NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
601025 |
2rvm   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rvm
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 681
_Distance_constraint_stats_list.Viol_count 363
_Distance_constraint_stats_list.Viol_total 174.163
_Distance_constraint_stats_list.Viol_max 0.255
_Distance_constraint_stats_list.Viol_rms 0.0061
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0240
_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 3 HIS 0.042 0.019 8 0 "[ . 1 . 2]"
1 4 MET 0.060 0.054 17 0 "[ . 1 . 2]"
1 5 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 LYS 0.625 0.255 14 0 "[ . 1 . 2]"
1 7 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LYS 0.073 0.073 14 0 "[ . 1 . 2]"
1 10 ARG 0.073 0.073 14 0 "[ . 1 . 2]"
1 11 THR 0.061 0.012 5 0 "[ . 1 . 2]"
1 12 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLU 0.000 0.000 4 0 "[ . 1 . 2]"
1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLU 0.088 0.088 13 0 "[ . 1 . 2]"
1 21 GLU 0.088 0.088 13 0 "[ . 1 . 2]"
1 22 GLU 0.092 0.016 8 0 "[ . 1 . 2]"
1 23 TYR 0.241 0.020 3 0 "[ . 1 . 2]"
1 24 VAL 0.101 0.040 17 0 "[ . 1 . 2]"
1 25 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLU 0.590 0.060 20 0 "[ . 1 . 2]"
1 27 LYS 0.003 0.003 19 0 "[ . 1 . 2]"
1 28 VAL 1.214 0.061 5 0 "[ . 1 . 2]"
1 29 LEU 0.429 0.132 4 0 "[ . 1 . 2]"
1 30 ASP 0.088 0.026 20 0 "[ . 1 . 2]"
1 31 ARG 0.001 0.001 5 0 "[ . 1 . 2]"
1 32 ARG 0.264 0.048 19 0 "[ . 1 . 2]"
1 33 MET 0.068 0.034 3 0 "[ . 1 . 2]"
1 34 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 VAL 0.041 0.015 9 0 "[ . 1 . 2]"
1 39 GLU 0.116 0.040 18 0 "[ . 1 . 2]"
1 40 TYR 0.157 0.037 4 0 "[ . 1 . 2]"
1 41 LEU 0.474 0.043 17 0 "[ . 1 . 2]"
1 42 LEU 0.910 0.180 12 0 "[ . 1 . 2]"
1 43 LYS 1.656 0.182 12 0 "[ . 1 . 2]"
1 44 TRP 1.034 0.091 20 0 "[ . 1 . 2]"
1 45 LYS 0.281 0.040 17 0 "[ . 1 . 2]"
1 46 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 PHE 0.041 0.012 14 0 "[ . 1 . 2]"
1 48 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLU 0.100 0.070 16 0 "[ . 1 . 2]"
1 50 GLU 0.344 0.056 14 0 "[ . 1 . 2]"
1 51 HIS 0.008 0.004 5 0 "[ . 1 . 2]"
1 52 ASN 0.147 0.070 16 0 "[ . 1 . 2]"
1 53 THR 0.311 0.041 13 0 "[ . 1 . 2]"
1 54 TRP 0.438 0.043 17 0 "[ . 1 . 2]"
1 55 GLU 0.015 0.013 19 0 "[ . 1 . 2]"
1 56 PRO 0.051 0.033 16 0 "[ . 1 . 2]"
1 57 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LYS 0.529 0.152 15 0 "[ . 1 . 2]"
1 59 ASN 0.103 0.095 6 0 "[ . 1 . 2]"
1 60 LEU 0.412 0.084 20 0 "[ . 1 . 2]"
1 61 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 CYS 0.003 0.003 18 0 "[ . 1 . 2]"
1 63 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 LEU 0.131 0.014 8 0 "[ . 1 . 2]"
1 66 ILE 0.589 0.043 8 0 "[ . 1 . 2]"
1 67 SER 0.121 0.014 8 0 "[ . 1 . 2]"
1 68 GLU 0.150 0.018 8 0 "[ . 1 . 2]"
1 69 PHE 1.291 0.060 10 0 "[ . 1 . 2]"
1 70 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LYS 0.002 0.001 8 0 "[ . 1 . 2]"
1 73 TYR 0.108 0.025 5 0 "[ . 1 . 2]"
1 74 LYS 0.034 0.008 7 0 "[ . 1 . 2]"
1 75 LYS 0.413 0.118 11 0 "[ . 1 . 2]"
1 76 MET 0.035 0.012 14 0 "[ . 1 . 2]"
1 77 LYS 0.039 0.025 5 0 "[ . 1 . 2]"
1 78 GLU 0.106 0.075 5 0 "[ . 1 . 2]"
1 79 GLY 0.031 0.031 5 0 "[ . 1 . 2]"
1 80 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 HIS HA 1 3 HIS HD2 . . 4.570 3.601 2.550 4.534 . 0 0 "[ . 1 . 2]" 1
2 1 3 HIS HA 1 6 LYS QD . . 5.250 4.626 3.348 5.224 . 0 0 "[ . 1 . 2]" 1
3 1 3 HIS HA 1 6 LYS QE . . 4.920 3.912 2.389 4.933 0.013 5 0 "[ . 1 . 2]" 1
4 1 3 HIS HA 1 6 LYS QG . . 5.500 4.313 3.060 5.519 0.019 8 0 "[ . 1 . 2]" 1
5 1 3 HIS QB 1 3 HIS HD2 . . 3.420 2.845 2.625 3.033 . 0 0 "[ . 1 . 2]" 1
6 1 4 MET HA 1 4 MET ME . . 4.090 3.870 3.549 4.144 0.054 17 0 "[ . 1 . 2]" 1
7 1 4 MET QB 1 4 MET ME . . 2.400 2.118 1.912 2.363 . 0 0 "[ . 1 . 2]" 1
8 1 4 MET QB 1 5 GLY QA . . 5.050 3.850 3.529 4.191 . 0 0 "[ . 1 . 2]" 1
9 1 5 GLY H 1 6 LYS H . . 4.070 3.122 2.578 3.997 . 0 0 "[ . 1 . 2]" 1
10 1 6 LYS HA 1 6 LYS HD2 . . 3.470 3.015 2.139 3.504 0.034 14 0 "[ . 1 . 2]" 1
11 1 6 LYS HA 1 6 LYS HD3 . . 3.470 2.722 2.143 3.538 0.068 8 0 "[ . 1 . 2]" 1
12 1 6 LYS HA 1 6 LYS QE . . 4.790 4.186 3.671 4.520 . 0 0 "[ . 1 . 2]" 1
13 1 6 LYS HA 1 6 LYS QG . . 3.200 2.516 2.266 2.793 . 0 0 "[ . 1 . 2]" 1
14 1 6 LYS HA 1 7 LYS H . . 3.100 2.204 2.139 2.313 . 0 0 "[ . 1 . 2]" 1
15 1 6 LYS QB 1 6 LYS HD2 . . 3.100 2.594 2.211 3.355 0.255 14 0 "[ . 1 . 2]" 1
16 1 6 LYS QB 1 6 LYS QD . . 2.570 2.195 2.153 2.267 . 0 0 "[ . 1 . 2]" 1
17 1 6 LYS QB 1 6 LYS HD3 . . 3.100 2.641 2.224 3.009 . 0 0 "[ . 1 . 2]" 1
18 1 6 LYS QD 1 6 LYS QG . . 2.390 2.081 2.030 2.092 . 0 0 "[ . 1 . 2]" 1
19 1 6 LYS QE 1 6 LYS QG . . 3.160 2.201 2.099 2.318 . 0 0 "[ . 1 . 2]" 1
20 1 6 LYS QG 1 7 LYS H . . 5.500 3.966 2.056 4.606 . 0 0 "[ . 1 . 2]" 1
21 1 7 LYS H 1 7 LYS QB . . 3.580 2.483 2.175 3.171 . 0 0 "[ . 1 . 2]" 1
22 1 7 LYS H 1 7 LYS QD . . 5.410 3.916 2.186 4.543 . 0 0 "[ . 1 . 2]" 1
23 1 7 LYS H 1 7 LYS HG2 . . 5.500 4.084 2.621 5.098 . 0 0 "[ . 1 . 2]" 1
24 1 7 LYS H 1 7 LYS HG3 . . 5.500 4.290 3.667 5.119 . 0 0 "[ . 1 . 2]" 1
25 1 7 LYS HA 1 7 LYS QD . . 3.230 2.313 2.079 2.966 . 0 0 "[ . 1 . 2]" 1
26 1 7 LYS HA 1 7 LYS QE . . 4.570 3.918 3.583 4.564 . 0 0 "[ . 1 . 2]" 1
27 1 7 LYS HA 1 7 LYS HG2 . . 3.750 3.191 2.270 3.728 . 0 0 "[ . 1 . 2]" 1
28 1 7 LYS HA 1 7 LYS QG . . 3.050 2.521 2.223 2.715 . 0 0 "[ . 1 . 2]" 1
29 1 7 LYS HA 1 7 LYS HG3 . . 3.750 3.041 2.246 3.748 . 0 0 "[ . 1 . 2]" 1
30 1 7 LYS QB 1 8 THR H . . 4.520 3.510 2.700 3.829 . 0 0 "[ . 1 . 2]" 1
31 1 7 LYS QE 1 7 LYS QG . . 3.290 2.247 2.091 2.547 . 0 0 "[ . 1 . 2]" 1
32 1 8 THR H 1 8 THR HB . . 3.830 3.234 2.597 3.826 . 0 0 "[ . 1 . 2]" 1
33 1 8 THR HA 1 8 THR MG . . 3.410 2.544 2.161 3.207 . 0 0 "[ . 1 . 2]" 1
34 1 9 LYS H 1 10 ARG QG . . 4.220 4.010 3.409 4.293 0.073 14 0 "[ . 1 . 2]" 1
35 1 9 LYS HA 1 9 LYS QD . . 4.570 3.233 2.109 4.151 . 0 0 "[ . 1 . 2]" 1
36 1 9 LYS HA 1 9 LYS QE . . 5.170 4.335 3.656 4.841 . 0 0 "[ . 1 . 2]" 1
37 1 9 LYS HA 1 9 LYS HG2 . . 3.680 2.759 2.273 3.671 . 0 0 "[ . 1 . 2]" 1
38 1 9 LYS HA 1 9 LYS QG . . 3.210 2.391 2.211 2.587 . 0 0 "[ . 1 . 2]" 1
39 1 9 LYS HA 1 9 LYS HG3 . . 3.680 2.967 2.249 3.677 . 0 0 "[ . 1 . 2]" 1
40 1 9 LYS HA 1 10 ARG H . . 3.540 2.187 2.141 2.534 . 0 0 "[ . 1 . 2]" 1
41 1 9 LYS QB 1 9 LYS QD . . 3.060 2.237 2.126 2.511 . 0 0 "[ . 1 . 2]" 1
42 1 10 ARG H 1 10 ARG QB . . 3.860 2.681 2.353 3.389 . 0 0 "[ . 1 . 2]" 1
43 1 10 ARG HA 1 10 ARG QD . . 4.620 3.418 2.111 4.418 . 0 0 "[ . 1 . 2]" 1
44 1 11 THR H 1 11 THR MG . . 4.740 2.908 1.925 4.030 . 0 0 "[ . 1 . 2]" 1
45 1 11 THR HA 1 11 THR HB . . 3.000 2.634 2.433 3.012 0.012 5 0 "[ . 1 . 2]" 1
46 1 11 THR HA 1 11 THR MG . . 3.380 2.437 2.168 3.207 . 0 0 "[ . 1 . 2]" 1
47 1 12 ALA H 1 12 ALA MB . . 3.420 2.292 2.132 2.414 . 0 0 "[ . 1 . 2]" 1
48 1 12 ALA MB 1 13 ASP H . . 4.040 2.310 2.248 2.430 . 0 0 "[ . 1 . 2]" 1
49 1 13 ASP H 1 13 ASP QB . . 3.600 2.842 2.204 3.349 . 0 0 "[ . 1 . 2]" 1
50 1 18 GLU H 1 18 GLU QB . . 3.380 2.706 2.261 3.283 . 0 0 "[ . 1 . 2]" 1
