109 1 54 ILE MG 1 55 ALA HA . . 6.120 3.824 3.824 3.824 . 0 0 "[ ]" 1
1110 1 54 ILE QG 1 55 ALA H . . 6.190 4.306 4.306 4.306 . 0 0 "[ ]" 1
1111 1 55 ALA H 1 56 LYS H . . 4.880 4.619 4.619 4.619 . 0 0 "[ ]" 1
1112 1 55 ALA H 1 56 LYS HA . . 5.500 5.238 5.238 5.238 . 0 0 "[ ]" 1
1113 1 55 ALA H 1 56 LYS QG . . 6.380 4.783 4.783 4.783 . 0 0 "[ ]" 1
1114 1 55 ALA HA 1 56 LYS H . . 2.960 2.475 2.475 2.475 . 0 0 "[ ]" 1
1115 1 55 ALA MB 1 56 LYS H . . 4.050 2.575 2.575 2.575 . 0 0 "[ ]" 1
1116 1 55 ALA MB 1 56 LYS HA . . 6.120 3.862 3.862 3.862 . 0 0 "[ ]" 1
1117 1 55 ALA MB 1 59 GLU H . . 6.530 4.720 4.720 4.720 . 0 0 "[ ]" 1
1118 1 55 ALA MB 1 59 GLU HB2 . . 6.530 3.761 3.761 3.761 . 0 0 "[ ]" 1
1119 1 55 ALA MB 1 59 GLU HB3 . . 4.850 2.281 2.281 2.281 . 0 0 "[ ]" 1
1120 1 55 ALA MB 1 59 GLU QG . . 5.330 2.419 2.419 2.419 . 0 0 "[ ]" 1
1121 1 55 ALA MB 1 60 ALA H . . 5.260 3.166 3.166 3.166 . 0 0 "[ ]" 1
1122 1 55 ALA MB 1 60 ALA HA . . 4.170 2.369 2.369 2.369 . 0 0 "[ ]" 1
1123 1 55 ALA MB 1 60 ALA MB . . 6.010 2.475 2.475 2.475 . 0 0 "[ ]" 1
1124 1 56 LYS H 1 56 LYS HG2 . . 5.500 4.328 4.328 4.328 . 0 0 "[ ]" 1
1125 1 56 LYS H 1 56 LYS HG3 . . 5.500 3.827 3.827 3.827 . 0 0 "[ ]" 1
1126 1 56 LYS H 1 57 GLY H . . 5.500 4.463 4.463 4.463 . 0 0 "[ ]" 1
1127 1 56 LYS H 1 59 GLU HB2 . . 5.500 3.318 3.318 3.318 . 0 0 "[ ]" 1
1128 1 56 LYS H 1 59 GLU HB3 . . 4.320 2.175 2.175 2.175 . 0 0 "[ ]" 1
1129 1 56 LYS H 1 59 GLU QG . . 6.380 3.848 3.848 3.848 . 0 0 "[ ]" 1
1130 1 56 LYS H 1 60 ALA H . . 4.540 3.339 3.339 3.339 . 0 0 "[ ]" 1
1131 1 56 LYS H 1 60 ALA MB . . 5.380 3.400 3.400 3.400 . 0 0 "[ ]" 1
1132 1 56 LYS HA 1 56 LYS HD2 . . 5.500 4.593 4.593 4.593 . 0 0 "[ ]" 1
1133 1 56 LYS HA 1 56 LYS HD3 . . 5.500 4.001 4.001 4.001 . 0 0 "[ ]" 1
1134 1 56 LYS HA 1 57 GLY H . . 3.270 2.367 2.367 2.367 . 0 0 "[ ]" 1
1135 1 56 LYS HA 1 57 GLY HA2 . . 5.500 4.510 4.510 4.510 . 0 0 "[ ]" 1
1136 1 56 LYS HA 1 57 GLY HA3 . . 5.500 4.587 4.587 4.587 . 0 0 "[ ]" 1
1137 1 56 LYS HA 1 60 ALA H . . 5.070 3.587 3.587 3.587 . 0 0 "[ ]" 1
1138 1 56 LYS HA 1 60 ALA MB . . 3.990 2.319 2.319 2.319 . 0 0 "[ ]" 1
1139 1 56 LYS HB2 1 57 GLY H . . 4.040 3.825 3.825 3.825 . 0 0 "[ ]" 1
1140 1 56 LYS HB2 1 57 GLY HA2 . . 7.250 5.557 5.557 5.557 . 0 0 "[ ]" 1
1141 1 56 LYS HB2 1 57 GLY HA3 . . 7.250 4.744 4.744 4.744 . 0 0 "[ ]" 1
