NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
606513 |
2n69   |
25755 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n69
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 951
_Distance_constraint_stats_list.Viol_count 3170
_Distance_constraint_stats_list.Viol_total 3738.738
_Distance_constraint_stats_list.Viol_max 0.430
_Distance_constraint_stats_list.Viol_rms 0.0304
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0098
_Distance_constraint_stats_list.Viol_average_violations_only 0.0590
_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 LYS 1.376 0.148 8 0 "[ . 1 . 2]"
1 4 CYS 3.260 0.212 8 0 "[ . 1 . 2]"
1 5 LYS 9.219 0.214 16 0 "[ . 1 . 2]"
1 6 LYS 2.899 0.214 16 0 "[ . 1 . 2]"
1 7 VAL 5.687 0.126 18 0 "[ . 1 . 2]"
1 8 TYR 10.670 0.178 7 0 "[ . 1 . 2]"
1 9 GLU 10.858 0.178 7 0 "[ . 1 . 2]"
1 10 ASN 3.614 0.165 19 0 "[ . 1 . 2]"
1 11 TYR 3.210 0.099 14 0 "[ . 1 . 2]"
1 12 PRO 1.462 0.107 13 0 "[ . 1 . 2]"
1 13 VAL 2.369 0.128 13 0 "[ . 1 . 2]"
1 14 SER 2.909 0.107 13 0 "[ . 1 . 2]"
1 15 LYS 5.525 0.143 20 0 "[ . 1 . 2]"
1 16 CYS 1.501 0.084 14 0 "[ . 1 . 2]"
1 17 GLN 5.976 0.149 11 0 "[ . 1 . 2]"
1 18 LEU 13.466 0.152 3 0 "[ . 1 . 2]"
1 19 ARG 2.404 0.101 19 0 "[ . 1 . 2]"
1 20 ILE 4.978 0.175 16 0 "[ . 1 . 2]"
1 21 ALA 5.538 0.167 3 0 "[ . 1 . 2]"
1 22 ASN 4.704 0.134 5 0 "[ . 1 . 2]"
1 23 GLN 6.785 0.198 1 0 "[ . 1 . 2]"
1 24 CYS 5.090 0.151 15 0 "[ . 1 . 2]"
1 25 ASN 11.077 0.260 14 0 "[ . 1 . 2]"
1 26 TYR 8.273 0.264 17 0 "[ . 1 . 2]"
1 27 ASP 2.661 0.107 5 0 "[ . 1 . 2]"
1 28 CYS 7.109 0.260 14 0 "[ . 1 . 2]"
1 29 LYS 4.763 0.264 17 0 "[ . 1 . 2]"
1 30 LEU 1.023 0.092 3 0 "[ . 1 . 2]"
1 31 ASP 4.683 0.113 3 0 "[ . 1 . 2]"
1 32 LYS 15.420 0.209 18 0 "[ . 1 . 2]"
1 33 HIS 5.267 0.209 18 0 "[ . 1 . 2]"
1 34 ALA 0.818 0.073 14 0 "[ . 1 . 2]"
1 35 ARG 11.418 0.430 18 0 "[ . 1 . 2]"
1 36 SER 14.645 0.430 18 0 "[ . 1 . 2]"
1 37 GLY 5.384 0.177 14 0 "[ . 1 . 2]"
1 38 GLU 4.714 0.126 11 0 "[ . 1 . 2]"
1 39 CYS 3.442 0.101 17 0 "[ . 1 . 2]"
1 40 PHE 5.145 0.137 13 0 "[ . 1 . 2]"
1 41 TYR 10.638 0.186 10 0 "[ . 1 . 2]"
1 42 ASP 1.933 0.129 11 0 "[ . 1 . 2]"
1 43 GLU 1.471 0.094 5 0 "[ . 1 . 2]"
1 44 LYS 0.817 0.155 15 0 "[ . 1 . 2]"
1 45 ARG 5.604 0.147 17 0 "[ . 1 . 2]"
1 46 ASN 7.927 0.246 1 0 "[ . 1 . 2]"
1 47 LEU 18.354 0.246 1 0 "[ . 1 . 2]"
1 48 GLN 6.119 0.251 14 0 "[ . 1 . 2]"
1 49 CYS 5.414 0.182 19 0 "[ . 1 . 2]"
1 50 ILE 15.170 0.182 19 0 "[ . 1 . 2]"
1 51 CYS 5.112 0.161 18 0 "[ . 1 . 2]"
1 52 ASP 3.358 0.191 15 0 "[ . 1 . 2]"
1 53 TYR 3.848 0.212 8 0 "[ . 1 . 2]"
1 54 CYS 3.544 0.245 18 0 "[ . 1 . 2]"
1 55 GLU 5.939 0.294 13 0 "[ . 1 . 2]"
1 56 TYR 1.969 0.206 12 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 LYS HA 1 3 LYS QG . . 3.590 3.059 2.521 3.343 . 0 0 "[ . 1 . 2]" 1
2 1 3 LYS HA 1 4 CYS H . . 3.300 3.302 3.187 3.448 0.148 8 0 "[ . 1 . 2]" 1
3 1 3 LYS QB 1 4 CYS H . . 4.130 3.578 2.989 3.923 . 0 0 "[ . 1 . 2]" 1