51 1 18 GLU H 1 18 GLU QG . . 3.590 2.710 1.968 3.590 0.000 4 0 "[ . 1 . 2]" 1
52 1 18 GLU HA 1 18 GLU QG . . 3.520 2.834 2.213 3.441 . 0 0 "[ . 1 . 2]" 1
53 1 18 GLU HA 1 19 ASP H . . 2.980 2.225 2.166 2.311 . 0 0 "[ . 1 . 2]" 1
54 1 18 GLU QB 1 19 ASP H . . 3.130 2.879 2.608 3.081 . 0 0 "[ . 1 . 2]" 1
55 1 19 ASP H 1 19 ASP HB2 . . 3.720 2.826 2.263 3.706 . 0 0 "[ . 1 . 2]" 1
56 1 19 ASP H 1 19 ASP QB . . 3.110 2.474 2.193 2.848 . 0 0 "[ . 1 . 2]" 1
57 1 19 ASP H 1 19 ASP HB3 . . 3.720 3.121 2.604 3.702 . 0 0 "[ . 1 . 2]" 1
58 1 19 ASP QB 1 20 GLU H . . 4.130 3.262 2.308 3.901 . 0 0 "[ . 1 . 2]" 1
59 1 20 GLU HA 1 21 GLU H . . 2.930 2.242 2.139 2.751 . 0 0 "[ . 1 . 2]" 1
60 1 20 GLU QB 1 21 GLU H . . 3.810 3.232 2.661 3.898 0.088 13 0 "[ . 1 . 2]" 1
61 1 21 GLU HA 1 21 GLU QG . . 3.650 2.633 2.179 3.425 . 0 0 "[ . 1 . 2]" 1
62 1 22 GLU HA 1 23 TYR QE . . 5.140 4.805 4.170 5.156 0.016 19 0 "[ . 1 . 2]" 1
63 1 22 GLU HA 1 45 LYS QD . . 5.500 4.938 3.923 5.516 0.016 8 0 "[ . 1 . 2]" 1
64 1 22 GLU QB 1 23 TYR H . . 3.880 2.672 2.330 3.630 . 0 0 "[ . 1 . 2]" 1
65 1 22 GLU QB 1 23 TYR QD . . 4.770 4.609 4.101 4.778 0.008 16 0 "[ . 1 . 2]" 1
66 1 22 GLU QG 1 24 VAL MG2 . . 4.200 2.422 1.895 4.184 . 0 0 "[ . 1 . 2]" 1
67 1 23 TYR H 1 23 TYR QB . . 3.170 2.435 2.329 2.586 . 0 0 "[ . 1 . 2]" 1
68 1 23 TYR H 1 23 TYR QD . . 4.150 2.628 1.952 2.924 . 0 0 "[ . 1 . 2]" 1
69 1 23 TYR H 1 24 VAL MG2 . . 4.930 3.901 3.220 4.685 . 0 0 "[ . 1 . 2]" 1
70 1 23 TYR HA 1 23 TYR QD . . 4.010 2.832 2.480 3.154 . 0 0 "[ . 1 . 2]" 1
71 1 23 TYR HA 1 24 VAL H . . 3.250 2.159 2.139 2.296 . 0 0 "[ . 1 . 2]" 1
72 1 23 TYR HA 1 24 VAL HB . . 4.890 4.725 4.624 4.848 . 0 0 "[ . 1 . 2]" 1
73 1 23 TYR HA 1 24 VAL MG2 . . 4.460 3.603 3.272 3.739 . 0 0 "[ . 1 . 2]" 1
74 1 23 TYR HA 1 44 TRP HB2 . . 5.500 4.758 4.243 5.514 0.014 18 0 "[ . 1 . 2]" 1
75 1 23 TYR HA 1 44 TRP HB3 . . 5.120 3.051 2.523 3.799 . 0 0 "[ . 1 . 2]" 1
76 1 23 TYR HA 1 44 TRP HZ3 . . 5.500 5.212 4.964 5.502 0.002 16 0 "[ . 1 . 2]" 1
77 1 23 TYR HA 1 45 LYS H . . 3.970 3.303 2.661 3.963 . 0 0 "[ . 1 . 2]" 1
78 1 23 TYR HA 1 45 LYS QD . . 4.870 3.491 2.507 3.884 . 0 0 "[ . 1 . 2]" 1
79 1 23 TYR HA 1 45 LYS QG . . 4.900 3.238 2.090 4.352 . 0 0 "[ . 1 . 2]" 1
80 1 23 TYR QB 1 24 VAL H . . 4.240 3.353 2.650 3.609 . 0 0 "[ . 1 . 2]" 1
81 1 23 TYR QB 1 44 TRP HZ2 . . 5.340 4.763 4.226 5.344 0.004 19 0 "[ . 1 . 2]" 1
82 1 23 TYR QB 1 44 TRP HZ3 . . 4.420 3.757 3.305 4.146 . 0 0 "[ . 1 . 2]" 1
83 1 23 TYR QB 1 45 LYS H . . 4.730 4.269 3.225 4.748 0.018 15 0 "[ . 1 . 2]" 1
84 1 23 TYR QD 1 24 VAL H . . 5.250 4.246 3.658 4.739 . 0 0 "[ . 1 . 2]" 1
85 1 23 TYR QD 1 24 VAL MG2 . . 5.500 5.320 5.148 5.451 . 0 0 "[ . 1 . 2]" 1
86 1 23 TYR QD 1 44 TRP H . . 5.500 5.183 4.920 5.513 0.013 18 0 "[ . 1 . 2]" 1
87 1 23 TYR QD 1 44 TRP HB2 . . 5.000 3.066 2.814 3.381 . 0 0 "[ . 1 . 2]" 1
88 1 23 TYR QD 1 44 TRP HB3 . . 5.060 2.171 1.990 2.635 . 0 0 "[ . 1 . 2]" 1
89 1 23 TYR QD 1 45 LYS QD . . 5.500 5.341 4.168 5.520 0.020 3 0 "[ . 1 . 2]" 1
90 1 24 VAL H 1 24 VAL HB . . 3.640 2.774 2.719 2.811 . 0 0 "[ . 1 . 2]" 1
91 1 24 VAL H 1 24 VAL MG1 . . 4.210 3.910 3.888 3.926 . 0 0 "[ . 1 . 2]" 1
92 1 24 VAL H 1 24 VAL MG2 . . 3.660 2.728 2.606 2.831 . 0 0 "[ . 1 . 2]" 1
93 1 24 VAL H 1 44 TRP HB3 . . 4.160 3.487 3.259 3.896 . 0 0 "[ . 1 . 2]" 1
94 1 24 VAL H 1 45 LYS QD . . 3.710 2.853 2.456 3.750 0.040 17 0 "[ . 1 . 2]" 1
95 1 24 VAL HA 1 24 VAL MG1 . . 3.370 2.322 2.296 2.341 . 0 0 "[ . 1 . 2]" 1
96 1 24 VAL HA 1 24 VAL MG2 . . 3.090 2.431 2.363 2.468 . 0 0 "[ . 1 . 2]" 1
97 1 24 VAL HA 1 25 VAL H . . 2.850 2.205 2.144 2.274 . 0 0 "[ . 1 . 2]" 1
98 1 24 VAL HA 1 25 VAL HA . . 5.500 4.341 4.310 4.375 . 0 0 "[ . 1 . 2]" 1
99 1 24 VAL HA 1 25 VAL MG1 . . 5.250 3.766 3.681 3.860 . 0 0 "[ . 1 . 2]" 1
100 1 24 VAL HA 1 25 VAL QG . . 4.210 3.364 3.331 3.446 . 0 0 "[ . 1 . 2]" 1
101 1 24 VAL HA 1 25 VAL MG2 . . 5.250 3.792 3.680 3.927 . 0 0 "[ . 1 . 2]" 1
102 1 24 VAL HA 1 44 TRP HZ3 . . 4.990 2.617 2.196 3.070 . 0 0 "[ . 1 . 2]" 1
103 1 24 VAL HB 1 25 VAL H . . 4.390 3.962 3.748 4.189 . 0 0 "[ . 1 . 2]" 1
104 1 24 VAL HB 1 44 TRP HA . . 5.500 4.981 4.784 5.156 . 0 0 "[ . 1 . 2]" 1
105 1 24 VAL HB 1 45 LYS HA . . 5.330 5.012 4.558 5.334 0.004 19 0 "[ . 1 . 2]" 1
106 1 24 VAL HB 1 45 LYS QB . . 4.160 3.209 2.620 4.071 . 0 0 "[ . 1 . 2]" 1
107 1 24 VAL MG1 1 25 VAL HB . . 5.500 4.758 4.496 4.999 . 0 0 "[ . 1 . 2]" 1
108 1 24 VAL MG1 1 44 TRP HA . . 5.500 5.157 5.047 5.217 . 0 0 "[ . 1 . 2]" 1
109 1 24 VAL MG2 1 25 VAL H . . 4.550 3.998 3.924 4.107 . 0 0 "[ . 1 . 2]" 1
110 1 24 VAL MG2 1 44 TRP HA . . 5.500 5.396 5.256 5.519 0.019 17 0 "[ . 1 . 2]" 1
111 1 24 VAL MG2 1 45 LYS H . . 4.450 4.300 4.241 4.425 . 0 0 "[ . 1 . 2]" 1
112 1 24 VAL MG2 1 45 LYS QB . . 5.230 3.655 3.360 3.897 . 0 0 "[ . 1 . 2]" 1
113 1 24 VAL MG2 1 45 LYS QD . . 3.550 2.156 1.833 3.336 . 0 0 "[ . 1 . 2]" 1
114 1 24 VAL MG2 1 45 LYS QG . . 3.750 3.344 2.654 3.721 . 0 0 "[ . 1 . 2]" 1
115 1 25 VAL H 1 25 VAL HB . . 3.630 3.617 3.611 3.629 . 0 0 "[ . 1 . 2]" 1
116 1 25 VAL H 1 25 VAL MG1 . . 3.940 2.313 2.198 2.427 . 0 0 "[ . 1 . 2]" 1
117 1 25 VAL H 1 25 VAL QG . . 3.080 1.878 1.839 1.944 . 0 0 "[ . 1 . 2]" 1
118 1 25 VAL H 1 25 VAL MG2 . . 3.940 1.989 1.937 2.047 . 0 0 "[ . 1 . 2]" 1
119 1 25 VAL HA 1 25 VAL MG1 . . 3.680 2.270 2.236 2.332 . 0 0 "[ . 1 . 2]" 1
120 1 25 VAL HA 1 25 VAL MG2 . . 3.680 3.202 3.198 3.203 . 0 0 "[ . 1 . 2]" 1
121 1 25 VAL HA 1 26 GLU H . . 2.890 2.253 2.215 2.265 . 0 0 "[ . 1 . 2]" 1
122 1 25 VAL HA 1 43 LYS HA . . 5.500 5.160 4.657 5.456 . 0 0 "[ . 1 . 2]" 1
123 1 25 VAL HA 1 44 TRP HA . . 4.130 3.227 2.976 3.442 . 0 0 "[ . 1 . 2]" 1
124 1 25 VAL HA 1 44 TRP HZ3 . . 4.990 3.799 3.237 4.330 . 0 0 "[ . 1 . 2]" 1
125 1 25 VAL HB 1 44 TRP HZ3 . . 5.440 4.947 4.448 5.437 . 0 0 "[ . 1 . 2]" 1
126 1 25 VAL QG 1 27 LYS H . . 4.850 4.302 4.181 4.408 . 0 0 "[ . 1 . 2]" 1
127 1 25 VAL QG 1 43 LYS H . . 5.440 3.745 3.011 4.362 . 0 0 "[ . 1 . 2]" 1
128 1 25 VAL QG 1 44 TRP HA . . 5.440 4.137 3.820 4.314 . 0 0 "[ . 1 . 2]" 1
129 1 25 VAL QG 1 44 TRP HZ3 . . 3.730 2.282 1.960 2.769 . 0 0 "[ . 1 . 2]" 1
130 1 25 VAL MG1 1 26 GLU H . . 4.050 3.737 3.712 3.808 . 0 0 "[ . 1 . 2]" 1
131 1 25 VAL MG2 1 26 GLU H . . 4.050 3.746 3.711 3.802 . 0 0 "[ . 1 . 2]" 1
132 1 26 GLU H 1 27 LYS H . . 3.160 2.387 2.312 2.455 . 0 0 "[ . 1 . 2]" 1
133 1 26 GLU H 1 27 LYS QG . . 4.810 4.643 4.573 4.696 . 0 0 "[ . 1 . 2]" 1
134 1 26 GLU H 1 43 LYS H . . 3.490 2.758 2.293 3.098 . 0 0 "[ . 1 . 2]" 1
135 1 26 GLU H 1 44 TRP HA . . 4.470 4.499 4.485 4.530 0.060 20 0 "[ . 1 . 2]" 1
136 1 26 GLU HA 1 26 GLU QG . . 3.900 2.451 2.160 2.675 . 0 0 "[ . 1 . 2]" 1
137 1 26 GLU QB 1 44 TRP HA . . 5.440 4.898 4.477 5.446 0.006 20 0 "[ . 1 . 2]" 1
138 1 26 GLU QG 1 27 LYS H . . 4.400 3.830 3.550 4.303 . 0 0 "[ . 1 . 2]" 1
139 1 27 LYS H 1 27 LYS QB . . 3.450 3.345 3.330 3.352 . 0 0 "[ . 1 . 2]" 1
140 1 27 LYS H 1 27 LYS QG . . 3.890 2.776 2.668 2.814 . 0 0 "[ . 1 . 2]" 1