1142 1 56 LYS HB3 1 57 GLY H . . 4.040 2.445 2.445 2.445 . 0 0 "[ ]" 1
1143 1 56 LYS HB3 1 57 GLY HA2 . . 7.250 4.270 4.270 4.270 . 0 0 "[ ]" 1
1144 1 56 LYS HB3 1 57 GLY HA3 . . 7.250 3.881 3.881 3.881 . 0 0 "[ ]" 1
1145 1 56 LYS QB 1 57 GLY H . . 3.690 2.418 2.418 2.418 . 0 0 "[ ]" 1
1146 1 56 LYS QB 1 57 GLY QA . . 6.320 3.464 3.464 3.464 . 0 0 "[ ]" 1
1147 1 56 LYS HG2 1 57 GLY H . . 5.500 3.702 3.702 3.702 . 0 0 "[ ]" 1
1148 1 56 LYS HG3 1 57 GLY H . . 5.500 4.821 4.821 4.821 . 0 0 "[ ]" 1
1149 1 56 LYS QD 1 57 GLY H . . 6.380 3.906 3.906 3.906 . 0 0 "[ ]" 1
1150 1 57 GLY H 1 60 ALA H . . 5.500 3.999 3.999 3.999 . 0 0 "[ ]" 1
1151 1 57 GLY H 1 60 ALA MB . . 5.190 3.149 3.149 3.149 . 0 0 "[ ]" 1
1152 1 57 GLY HA2 1 59 GLU H . . 5.500 4.518 4.518 4.518 . 0 0 "[ ]" 1
1153 1 57 GLY HA2 1 60 ALA H . . 5.500 4.563 4.563 4.563 . 0 0 "[ ]" 1
1154 1 57 GLY HA3 1 59 GLU H . . 5.500 3.524 3.524 3.524 . 0 0 "[ ]" 1
1155 1 57 GLY HA3 1 60 ALA H . . 5.500 4.361 4.361 4.361 . 0 0 "[ ]" 1
1156 1 58 ALA H 1 59 GLU H . . 4.170 2.888 2.888 2.888 . 0 0 "[ ]" 1
1157 1 58 ALA H 1 60 ALA H . . 5.500 4.614 4.614 4.614 . 0 0 "[ ]" 1
1158 1 58 ALA H 1 61 GLU H . . 5.500 4.711 4.711 4.711 . 0 0 "[ ]" 1
1159 1 58 ALA HA 1 60 ALA H . . 5.500 4.531 4.531 4.531 . 0 0 "[ ]" 1
1160 1 58 ALA HA 1 61 GLU H . . 4.110 3.361 3.361 3.361 . 0 0 "[ ]" 1
1161 1 58 ALA HA 1 61 GLU HB2 . . 3.520 2.161 2.161 2.161 . 0 0 "[ ]" 1
1162 1 58 ALA HA 1 61 GLU HB3 . . 3.730 3.756 3.756 3.756 0.026 1 0 "[ ]" 1
1163 1 58 ALA HA 1 61 GLU HG2 . . 5.500 4.624 4.624 4.624 . 0 0 "[ ]" 1
1164 1 58 ALA HA 1 61 GLU HG3 . . 5.340 3.603 3.603 3.603 . 0 0 "[ ]" 1
1165 1 58 ALA MB 1 59 GLU H . . 4.420 2.810 2.810 2.810 . 0 0 "[ ]" 1
1166 1 58 ALA MB 1 59 GLU HB2 . . 6.000 4.224 4.224 4.224 . 0 0 "[ ]" 1
1167 1 58 ALA MB 1 60 ALA H . . 6.530 4.816 4.816 4.816 . 0 0 "[ ]" 1
1168 1 59 GLU H 1 59 GLU HB2 . . 3.830 2.123 2.123 2.123 . 0 0 "[ ]" 1
1169 1 59 GLU H 1 59 GLU HB3 . . 3.450 2.851 2.851 2.851 . 0 0 "[ ]" 1
1170 1 59 GLU H 1 59 GLU HG2 . . 5.500 4.458 4.458 4.458 . 0 0 "[ ]" 1
1171 1 59 GLU H 1 59 GLU HG3 . . 5.500 4.064 4.064 4.064 . 0 0 "[ ]" 1
1172 1 59 GLU H 1 59 GLU QG . . 4.870 3.768 3.768 3.768 . 0 0 "[ ]" 1
1173 1 59 GLU H 1 60 ALA H . . 3.420 2.727 2.727 2.727 . 0 0 "[ ]" 1
1174 1 59 GLU H 1 60 ALA MB . . 6.030 4.393 4.393 4.393 . 0 0 "[ ]" 1