4 1 3 LYS HG2 1 4 CYS H . . 4.310 3.846 2.917 4.383 0.073 5 0 "[ . 1 . 2]" 1
5 1 3 LYS HG3 1 4 CYS H . . 4.310 3.767 3.005 4.352 0.042 9 0 "[ . 1 . 2]" 1
6 1 4 CYS H 1 4 CYS HB2 . . 3.890 3.551 2.917 3.733 . 0 0 "[ . 1 . 2]" 1
7 1 4 CYS H 1 4 CYS QB . . 3.120 3.064 2.825 3.165 0.045 2 0 "[ . 1 . 2]" 1
8 1 4 CYS H 1 4 CYS HB3 . . 3.890 3.442 3.164 3.790 . 0 0 "[ . 1 . 2]" 1
9 1 4 CYS H 1 5 LYS H . . 4.610 4.402 4.373 4.456 . 0 0 "[ . 1 . 2]" 1
10 1 4 CYS HA 1 53 TYR H . . 4.890 4.943 4.767 5.102 0.212 8 0 "[ . 1 . 2]" 1
11 1 4 CYS QB 1 5 LYS H . . 3.430 2.992 2.974 3.016 . 0 0 "[ . 1 . 2]" 1
12 1 4 CYS QB 1 54 CYS H . . 5.030 4.913 4.319 5.091 0.061 8 0 "[ . 1 . 2]" 1
13 1 4 CYS HB2 1 5 LYS H . . 4.150 3.225 3.075 3.724 . 0 0 "[ . 1 . 2]" 1
14 1 4 CYS HB3 1 5 LYS H . . 4.150 3.767 3.132 4.019 . 0 0 "[ . 1 . 2]" 1
15 1 5 LYS H 1 5 LYS HB2 . . 4.190 4.031 3.988 4.051 . 0 0 "[ . 1 . 2]" 1
16 1 5 LYS H 1 5 LYS QB . . 3.310 3.251 3.197 3.335 0.025 12 0 "[ . 1 . 2]" 1
17 1 5 LYS H 1 5 LYS HB3 . . 4.190 3.434 3.350 3.573 . 0 0 "[ . 1 . 2]" 1
18 1 5 LYS H 1 5 LYS HD2 . . 4.120 4.016 3.554 4.228 0.108 18 0 "[ . 1 . 2]" 1
19 1 5 LYS H 1 5 LYS QD . . 3.300 3.352 3.315 3.369 0.069 15 0 "[ . 1 . 2]" 1
20 1 5 LYS H 1 5 LYS HD3 . . 4.120 3.699 3.480 4.140 0.020 12 0 "[ . 1 . 2]" 1
21 1 5 LYS H 1 5 LYS QG . . 4.460 2.714 2.504 2.828 . 0 0 "[ . 1 . 2]" 1
22 1 5 LYS H 1 6 LYS H . . 5.500 4.366 4.364 4.367 . 0 0 "[ . 1 . 2]" 1
23 1 5 LYS H 1 50 ILE MG . . 4.940 5.038 4.974 5.119 0.179 14 0 "[ . 1 . 2]" 1
24 1 5 LYS HA 1 5 LYS HD2 . . 5.200 4.429 4.344 4.536 . 0 0 "[ . 1 . 2]" 1
25 1 5 LYS HA 1 5 LYS QD . . 4.510 3.933 3.661 4.066 . 0 0 "[ . 1 . 2]" 1
26 1 5 LYS HA 1 5 LYS HD3 . . 5.200 4.488 3.865 4.769 . 0 0 "[ . 1 . 2]" 1
27 1 5 LYS HA 1 5 LYS HG2 . . 4.010 3.756 3.553 4.221 0.211 12 0 "[ . 1 . 2]" 1
28 1 5 LYS HA 1 5 LYS HG3 . . 4.010 3.923 3.623 4.074 0.064 8 0 "[ . 1 . 2]" 1
29 1 5 LYS HA 1 6 LYS H . . 3.210 2.496 2.452 2.522 . 0 0 "[ . 1 . 2]" 1
30 1 5 LYS HA 1 50 ILE MG . . 4.070 3.757 3.672 3.835 . 0 0 "[ . 1 . 2]" 1
31 1 5 LYS HA 1 52 ASP HA . . 3.790 2.162 2.005 2.463 . 0 0 "[ . 1 . 2]" 1
32 1 5 LYS HA 1 53 TYR H . . 3.800 2.339 2.198 2.477 . 0 0 "[ . 1 . 2]" 1
33 1 5 LYS QB 1 5 LYS QE . . 3.840 3.207 3.054 3.479 . 0 0 "[ . 1 . 2]" 1
34 1 5 LYS QB 1 6 LYS H . . 3.360 2.276 2.158 2.393 . 0 0 "[ . 1 . 2]" 1
35 1 5 LYS QB 1 50 ILE MG . . 2.990 1.902 1.853 1.935 . 0 0 "[ . 1 . 2]" 1
36 1 5 LYS HB2 1 50 ILE MG . . 3.470 1.923 1.873 1.955 . 0 0 "[ . 1 . 2]" 1
37 1 5 LYS HB3 1 50 ILE MG . . 3.470 3.028 2.941 3.084 . 0 0 "[ . 1 . 2]" 1
38 1 5 LYS QD 1 6 LYS H . . 5.060 4.175 2.713 4.844 . 0 0 "[ . 1 . 2]" 1
39 1 5 LYS QD 1 50 ILE MG . . 3.080 2.903 2.155 3.239 0.159 3 0 "[ . 1 . 2]" 1
40 1 5 LYS QE 1 5 LYS QG . . 2.900 2.118 1.970 2.298 . 0 0 "[ . 1 . 2]" 1
41 1 5 LYS QE 1 50 ILE MG . . 3.760 2.342 1.927 2.862 . 0 0 "[ . 1 . 2]" 1
42 1 5 LYS QG 1 6 LYS H . . 3.800 3.418 3.128 4.014 0.214 16 0 "[ . 1 . 2]" 1
43 1 5 LYS HG2 1 50 ILE MG . . 4.420 3.113 2.747 3.287 . 0 0 "[ . 1 . 2]" 1