141 1 27 LYS H 1 28 VAL H . . 4.470 4.336 4.335 4.337 . 0 0 "[ . 1 . 2]" 1
142 1 27 LYS HA 1 27 LYS QG . . 3.360 3.343 3.342 3.344 . 0 0 "[ . 1 . 2]" 1
143 1 27 LYS HA 1 28 VAL H . . 2.730 2.427 2.424 2.432 . 0 0 "[ . 1 . 2]" 1
144 1 27 LYS HA 1 65 LEU MD1 . . 4.030 3.016 1.933 3.889 . 0 0 "[ . 1 . 2]" 1
145 1 27 LYS HA 1 65 LEU QD . . 3.430 2.008 1.844 2.434 . 0 0 "[ . 1 . 2]" 1
146 1 27 LYS HA 1 65 LEU MD2 . . 4.030 2.253 1.894 4.033 0.003 19 0 "[ . 1 . 2]" 1
147 1 27 LYS HA 1 65 LEU HG . . 4.710 3.816 2.851 4.697 . 0 0 "[ . 1 . 2]" 1
148 1 27 LYS QE 1 27 LYS QG . . 3.090 2.221 2.122 2.527 . 0 0 "[ . 1 . 2]" 1
149 1 27 LYS QE 1 29 LEU HA . . 4.500 3.957 3.356 4.500 . 0 0 "[ . 1 . 2]" 1
150 1 27 LYS QG 1 28 VAL H . . 3.670 3.529 3.481 3.555 . 0 0 "[ . 1 . 2]" 1
151 1 27 LYS QG 1 28 VAL HA . . 4.880 4.340 4.277 4.387 . 0 0 "[ . 1 . 2]" 1
152 1 27 LYS QG 1 29 LEU QB . . 5.030 4.647 4.451 4.786 . 0 0 "[ . 1 . 2]" 1
153 1 27 LYS QG 1 29 LEU QD . . 3.370 2.139 1.945 2.420 . 0 0 "[ . 1 . 2]" 1
154 1 28 VAL H 1 28 VAL HB . . 2.970 2.543 2.509 2.560 . 0 0 "[ . 1 . 2]" 1
155 1 28 VAL H 1 28 VAL MG1 . . 4.000 3.787 3.778 3.797 . 0 0 "[ . 1 . 2]" 1
156 1 28 VAL H 1 28 VAL QG . . 3.150 2.175 2.103 2.226 . 0 0 "[ . 1 . 2]" 1
157 1 28 VAL H 1 28 VAL MG2 . . 4.000 2.188 2.114 2.242 . 0 0 "[ . 1 . 2]" 1
158 1 28 VAL H 1 69 PHE HB2 . . 4.820 4.308 3.923 4.624 . 0 0 "[ . 1 . 2]" 1
159 1 28 VAL H 1 69 PHE QD . . 4.920 4.349 3.718 4.633 . 0 0 "[ . 1 . 2]" 1
160 1 28 VAL HA 1 28 VAL MG1 . . 3.690 2.337 2.290 2.391 . 0 0 "[ . 1 . 2]" 1
161 1 28 VAL HA 1 28 VAL MG2 . . 3.690 2.434 2.359 2.453 . 0 0 "[ . 1 . 2]" 1
162 1 28 VAL HA 1 29 LEU H . . 2.960 2.146 2.142 2.149 . 0 0 "[ . 1 . 2]" 1
163 1 28 VAL HA 1 30 ASP H . . 4.270 4.052 4.034 4.072 . 0 0 "[ . 1 . 2]" 1
164 1 28 VAL HA 1 42 LEU HA . . 4.180 4.064 3.653 4.217 0.037 16 0 "[ . 1 . 2]" 1
165 1 28 VAL HA 1 42 LEU QD . . 5.020 4.140 3.244 5.081 0.061 5 0 "[ . 1 . 2]" 1
166 1 28 VAL HA 1 69 PHE HB2 . . 5.500 5.540 5.514 5.560 0.060 10 0 "[ . 1 . 2]" 1
167 1 28 VAL HB 1 69 PHE HB2 . . 4.820 2.549 2.506 2.734 . 0 0 "[ . 1 . 2]" 1
168 1 28 VAL HB 1 69 PHE HB3 . . 5.210 3.719 3.593 3.877 . 0 0 "[ . 1 . 2]" 1
169 1 28 VAL HB 1 69 PHE QD . . 4.380 3.026 2.682 3.202 . 0 0 "[ . 1 . 2]" 1
170 1 28 VAL QG 1 29 LEU H . . 3.430 2.918 2.869 2.967 . 0 0 "[ . 1 . 2]" 1
171 1 28 VAL QG 1 30 ASP H . . 3.490 3.104 2.923 3.232 . 0 0 "[ . 1 . 2]" 1
172 1 28 VAL QG 1 31 ARG H . . 5.260 4.505 4.367 4.599 . 0 0 "[ . 1 . 2]" 1
173 1 28 VAL QG 1 40 TYR HA . . 5.270 3.646 3.294 3.898 . 0 0 "[ . 1 . 2]" 1
174 1 28 VAL QG 1 40 TYR QB . . 3.730 2.576 2.215 3.086 . 0 0 "[ . 1 . 2]" 1
175 1 28 VAL QG 1 40 TYR QD . . 3.820 1.940 1.834 2.141 . 0 0 "[ . 1 . 2]" 1
176 1 28 VAL QG 1 40 TYR QE . . 3.820 2.990 2.663 3.411 . 0 0 "[ . 1 . 2]" 1
177 1 28 VAL QG 1 41 LEU H . . 4.240 3.019 2.650 3.423 . 0 0 "[ . 1 . 2]" 1
178 1 28 VAL QG 1 66 ILE HA . . 3.760 2.721 2.383 3.069 . 0 0 "[ . 1 . 2]" 1
179 1 28 VAL QG 1 66 ILE QG . . 3.400 2.499 2.151 2.783 . 0 0 "[ . 1 . 2]" 1
180 1 28 VAL QG 1 69 PHE HA . . 4.680 4.638 4.466 4.692 0.012 17 0 "[ . 1 . 2]" 1
181 1 28 VAL QG 1 69 PHE HB2 . . 4.250 2.948 2.691 3.042 . 0 0 "[ . 1 . 2]" 1
182 1 28 VAL QG 1 69 PHE HB3 . . 4.740 3.278 3.146 3.444 . 0 0 "[ . 1 . 2]" 1
183 1 28 VAL QG 1 69 PHE QD . . 3.750 2.994 2.805 3.148 . 0 0 "[ . 1 . 2]" 1
184 1 28 VAL MG1 1 29 LEU H . . 4.340 2.979 2.925 3.034 . 0 0 "[ . 1 . 2]" 1
185 1 28 VAL MG1 1 66 ILE HA . . 4.490 3.547 3.069 3.994 . 0 0 "[ . 1 . 2]" 1
186 1 28 VAL MG1 1 69 PHE HA . . 5.500 5.123 4.895 5.489 . 0 0 "[ . 1 . 2]" 1
187 1 28 VAL MG1 1 69 PHE HB3 . . 5.500 3.569 3.305 3.905 . 0 0 "[ . 1 . 2]" 1
188 1 28 VAL MG1 1 69 PHE QD . . 4.360 3.082 2.852 3.304 . 0 0 "[ . 1 . 2]" 1
189 1 28 VAL MG2 1 29 LEU H . . 4.340 4.170 4.154 4.197 . 0 0 "[ . 1 . 2]" 1
190 1 28 VAL MG2 1 66 ILE HA . . 4.490 2.833 2.484 3.189 . 0 0 "[ . 1 . 2]" 1
191 1 28 VAL MG2 1 69 PHE HA . . 5.500 5.339 4.812 5.508 0.008 5 0 "[ . 1 . 2]" 1
192 1 28 VAL MG2 1 69 PHE HB3 . . 5.500 3.874 3.471 4.091 . 0 0 "[ . 1 . 2]" 1
193 1 28 VAL MG2 1 69 PHE QD . . 4.360 4.122 3.664 4.296 . 0 0 "[ . 1 . 2]" 1
194 1 29 LEU H 1 29 LEU QB . . 3.440 2.202 2.104 2.494 . 0 0 "[ . 1 . 2]" 1
195 1 29 LEU H 1 29 LEU QD . . 4.120 2.509 2.170 3.114 . 0 0 "[ . 1 . 2]" 1
196 1 29 LEU H 1 29 LEU HG . . 4.150 3.947 2.351 4.185 0.035 16 0 "[ . 1 . 2]" 1
197 1 29 LEU H 1 30 ASP H . . 3.010 2.463 2.394 2.545 . 0 0 "[ . 1 . 2]" 1
198 1 29 LEU HA 1 29 LEU MD1 . . 4.010 2.691 2.037 3.895 . 0 0 "[ . 1 . 2]" 1
199 1 29 LEU HA 1 29 LEU QD . . 3.080 2.524 1.914 2.805 . 0 0 "[ . 1 . 2]" 1
200 1 29 LEU HA 1 29 LEU MD2 . . 4.010 3.429 1.976 3.729 . 0 0 "[ . 1 . 2]" 1
201 1 29 LEU HA 1 29 LEU HG . . 3.540 2.614 2.340 3.672 0.132 4 0 "[ . 1 . 2]" 1
202 1 29 LEU QB 1 41 LEU HG . . 4.180 2.673 2.066 3.373 . 0 0 "[ . 1 . 2]" 1
203 1 29 LEU HB2 1 41 LEU HG . . 5.000 2.816 2.173 3.709 . 0 0 "[ . 1 . 2]" 1
204 1 29 LEU HB3 1 41 LEU HG . . 5.000 3.411 2.550 3.898 . 0 0 "[ . 1 . 2]" 1
205 1 29 LEU QD 1 41 LEU QD . . 3.600 2.094 1.729 2.619 . 0 0 "[ . 1 . 2]" 1
206 1 29 LEU QD 1 41 LEU HG . . 3.790 3.286 2.595 3.676 . 0 0 "[ . 1 . 2]" 1
207 1 29 LEU QD 1 52 ASN HA . . 5.420 4.662 3.312 5.152 . 0 0 "[ . 1 . 2]" 1
208 1 30 ASP H 1 30 ASP QB . . 3.580 2.656 2.542 2.763 . 0 0 "[ . 1 . 2]" 1
209 1 30 ASP H 1 41 LEU H . . 3.430 3.070 2.818 3.335 . 0 0 "[ . 1 . 2]" 1
210 1 30 ASP H 1 41 LEU QB . . 5.340 1.877 1.825 1.969 . 0 0 "[ . 1 . 2]" 1
211 1 30 ASP QB 1 31 ARG H . . 3.810 2.548 2.339 3.092 . 0 0 "[ . 1 . 2]" 1
212 1 30 ASP QB 1 41 LEU HA . . 5.340 5.126 4.850 5.342 0.002 2 0 "[ . 1 . 2]" 1
213 1 30 ASP QB 1 41 LEU QB . . 4.480 2.708 2.315 2.973 . 0 0 "[ . 1 . 2]" 1
214 1 30 ASP QB 1 41 LEU HG . . 4.300 3.323 3.050 3.793 . 0 0 "[ . 1 . 2]" 1
215 1 30 ASP HB2 1 41 LEU HG . . 4.880 3.465 3.091 4.478 . 0 0 "[ . 1 . 2]" 1
216 1 30 ASP HB3 1 41 LEU HG . . 4.880 4.684 3.887 4.906 0.026 20 0 "[ . 1 . 2]" 1
217 1 31 ARG H 1 31 ARG QB . . 3.330 2.658 2.505 2.761 . 0 0 "[ . 1 . 2]" 1
218 1 31 ARG H 1 31 ARG QG . . 4.650 4.158 4.097 4.197 . 0 0 "[ . 1 . 2]" 1
219 1 31 ARG H 1 54 TRP HH2 . . 4.310 3.081 2.937 3.178 . 0 0 "[ . 1 . 2]" 1
220 1 31 ARG H 1 54 TRP HZ2 . . 5.460 5.181 4.969 5.234 . 0 0 "[ . 1 . 2]" 1
221 1 31 ARG H 1 54 TRP HZ3 . . 4.270 4.037 3.935 4.056 . 0 0 "[ . 1 . 2]" 1
222 1 31 ARG HA 1 31 ARG HD2 . . 5.500 4.697 4.416 4.862 . 0 0 "[ . 1 . 2]" 1
223 1 31 ARG HA 1 31 ARG HD3 . . 5.500 4.536 4.286 4.610 . 0 0 "[ . 1 . 2]" 1
224 1 31 ARG HA 1 38 VAL QG . . 5.390 4.723 4.095 5.083 . 0 0 "[ . 1 . 2]" 1
225 1 31 ARG HA 1 40 TYR QB . . 5.340 4.398 4.052 4.685 . 0 0 "[ . 1 . 2]" 1
226 1 31 ARG HA 1 40 TYR QE . . 5.440 4.884 3.952 5.392 . 0 0 "[ . 1 . 2]" 1
227 1 31 ARG HA 1 54 TRP HH2 . . 3.990 3.239 3.116 3.508 . 0 0 "[ . 1 . 2]" 1
228 1 31 ARG HA 1 54 TRP HZ3 . . 5.110 2.020 1.980 2.297 . 0 0 "[ . 1 . 2]" 1
229 1 31 ARG QB 1 40 TYR HA . . 5.350 3.785 3.374 4.263 . 0 0 "[ . 1 . 2]" 1
230 1 31 ARG QB 1 40 TYR QE . . 3.620 3.211 2.355 3.589 . 0 0 "[ . 1 . 2]" 1