1175 1 59 GLU H 1 61 GLU H . . 5.500 4.088 4.088 4.088 . 0 0 "[ ]" 1
1176 1 59 GLU HA 1 59 GLU HG2 . . 4.170 2.715 2.715 2.715 . 0 0 "[ ]" 1
1177 1 59 GLU HA 1 59 GLU HG3 . . 4.170 2.562 2.562 2.562 . 0 0 "[ ]" 1
1178 1 59 GLU HA 1 61 GLU H . . 5.500 4.863 4.863 4.863 . 0 0 "[ ]" 1
1179 1 59 GLU HA 1 62 ALA H . . 4.790 4.063 4.063 4.063 . 0 0 "[ ]" 1
1180 1 59 GLU HA 1 62 ALA MB . . 4.640 3.219 3.219 3.219 . 0 0 "[ ]" 1
1181 1 59 GLU HA 1 63 VAL H . . 5.340 4.282 4.282 4.282 . 0 0 "[ ]" 1
1182 1 59 GLU HB2 1 59 GLU QG . . 2.740 2.295 2.295 2.295 . 0 0 "[ ]" 1
1183 1 59 GLU HB2 1 60 ALA H . . 4.760 3.345 3.345 3.345 . 0 0 "[ ]" 1
1184 1 59 GLU HB3 1 59 GLU QG . . 2.740 2.367 2.367 2.367 . 0 0 "[ ]" 1
1185 1 59 GLU HB3 1 60 ALA H . . 3.760 2.273 2.273 2.273 . 0 0 "[ ]" 1
1186 1 59 GLU HB3 1 60 ALA HA . . 5.500 3.995 3.995 3.995 . 0 0 "[ ]" 1
1187 1 59 GLU HG2 1 60 ALA H . . 5.500 4.190 4.190 4.190 . 0 0 "[ ]" 1
1188 1 59 GLU HG2 1 63 VAL MG2 . . 5.690 3.601 3.601 3.601 . 0 0 "[ ]" 1
1189 1 59 GLU HG3 1 60 ALA H . . 5.500 4.881 4.881 4.881 . 0 0 "[ ]" 1
1190 1 59 GLU HG3 1 63 VAL MG2 . . 5.690 4.741 4.741 4.741 . 0 0 "[ ]" 1
1191 1 59 GLU QG 1 60 ALA H . . 5.110 3.962 3.962 3.962 . 0 0 "[ ]" 1
1192 1 59 GLU QG 1 63 VAL MG2 . . 5.510 3.497 3.497 3.497 . 0 0 "[ ]" 1
1193 1 60 ALA H 1 61 GLU H . . 3.550 2.682 2.682 2.682 . 0 0 "[ ]" 1
1194 1 60 ALA H 1 62 ALA H . . 5.500 4.335 4.335 4.335 . 0 0 "[ ]" 1
1195 1 60 ALA HA 1 63 VAL H . . 4.720 3.675 3.675 3.675 . 0 0 "[ ]" 1
1196 1 60 ALA HA 1 63 VAL HB . . 3.830 2.778 2.778 2.778 . 0 0 "[ ]" 1
1197 1 60 ALA HA 1 63 VAL MG1 . . 6.530 4.131 4.131 4.131 . 0 0 "[ ]" 1
1198 1 60 ALA MB 1 61 GLU H . . 4.080 2.436 2.436 2.436 . 0 0 "[ ]" 1
1199 1 60 ALA MB 1 61 GLU HA . . 6.470 3.861 3.861 3.861 . 0 0 "[ ]" 1
1200 1 60 ALA MB 1 61 GLU HG2 . . 6.530 4.349 4.349 4.349 . 0 0 "[ ]" 1
1201 1 60 ALA MB 1 61 GLU HG3 . . 5.720 3.164 3.164 3.164 . 0 0 "[ ]" 1
1202 1 60 ALA MB 1 63 VAL H . . 6.530 4.786 4.786 4.786 . 0 0 "[ ]" 1
1203 1 61 GLU H 1 61 GLU HB2 . . 3.580 2.458 2.458 2.458 . 0 0 "[ ]" 1
1204 1 61 GLU H 1 61 GLU HB3 . . 3.730 3.574 3.574 3.574 . 0 0 "[ ]" 1
1205 1 61 GLU H 1 61 GLU HG2 . . 4.010 3.459 3.459 3.459 . 0 0 "[ ]" 1
1206 1 61 GLU H 1 61 GLU HG3 . . 3.420 2.133 2.133 2.133 . 0 0 "[ ]" 1