44 1 5 LYS HG3 1 50 ILE MG . . 4.420 2.504 1.893 3.907 . 0 0 "[ . 1 . 2]" 1
45 1 6 LYS H 1 6 LYS HB2 . . 3.920 2.776 2.719 2.842 . 0 0 "[ . 1 . 2]" 1
46 1 6 LYS H 1 6 LYS QB . . 3.290 2.715 2.664 2.774 . 0 0 "[ . 1 . 2]" 1
47 1 6 LYS H 1 6 LYS HB3 . . 3.920 3.841 3.812 3.875 . 0 0 "[ . 1 . 2]" 1
48 1 6 LYS H 1 6 LYS QG . . 3.710 3.341 3.298 3.394 . 0 0 "[ . 1 . 2]" 1
49 1 6 LYS H 1 50 ILE MG . . 3.310 2.578 2.440 2.740 . 0 0 "[ . 1 . 2]" 1
50 1 6 LYS H 1 51 CYS H . . 3.750 2.744 2.673 2.837 . 0 0 "[ . 1 . 2]" 1
51 1 6 LYS H 1 51 CYS HB2 . . 4.750 3.434 3.339 3.536 . 0 0 "[ . 1 . 2]" 1
52 1 6 LYS H 1 51 CYS QB . . 4.130 3.358 3.265 3.453 . 0 0 "[ . 1 . 2]" 1
53 1 6 LYS H 1 51 CYS HB3 . . 4.750 4.746 4.502 4.833 0.083 4 0 "[ . 1 . 2]" 1
54 1 6 LYS H 1 52 ASP HA . . 4.430 3.725 3.638 3.861 . 0 0 "[ . 1 . 2]" 1
55 1 6 LYS H 1 53 TYR QD . . 5.500 3.887 3.596 4.005 . 0 0 "[ . 1 . 2]" 1
56 1 6 LYS H 1 53 TYR QE . . 5.500 5.445 5.228 5.560 0.060 16 0 "[ . 1 . 2]" 1
57 1 6 LYS HA 1 6 LYS HG2 . . 4.000 2.377 2.348 2.401 . 0 0 "[ . 1 . 2]" 1
58 1 6 LYS HA 1 6 LYS QG . . 3.380 2.308 2.289 2.324 . 0 0 "[ . 1 . 2]" 1
59 1 6 LYS HA 1 6 LYS HG3 . . 4.000 3.125 3.094 3.167 . 0 0 "[ . 1 . 2]" 1
60 1 6 LYS HA 1 7 VAL H . . 2.920 2.145 2.143 2.147 . 0 0 "[ . 1 . 2]" 1
61 1 6 LYS HA 1 7 VAL QG . . 5.290 3.794 3.713 3.893 . 0 0 "[ . 1 . 2]" 1
62 1 6 LYS QB 1 7 VAL H . . 3.720 3.465 3.445 3.480 . 0 0 "[ . 1 . 2]" 1
63 1 6 LYS HB2 1 7 VAL H . . 4.390 4.428 4.415 4.437 0.047 7 0 "[ . 1 . 2]" 1
64 1 6 LYS HB2 1 53 TYR QD . . 5.500 2.490 2.320 2.674 . 0 0 "[ . 1 . 2]" 1
65 1 6 LYS HB2 1 53 TYR QE . . 4.580 3.229 3.006 3.391 . 0 0 "[ . 1 . 2]" 1
66 1 6 LYS HB3 1 7 VAL H . . 4.390 3.619 3.595 3.637 . 0 0 "[ . 1 . 2]" 1
67 1 6 LYS HB3 1 53 TYR QD . . 5.500 4.017 3.847 4.221 . 0 0 "[ . 1 . 2]" 1
68 1 6 LYS HB3 1 53 TYR QE . . 4.580 4.211 3.946 4.374 . 0 0 "[ . 1 . 2]" 1
69 1 6 LYS QE 1 6 LYS QG . . 2.730 2.107 1.970 2.407 . 0 0 "[ . 1 . 2]" 1
70 1 6 LYS HE2 1 6 LYS HG2 . . 4.110 2.767 2.029 3.528 . 0 0 "[ . 1 . 2]" 1
71 1 6 LYS HE2 1 6 LYS HG3 . . 4.110 3.517 2.101 4.103 . 0 0 "[ . 1 . 2]" 1
72 1 6 LYS HE3 1 6 LYS HG2 . . 4.110 2.728 2.029 3.927 . 0 0 "[ . 1 . 2]" 1
73 1 6 LYS HE3 1 6 LYS HG3 . . 4.110 3.531 3.329 4.091 . 0 0 "[ . 1 . 2]" 1
74 1 6 LYS QG 1 7 VAL H . . 4.110 4.127 4.123 4.131 0.021 6 0 "[ . 1 . 2]" 1
75 1 6 LYS HG2 1 53 TYR QD . . 5.500 4.198 3.996 4.419 . 0 0 "[ . 1 . 2]" 1
76 1 6 LYS HG2 1 53 TYR QE . . 5.500 5.268 4.978 5.487 . 0 0 "[ . 1 . 2]" 1
77 1 6 LYS HG3 1 53 TYR QD . . 5.500 2.673 2.424 2.899 . 0 0 "[ . 1 . 2]" 1
78 1 6 LYS HG3 1 53 TYR QE . . 5.500 4.300 3.980 4.524 . 0 0 "[ . 1 . 2]" 1
79 1 7 VAL H 1 7 VAL HB . . 3.780 2.497 2.443 2.583 . 0 0 "[ . 1 . 2]" 1
80 1 7 VAL H 1 7 VAL MG1 . . 3.810 2.829 2.078 3.765 . 0 0 "[ . 1 . 2]" 1
81 1 7 VAL H 1 7 VAL QG . . 3.220 2.236 2.069 2.346 . 0 0 "[ . 1 . 2]" 1
82 1 7 VAL H 1 7 VAL MG2 . . 3.810 3.189 2.240 3.778 . 0 0 "[ . 1 . 2]" 1