231 1 31 ARG QD 1 32 ARG H . . 4.880 4.376 4.035 4.624 . 0 0 "[ . 1 . 2]" 1
232 1 31 ARG QD 1 40 TYR QE . . 3.310 2.277 2.068 2.527 . 0 0 "[ . 1 . 2]" 1
233 1 31 ARG HD2 1 40 TYR QE . . 4.090 2.718 2.077 3.248 . 0 0 "[ . 1 . 2]" 1
234 1 31 ARG HD3 1 40 TYR QE . . 4.090 3.044 2.139 4.091 0.001 5 0 "[ . 1 . 2]" 1
235 1 31 ARG QG 1 32 ARG H . . 3.630 2.259 2.036 2.535 . 0 0 "[ . 1 . 2]" 1
236 1 31 ARG QG 1 38 VAL QG . . 4.670 2.709 2.083 3.061 . 0 0 "[ . 1 . 2]" 1
237 1 32 ARG H 1 32 ARG HE . . 5.500 5.340 4.772 5.548 0.048 19 0 "[ . 1 . 2]" 1
238 1 32 ARG H 1 38 VAL HA . . 5.160 4.914 4.471 5.175 0.015 9 0 "[ . 1 . 2]" 1
239 1 32 ARG H 1 38 VAL QG . . 5.440 3.811 3.123 4.192 . 0 0 "[ . 1 . 2]" 1
240 1 32 ARG H 1 39 GLU H . . 3.760 3.272 2.985 3.521 . 0 0 "[ . 1 . 2]" 1
241 1 32 ARG H 1 39 GLU QB . . 5.500 3.612 3.075 4.981 . 0 0 "[ . 1 . 2]" 1
242 1 32 ARG H 1 54 TRP HH2 . . 4.060 3.839 3.630 4.070 0.010 16 0 "[ . 1 . 2]" 1
243 1 32 ARG H 1 54 TRP HZ3 . . 4.140 2.112 1.936 2.381 . 0 0 "[ . 1 . 2]" 1
244 1 32 ARG QB 1 33 MET H . . 3.430 2.924 2.355 3.434 0.004 18 0 "[ . 1 . 2]" 1
245 1 32 ARG QG 1 33 MET H . . 3.800 2.852 1.924 3.834 0.034 3 0 "[ . 1 . 2]" 1
246 1 33 MET H 1 34 VAL QG . . 4.070 3.526 3.221 3.932 . 0 0 "[ . 1 . 2]" 1
247 1 33 MET HA 1 34 VAL H . . 2.610 2.179 2.141 2.243 . 0 0 "[ . 1 . 2]" 1
248 1 33 MET HA 1 34 VAL HA . . 5.480 4.423 4.394 4.453 . 0 0 "[ . 1 . 2]" 1
249 1 33 MET HA 1 34 VAL MG1 . . 4.760 3.754 3.627 3.909 . 0 0 "[ . 1 . 2]" 1
250 1 33 MET HA 1 34 VAL QG . . 4.110 3.230 3.148 3.332 . 0 0 "[ . 1 . 2]" 1
251 1 33 MET HA 1 34 VAL MG2 . . 4.760 3.523 3.455 3.612 . 0 0 "[ . 1 . 2]" 1
252 1 33 MET HA 1 37 GLN H . . 4.530 4.342 4.203 4.469 . 0 0 "[ . 1 . 2]" 1
253 1 33 MET HA 1 38 VAL HA . . 3.700 2.375 1.973 2.846 . 0 0 "[ . 1 . 2]" 1
254 1 33 MET HA 1 38 VAL MG1 . . 4.930 4.056 3.473 4.725 . 0 0 "[ . 1 . 2]" 1
255 1 33 MET HA 1 38 VAL QG . . 4.230 3.461 3.013 3.883 . 0 0 "[ . 1 . 2]" 1
256 1 33 MET HA 1 38 VAL MG2 . . 4.930 3.849 3.149 4.395 . 0 0 "[ . 1 . 2]" 1
257 1 33 MET QB 1 38 VAL HA . . 4.110 3.169 2.844 3.768 . 0 0 "[ . 1 . 2]" 1
258 1 33 MET QB 1 38 VAL QG . . 4.280 2.870 2.303 3.857 . 0 0 "[ . 1 . 2]" 1
259 1 33 MET ME 1 36 GLY HA2 . . 5.090 2.608 1.985 3.636 . 0 0 "[ . 1 . 2]" 1
260 1 33 MET ME 1 36 GLY QA . . 4.450 2.564 1.969 3.532 . 0 0 "[ . 1 . 2]" 1
261 1 33 MET ME 1 36 GLY HA3 . . 5.090 3.843 3.255 4.799 . 0 0 "[ . 1 . 2]" 1
262 1 33 MET ME 1 37 GLN HA . . 4.290 3.344 2.660 4.197 . 0 0 "[ . 1 . 2]" 1
263 1 33 MET ME 1 38 VAL QG . . 2.840 2.213 1.776 2.789 . 0 0 "[ . 1 . 2]" 1
264 1 33 MET QG 1 34 VAL QG . . 4.330 3.925 3.784 4.313 . 0 0 "[ . 1 . 2]" 1
265 1 34 VAL H 1 34 VAL MG1 . . 4.070 3.140 3.040 3.188 . 0 0 "[ . 1 . 2]" 1
266 1 34 VAL H 1 34 VAL QG . . 3.240 2.186 2.076 2.297 . 0 0 "[ . 1 . 2]" 1
267 1 34 VAL H 1 34 VAL MG2 . . 4.070 2.231 2.114 2.360 . 0 0 "[ . 1 . 2]" 1
268 1 34 VAL H 1 37 GLN H . . 3.380 2.851 2.753 3.027 . 0 0 "[ . 1 . 2]" 1
269 1 34 VAL H 1 37 GLN QB . . 4.540 3.341 3.121 3.649 . 0 0 "[ . 1 . 2]" 1
270 1 34 VAL H 1 39 GLU H . . 4.970 4.456 3.971 4.883 . 0 0 "[ . 1 . 2]" 1
271 1 34 VAL HA 1 34 VAL MG1 . . 3.220 2.301 2.242 2.344 . 0 0 "[ . 1 . 2]" 1
272 1 34 VAL HA 1 34 VAL MG2 . . 3.220 3.199 3.197 3.202 . 0 0 "[ . 1 . 2]" 1
273 1 34 VAL HA 1 37 GLN H . . 5.320 4.132 4.104 4.182 . 0 0 "[ . 1 . 2]" 1
274 1 34 VAL QG 1 35 LYS H . . 4.550 3.438 3.419 3.482 . 0 0 "[ . 1 . 2]" 1
275 1 34 VAL QG 1 35 LYS HA . . 5.030 4.702 4.672 4.745 . 0 0 "[ . 1 . 2]" 1
276 1 34 VAL QG 1 35 LYS QG . . 3.710 3.390 3.253 3.421 . 0 0 "[ . 1 . 2]" 1
277 1 35 LYS H 1 35 LYS QD . . 4.870 4.331 3.444 4.730 . 0 0 "[ . 1 . 2]" 1
278 1 35 LYS H 1 35 LYS QG . . 4.350 2.752 2.648 2.821 . 0 0 "[ . 1 . 2]" 1
279 1 35 LYS H 1 36 GLY H . . 4.430 2.832 2.777 2.855 . 0 0 "[ . 1 . 2]" 1
280 1 35 LYS HA 1 35 LYS QE . . 5.350 4.107 1.955 4.923 . 0 0 "[ . 1 . 2]" 1
281 1 35 LYS HA 1 35 LYS QG . . 3.520 2.495 2.328 2.797 . 0 0 "[ . 1 . 2]" 1
282 1 35 LYS HA 1 36 GLY H . . 3.320 2.725 2.699 2.744 . 0 0 "[ . 1 . 2]" 1
283 1 35 LYS HA 1 36 GLY QA . . 4.400 4.011 4.003 4.017 . 0 0 "[ . 1 . 2]" 1
284 1 35 LYS HA 1 37 GLN H . . 4.650 4.412 4.402 4.422 . 0 0 "[ . 1 . 2]" 1
285 1 35 LYS HB2 1 36 GLY H . . 4.500 4.311 4.293 4.333 . 0 0 "[ . 1 . 2]" 1
286 1 35 LYS HB2 1 37 GLN H . . 4.130 3.993 3.938 4.046 . 0 0 "[ . 1 . 2]" 1
287 1 35 LYS QE 1 35 LYS QG . . 3.340 2.221 2.115 2.490 . 0 0 "[ . 1 . 2]" 1
288 1 35 LYS QG 1 36 GLY H . . 4.920 4.597 4.536 4.702 . 0 0 "[ . 1 . 2]" 1
289 1 36 GLY H 1 37 GLN H . . 3.270 2.705 2.702 2.709 . 0 0 "[ . 1 . 2]" 1
290 1 36 GLY QA 1 37 GLN QB . . 5.180 4.106 4.034 4.170 . 0 0 "[ . 1 . 2]" 1
291 1 37 GLN H 1 37 GLN HB2 . . 3.240 2.919 2.807 3.035 . 0 0 "[ . 1 . 2]" 1
292 1 37 GLN H 1 37 GLN QB . . 2.690 2.602 2.540 2.670 . 0 0 "[ . 1 . 2]" 1
293 1 37 GLN H 1 37 GLN HB3 . . 3.240 2.929 2.812 3.094 . 0 0 "[ . 1 . 2]" 1
294 1 37 GLN HA 1 37 GLN QG . . 3.450 2.426 2.155 2.700 . 0 0 "[ . 1 . 2]" 1
295 1 37 GLN QG 1 38 VAL QG . . 5.440 4.214 3.819 4.722 . 0 0 "[ . 1 . 2]" 1
296 1 38 VAL H 1 38 VAL HB . . 3.080 2.611 2.554 2.859 . 0 0 "[ . 1 . 2]" 1
297 1 38 VAL H 1 38 VAL MG1 . . 3.830 3.515 1.918 3.822 . 0 0 "[ . 1 . 2]" 1
298 1 38 VAL H 1 38 VAL QG . . 2.720 2.157 1.913 2.345 . 0 0 "[ . 1 . 2]" 1
299 1 38 VAL H 1 38 VAL MG2 . . 3.830 2.458 2.078 3.839 0.009 11 0 "[ . 1 . 2]" 1
300 1 38 VAL H 1 39 GLU H . . 4.600 4.506 4.335 4.590 . 0 0 "[ . 1 . 2]" 1
301 1 38 VAL HA 1 38 VAL MG1 . . 3.570 2.495 2.293 3.199 . 0 0 "[ . 1 . 2]" 1
302 1 38 VAL HA 1 38 VAL QG . . 3.060 2.157 2.078 2.313 . 0 0 "[ . 1 . 2]" 1
303 1 38 VAL HA 1 38 VAL MG2 . . 3.570 2.409 2.347 2.454 . 0 0 "[ . 1 . 2]" 1
304 1 38 VAL HA 1 39 GLU H . . 2.770 2.168 2.142 2.231 . 0 0 "[ . 1 . 2]" 1
305 1 38 VAL QG 1 39 GLU H . . 3.160 2.516 2.226 2.912 . 0 0 "[ . 1 . 2]" 1
306 1 38 VAL QG 1 39 GLU HA . . 4.840 3.553 3.319 3.711 . 0 0 "[ . 1 . 2]" 1
307 1 38 VAL QG 1 40 TYR H . . 5.440 4.656 4.217 4.799 . 0 0 "[ . 1 . 2]" 1
308 1 38 VAL QG 1 40 TYR HA . . 5.280 4.648 4.346 4.780 . 0 0 "[ . 1 . 2]" 1
309 1 38 VAL QG 1 40 TYR QD . . 3.980 2.995 2.565 3.257 . 0 0 "[ . 1 . 2]" 1
310 1 38 VAL QG 1 40 TYR QE . . 3.130 1.978 1.882 2.254 . 0 0 "[ . 1 . 2]" 1
311 1 38 VAL QG 1 57 GLU HA . . 5.280 4.195 3.881 4.679 . 0 0 "[ . 1 . 2]" 1
312 1 38 VAL QG 1 57 GLU QB . . 4.340 2.408 1.865 3.241 . 0 0 "[ . 1 . 2]" 1
313 1 38 VAL MG1 1 39 GLU H . . 4.210 2.754 2.238 3.890 . 0 0 "[ . 1 . 2]" 1
314 1 38 VAL MG2 1 39 GLU H . . 4.210 3.819 2.455 4.173 . 0 0 "[ . 1 . 2]" 1
315 1 39 GLU H 1 39 GLU QG . . 4.070 3.499 2.154 4.110 0.040 18 0 "[ . 1 . 2]" 1
316 1 39 GLU HA 1 40 TYR QD . . 5.500 3.109 2.818 3.768 . 0 0 "[ . 1 . 2]" 1
317 1 39 GLU HA 1 55 GLU H . . 5.500 4.385 4.017 4.904 . 0 0 "[ . 1 . 2]" 1
318 1 39 GLU HA 1 56 PRO HA . . 4.110 2.540 2.310 2.722 . 0 0 "[ . 1 . 2]" 1
319 1 39 GLU QB 1 56 PRO HA . . 4.340 3.878 2.259 4.279 . 0 0 "[ . 1 . 2]" 1
320 1 39 GLU QG 1 55 GLU H . . 4.360 3.935 2.257 4.373 0.013 19 0 "[ . 1 . 2]" 1