1207 1 61 GLU H 1 62 ALA H . . 4.110 2.905 2.905 2.905 . 0 0 "[ ]" 1
1208 1 61 GLU HA 1 61 GLU HG2 . . 3.730 2.580 2.580 2.580 . 0 0 "[ ]" 1
1209 1 61 GLU HA 1 61 GLU HG3 . . 4.140 2.944 2.944 2.944 . 0 0 "[ ]" 1
1210 1 61 GLU HA 1 64 ALA H . . 4.820 3.782 3.782 3.782 . 0 0 "[ ]" 1
1211 1 61 GLU HB2 1 62 ALA H . . 4.110 2.484 2.484 2.484 . 0 0 "[ ]" 1
1212 1 61 GLU HB3 1 62 ALA H . . 4.350 3.491 3.491 3.491 . 0 0 "[ ]" 1
1213 1 61 GLU HG3 1 62 ALA H . . 5.500 4.402 4.402 4.402 . 0 0 "[ ]" 1
1214 1 62 ALA H 1 63 VAL H . . 5.500 2.813 2.813 2.813 . 0 0 "[ ]" 1
1215 1 62 ALA HA 1 65 ALA H . . 4.480 3.695 3.695 3.695 . 0 0 "[ ]" 1
1216 1 62 ALA HA 1 65 ALA MB . . 4.360 2.750 2.750 2.750 . 0 0 "[ ]" 1
1217 1 62 ALA MB 1 63 VAL MG2 . . 7.150 3.181 3.181 3.181 . 0 0 "[ ]" 1
1218 1 63 VAL H 1 63 VAL HB . . 3.330 2.468 2.468 2.468 . 0 0 "[ ]" 1
1219 1 63 VAL H 1 63 VAL MG2 . . 3.950 2.242 2.242 2.242 . 0 0 "[ ]" 1
1220 1 63 VAL H 1 64 ALA H . . 3.830 2.913 2.913 2.913 . 0 0 "[ ]" 1
1221 1 63 VAL HA 1 66 TRP H . . 4.200 3.663 3.663 3.663 . 0 0 "[ ]" 1
1222 1 63 VAL HA 1 66 TRP HE3 . . 5.500 3.088 3.088 3.088 . 0 0 "[ ]" 1
1223 1 63 VAL HA 1 67 LEU H . . 4.540 3.771 3.771 3.771 . 0 0 "[ ]" 1
1224 1 63 VAL HB 1 64 ALA H . . 3.550 2.453 2.453 2.453 . 0 0 "[ ]" 1
1225 1 63 VAL MG1 1 64 ALA H . . 5.500 3.038 3.038 3.038 . 0 0 "[ ]" 1
1226 1 63 VAL MG1 1 64 ALA HA . . 5.630 3.319 3.319 3.319 . 0 0 "[ ]" 1
1227 1 63 VAL MG1 1 66 TRP HE3 . . 5.540 2.896 2.896 2.896 . 0 0 "[ ]" 1
1228 1 63 VAL MG1 1 66 TRP HZ3 . . 6.530 3.600 3.600 3.600 . 0 0 "[ ]" 1
1229 1 63 VAL MG1 1 67 LEU H . . 6.250 3.837 3.837 3.837 . 0 0 "[ ]" 1
1230 1 63 VAL MG1 1 67 LEU HB2 . . 5.940 3.784 3.784 3.784 . 0 0 "[ ]" 1
1231 1 63 VAL MG1 1 67 LEU QD . . 9.130 2.682 2.682 2.682 . 0 0 "[ ]" 1
1232 1 63 VAL MG2 1 64 ALA H . . 5.910 3.895 3.895 3.895 . 0 0 "[ ]" 1
1233 1 64 ALA H 1 65 ALA H . . 3.860 3.019 3.019 3.019 . 0 0 "[ ]" 1
1234 1 64 ALA H 1 66 TRP H . . 5.500 4.473 4.473 4.473 . 0 0 "[ ]" 1
1235 1 64 ALA HA 1 66 TRP H . . 5.500 4.758 4.758 4.758 . 0 0 "[ ]" 1
1236 1 64 ALA HA 1 67 LEU H . . 4.600 3.782 3.782 3.782 . 0 0 "[ ]" 1
1237 1 64 ALA HA 1 67 LEU HB2 . . 4.290 2.819 2.819 2.819 . 0 0 "[ ]" 1
1238 1 64 ALA HA 1 67 LEU HB3 . . 4.690 4.462 4.462 4.462 . 0 0 "[ ]" 1
1239 1 64 ALA HA 1 67 LEU QD . . 7.380 3.641 3.641 3.641 . 0 0 "[ ]" 1