83 1 7 VAL H 1 50 ILE QG . . 4.070 3.909 3.720 4.078 0.008 14 0 "[ . 1 . 2]" 1
84 1 7 VAL H 1 50 ILE MG . . 4.760 3.899 3.696 4.135 . 0 0 "[ . 1 . 2]" 1
85 1 7 VAL HA 1 7 VAL MG1 . . 3.600 2.854 2.326 3.199 . 0 0 "[ . 1 . 2]" 1
86 1 7 VAL HA 1 7 VAL QG . . 3.140 2.122 2.094 2.179 . 0 0 "[ . 1 . 2]" 1
87 1 7 VAL HA 1 7 VAL MG2 . . 3.600 2.249 2.129 2.391 . 0 0 "[ . 1 . 2]" 1
88 1 7 VAL HA 1 8 TYR H . . 3.370 2.225 2.205 2.269 . 0 0 "[ . 1 . 2]" 1
89 1 7 VAL HA 1 50 ILE H . . 4.430 4.301 4.225 4.382 . 0 0 "[ . 1 . 2]" 1
90 1 7 VAL HA 1 50 ILE HA . . 4.330 1.971 1.937 2.023 . 0 0 "[ . 1 . 2]" 1
91 1 7 VAL HA 1 50 ILE QG . . 3.880 2.265 2.013 2.526 . 0 0 "[ . 1 . 2]" 1
92 1 7 VAL HA 1 50 ILE MG . . 4.650 3.354 3.115 3.556 . 0 0 "[ . 1 . 2]" 1
93 1 7 VAL HA 1 51 CYS H . . 3.990 3.376 3.235 3.463 . 0 0 "[ . 1 . 2]" 1
94 1 7 VAL HB 1 8 TYR H . . 3.990 4.059 3.956 4.116 0.126 18 0 "[ . 1 . 2]" 1
95 1 7 VAL QG 1 8 TYR H . . 3.410 2.067 1.971 2.102 . 0 0 "[ . 1 . 2]" 1
96 1 7 VAL QG 1 8 TYR HA . . 3.780 3.555 3.442 3.685 . 0 0 "[ . 1 . 2]" 1
97 1 7 VAL QG 1 8 TYR QB . . 3.780 3.779 3.678 3.834 0.054 1 0 "[ . 1 . 2]" 1
98 1 7 VAL QG 1 9 GLU H . . 4.030 2.911 2.702 3.156 . 0 0 "[ . 1 . 2]" 1
99 1 7 VAL QG 1 9 GLU HA . . 3.530 3.367 3.123 3.541 0.011 2 0 "[ . 1 . 2]" 1
100 1 7 VAL QG 1 9 GLU HB2 . . 4.340 4.367 4.230 4.414 0.074 1 0 "[ . 1 . 2]" 1
101 1 7 VAL QG 1 9 GLU HB3 . . 4.340 4.368 4.252 4.416 0.076 1 0 "[ . 1 . 2]" 1
102 1 7 VAL QG 1 9 GLU QG . . 3.370 2.299 2.195 2.498 . 0 0 "[ . 1 . 2]" 1
103 1 7 VAL QG 1 48 GLN HA . . 4.130 4.108 3.958 4.208 0.078 20 0 "[ . 1 . 2]" 1
104 1 7 VAL QG 1 48 GLN HB2 . . 4.480 2.296 1.968 2.516 . 0 0 "[ . 1 . 2]" 1
105 1 7 VAL QG 1 48 GLN QE . . 3.330 2.169 1.808 2.526 . 0 0 "[ . 1 . 2]" 1
106 1 7 VAL QG 1 48 GLN QG . . 3.760 3.084 2.754 3.336 . 0 0 "[ . 1 . 2]" 1
107 1 7 VAL QG 1 49 CYS H . . 4.280 3.635 3.317 3.891 . 0 0 "[ . 1 . 2]" 1
108 1 7 VAL QG 1 50 ILE HA . . 3.890 3.235 3.066 3.394 . 0 0 "[ . 1 . 2]" 1
109 1 7 VAL MG1 1 8 TYR H . . 3.880 3.014 2.071 3.729 . 0 0 "[ . 1 . 2]" 1
110 1 7 VAL MG1 1 9 GLU HG2 . . 5.110 2.634 2.419 2.917 . 0 0 "[ . 1 . 2]" 1
111 1 7 VAL MG1 1 9 GLU HG3 . . 5.110 2.796 2.517 3.694 . 0 0 "[ . 1 . 2]" 1
112 1 7 VAL MG1 1 48 GLN HB2 . . 5.230 3.764 2.310 4.887 . 0 0 "[ . 1 . 2]" 1
113 1 7 VAL MG1 1 48 GLN HB3 . . 4.280 3.456 2.062 4.348 0.068 13 0 "[ . 1 . 2]" 1
114 1 7 VAL MG1 1 48 GLN HE21 . . 4.270 3.484 2.548 4.333 0.063 4 0 "[ . 1 . 2]" 1
115 1 7 VAL MG1 1 48 GLN HE22 . . 4.270 3.371 2.450 4.309 0.039 11 0 "[ . 1 . 2]" 1
116 1 7 VAL MG2 1 8 TYR H . . 3.880 2.791 1.979 3.885 0.005 3 0 "[ . 1 . 2]" 1
117 1 7 VAL MG2 1 9 GLU HG2 . . 5.110 3.815 2.718 5.042 . 0 0 "[ . 1 . 2]" 1
118 1 7 VAL MG2 1 9 GLU HG3 . . 5.110 4.323 3.342 5.115 0.005 20 0 "[ . 1 . 2]" 1
119 1 7 VAL MG2 1 48 GLN HB2 . . 5.230 2.728 1.970 3.599 . 0 0 "[ . 1 . 2]" 1
120 1 7 VAL MG2 1 48 GLN HB3 . . 4.280 2.872 1.944 4.272 . 0 0 "[ . 1 . 2]" 1