321 1 39 GLU QG 1 56 PRO HA . . 4.310 2.643 1.978 4.343 0.033 16 0 "[ . 1 . 2]" 1
322 1 40 TYR H 1 40 TYR QB . . 3.550 2.635 2.463 2.727 . 0 0 "[ . 1 . 2]" 1
323 1 40 TYR H 1 40 TYR QD . . 4.140 3.051 2.403 3.534 . 0 0 "[ . 1 . 2]" 1
324 1 40 TYR H 1 41 LEU H . . 4.900 4.376 4.303 4.515 . 0 0 "[ . 1 . 2]" 1
325 1 40 TYR H 1 42 LEU QD . . 5.500 4.563 3.442 4.879 . 0 0 "[ . 1 . 2]" 1
326 1 40 TYR H 1 55 GLU H . . 3.750 2.641 2.300 3.574 . 0 0 "[ . 1 . 2]" 1
327 1 40 TYR HA 1 40 TYR QD . . 4.270 3.052 2.718 3.154 . 0 0 "[ . 1 . 2]" 1
328 1 40 TYR HA 1 40 TYR QE . . 5.330 4.622 4.479 4.699 . 0 0 "[ . 1 . 2]" 1
329 1 40 TYR HA 1 41 LEU H . . 3.060 2.239 2.197 2.372 . 0 0 "[ . 1 . 2]" 1
330 1 40 TYR HA 1 42 LEU QD . . 5.500 5.264 4.162 5.537 0.037 4 0 "[ . 1 . 2]" 1
331 1 40 TYR HA 1 60 LEU HG . . 5.500 5.363 4.915 5.529 0.029 16 0 "[ . 1 . 2]" 1
332 1 40 TYR QB 1 41 LEU H . . 3.610 2.842 2.465 3.020 . 0 0 "[ . 1 . 2]" 1
333 1 40 TYR QB 1 42 LEU QD . . 4.260 3.245 2.384 3.539 . 0 0 "[ . 1 . 2]" 1
334 1 40 TYR QB 1 42 LEU HG . . 4.590 3.639 3.021 4.593 0.003 2 0 "[ . 1 . 2]" 1
335 1 40 TYR HB2 1 41 LEU H . . 4.270 4.054 3.724 4.231 . 0 0 "[ . 1 . 2]" 1
336 1 40 TYR HB2 1 42 LEU HG . . 5.220 4.020 3.439 5.089 . 0 0 "[ . 1 . 2]" 1
337 1 40 TYR HB2 1 60 LEU HG . . 5.080 2.533 2.074 2.831 . 0 0 "[ . 1 . 2]" 1
338 1 40 TYR HB3 1 41 LEU H . . 4.270 2.903 2.502 3.093 . 0 0 "[ . 1 . 2]" 1
339 1 40 TYR HB3 1 42 LEU HG . . 5.220 4.186 3.253 5.230 0.010 2 0 "[ . 1 . 2]" 1
340 1 40 TYR HB3 1 60 LEU HG . . 5.080 3.485 3.184 3.902 . 0 0 "[ . 1 . 2]" 1
341 1 40 TYR QD 1 60 LEU HG . . 3.920 3.277 2.792 3.730 . 0 0 "[ . 1 . 2]" 1
342 1 40 TYR QE 1 57 GLU QB . . 4.550 2.305 1.979 3.189 . 0 0 "[ . 1 . 2]" 1
343 1 40 TYR QE 1 66 ILE MD . . 4.110 3.786 3.418 4.010 . 0 0 "[ . 1 . 2]" 1
344 1 40 TYR QE 1 66 ILE MG . . 3.480 2.436 2.093 2.713 . 0 0 "[ . 1 . 2]" 1
345 1 41 LEU H 1 41 LEU QB . . 3.330 2.254 2.210 2.316 . 0 0 "[ . 1 . 2]" 1
346 1 41 LEU H 1 42 LEU H . . 4.790 4.369 4.224 4.516 . 0 0 "[ . 1 . 2]" 1
347 1 41 LEU H 1 54 TRP HH2 . . 5.190 4.593 4.017 5.196 0.006 11 0 "[ . 1 . 2]" 1
348 1 41 LEU HA 1 41 LEU QD . . 3.520 1.978 1.854 2.036 . 0 0 "[ . 1 . 2]" 1
349 1 41 LEU HA 1 53 THR H . . 4.740 4.288 3.949 4.515 . 0 0 "[ . 1 . 2]" 1
350 1 41 LEU HA 1 54 TRP HA . . 4.020 2.534 2.407 2.675 . 0 0 "[ . 1 . 2]" 1
351 1 41 LEU HA 1 54 TRP QB . . 5.420 4.346 4.209 4.479 . 0 0 "[ . 1 . 2]" 1
352 1 41 LEU HA 1 55 GLU H . . 5.500 3.774 3.312 3.983 . 0 0 "[ . 1 . 2]" 1
353 1 41 LEU QB 1 54 TRP HA . . 4.800 4.362 4.243 4.468 . 0 0 "[ . 1 . 2]" 1
354 1 41 LEU HB2 1 54 TRP HA . . 5.470 4.585 4.449 4.734 . 0 0 "[ . 1 . 2]" 1
355 1 41 LEU HB3 1 54 TRP HA . . 5.470 5.468 5.351 5.513 0.043 17 0 "[ . 1 . 2]" 1
356 1 41 LEU QD 1 42 LEU H . . 5.120 2.448 2.049 2.718 . 0 0 "[ . 1 . 2]" 1
357 1 41 LEU QD 1 52 ASN H . . 4.770 4.253 4.113 4.393 . 0 0 "[ . 1 . 2]" 1
358 1 41 LEU QD 1 52 ASN HA . . 4.800 2.957 2.365 3.194 . 0 0 "[ . 1 . 2]" 1
359 1 41 LEU QD 1 52 ASN HB2 . . 3.870 1.742 1.720 1.799 . 0 0 "[ . 1 . 2]" 1
360 1 41 LEU QD 1 52 ASN HB3 . . 3.800 2.568 2.461 2.794 . 0 0 "[ . 1 . 2]" 1
361 1 41 LEU QD 1 53 THR H . . 3.770 2.283 1.942 2.438 . 0 0 "[ . 1 . 2]" 1
362 1 41 LEU QD 1 53 THR HA . . 4.350 3.381 3.170 3.581 . 0 0 "[ . 1 . 2]" 1
363 1 41 LEU QD 1 53 THR HB . . 5.500 4.539 4.167 4.683 . 0 0 "[ . 1 . 2]" 1
364 1 41 LEU QD 1 53 THR MG . . 4.420 4.165 3.838 4.279 . 0 0 "[ . 1 . 2]" 1
365 1 41 LEU QD 1 54 TRP HA . . 4.290 2.865 2.422 3.102 . 0 0 "[ . 1 . 2]" 1
366 1 41 LEU QD 1 54 TRP HD1 . . 4.310 3.075 2.945 3.238 . 0 0 "[ . 1 . 2]" 1
367 1 41 LEU QD 1 54 TRP HE1 . . 3.410 2.671 2.467 2.821 . 0 0 "[ . 1 . 2]" 1
368 1 41 LEU QD 1 54 TRP HZ2 . . 4.520 3.367 2.921 3.561 . 0 0 "[ . 1 . 2]" 1
369 1 41 LEU QD 1 55 GLU H . . 4.770 4.422 3.926 4.652 . 0 0 "[ . 1 . 2]" 1
370 1 41 LEU HG 1 52 ASN HB3 . . 5.500 4.188 3.672 4.503 . 0 0 "[ . 1 . 2]" 1
371 1 41 LEU HG 1 53 THR H . . 5.110 4.883 4.337 5.117 0.007 1 0 "[ . 1 . 2]" 1
372 1 41 LEU HG 1 54 TRP HZ2 . . 4.750 4.440 3.924 4.767 0.017 16 0 "[ . 1 . 2]" 1
373 1 42 LEU H 1 42 LEU QB . . 3.670 2.521 2.277 3.005 . 0 0 "[ . 1 . 2]" 1
374 1 42 LEU H 1 42 LEU QD . . 5.070 3.356 2.333 3.703 . 0 0 "[ . 1 . 2]" 1
375 1 42 LEU H 1 42 LEU HG . . 3.720 2.928 2.046 3.788 0.068 1 0 "[ . 1 . 2]" 1
376 1 42 LEU HA 1 42 LEU HG . . 4.060 3.041 2.408 3.689 . 0 0 "[ . 1 . 2]" 1
377 1 42 LEU HA 1 43 LYS H . . 2.990 2.283 2.159 2.341 . 0 0 "[ . 1 . 2]" 1
378 1 42 LEU QB 1 43 LYS H . . 3.680 2.705 2.520 3.130 . 0 0 "[ . 1 . 2]" 1
379 1 42 LEU QB 1 43 LYS QD . . 5.340 5.127 4.286 5.520 0.180 12 0 "[ . 1 . 2]" 1
380 1 42 LEU QD 1 44 TRP HH2 . . 4.060 3.366 2.803 3.830 . 0 0 "[ . 1 . 2]" 1
381 1 42 LEU QD 1 44 TRP HZ2 . . 4.120 3.153 2.538 4.120 . 10 0 "[ . 1 . 2]" 1
382 1 42 LEU QD 1 56 PRO QD . . 5.430 4.398 4.197 4.523 . 0 0 "[ . 1 . 2]" 1
383 1 42 LEU QD 1 56 PRO QG . . 5.500 5.382 5.187 5.498 . 0 0 "[ . 1 . 2]" 1
384 1 42 LEU QD 1 60 LEU QD . . 3.320 1.592 1.543 1.673 . 0 0 "[ . 1 . 2]" 1
385 1 43 LYS H 1 43 LYS QD . . 4.230 3.879 2.623 4.412 0.182 12 0 "[ . 1 . 2]" 1
386 1 43 LYS H 1 43 LYS QG . . 4.990 3.482 2.864 4.277 . 0 0 "[ . 1 . 2]" 1
387 1 43 LYS H 1 44 TRP H . . 4.770 4.146 3.922 4.444 . 0 0 "[ . 1 . 2]" 1
388 1 43 LYS H 1 60 LEU QD . . 5.500 5.474 5.267 5.584 0.084 20 0 "[ . 1 . 2]" 1
389 1 43 LYS HA 1 44 TRP H . . 3.340 2.158 2.139 2.196 . 0 0 "[ . 1 . 2]" 1
390 1 43 LYS HA 1 44 TRP HB2 . . 5.500 4.582 4.539 4.642 . 0 0 "[ . 1 . 2]" 1
391 1 43 LYS QB 1 43 LYS QE . . 2.990 2.442 2.024 2.965 . 0 0 "[ . 1 . 2]" 1
392 1 43 LYS QB 1 53 THR H . . 5.500 5.470 4.940 5.541 0.041 13 0 "[ . 1 . 2]" 1
393 1 43 LYS QD 1 44 TRP H . . 5.500 4.449 2.410 5.591 0.091 20 0 "[ . 1 . 2]" 1
394 1 43 LYS QG 1 53 THR H . . 4.800 4.137 3.603 4.835 0.035 1 0 "[ . 1 . 2]" 1
395 1 44 TRP H 1 44 TRP HB2 . . 3.500 2.459 2.417 2.499 . 0 0 "[ . 1 . 2]" 1
396 1 44 TRP H 1 44 TRP HD1 . . 4.030 3.316 3.083 3.566 . 0 0 "[ . 1 . 2]" 1
397 1 44 TRP H 1 47 PHE QE . . 5.370 5.271 5.033 5.382 0.012 14 0 "[ . 1 . 2]" 1
398 1 44 TRP HA 1 44 TRP HZ3 . . 5.390 4.438 4.304 4.619 . 0 0 "[ . 1 . 2]" 1
399 1 44 TRP HA 1 45 LYS QB . . 5.340 4.426 4.330 4.533 . 0 0 "[ . 1 . 2]" 1
400 1 44 TRP HA 1 45 LYS QG . . 5.170 4.066 3.898 4.317 . 0 0 "[ . 1 . 2]" 1
401 1 44 TRP HB2 1 44 TRP HE1 . . 5.250 4.751 4.749 4.753 . 0 0 "[ . 1 . 2]" 1
402 1 44 TRP HB2 1 45 LYS H . . 4.680 3.955 3.807 4.100 . 0 0 "[ . 1 . 2]" 1
403 1 44 TRP HB2 1 47 PHE QD . . 4.910 2.302 1.992 2.647 . 0 0 "[ . 1 . 2]" 1
404 1 44 TRP HB2 1 47 PHE QE . . 3.980 3.221 3.009 3.534 . 0 0 "[ . 1 . 2]" 1
405 1 44 TRP HB3 1 47 PHE QE . . 5.300 3.662 3.232 4.092 . 0 0 "[ . 1 . 2]" 1
406 1 44 TRP HE1 1 53 THR HB . . 5.170 4.787 4.447 5.105 . 0 0 "[ . 1 . 2]" 1
407 1 44 TRP HE1 1 53 THR MG . . 4.550 4.328 4.259 4.344 . 0 0 "[ . 1 . 2]" 1
408 1 45 LYS HA 1 45 LYS QD . . 4.610 4.214 4.002 4.371 . 0 0 "[ . 1 . 2]" 1
409 1 45 LYS HA 1 45 LYS QE . . 5.500 4.722 4.110 5.428 . 0 0 "[ . 1 . 2]" 1
410 1 45 LYS QB 1 45 LYS QD . . 2.750 2.142 2.088 2.212 . 0 0 "[ . 1 . 2]" 1