1240 1 64 ALA HA 1 68 ALA H . . 5.160 4.065 4.065 4.065 . 0 0 "[ ]" 1
1241 1 64 ALA MB 1 65 ALA H . . 4.300 2.374 2.374 2.374 . 0 0 "[ ]" 1
1242 1 65 ALA H 1 65 ALA MB . . 3.610 2.225 2.225 2.225 . 0 0 "[ ]" 1
1243 1 65 ALA H 1 66 TRP H . . 5.500 2.785 2.785 2.785 . 0 0 "[ ]" 1
1244 1 65 ALA H 1 66 TRP HB2 . . 5.500 5.096 5.096 5.096 . 0 0 "[ ]" 1
1245 1 65 ALA H 1 66 TRP HB3 . . 5.500 4.685 4.685 4.685 . 0 0 "[ ]" 1
1246 1 65 ALA H 1 67 LEU H . . 5.310 4.287 4.287 4.287 . 0 0 "[ ]" 1
1247 1 65 ALA HA 1 68 ALA H . . 4.600 3.330 3.330 3.330 . 0 0 "[ ]" 1
1248 1 65 ALA MB 1 66 TRP H . . 4.260 2.402 2.402 2.402 . 0 0 "[ ]" 1
1249 1 65 ALA MB 1 66 TRP HB2 . . 6.280 3.899 3.899 3.899 . 0 0 "[ ]" 1
1250 1 65 ALA MB 1 66 TRP HB3 . . 6.280 4.343 4.343 4.343 . 0 0 "[ ]" 1
1251 1 65 ALA MB 1 66 TRP QB . . 6.140 3.635 3.635 3.635 . 0 0 "[ ]" 1
1252 1 66 TRP H 1 66 TRP HB2 . . 3.520 2.442 2.442 2.442 . 0 0 "[ ]" 1
1253 1 66 TRP H 1 66 TRP HB3 . . 3.520 2.294 2.294 2.294 . 0 0 "[ ]" 1
1254 1 66 TRP H 1 66 TRP HD1 . . 5.500 4.917 4.917 4.917 . 0 0 "[ ]" 1
1255 1 66 TRP H 1 66 TRP HE3 . . 5.500 4.511 4.511 4.511 . 0 0 "[ ]" 1
1256 1 66 TRP H 1 67 LEU H . . 3.730 2.779 2.779 2.779 . 0 0 "[ ]" 1
1257 1 66 TRP H 1 68 ALA H . . 5.500 4.031 4.031 4.031 . 0 0 "[ ]" 1
1258 1 66 TRP HA 1 66 TRP HD1 . . 4.540 3.075 3.075 3.075 . 0 0 "[ ]" 1
1259 1 66 TRP HA 1 66 TRP HE3 . . 5.500 4.852 4.852 4.852 . 0 0 "[ ]" 1
1260 1 66 TRP HA 1 66 TRP HE1 . . 5.500 5.299 5.299 5.299 . 0 0 "[ ]" 1
1261 1 66 TRP HA 1 68 ALA H . . 5.500 4.404 4.404 4.404 . 0 0 "[ ]" 1
1262 1 66 TRP HB2 1 67 LEU H . . 3.980 3.846 3.846 3.846 . 0 0 "[ ]" 1
1263 1 66 TRP HB3 1 67 LEU H . . 3.980 2.456 2.456 2.456 . 0 0 "[ ]" 1
1264 1 66 TRP QB 1 66 TRP HZ3 . . 5.920 4.738 4.738 4.738 . 0 0 "[ ]" 1
1265 1 66 TRP QB 1 67 LEU HA . . 6.380 4.419 4.419 4.419 . 0 0 "[ ]" 1
1266 1 66 TRP HD1 1 67 LEU H . . 5.500 5.564 5.564 5.564 0.064 1 0 "[ ]" 1
1267 1 66 TRP HE3 1 67 LEU H . . 4.690 2.940 2.940 2.940 . 0 0 "[ ]" 1
1268 1 66 TRP HE3 1 67 LEU HA . . 4.970 3.808 3.808 3.808 . 0 0 "[ ]" 1
1269 1 66 TRP HE3 1 67 LEU HB2 . . 5.040 4.348 4.348 4.348 . 0 0 "[ ]" 1
1270 1 66 TRP HE3 1 67 LEU HB3 . . 5.500 4.940 4.940 4.940 . 0 0 "[ ]" 1
1271 1 66 TRP HE3 1 67 LEU HG . . 3.760 2.430 2.430 2.430 . 0 0 "[ ]" 1
1272 1 66 TRP HE3 1 67 LEU MD1 . . 5.600 3.909 3.909 3.909 . 0 0 "[ ]" 1