121 1 7 VAL MG2 1 48 GLN HE21 . . 4.270 2.808 1.826 3.949 . 0 0 "[ . 1 . 2]" 1
122 1 7 VAL MG2 1 48 GLN HE22 . . 4.270 3.186 2.489 4.072 . 0 0 "[ . 1 . 2]" 1
123 1 8 TYR H 1 8 TYR HB2 . . 3.420 2.718 2.496 2.824 . 0 0 "[ . 1 . 2]" 1
124 1 8 TYR H 1 8 TYR QB . . 2.990 2.452 2.378 2.476 . 0 0 "[ . 1 . 2]" 1
125 1 8 TYR H 1 8 TYR HB3 . . 3.420 2.818 2.732 2.994 . 0 0 "[ . 1 . 2]" 1
126 1 8 TYR H 1 8 TYR QD . . 4.200 4.287 4.255 4.305 0.105 16 0 "[ . 1 . 2]" 1
127 1 8 TYR H 1 49 CYS QB . . 4.180 3.438 3.143 3.652 . 0 0 "[ . 1 . 2]" 1
128 1 8 TYR H 1 50 ILE HA . . 3.960 3.216 2.958 3.437 . 0 0 "[ . 1 . 2]" 1
129 1 8 TYR H 1 50 ILE MD . . 5.480 4.733 4.468 5.014 . 0 0 "[ . 1 . 2]" 1
130 1 8 TYR H 1 50 ILE QG . . 4.320 3.486 3.272 3.773 . 0 0 "[ . 1 . 2]" 1
131 1 8 TYR H 1 50 ILE MG . . 5.500 5.041 4.771 5.260 . 0 0 "[ . 1 . 2]" 1
132 1 8 TYR HA 1 8 TYR QD . . 3.670 1.994 1.907 2.176 . 0 0 "[ . 1 . 2]" 1
133 1 8 TYR HA 1 9 GLU H . . 3.490 2.303 2.231 2.398 . 0 0 "[ . 1 . 2]" 1
134 1 8 TYR HA 1 32 LYS HE2 . . 4.720 4.775 4.737 4.808 0.088 5 0 "[ . 1 . 2]" 1
135 1 8 TYR HA 1 32 LYS HE3 . . 4.720 4.563 4.259 4.788 0.068 8 0 "[ . 1 . 2]" 1
136 1 8 TYR QB 1 9 GLU H . . 3.900 4.002 3.951 4.029 0.129 9 0 "[ . 1 . 2]" 1
137 1 8 TYR QB 1 49 CYS H . . 4.190 3.259 2.954 3.495 . 0 0 "[ . 1 . 2]" 1
138 1 8 TYR QB 1 49 CYS QB . . 3.220 1.936 1.869 1.970 . 0 0 "[ . 1 . 2]" 1
139 1 8 TYR HB2 1 9 GLU H . . 4.490 4.643 4.621 4.668 0.178 7 0 "[ . 1 . 2]" 1
140 1 8 TYR HB3 1 9 GLU H . . 4.490 4.371 4.269 4.420 . 0 0 "[ . 1 . 2]" 1
141 1 8 TYR QD 1 9 GLU H . . 3.660 3.512 2.916 3.726 0.066 20 0 "[ . 1 . 2]" 1
142 1 8 TYR QD 1 10 ASN H . . 5.010 2.907 1.893 3.494 . 0 0 "[ . 1 . 2]" 1
143 1 8 TYR QD 1 32 LYS HE2 . . 4.790 3.371 3.026 3.853 . 0 0 "[ . 1 . 2]" 1
144 1 8 TYR QD 1 32 LYS QE . . 4.110 2.767 2.458 2.890 . 0 0 "[ . 1 . 2]" 1
145 1 8 TYR QD 1 32 LYS HE3 . . 4.790 3.041 2.493 3.332 . 0 0 "[ . 1 . 2]" 1
146 1 8 TYR QD 1 32 LYS HG2 . . 5.500 5.437 5.237 5.524 0.024 9 0 "[ . 1 . 2]" 1
147 1 8 TYR QD 1 32 LYS HG3 . . 5.500 4.912 4.263 5.232 . 0 0 "[ . 1 . 2]" 1
148 1 8 TYR QE 1 32 LYS HE2 . . 4.840 3.294 3.046 3.554 . 0 0 "[ . 1 . 2]" 1
149 1 8 TYR QE 1 32 LYS QE . . 4.230 2.945 2.534 3.342 . 0 0 "[ . 1 . 2]" 1
150 1 8 TYR QE 1 32 LYS HE3 . . 4.840 3.512 2.641 4.064 . 0 0 "[ . 1 . 2]" 1
151 1 9 GLU H 1 9 GLU HA . . 2.690 2.797 2.749 2.847 0.157 2 0 "[ . 1 . 2]" 1
152 1 9 GLU H 1 9 GLU HB2 . . 3.390 2.667 2.639 2.711 . 0 0 "[ . 1 . 2]" 1
153 1 9 GLU H 1 9 GLU HB3 . . 3.980 3.586 3.579 3.598 . 0 0 "[ . 1 . 2]" 1
154 1 9 GLU H 1 9 GLU HG2 . . 3.720 2.822 1.939 3.126 . 0 0 "[ . 1 . 2]" 1
155 1 9 GLU H 1 9 GLU HG3 . . 3.720 2.192 1.954 3.499 . 0 0 "[ . 1 . 2]" 1
156 1 9 GLU HA 1 9 GLU HG2 . . 3.860 2.670 2.543 3.244 . 0 0 "[ . 1 . 2]" 1
157 1 9 GLU HA 1 9 GLU QG . . 3.070 2.572 2.463 3.072 0.002 13 0 "[ . 1 . 2]" 1
158 1 9 GLU HA 1 9 GLU HG3 . . 3.860 3.379 3.226 3.808 . 0 0 "[ . 1 . 2]" 1
159 1 9 GLU HA 1 10 ASN H . . 3.330 3.413 3.338 3.495 0.165 19 0 "[ . 1 . 2]" 1