411 1 45 LYS HB2 1 45 LYS QD . . 3.440 2.508 2.122 2.934 . 0 0 "[ . 1 . 2]" 1
412 1 45 LYS HB3 1 45 LYS QD . . 3.440 2.510 2.195 3.147 . 0 0 "[ . 1 . 2]" 1
413 1 45 LYS QE 1 45 LYS QG . . 3.450 2.247 2.070 2.554 . 0 0 "[ . 1 . 2]" 1
414 1 46 GLY H 1 47 PHE H . . 3.580 2.817 2.640 2.940 . 0 0 "[ . 1 . 2]" 1
415 1 46 GLY H 1 47 PHE HA . . 5.290 5.049 4.930 5.174 . 0 0 "[ . 1 . 2]" 1
416 1 47 PHE H 1 47 PHE QB . . 3.550 2.321 2.275 2.366 . 0 0 "[ . 1 . 2]" 1
417 1 47 PHE H 1 47 PHE QE . . 4.630 4.289 4.182 4.387 . 0 0 "[ . 1 . 2]" 1
418 1 47 PHE H 1 48 SER H . . 5.010 4.593 4.483 4.629 . 0 0 "[ . 1 . 2]" 1
419 1 47 PHE HA 1 47 PHE QE . . 4.680 4.626 4.589 4.670 . 0 0 "[ . 1 . 2]" 1
420 1 47 PHE HA 1 51 HIS QB . . 4.600 3.312 2.960 3.559 . 0 0 "[ . 1 . 2]" 1
421 1 47 PHE HA 1 51 HIS HD2 . . 4.890 4.597 4.382 4.638 . 0 0 "[ . 1 . 2]" 1
422 1 47 PHE QD 1 51 HIS QB . . 4.970 1.973 1.958 2.039 . 0 0 "[ . 1 . 2]" 1
423 1 47 PHE QE 1 51 HIS QB . . 4.250 3.904 3.627 4.099 . 0 0 "[ . 1 . 2]" 1
424 1 47 PHE QE 1 51 HIS HD2 . . 4.360 3.198 2.330 4.364 0.004 5 0 "[ . 1 . 2]" 1
425 1 48 SER H 1 51 HIS QB . . 4.740 2.200 1.917 2.525 . 0 0 "[ . 1 . 2]" 1
426 1 48 SER HA 1 49 GLU H . . 3.080 2.479 2.451 2.528 . 0 0 "[ . 1 . 2]" 1
427 1 49 GLU H 1 49 GLU QB . . 3.080 2.423 2.118 2.515 . 0 0 "[ . 1 . 2]" 1
428 1 49 GLU H 1 50 GLU H . . 3.990 2.878 2.822 2.945 . 0 0 "[ . 1 . 2]" 1
429 1 49 GLU HA 1 49 GLU QG . . 3.670 2.673 2.243 3.339 . 0 0 "[ . 1 . 2]" 1
430 1 49 GLU QB 1 51 HIS H . . 5.450 4.501 4.261 4.885 . 0 0 "[ . 1 . 2]" 1
431 1 49 GLU QB 1 52 ASN H . . 4.930 4.792 4.673 5.000 0.070 16 0 "[ . 1 . 2]" 1
432 1 49 GLU QG 1 50 GLU H . . 4.290 3.430 1.962 4.106 . 0 0 "[ . 1 . 2]" 1
433 1 50 GLU H 1 50 GLU QG . . 3.450 2.130 2.017 2.173 . 0 0 "[ . 1 . 2]" 1
434 1 50 GLU H 1 51 HIS H . . 3.480 2.689 2.644 2.718 . 0 0 "[ . 1 . 2]" 1
435 1 50 GLU H 1 52 ASN H . . 4.470 4.257 4.188 4.354 . 0 0 "[ . 1 . 2]" 1
436 1 50 GLU HA 1 50 GLU HG2 . . 3.810 3.452 2.440 3.836 0.026 11 0 "[ . 1 . 2]" 1
437 1 50 GLU HA 1 50 GLU HG3 . . 3.810 3.666 3.318 3.866 0.056 14 0 "[ . 1 . 2]" 1
438 1 50 GLU QB 1 50 GLU QG . . 2.360 2.074 2.017 2.081 . 0 0 "[ . 1 . 2]" 1
439 1 50 GLU QG 1 51 HIS H . . 5.340 2.773 2.213 4.066 . 0 0 "[ . 1 . 2]" 1
440 1 51 HIS H 1 51 HIS QB . . 3.540 2.218 2.186 2.282 . 0 0 "[ . 1 . 2]" 1
441 1 51 HIS H 1 52 ASN H . . 3.190 2.694 2.642 2.722 . 0 0 "[ . 1 . 2]" 1
442 1 51 HIS H 1 52 ASN HB3 . . 5.360 4.682 4.598 4.742 . 0 0 "[ . 1 . 2]" 1
443 1 51 HIS HA 1 51 HIS HD2 . . 4.540 4.054 3.673 4.275 . 0 0 "[ . 1 . 2]" 1
444 1 52 ASN H 1 52 ASN HB2 . . 3.700 3.592 3.590 3.595 . 0 0 "[ . 1 . 2]" 1
445 1 52 ASN H 1 52 ASN HB3 . . 3.160 2.537 2.510 2.563 . 0 0 "[ . 1 . 2]" 1
446 1 52 ASN H 1 52 ASN HD21 . . 4.680 4.267 4.204 4.334 . 0 0 "[ . 1 . 2]" 1
447 1 52 ASN H 1 52 ASN HD22 . . 4.330 4.126 4.057 4.214 . 0 0 "[ . 1 . 2]" 1
448 1 52 ASN HA 1 53 THR H . . 2.980 2.306 2.206 2.382 . 0 0 "[ . 1 . 2]" 1
449 1 52 ASN HA 1 53 THR MG . . 5.040 3.621 3.554 3.703 . 0 0 "[ . 1 . 2]" 1
450 1 52 ASN HB2 1 53 THR H . . 3.740 2.686 2.486 2.999 . 0 0 "[ . 1 . 2]" 1
451 1 52 ASN HB3 1 53 THR H . . 4.100 3.890 3.779 4.061 . 0 0 "[ . 1 . 2]" 1
452 1 52 ASN HD22 1 54 TRP HA . . 5.500 5.383 5.132 5.509 0.009 5 0 "[ . 1 . 2]" 1
453 1 52 ASN HD22 1 54 TRP QB . . 5.500 5.369 5.090 5.512 0.012 17 0 "[ . 1 . 2]" 1
454 1 53 THR H 1 53 THR MG . . 3.730 3.137 2.977 3.282 . 0 0 "[ . 1 . 2]" 1
455 1 53 THR H 1 54 TRP H . . 4.960 4.363 4.311 4.437 . 0 0 "[ . 1 . 2]" 1
456 1 53 THR HA 1 53 THR MG . . 3.130 2.340 2.245 2.360 . 0 0 "[ . 1 . 2]" 1
457 1 53 THR HA 1 54 TRP H . . 2.900 2.235 2.227 2.256 . 0 0 "[ . 1 . 2]" 1
458 1 53 THR HA 1 54 TRP HD1 . . 5.430 3.550 3.324 3.741 . 0 0 "[ . 1 . 2]" 1
459 1 53 THR HB 1 54 TRP H . . 2.890 2.856 2.783 2.886 . 0 0 "[ . 1 . 2]" 1
460 1 53 THR MG 1 54 TRP H . . 3.850 3.714 3.641 3.732 . 0 0 "[ . 1 . 2]" 1
461 1 54 TRP H 1 54 TRP QB . . 3.370 2.363 2.320 2.411 . 0 0 "[ . 1 . 2]" 1
462 1 54 TRP H 1 54 TRP HD1 . . 4.150 2.853 2.670 2.961 . 0 0 "[ . 1 . 2]" 1
463 1 54 TRP H 1 54 TRP HE1 . . 5.500 5.226 5.114 5.333 . 0 0 "[ . 1 . 2]" 1
464 1 54 TRP HA 1 54 TRP HE3 . . 5.500 3.379 3.218 3.605 . 0 0 "[ . 1 . 2]" 1
465 1 54 TRP QB 1 54 TRP HE1 . . 4.650 4.450 4.438 4.469 . 0 0 "[ . 1 . 2]" 1
466 1 54 TRP QB 1 55 GLU H . . 4.030 3.025 2.745 3.474 . 0 0 "[ . 1 . 2]" 1
467 1 55 GLU H 1 56 PRO HA . . 5.500 5.120 4.961 5.384 . 0 0 "[ . 1 . 2]" 1
468 1 55 GLU H 1 56 PRO QD . . 4.640 4.336 4.276 4.374 . 0 0 "[ . 1 . 2]" 1
469 1 55 GLU H 1 60 LEU QD . . 5.500 3.715 3.268 4.209 . 0 0 "[ . 1 . 2]" 1
470 1 56 PRO QB 1 59 ASN QB . . 5.180 3.558 3.401 3.885 . 0 0 "[ . 1 . 2]" 1
471 1 56 PRO QD 1 59 ASN H . . 4.470 4.198 3.964 4.280 . 0 0 "[ . 1 . 2]" 1
472 1 56 PRO QD 1 59 ASN QB . . 5.020 2.650 2.242 2.827 . 0 0 "[ . 1 . 2]" 1
473 1 56 PRO QD 1 60 LEU QD . . 5.500 4.001 3.618 4.753 . 0 0 "[ . 1 . 2]" 1
474 1 56 PRO QG 1 59 ASN HA . . 5.360 4.170 4.026 4.451 . 0 0 "[ . 1 . 2]" 1
475 1 57 GLU H 1 57 GLU QB . . 2.950 2.218 2.170 2.242 . 0 0 "[ . 1 . 2]" 1
476 1 57 GLU HA 1 57 GLU QG . . 3.480 2.385 2.246 2.811 . 0 0 "[ . 1 . 2]" 1
477 1 57 GLU HA 1 60 LEU HB2 . . 5.200 2.152 1.996 2.328 . 0 0 "[ . 1 . 2]" 1
478 1 57 GLU HA 1 60 LEU HG . . 3.750 3.315 3.160 3.470 . 0 0 "[ . 1 . 2]" 1
479 1 57 GLU HA 1 66 ILE MD . . 5.500 4.597 4.301 4.967 . 0 0 "[ . 1 . 2]" 1
480 1 57 GLU QB 1 60 LEU HG . . 5.280 4.995 4.844 5.039 . 0 0 "[ . 1 . 2]" 1
481 1 57 GLU QG 1 58 LYS H . . 4.510 4.021 3.730 4.418 . 0 0 "[ . 1 . 2]" 1
482 1 57 GLU QG 1 60 LEU HB3 . . 4.110 3.831 3.348 4.096 . 0 0 "[ . 1 . 2]" 1
483 1 58 LYS H 1 58 LYS QB . . 2.980 2.261 2.181 2.487 . 0 0 "[ . 1 . 2]" 1
484 1 58 LYS H 1 59 ASN H . . 3.510 2.717 2.695 2.743 . 0 0 "[ . 1 . 2]" 1
485 1 58 LYS H 1 60 LEU H . . 4.470 4.096 3.901 4.318 . 0 0 "[ . 1 . 2]" 1
486 1 58 LYS HA 1 58 LYS QD . . 4.150 3.714 2.117 4.302 0.152 15 0 "[ . 1 . 2]" 1
487 1 58 LYS HA 1 58 LYS QE . . 5.500 4.386 1.929 5.536 0.036 1 0 "[ . 1 . 2]" 1
488 1 58 LYS HA 1 58 LYS QG . . 3.880 2.625 2.313 3.345 . 0 0 "[ . 1 . 2]" 1
489 1 58 LYS QB 1 59 ASN H . . 3.590 2.867 2.629 3.598 0.008 1 0 "[ . 1 . 2]" 1
490 1 58 LYS QB 1 59 ASN QB . . 5.340 4.141 3.520 4.996 . 0 0 "[ . 1 . 2]" 1
491 1 58 LYS QE 1 58 LYS QG . . 3.360 2.214 2.115 2.535 . 0 0 "[ . 1 . 2]" 1
492 1 58 LYS QG 1 59 ASN H . . 4.060 3.649 2.104 4.155 0.095 6 0 "[ . 1 . 2]" 1
493 1 58 LYS QG 1 59 ASN HA . . 4.500 3.989 3.525 4.419 . 0 0 "[ . 1 . 2]" 1
494 1 59 ASN H 1 59 ASN QB . . 3.390 2.302 2.133 2.476 . 0 0 "[ . 1 . 2]" 1
495 1 59 ASN H 1 60 LEU H . . 3.140 2.454 2.255 2.842 . 0 0 "[ . 1 . 2]" 1
496 1 59 ASN H 1 60 LEU QD . . 5.090 3.970 3.475 4.702 . 0 0 "[ . 1 . 2]" 1
497 1 59 ASN QB 1 60 LEU H . . 3.910 3.076 2.718 3.796 . 0 0 "[ . 1 . 2]" 1
498 1 59 ASN QB 1 60 LEU HB2 . . 5.340 4.614 4.492 4.764 . 0 0 "[ . 1 . 2]" 1
499 1 59 ASN QB 1 60 LEU QD . . 5.330 3.367 2.974 4.248 . 0 0 "[ . 1 . 2]" 1
500 1 59 ASN HB2 1 60 LEU H . . 4.650 3.661 2.862 4.533 . 0 0 "[ . 1 . 2]" 1
501 1 59 ASN HB3 1 60 LEU H . . 4.650 3.537 2.771 4.474 . 0 0 "[ . 1 . 2]" 1