1273 1 66 TRP HE3 1 67 LEU MD2 . . 5.600 2.413 2.413 2.413 . 0 0 "[ ]" 1
1274 1 66 TRP HE3 1 67 LEU QD . . 5.000 2.391 2.391 2.391 . 0 0 "[ ]" 1
1275 1 66 TRP HE3 1 70 LYS QD . . 6.380 3.843 3.843 3.843 . 0 0 "[ ]" 1
1276 1 66 TRP HE1 1 70 LYS QG . . 6.380 4.720 4.720 4.720 . 0 0 "[ ]" 1
1277 1 66 TRP HE1 1 70 LYS QD . . 6.380 4.217 4.217 4.217 . 0 0 "[ ]" 1
1278 1 66 TRP HZ3 1 67 LEU HA . . 5.500 4.804 4.804 4.804 . 0 0 "[ ]" 1
1279 1 66 TRP HZ3 1 67 LEU MD1 . . 5.130 3.642 3.642 3.642 . 0 0 "[ ]" 1
1280 1 66 TRP HZ3 1 67 LEU MD2 . . 5.130 2.100 2.100 2.100 . 0 0 "[ ]" 1
1281 1 66 TRP HZ3 1 67 LEU QD . . 4.630 2.087 2.087 2.087 . 0 0 "[ ]" 1
1282 1 66 TRP HZ3 1 70 LYS QD . . 6.380 3.388 3.388 3.388 . 0 0 "[ ]" 1
1283 1 66 TRP HZ3 1 70 LYS QE . . 6.380 4.598 4.598 4.598 . 0 0 "[ ]" 1
1284 1 66 TRP HZ2 1 70 LYS QD . . 6.380 3.227 3.227 3.227 . 0 0 "[ ]" 1
1285 1 66 TRP HZ2 1 70 LYS QE . . 6.380 3.613 3.613 3.613 . 0 0 "[ ]" 1
1286 1 66 TRP HH2 1 67 LEU MD1 . . 6.530 5.538 5.538 5.538 . 0 0 "[ ]" 1
1287 1 66 TRP HH2 1 67 LEU MD2 . . 6.530 3.663 3.663 3.663 . 0 0 "[ ]" 1
1288 1 66 TRP HH2 1 70 LYS QD . . 6.380 3.204 3.204 3.204 . 0 0 "[ ]" 1
1289 1 66 TRP HH2 1 70 LYS QE . . 6.190 3.421 3.421 3.421 . 0 0 "[ ]" 1
1290 1 67 LEU H 1 67 LEU HB2 . . 3.420 2.499 2.499 2.499 . 0 0 "[ ]" 1
1291 1 67 LEU H 1 67 LEU HB3 . . 3.890 3.652 3.652 3.652 . 0 0 "[ ]" 1
1292 1 67 LEU H 1 67 LEU HG . . 4.170 2.669 2.669 2.669 . 0 0 "[ ]" 1
1293 1 67 LEU H 1 68 ALA H . . 3.760 2.802 2.802 2.802 . 0 0 "[ ]" 1
1294 1 67 LEU H 1 68 ALA MB . . 5.970 4.386 4.386 4.386 . 0 0 "[ ]" 1
1295 1 67 LEU H 1 69 GLU H . . 5.500 4.220 4.220 4.220 . 0 0 "[ ]" 1
1296 1 67 LEU HA 1 67 LEU MD1 . . 4.730 3.590 3.590 3.590 . 0 0 "[ ]" 1
1297 1 67 LEU HA 1 67 LEU MD2 . . 4.730 2.056 2.056 2.056 . 0 0 "[ ]" 1
1298 1 67 LEU HA 1 67 LEU QD . . 4.140 2.044 2.044 2.044 . 0 0 "[ ]" 1
1299 1 67 LEU HA 1 69 GLU H . . 5.190 4.070 4.070 4.070 . 0 0 "[ ]" 1
1300 1 67 LEU HA 1 70 LYS H . . 4.480 2.556 2.556 2.556 . 0 0 "[ ]" 1
1301 1 67 LEU HA 1 70 LYS HB2 . . 4.820 2.255 2.255 2.255 . 0 0 "[ ]" 1
1302 1 67 LEU HA 1 70 LYS HB3 . . 4.820 3.939 3.939 3.939 . 0 0 "[ ]" 1
1303 1 67 LEU HA 1 70 LYS QB . . 4.660 2.242 2.242 2.242 . 0 0 "[ ]" 1
1304 1 67 LEU HA 1 70 LYS HG2 . . 4.350 4.275 4.275 4.275 . 0 0 "[ ]" 1