160 1 9 GLU HB2 1 10 ASN H . . 4.300 3.139 2.820 3.371 . 0 0 "[ . 1 . 2]" 1
161 1 9 GLU HB2 1 10 ASN HD21 . . 5.500 3.171 2.548 3.797 . 0 0 "[ . 1 . 2]" 1
162 1 9 GLU HB2 1 10 ASN HD22 . . 5.500 3.585 3.015 4.150 . 0 0 "[ . 1 . 2]" 1
163 1 9 GLU HB3 1 10 ASN H . . 4.370 4.145 3.935 4.301 . 0 0 "[ . 1 . 2]" 1
164 1 9 GLU HB3 1 10 ASN HD21 . . 5.500 4.512 3.862 5.384 . 0 0 "[ . 1 . 2]" 1
165 1 9 GLU HB3 1 10 ASN HD22 . . 5.500 4.951 4.214 5.444 . 0 0 "[ . 1 . 2]" 1
166 1 9 GLU QG 1 10 ASN H . . 4.060 4.031 3.930 4.077 0.017 15 0 "[ . 1 . 2]" 1
167 1 9 GLU QG 1 10 ASN QD . . 4.760 4.325 4.023 4.769 0.009 18 0 "[ . 1 . 2]" 1
168 1 10 ASN H 1 10 ASN HB2 . . 4.010 2.449 2.240 2.803 . 0 0 "[ . 1 . 2]" 1
169 1 10 ASN H 1 10 ASN QB . . 3.490 2.407 2.216 2.721 . 0 0 "[ . 1 . 2]" 1
170 1 10 ASN H 1 10 ASN HB3 . . 4.010 3.608 3.527 3.750 . 0 0 "[ . 1 . 2]" 1
171 1 10 ASN H 1 11 TYR H . . 3.390 3.319 3.166 3.461 0.071 19 0 "[ . 1 . 2]" 1
172 1 10 ASN HA 1 11 TYR H . . 3.570 2.655 2.513 2.746 . 0 0 "[ . 1 . 2]" 1
173 1 10 ASN QB 1 10 ASN QD . . 2.990 2.374 2.121 2.576 . 0 0 "[ . 1 . 2]" 1
174 1 10 ASN QB 1 11 TYR H . . 3.820 3.901 3.878 3.916 0.096 7 0 "[ . 1 . 2]" 1
175 1 10 ASN HB2 1 11 TYR H . . 4.440 4.365 4.271 4.424 . 0 0 "[ . 1 . 2]" 1
176 1 10 ASN HB3 1 11 TYR H . . 4.440 4.396 4.350 4.504 0.064 3 0 "[ . 1 . 2]" 1
177 1 11 TYR H 1 11 TYR HB2 . . 3.910 2.958 2.893 3.048 . 0 0 "[ . 1 . 2]" 1
178 1 11 TYR H 1 11 TYR QB . . 3.400 2.744 2.726 2.763 . 0 0 "[ . 1 . 2]" 1
179 1 11 TYR H 1 11 TYR HB3 . . 3.910 3.255 3.145 3.337 . 0 0 "[ . 1 . 2]" 1
180 1 11 TYR H 1 11 TYR QD . . 4.690 4.361 4.271 4.472 . 0 0 "[ . 1 . 2]" 1
181 1 11 TYR HA 1 12 PRO HD2 . . 3.850 2.206 2.182 2.231 . 0 0 "[ . 1 . 2]" 1
182 1 11 TYR HA 1 12 PRO HD3 . . 3.850 2.252 2.250 2.254 . 0 0 "[ . 1 . 2]" 1
183 1 11 TYR QB 1 49 CYS H . . 3.420 3.089 2.879 3.262 . 0 0 "[ . 1 . 2]" 1
184 1 11 TYR QB 1 49 CYS QB . . 3.080 2.438 2.266 2.612 . 0 0 "[ . 1 . 2]" 1
185 1 11 TYR HB2 1 49 CYS H . . 3.920 3.973 3.943 4.019 0.099 14 0 "[ . 1 . 2]" 1
186 1 11 TYR HB2 1 49 CYS HB2 . . 4.230 3.583 3.073 4.042 . 0 0 "[ . 1 . 2]" 1
187 1 11 TYR HB2 1 49 CYS HB3 . . 4.230 3.127 2.860 3.449 . 0 0 "[ . 1 . 2]" 1
188 1 11 TYR HB3 1 49 CYS H . . 3.920 3.224 2.957 3.465 . 0 0 "[ . 1 . 2]" 1
189 1 11 TYR HB3 1 49 CYS HB2 . . 4.230 2.819 2.417 3.199 . 0 0 "[ . 1 . 2]" 1
190 1 11 TYR HB3 1 49 CYS HB3 . . 4.230 3.214 2.870 3.596 . 0 0 "[ . 1 . 2]" 1
191 1 11 TYR QE 1 15 LYS HB2 . . 3.680 3.649 3.304 3.710 0.030 15 0 "[ . 1 . 2]" 1
192 1 11 TYR QE 1 15 LYS HB3 . . 3.680 2.977 2.869 3.188 . 0 0 "[ . 1 . 2]" 1
193 1 11 TYR QE 1 24 CYS QB . . 4.390 2.977 2.374 3.732 . 0 0 "[ . 1 . 2]" 1
194 1 11 TYR QE 1 27 ASP HB2 . . 3.840 3.345 2.945 3.844 0.004 10 0 "[ . 1 . 2]" 1
195 1 11 TYR QE 1 27 ASP QB . . 3.310 3.001 2.723 3.313 0.003 8 0 "[ . 1 . 2]" 1
196 1 11 TYR QE 1 27 ASP HB3 . . 3.840 3.413 3.143 3.665 . 0 0 "[ . 1 . 2]" 1