502 1 60 LEU H 1 60 LEU HB2 . . 3.030 2.197 2.042 2.565 . 0 0 "[ . 1 . 2]" 1
503 1 60 LEU H 1 60 LEU QD . . 3.640 2.767 2.264 3.657 0.017 16 0 "[ . 1 . 2]" 1
504 1 60 LEU HA 1 60 LEU QD . . 3.240 1.887 1.839 1.937 . 0 0 "[ . 1 . 2]" 1
505 1 60 LEU HA 1 60 LEU HG . . 3.960 3.651 3.633 3.670 . 0 0 "[ . 1 . 2]" 1
506 1 60 LEU HA 1 61 ASP H . . 3.220 2.216 2.184 2.290 . 0 0 "[ . 1 . 2]" 1
507 1 60 LEU HA 1 62 CYS H . . 4.410 4.014 3.958 4.063 . 0 0 "[ . 1 . 2]" 1
508 1 60 LEU HB2 1 60 LEU QD . . 3.240 2.293 2.239 2.354 . 0 0 "[ . 1 . 2]" 1
509 1 60 LEU HB2 1 66 ILE MD . . 5.440 3.944 3.546 4.648 . 0 0 "[ . 1 . 2]" 1
510 1 60 LEU HB3 1 66 ILE MD . . 4.940 2.980 2.646 3.632 . 0 0 "[ . 1 . 2]" 1
511 1 60 LEU QD 1 61 ASP H . . 4.060 3.155 2.791 3.328 . 0 0 "[ . 1 . 2]" 1
512 1 60 LEU QD 1 66 ILE MD . . 3.460 2.885 2.177 3.168 . 0 0 "[ . 1 . 2]" 1
513 1 60 LEU HG 1 66 ILE MD . . 3.670 3.120 2.708 3.574 . 0 0 "[ . 1 . 2]" 1
514 1 60 LEU HG 1 66 ILE QG . . 4.750 4.099 3.673 4.666 . 0 0 "[ . 1 . 2]" 1
515 1 61 ASP H 1 61 ASP QB . . 3.660 2.403 2.241 2.747 . 0 0 "[ . 1 . 2]" 1
516 1 61 ASP H 1 62 CYS H . . 3.920 3.427 3.381 3.479 . 0 0 "[ . 1 . 2]" 1
517 1 61 ASP HA 1 62 CYS H . . 3.460 2.638 2.611 2.665 . 0 0 "[ . 1 . 2]" 1
518 1 61 ASP HA 1 63 PRO QD . . 5.160 3.720 3.478 3.887 . 0 0 "[ . 1 . 2]" 1
519 1 62 CYS H 1 65 LEU QD . . 5.190 4.818 4.539 5.193 0.003 18 0 "[ . 1 . 2]" 1
520 1 62 CYS H 1 66 ILE MD . . 4.470 3.897 3.825 3.983 . 0 0 "[ . 1 . 2]" 1
521 1 62 CYS QB 1 65 LEU QB . . 4.370 2.306 1.977 2.806 . 0 0 "[ . 1 . 2]" 1
522 1 62 CYS QB 1 65 LEU QD . . 3.940 1.930 1.859 2.413 . 0 0 "[ . 1 . 2]" 1
523 1 63 PRO HA 1 66 ILE H . . 5.500 3.576 3.465 3.666 . 0 0 "[ . 1 . 2]" 1
524 1 63 PRO HA 1 66 ILE HB . . 4.570 3.358 3.080 3.521 . 0 0 "[ . 1 . 2]" 1
525 1 63 PRO HA 1 66 ILE MD . . 4.140 2.032 1.964 2.308 . 0 0 "[ . 1 . 2]" 1
526 1 63 PRO HA 1 66 ILE MG . . 5.120 4.685 4.445 4.846 . 0 0 "[ . 1 . 2]" 1
527 1 63 PRO QB 1 66 ILE MD . . 4.600 3.705 3.638 3.952 . 0 0 "[ . 1 . 2]" 1
528 1 63 PRO QD 1 64 GLU H . . 4.290 2.615 2.602 2.646 . 0 0 "[ . 1 . 2]" 1
529 1 63 PRO QD 1 64 GLU QG . . 5.350 3.396 3.328 3.491 . 0 0 "[ . 1 . 2]" 1
530 1 63 PRO QD 1 65 LEU H . . 5.050 4.366 4.223 4.518 . 0 0 "[ . 1 . 2]" 1
531 1 64 GLU H 1 64 GLU QB . . 3.030 2.482 2.471 2.504 . 0 0 "[ . 1 . 2]" 1
532 1 64 GLU H 1 64 GLU QG . . 3.570 2.103 2.044 2.144 . 0 0 "[ . 1 . 2]" 1
533 1 64 GLU H 1 65 LEU H . . 3.560 2.782 2.741 2.817 . 0 0 "[ . 1 . 2]" 1
534 1 64 GLU HA 1 64 GLU QG . . 3.770 3.339 3.338 3.339 . 0 0 "[ . 1 . 2]" 1
535 1 64 GLU HA 1 67 SER QB . . 3.620 2.579 2.365 2.715 . 0 0 "[ . 1 . 2]" 1
536 1 64 GLU QB 1 67 SER QB . . 4.380 3.882 3.733 4.060 . 0 0 "[ . 1 . 2]" 1
537 1 64 GLU QG 1 65 LEU H . . 4.010 2.049 1.988 2.093 . 0 0 "[ . 1 . 2]" 1
538 1 64 GLU QG 1 65 LEU HA . . 4.050 3.300 3.231 3.353 . 0 0 "[ . 1 . 2]" 1
539 1 64 GLU QG 1 65 LEU QB . . 4.510 3.503 3.380 3.678 . 0 0 "[ . 1 . 2]" 1
540 1 64 GLU QG 1 65 LEU QD . . 4.240 2.874 1.963 3.583 . 0 0 "[ . 1 . 2]" 1
541 1 64 GLU QG 1 65 LEU HG . . 4.880 3.554 2.649 4.609 . 0 0 "[ . 1 . 2]" 1
542 1 64 GLU QG 1 66 ILE H . . 5.500 4.519 4.443 4.570 . 0 0 "[ . 1 . 2]" 1
543 1 64 GLU QG 1 66 ILE MD . . 5.040 4.755 4.641 4.872 . 0 0 "[ . 1 . 2]" 1
544 1 64 GLU QG 1 67 SER QB . . 5.340 4.972 4.814 5.121 . 0 0 "[ . 1 . 2]" 1
545 1 65 LEU H 1 65 LEU HB2 . . 4.070 2.170 2.088 2.360 . 0 0 "[ . 1 . 2]" 1
546 1 65 LEU H 1 65 LEU QB . . 3.440 2.149 2.070 2.328 . 0 0 "[ . 1 . 2]" 1
547 1 65 LEU H 1 65 LEU HB3 . . 4.070 3.474 3.403 3.567 . 0 0 "[ . 1 . 2]" 1
548 1 65 LEU H 1 65 LEU MD1 . . 5.500 3.253 2.312 3.922 . 0 0 "[ . 1 . 2]" 1
549 1 65 LEU H 1 65 LEU MD2 . . 5.500 3.789 2.169 4.093 . 0 0 "[ . 1 . 2]" 1
550 1 65 LEU H 1 66 ILE H . . 3.220 2.879 2.838 2.912 . 0 0 "[ . 1 . 2]" 1
551 1 65 LEU H 1 66 ILE HA . . 5.460 5.439 5.405 5.464 0.004 13 0 "[ . 1 . 2]" 1
552 1 65 LEU H 1 66 ILE MD . . 4.730 3.589 3.537 3.645 . 0 0 "[ . 1 . 2]" 1
553 1 65 LEU H 1 67 SER H . . 4.300 4.279 4.146 4.314 0.014 8 0 "[ . 1 . 2]" 1
554 1 65 LEU H 1 67 SER QB . . 5.120 4.886 4.729 5.045 . 0 0 "[ . 1 . 2]" 1
555 1 65 LEU HA 1 65 LEU MD1 . . 4.010 3.185 2.025 3.854 . 0 0 "[ . 1 . 2]" 1
556 1 65 LEU HA 1 65 LEU QD . . 3.020 2.233 1.936 2.521 . 0 0 "[ . 1 . 2]" 1
557 1 65 LEU HA 1 65 LEU MD2 . . 4.010 2.725 2.038 3.738 . 0 0 "[ . 1 . 2]" 1
558 1 65 LEU HA 1 66 ILE HA . . 5.500 4.781 4.736 4.803 . 0 0 "[ . 1 . 2]" 1
559 1 65 LEU QB 1 66 ILE H . . 3.510 2.487 2.389 2.547 . 0 0 "[ . 1 . 2]" 1
560 1 65 LEU QD 1 66 ILE MD . . 4.320 3.636 3.418 3.975 . 0 0 "[ . 1 . 2]" 1
561 1 66 ILE H 1 66 ILE HB . . 3.690 2.496 2.474 2.511 . 0 0 "[ . 1 . 2]" 1
562 1 66 ILE H 1 66 ILE MD . . 3.930 1.899 1.879 1.946 . 0 0 "[ . 1 . 2]" 1
563 1 66 ILE H 1 66 ILE HG12 . . 4.090 3.843 3.829 3.864 . 0 0 "[ . 1 . 2]" 1
564 1 66 ILE H 1 66 ILE QG . . 3.420 2.895 2.857 2.960 . 0 0 "[ . 1 . 2]" 1
565 1 66 ILE H 1 66 ILE HG13 . . 4.090 2.994 2.948 3.074 . 0 0 "[ . 1 . 2]" 1
566 1 66 ILE H 1 66 ILE MG . . 3.850 3.759 3.755 3.762 . 0 0 "[ . 1 . 2]" 1
567 1 66 ILE H 1 67 SER H . . 3.430 2.739 2.631 2.793 . 0 0 "[ . 1 . 2]" 1
568 1 66 ILE H 1 68 GLU H . . 4.530 4.378 4.293 4.485 . 0 0 "[ . 1 . 2]" 1
569 1 66 ILE H 1 68 GLU QG . . 5.500 5.214 4.298 5.518 0.018 8 0 "[ . 1 . 2]" 1
570 1 66 ILE HA 1 66 ILE MD . . 3.950 3.302 3.257 3.353 . 0 0 "[ . 1 . 2]" 1
571 1 66 ILE HA 1 69 PHE HA . . 5.500 5.211 5.023 5.296 . 0 0 "[ . 1 . 2]" 1
572 1 66 ILE HA 1 69 PHE HB3 . . 4.390 2.566 2.273 2.696 . 0 0 "[ . 1 . 2]" 1
573 1 66 ILE HA 1 69 PHE QD . . 5.080 3.978 3.557 4.303 . 0 0 "[ . 1 . 2]" 1
574 1 66 ILE HB 1 66 ILE MD . . 3.440 2.136 2.115 2.163 . 0 0 "[ . 1 . 2]" 1
575 1 66 ILE HB 1 67 SER H . . 3.340 2.501 2.440 2.623 . 0 0 "[ . 1 . 2]" 1
576 1 66 ILE MD 1 66 ILE MG . . 3.340 3.135 3.124 3.148 . 0 0 "[ . 1 . 2]" 1
577 1 66 ILE MD 1 67 SER H . . 5.500 3.704 3.631 3.728 . 0 0 "[ . 1 . 2]" 1
578 1 66 ILE MD 1 69 PHE HB2 . . 5.500 5.501 5.363 5.543 0.043 8 0 "[ . 1 . 2]" 1
579 1 66 ILE MG 1 67 SER H . . 4.150 3.241 3.175 3.395 . 0 0 "[ . 1 . 2]" 1
580 1 66 ILE MG 1 67 SER HA . . 4.110 3.277 3.216 3.381 . 0 0 "[ . 1 . 2]" 1
581 1 66 ILE MG 1 67 SER QB . . 4.780 4.269 4.125 4.724 . 0 0 "[ . 1 . 2]" 1
582 1 66 ILE MG 1 69 PHE HB3 . . 5.500 3.568 3.379 3.715 . 0 0 "[ . 1 . 2]" 1
583 1 66 ILE MG 1 70 MET H . . 4.600 3.782 3.635 3.898 . 0 0 "[ . 1 . 2]" 1
584 1 67 SER H 1 67 SER QB . . 3.090 2.264 2.141 2.522 . 0 0 "[ . 1 . 2]" 1
585 1 67 SER H 1 68 GLU H . . 3.400 2.883 2.846 2.922 . 0 0 "[ . 1 . 2]" 1
586 1 67 SER H 1 68 GLU QG . . 5.080 4.428 3.970 4.661 . 0 0 "[ . 1 . 2]" 1
587 1 67 SER H 1 69 PHE H . . 4.870 4.261 4.147 4.324 . 0 0 "[ . 1 . 2]" 1
588 1 67 SER HA 1 71 LYS QE . . 5.070 4.020 3.723 4.204 . 0 0 "[ . 1 . 2]" 1
589 1 67 SER QB 1 68 GLU H . . 2.990 2.366 2.288 2.458 . 0 0 "[ . 1 . 2]" 1
590 1 68 GLU H 1 69 PHE H . . 3.480 2.669 2.591 2.727 . 0 0 "[ . 1 . 2]" 1
591 1 68 GLU H 1 69 PHE HA . . 5.500 5.258 5.192 5.307 . 0 0 "[ . 1 . 2]" 1