1305 1 67 LEU HA 1 70 LYS HG3 . . 4.350 2.705 2.705 2.705 . 0 0 "[ ]" 1
1306 1 67 LEU HA 1 70 LYS QG . . 4.090 2.677 2.677 2.677 . 0 0 "[ ]" 1
1307 1 67 LEU HA 1 70 LYS QD . . 6.380 3.215 3.215 3.215 . 0 0 "[ ]" 1
1308 1 67 LEU HA 1 70 LYS QE . . 6.380 5.192 5.192 5.192 . 0 0 "[ ]" 1
1309 1 67 LEU HB2 1 68 ALA H . . 4.260 2.922 2.922 2.922 . 0 0 "[ ]" 1
1310 1 67 LEU HB3 1 68 ALA H . . 4.380 3.710 3.710 3.710 . 0 0 "[ ]" 1
1311 1 67 LEU MD1 1 70 LYS H . . 6.530 5.546 5.546 5.546 . 0 0 "[ ]" 1
1312 1 67 LEU MD1 1 70 LYS HB2 . . 6.530 4.406 4.406 4.406 . 0 0 "[ ]" 1
1313 1 67 LEU MD1 1 70 LYS HB3 . . 6.530 5.476 5.476 5.476 . 0 0 "[ ]" 1
1314 1 67 LEU MD2 1 70 LYS H . . 6.530 3.996 3.996 3.996 . 0 0 "[ ]" 1
1315 1 67 LEU MD2 1 70 LYS HB2 . . 6.530 2.653 2.653 2.653 . 0 0 "[ ]" 1
1316 1 67 LEU MD2 1 70 LYS HB3 . . 6.530 3.619 3.619 3.619 . 0 0 "[ ]" 1
1317 1 67 LEU QD 1 68 ALA H . . 8.100 4.302 4.302 4.302 . 0 0 "[ ]" 1
1318 1 67 LEU QD 1 70 LYS QB . . 6.240 2.568 2.568 2.568 . 0 0 "[ ]" 1
1319 1 67 LEU QD 1 70 LYS QG . . 7.580 2.995 2.995 2.995 . 0 0 "[ ]" 1
1320 1 67 LEU QD 1 70 LYS QD . . 8.790 2.154 2.154 2.154 . 0 0 "[ ]" 1
1321 1 67 LEU QD 1 70 LYS QE . . 8.980 3.786 3.786 3.786 . 0 0 "[ ]" 1
1322 1 68 ALA H 1 69 GLU H . . 4.010 2.762 2.762 2.762 . 0 0 "[ ]" 1
1323 1 68 ALA H 1 70 LYS H . . 5.500 3.999 3.999 3.999 . 0 0 "[ ]" 1
1324 1 68 ALA HA 1 70 LYS H . . 5.280 4.254 4.254 4.254 . 0 0 "[ ]" 1
1325 1 68 ALA MB 1 69 GLU HA . . 4.980 3.906 3.906 3.906 . 0 0 "[ ]" 1
1326 1 68 ALA MB 1 69 GLU QG . . 6.820 4.024 4.024 4.024 . 0 0 "[ ]" 1
1327 1 68 ALA MB 1 70 LYS H . . 6.530 4.538 4.538 4.538 . 0 0 "[ ]" 1
1328 1 69 GLU H 1 69 GLU HB2 . . 4.140 2.174 2.174 2.174 . 0 0 "[ ]" 1
1329 1 69 GLU H 1 69 GLU HB3 . . 4.140 3.410 3.410 3.410 . 0 0 "[ ]" 1
1330 1 69 GLU H 1 69 GLU QB . . 3.740 2.150 2.150 2.150 . 0 0 "[ ]" 1
1331 1 69 GLU H 1 69 GLU HG2 . . 5.070 4.288 4.288 4.288 . 0 0 "[ ]" 1
1332 1 69 GLU H 1 69 GLU HG3 . . 5.070 3.404 3.404 3.404 . 0 0 "[ ]" 1
1333 1 69 GLU H 1 69 GLU QG . . 4.930 3.279 3.279 3.279 . 0 0 "[ ]" 1
1334 1 69 GLU H 1 70 LYS H . . 3.580 2.782 2.782 2.782 . 0 0 "[ ]" 1
1335 1 69 GLU HA 1 71 LYS QE . . 5.200 2.794 2.794 2.794 . 0 0 "[ ]" 1
1336 1 69 GLU HB2 1 70 LYS H . . 5.380 3.444 3.444 3.444 . 0 0 "[ ]" 1
1337 1 69 GLU HB3 1 70 LYS H . . 5.380 3.431 3.431 3.431 . 0 0 "[ ]" 1