197 1 12 PRO HA 1 13 VAL H . . 3.360 2.152 2.150 2.156 . 0 0 "[ . 1 . 2]" 1
198 1 12 PRO HA 1 13 VAL MG1 . . 5.200 3.650 3.593 3.684 . 0 0 "[ . 1 . 2]" 1
199 1 12 PRO HA 1 13 VAL QG . . 4.440 3.374 3.353 3.400 . 0 0 "[ . 1 . 2]" 1
200 1 12 PRO HA 1 13 VAL MG2 . . 5.200 3.974 3.894 4.056 . 0 0 "[ . 1 . 2]" 1
201 1 12 PRO HA 1 14 SER H . . 3.450 3.520 3.496 3.557 0.107 13 0 "[ . 1 . 2]" 1
202 1 12 PRO QB 1 13 VAL H . . 3.680 3.404 3.339 3.475 . 0 0 "[ . 1 . 2]" 1
203 1 12 PRO QB 1 14 SER H . . 3.540 2.658 2.589 2.740 . 0 0 "[ . 1 . 2]" 1
204 1 12 PRO QB 1 15 LYS H . . 3.730 2.620 2.539 2.736 . 0 0 "[ . 1 . 2]" 1
205 1 12 PRO QB 1 15 LYS QE . . 4.320 4.010 3.567 4.267 . 0 0 "[ . 1 . 2]" 1
206 1 12 PRO HB2 1 13 VAL H . . 4.330 3.646 3.567 3.733 . 0 0 "[ . 1 . 2]" 1
207 1 12 PRO HB2 1 14 SER H . . 4.080 2.696 2.622 2.784 . 0 0 "[ . 1 . 2]" 1
208 1 12 PRO HB2 1 15 LYS H . . 4.570 2.640 2.557 2.760 . 0 0 "[ . 1 . 2]" 1
209 1 12 PRO HB3 1 13 VAL H . . 4.330 4.078 4.023 4.140 . 0 0 "[ . 1 . 2]" 1
210 1 12 PRO HB3 1 14 SER H . . 4.080 4.047 4.016 4.086 0.006 3 0 "[ . 1 . 2]" 1
211 1 12 PRO HB3 1 15 LYS H . . 4.570 4.384 4.306 4.496 . 0 0 "[ . 1 . 2]" 1
212 1 12 PRO QD 1 15 LYS QD . . 5.180 4.244 3.880 4.569 . 0 0 "[ . 1 . 2]" 1
213 1 12 PRO QD 1 15 LYS QE . . 3.640 3.546 3.152 3.652 0.012 8 0 "[ . 1 . 2]" 1
214 1 12 PRO QG 1 15 LYS QE . . 3.270 2.461 1.927 2.659 . 0 0 "[ . 1 . 2]" 1
215 1 13 VAL H 1 13 VAL HB . . 3.800 3.608 3.604 3.614 . 0 0 "[ . 1 . 2]" 1
216 1 13 VAL H 1 13 VAL MG1 . . 2.900 2.067 2.034 2.100 . 0 0 "[ . 1 . 2]" 1
217 1 13 VAL H 1 13 VAL MG2 . . 2.900 2.327 2.237 2.435 . 0 0 "[ . 1 . 2]" 1
218 1 13 VAL HA 1 13 VAL MG1 . . 3.580 2.379 2.363 2.407 . 0 0 "[ . 1 . 2]" 1
219 1 13 VAL HA 1 13 VAL QG . . 2.860 2.317 2.304 2.340 . 0 0 "[ . 1 . 2]" 1
220 1 13 VAL HA 1 13 VAL MG2 . . 3.580 3.189 3.180 3.196 . 0 0 "[ . 1 . 2]" 1
221 1 13 VAL HA 1 14 SER H . . 3.430 3.418 3.413 3.431 0.001 3 0 "[ . 1 . 2]" 1
222 1 13 VAL HA 1 16 CYS H . . 3.620 3.392 3.335 3.440 . 0 0 "[ . 1 . 2]" 1
223 1 13 VAL HA 1 16 CYS HB2 . . 3.940 2.424 2.322 2.453 . 0 0 "[ . 1 . 2]" 1
224 1 13 VAL HA 1 16 CYS QB . . 3.320 2.403 2.303 2.431 . 0 0 "[ . 1 . 2]" 1
225 1 13 VAL HA 1 16 CYS HB3 . . 3.940 3.942 3.805 3.981 0.041 12 0 "[ . 1 . 2]" 1
226 1 13 VAL HB 1 14 SER H . . 4.470 4.167 4.131 4.189 . 0 0 "[ . 1 . 2]" 1
227 1 13 VAL HB 1 47 LEU MD1 . . 4.990 4.054 3.844 4.229 . 0 0 "[ . 1 . 2]" 1
228 1 13 VAL HB 1 47 LEU QD . . 4.030 3.815 3.659 3.919 . 0 0 "[ . 1 . 2]" 1
229 1 13 VAL HB 1 47 LEU MD2 . . 4.990 4.655 4.571 4.751 . 0 0 "[ . 1 . 2]" 1
230 1 13 VAL QG 1 14 SER HA . . 4.440 3.138 3.079 3.210 . 0 0 "[ . 1 . 2]" 1
231 1 13 VAL QG 1 16 CYS H . . 4.450 4.434 4.407 4.465 0.015 20 0 "[ . 1 . 2]" 1
232 1 13 VAL QG 1 16 CYS QB . . 4.590 3.775 3.722 3.819 . 0 0 "[ . 1 . 2]" 1
233 1 13 VAL QG 1 17 GLN QE . . 4.140 2.778 1.888 4.176 0.036 8 0 "[ . 1 . 2]" 1
234 1 13 VAL QG 1 47 LEU QD . . 3.800 3.862 3.767 3.928 0.128 13 0 "[ . 1 . 2]" 1