592 1 68 GLU H 1 71 LYS QE . . 5.500 5.173 4.920 5.254 . 0 0 "[ . 1 . 2]" 1
593 1 68 GLU H 1 71 LYS QG . . 4.360 4.290 4.255 4.340 . 0 0 "[ . 1 . 2]" 1
594 1 68 GLU HA 1 68 GLU QG . . 3.640 2.801 2.305 3.338 . 0 0 "[ . 1 . 2]" 1
595 1 68 GLU HA 1 71 LYS QG . . 3.690 2.140 2.096 2.181 . 0 0 "[ . 1 . 2]" 1
596 1 68 GLU QB 1 69 PHE H . . 3.570 2.657 2.410 3.347 . 0 0 "[ . 1 . 2]" 1
597 1 68 GLU QG 1 69 PHE H . . 4.060 3.508 1.994 4.024 . 0 0 "[ . 1 . 2]" 1
598 1 69 PHE H 1 69 PHE HB3 . . 3.280 2.672 2.604 2.710 . 0 0 "[ . 1 . 2]" 1
599 1 69 PHE H 1 69 PHE QD . . 4.500 4.133 4.107 4.166 . 0 0 "[ . 1 . 2]" 1
600 1 69 PHE H 1 70 MET H . . 3.430 2.881 2.865 2.895 . 0 0 "[ . 1 . 2]" 1
601 1 69 PHE HA 1 69 PHE QD . . 4.030 2.541 2.462 2.788 . 0 0 "[ . 1 . 2]" 1
602 1 69 PHE HB3 1 70 MET H . . 3.780 2.431 2.406 2.461 . 0 0 "[ . 1 . 2]" 1
603 1 69 PHE QD 1 70 MET H . . 3.950 3.617 3.475 3.724 . 0 0 "[ . 1 . 2]" 1
604 1 69 PHE QD 1 70 MET QB . . 5.180 4.581 4.208 5.004 . 0 0 "[ . 1 . 2]" 1
605 1 69 PHE QD 1 72 LYS QB . . 5.460 3.899 3.709 4.226 . 0 0 "[ . 1 . 2]" 1
606 1 70 MET H 1 71 LYS H . . 3.470 2.778 2.763 2.783 . 0 0 "[ . 1 . 2]" 1
607 1 70 MET H 1 71 LYS QE . . 4.040 3.910 3.899 3.924 . 0 0 "[ . 1 . 2]" 1
608 1 70 MET HA 1 70 MET QG . . 3.740 2.436 2.247 2.720 . 0 0 "[ . 1 . 2]" 1
609 1 70 MET HA 1 73 TYR QB . . 3.620 2.599 2.492 2.850 . 0 0 "[ . 1 . 2]" 1
610 1 70 MET HB2 1 71 LYS QE . . 4.300 3.198 2.340 3.704 . 0 0 "[ . 1 . 2]" 1
611 1 70 MET HB3 1 71 LYS QE . . 4.300 2.437 2.061 3.033 . 0 0 "[ . 1 . 2]" 1
612 1 71 LYS H 1 71 LYS QB . . 3.000 2.593 2.590 2.596 . 0 0 "[ . 1 . 2]" 1
613 1 71 LYS H 1 71 LYS QD . . 3.760 3.657 3.585 3.677 . 0 0 "[ . 1 . 2]" 1
614 1 71 LYS H 1 71 LYS QG . . 4.110 1.910 1.904 1.918 . 0 0 "[ . 1 . 2]" 1
615 1 71 LYS H 1 72 LYS H . . 3.160 2.679 2.617 2.715 . 0 0 "[ . 1 . 2]" 1
616 1 71 LYS HA 1 71 LYS QD . . 3.270 2.468 2.246 2.508 . 0 0 "[ . 1 . 2]" 1
617 1 71 LYS HA 1 71 LYS QE . . 4.420 2.035 1.961 2.670 . 0 0 "[ . 1 . 2]" 1
618 1 72 LYS H 1 72 LYS QG . . 3.610 2.914 2.495 3.532 . 0 0 "[ . 1 . 2]" 1
619 1 72 LYS H 1 73 TYR H . . 3.350 2.583 2.557 2.639 . 0 0 "[ . 1 . 2]" 1
620 1 72 LYS H 1 73 TYR QB . . 4.880 4.283 4.264 4.311 . 0 0 "[ . 1 . 2]" 1
621 1 72 LYS HA 1 72 LYS QD . . 3.840 3.062 2.119 3.841 0.001 8 0 "[ . 1 . 2]" 1
622 1 72 LYS HA 1 72 LYS QE . . 4.940 4.305 3.573 4.894 . 0 0 "[ . 1 . 2]" 1
623 1 72 LYS HA 1 72 LYS QG . . 3.730 2.362 2.204 2.695 . 0 0 "[ . 1 . 2]" 1
624 1 72 LYS QB 1 72 LYS QD . . 3.300 2.188 2.129 2.490 . 0 0 "[ . 1 . 2]" 1
625 1 72 LYS QB 1 73 TYR H . . 3.410 2.452 2.365 2.504 . 0 0 "[ . 1 . 2]" 1
626 1 72 LYS QE 1 72 LYS QG . . 3.220 2.216 2.130 2.305 . 0 0 "[ . 1 . 2]" 1
627 1 72 LYS QG 1 73 TYR H . . 4.500 4.231 4.058 4.412 . 0 0 "[ . 1 . 2]" 1
628 1 73 TYR H 1 73 TYR HB2 . . 3.500 2.326 2.148 2.394 . 0 0 "[ . 1 . 2]" 1
629 1 73 TYR H 1 73 TYR HB3 . . 3.500 2.760 2.672 3.006 . 0 0 "[ . 1 . 2]" 1
630 1 73 TYR H 1 73 TYR QD . . 4.740 4.095 3.994 4.138 . 0 0 "[ . 1 . 2]" 1
631 1 73 TYR H 1 76 MET QB . . 4.730 4.548 4.349 4.742 0.012 14 0 "[ . 1 . 2]" 1
632 1 73 TYR HA 1 73 TYR QD . . 3.650 2.415 2.282 2.852 . 0 0 "[ . 1 . 2]" 1
633 1 73 TYR HA 1 73 TYR QE . . 4.670 4.397 4.353 4.456 . 0 0 "[ . 1 . 2]" 1
634 1 73 TYR HA 1 76 MET QB . . 4.110 2.295 2.080 2.451 . 0 0 "[ . 1 . 2]" 1
635 1 73 TYR QB 1 74 LYS H . . 3.920 2.559 2.485 2.685 . 0 0 "[ . 1 . 2]" 1
636 1 73 TYR QB 1 74 LYS QG . . 5.180 4.459 3.661 5.188 0.008 7 0 "[ . 1 . 2]" 1
637 1 73 TYR QB 1 76 MET QB . . 5.000 4.150 4.023 4.237 . 0 0 "[ . 1 . 2]" 1
638 1 73 TYR QD 1 76 MET QB . . 3.900 3.112 3.047 3.248 . 0 0 "[ . 1 . 2]" 1
639 1 73 TYR QD 1 77 LYS QB . . 5.500 3.731 2.885 4.467 . 0 0 "[ . 1 . 2]" 1
640 1 73 TYR QE 1 76 MET QB . . 4.180 4.018 4.007 4.034 . 0 0 "[ . 1 . 2]" 1
641 1 73 TYR QE 1 77 LYS QB . . 3.880 3.416 2.768 3.905 0.025 5 0 "[ . 1 . 2]" 1
642 1 73 TYR QE 1 77 LYS QE . . 4.280 3.944 2.889 4.287 0.007 13 0 "[ . 1 . 2]" 1
643 1 73 TYR QE 1 77 LYS QG . . 4.370 3.827 2.232 4.373 0.003 19 0 "[ . 1 . 2]" 1
644 1 74 LYS H 1 74 LYS QB . . 3.220 2.183 2.104 2.243 . 0 0 "[ . 1 . 2]" 1
645 1 74 LYS H 1 75 LYS H . . 3.910 2.896 2.854 2.918 . 0 0 "[ . 1 . 2]" 1
646 1 74 LYS HA 1 74 LYS QD . . 4.890 3.365 2.134 4.137 . 0 0 "[ . 1 . 2]" 1
647 1 74 LYS HA 1 74 LYS HG2 . . 4.170 2.525 2.234 2.750 . 0 0 "[ . 1 . 2]" 1
648 1 74 LYS HA 1 74 LYS QG . . 3.610 2.358 2.212 2.529 . 0 0 "[ . 1 . 2]" 1
649 1 74 LYS HA 1 74 LYS HG3 . . 4.170 3.078 2.518 3.651 . 0 0 "[ . 1 . 2]" 1
650 1 74 LYS QB 1 74 LYS QD . . 3.350 2.185 2.112 2.471 . 0 0 "[ . 1 . 2]" 1
651 1 74 LYS QB 1 75 LYS H . . 3.460 2.469 2.358 2.603 . 0 0 "[ . 1 . 2]" 1
652 1 74 LYS QE 1 74 LYS HG2 . . 3.630 2.702 2.129 3.342 . 0 0 "[ . 1 . 2]" 1
653 1 74 LYS QE 1 74 LYS HG3 . . 3.630 2.442 2.129 3.304 . 0 0 "[ . 1 . 2]" 1
654 1 74 LYS QG 1 75 LYS H . . 4.770 4.188 3.801 4.333 . 0 0 "[ . 1 . 2]" 1
655 1 75 LYS H 1 75 LYS QB . . 3.610 2.224 2.111 2.359 . 0 0 "[ . 1 . 2]" 1
656 1 75 LYS H 1 75 LYS QD . . 4.160 3.766 2.282 4.278 0.118 11 0 "[ . 1 . 2]" 1
657 1 75 LYS H 1 76 MET H . . 4.070 2.594 2.496 2.645 . 0 0 "[ . 1 . 2]" 1
658 1 75 LYS HA 1 75 LYS QD . . 3.180 2.430 2.077 3.231 0.051 15 0 "[ . 1 . 2]" 1
659 1 75 LYS HA 1 75 LYS QE . . 4.450 3.779 1.955 4.482 0.032 20 0 "[ . 1 . 2]" 1
660 1 75 LYS HA 1 75 LYS QG . . 3.450 2.538 2.235 2.734 . 0 0 "[ . 1 . 2]" 1
661 1 75 LYS QB 1 76 MET H . . 3.630 2.528 2.426 2.622 . 0 0 "[ . 1 . 2]" 1
662 1 75 LYS QE 1 75 LYS QG . . 3.010 2.232 2.084 2.494 . 0 0 "[ . 1 . 2]" 1
663 1 76 MET H 1 76 MET QG . . 4.590 3.319 2.184 4.015 . 0 0 "[ . 1 . 2]" 1
664 1 76 MET HA 1 76 MET QG . . 3.600 2.384 2.213 2.737 . 0 0 "[ . 1 . 2]" 1
665 1 77 LYS HA 1 77 LYS QD . . 4.660 3.286 2.111 4.370 . 0 0 "[ . 1 . 2]" 1
666 1 77 LYS HA 1 77 LYS QE . . 5.020 4.068 1.945 4.734 . 0 0 "[ . 1 . 2]" 1
667 1 77 LYS HA 1 77 LYS QG . . 3.350 2.424 2.186 3.343 . 0 0 "[ . 1 . 2]" 1
668 1 77 LYS QB 1 77 LYS QD . . 2.730 2.274 2.074 2.516 . 0 0 "[ . 1 . 2]" 1
669 1 77 LYS QB 1 78 GLU H . . 3.790 3.157 2.241 3.633 . 0 0 "[ . 1 . 2]" 1
670 1 77 LYS QD 1 77 LYS QG . . 2.370 2.041 2.025 2.092 . 0 0 "[ . 1 . 2]" 1
671 1 77 LYS QE 1 77 LYS HG2 . . 3.810 2.582 2.169 3.455 . 0 0 "[ . 1 . 2]" 1
672 1 77 LYS QE 1 77 LYS QG . . 3.050 2.232 2.073 2.540 . 0 0 "[ . 1 . 2]" 1
673 1 77 LYS QE 1 77 LYS HG3 . . 3.810 2.856 2.176 3.471 . 0 0 "[ . 1 . 2]" 1
674 1 77 LYS QE 1 78 GLU H . . 5.320 4.508 2.115 5.086 . 0 0 "[ . 1 . 2]" 1
675 1 78 GLU H 1 78 GLU QG . . 4.110 3.218 1.948 4.185 0.075 5 0 "[ . 1 . 2]" 1
676 1 78 GLU HA 1 78 GLU QG . . 3.870 2.678 2.178 3.439 . 0 0 "[ . 1 . 2]" 1
677 1 78 GLU HA 1 79 GLY H . . 3.540 2.286 2.145 3.571 0.031 5 0 "[ . 1 . 2]" 1
678 1 78 GLU QG 1 79 GLY H . . 5.340 3.574 2.243 4.363 . 0 0 "[ . 1 . 2]" 1
679 1 78 GLU QG 1 79 GLY QA . . 5.500 4.265 3.524 5.298 . 0 0 "[ . 1 . 2]" 1
680 1 79 GLY QA 1 80 GLU QG . . 5.500 4.310 3.503 5.482 . 0 0 "[ . 1 . 2]" 1
681 1 80 GLU H 1 80 GLU QB . . 3.120 2.675 2.236 3.115 . 0 0 "[ . 1 . 2]" 1
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