1338 1 70 LYS H 1 70 LYS HB2 . . 3.790 2.441 2.441 2.441 . 0 0 "[ ]" 1
1339 1 70 LYS H 1 70 LYS HB3 . . 3.790 3.598 3.598 3.598 . 0 0 "[ ]" 1
1340 1 70 LYS H 1 70 LYS QB . . 3.610 2.403 2.403 2.403 . 0 0 "[ ]" 1
1341 1 70 LYS H 1 70 LYS HG2 . . 4.600 3.472 3.472 3.472 . 0 0 "[ ]" 1
1342 1 70 LYS H 1 70 LYS HG3 . . 4.600 2.536 2.536 2.536 . 0 0 "[ ]" 1
1343 1 70 LYS H 1 70 LYS QG . . 4.440 2.477 2.477 2.477 . 0 0 "[ ]" 1
1344 1 70 LYS HA 1 70 LYS QG . . 3.920 2.281 2.281 2.281 . 0 0 "[ ]" 1
1345 1 70 LYS HB2 1 71 LYS H . . 5.500 4.282 4.282 4.282 . 0 0 "[ ]" 1
1346 1 70 LYS HB3 1 71 LYS H . . 5.500 3.225 3.225 3.225 . 0 0 "[ ]" 1
1347 1 70 LYS QB 1 71 LYS H . . 5.070 3.136 3.136 3.136 . 0 0 "[ ]" 1
1348 1 71 LYS H 1 71 LYS QB . . 3.920 2.782 2.782 2.782 . 0 0 "[ ]" 1
1349 1 71 LYS H 1 71 LYS HG2 . . 4.600 4.203 4.203 4.203 . 0 0 "[ ]" 1
1350 1 71 LYS H 1 71 LYS HG3 . . 4.600 3.231 3.231 3.231 . 0 0 "[ ]" 1
1351 1 71 LYS HA 1 71 LYS HG2 . . 3.980 2.664 2.664 2.664 . 0 0 "[ ]" 1
1352 1 71 LYS HA 1 71 LYS HG3 . . 3.980 3.161 3.161 3.161 . 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 10
_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 .
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 11 CYS 0.000 0.000 . 0 "[ ]"
1 14 CYS 0.000 0.000 . 0 "[ ]"
1 15 HIS 0.000 0.000 . 0 "[ ]"
1 25 PRO 0.000 0.000 . 0 "[ ]"
1 46 GLY 0.000 0.000 . 0 "[ ]"
1 47 GLN 0.000 0.000 . 0 "[ ]"
1 50 MET 0.000 0.000 . 0 "[ ]"
1 51 PRO 0.000 0.000 . 0 "[ ]"
1 54 ILE 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 14 CYS HB2 1 15 HIS HD2 . . 5.500 3.471 3.471 3.471 . 0 0 "[ ]" 2
2 1 11 CYS HB3 1 15 HIS HD2 . . 3.000 2.725 2.725 2.725 . 0 0 "[ ]" 2
3 1 15 HIS HE1 1 25 PRO HD3 . . 5.500 4.661 4.661 4.661 . 0 0 "[ ]" 2
4 1 47 GLN HB3 1 50 MET HB3 . . 5.500 3.105 3.105 3.105 . 0 0 "[ ]" 2
5 1 46 GLY HA2 1 50 MET HB3 . . 5.500 3.563 3.563 3.563 . 0 0 "[ ]" 2
6 1 50 MET HA 1 50 MET HG3 . . 3.000 2.423 2.423 2.423 . 0 0 "[ ]" 2
7 1 46 GLY HA2 1 50 MET HG3 . . 5.500 4.500 4.500 4.500 . 0 0 "[ ]" 2
8 1 50 MET HG3 1 51 PRO HD3 . . 5.500 3.922 3.922 3.922 . 0 0 "[ ]" 2
9 1 50 MET HG3 1 51 PRO HD2 . . 3.000 2.609 2.609 2.609 . 0 0 "[ ]" 2
10 1 50 MET HG3 1 54 ILE MD . . 6.500 2.593 2.593 2.593 . 0 0 "[ ]" 2
stop_
save_
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