235 1 13 VAL MG1 1 14 SER H . . 3.880 3.915 3.882 3.935 0.055 9 0 "[ . 1 . 2]" 1
236 1 13 VAL MG2 1 14 SER H . . 3.880 2.380 2.231 2.501 . 0 0 "[ . 1 . 2]" 1
237 1 14 SER H 1 14 SER HB2 . . 3.310 2.076 2.072 2.079 . 0 0 "[ . 1 . 2]" 1
238 1 14 SER H 1 14 SER QB . . 2.870 2.054 2.051 2.057 . 0 0 "[ . 1 . 2]" 1
239 1 14 SER H 1 14 SER HB3 . . 3.310 3.270 3.263 3.279 . 0 0 "[ . 1 . 2]" 1
240 1 14 SER H 1 15 LYS H . . 3.350 2.756 2.727 2.799 . 0 0 "[ . 1 . 2]" 1
241 1 14 SER H 1 15 LYS QB . . 4.370 4.403 4.376 4.443 0.073 3 0 "[ . 1 . 2]" 1
242 1 14 SER HA 1 14 SER HB2 . . 2.850 2.852 2.851 2.854 0.004 15 0 "[ . 1 . 2]" 1
243 1 14 SER HA 1 14 SER HB3 . . 2.850 2.853 2.851 2.854 0.004 12 0 "[ . 1 . 2]" 1
244 1 14 SER HA 1 16 CYS H . . 5.120 3.963 3.845 4.123 . 0 0 "[ . 1 . 2]" 1
245 1 14 SER HA 1 17 GLN H . . 3.570 3.511 3.402 3.596 0.026 3 0 "[ . 1 . 2]" 1
246 1 14 SER HB2 1 15 LYS H . . 3.650 2.993 2.969 3.012 . 0 0 "[ . 1 . 2]" 1
247 1 14 SER HB3 1 15 LYS H . . 3.650 2.627 2.583 2.674 . 0 0 "[ . 1 . 2]" 1
248 1 15 LYS H 1 15 LYS HB2 . . 3.310 2.109 2.099 2.136 . 0 0 "[ . 1 . 2]" 1
249 1 15 LYS H 1 15 LYS HB3 . . 3.310 3.419 3.404 3.453 0.143 20 0 "[ . 1 . 2]" 1
250 1 15 LYS H 1 15 LYS QD . . 4.450 4.467 4.398 4.485 0.035 11 0 "[ . 1 . 2]" 1
251 1 15 LYS H 1 15 LYS HG2 . . 3.940 3.969 3.956 3.992 0.052 5 0 "[ . 1 . 2]" 1
252 1 15 LYS H 1 15 LYS QG . . 3.420 3.056 2.952 3.095 . 0 0 "[ . 1 . 2]" 1
253 1 15 LYS H 1 15 LYS HG3 . . 3.940 3.178 3.045 3.230 . 0 0 "[ . 1 . 2]" 1
254 1 15 LYS HA 1 15 LYS QD . . 4.320 3.823 3.792 3.881 . 0 0 "[ . 1 . 2]" 1
255 1 15 LYS HA 1 15 LYS HG2 . . 3.420 2.224 2.192 2.297 . 0 0 "[ . 1 . 2]" 1
256 1 15 LYS HA 1 15 LYS HG3 . . 3.420 2.875 2.818 2.910 . 0 0 "[ . 1 . 2]" 1
257 1 15 LYS HA 1 16 CYS H . . 3.560 3.454 3.426 3.490 . 0 0 "[ . 1 . 2]" 1
258 1 15 LYS HA 1 18 LEU H . . 3.870 3.497 3.266 3.601 . 0 0 "[ . 1 . 2]" 1
259 1 15 LYS HA 1 18 LEU HB2 . . 3.880 2.503 2.457 2.545 . 0 0 "[ . 1 . 2]" 1
260 1 15 LYS HA 1 18 LEU HB3 . . 3.940 3.970 3.886 4.030 0.090 10 0 "[ . 1 . 2]" 1
261 1 15 LYS HA 1 18 LEU MD1 . . 4.080 1.932 1.891 2.036 . 0 0 "[ . 1 . 2]" 1
262 1 15 LYS HA 1 18 LEU MD2 . . 4.330 4.361 4.344 4.398 0.068 9 0 "[ . 1 . 2]" 1
263 1 15 LYS HA 1 18 LEU HG . . 3.950 3.611 3.365 3.883 . 0 0 "[ . 1 . 2]" 1
264 1 15 LYS QB 1 15 LYS QD . . 2.820 2.047 2.040 2.080 . 0 0 "[ . 1 . 2]" 1
265 1 15 LYS QB 1 15 LYS QE . . 3.450 2.933 2.791 3.053 . 0 0 "[ . 1 . 2]" 1
266 1 15 LYS QB 1 16 CYS H . . 3.570 3.000 2.886 3.077 . 0 0 "[ . 1 . 2]" 1
267 1 15 LYS QB 1 23 GLN H . . 3.850 3.458 3.257 3.700 . 0 0 "[ . 1 . 2]" 1
268 1 15 LYS HB2 1 15 LYS HD2 . . 3.820 2.698 2.628 2.721 . 0 0 "[ . 1 . 2]" 1
269 1 15 LYS HB2 1 15 LYS HD3 . . 3.820 3.816 3.776 3.831 0.011 11 0 "[ . 1 . 2]" 1
270 1 15 LYS HB2 1 15 LYS HE2 . . 4.910 3.607 3.065 4.008 . 0 0 "[ . 1 . 2]" 1
271 1 15 LYS HB2 1 15 LYS HE3 . . 4.910 3.578 2.969 4.530 . 0 0 "[ . 1 . 2]" 1
272 1 15 LYS HB3 1 15 LYS HD2 . . 3.820 2.168 2.153 2.232 . 0 0 "[ . 1 . 2]" 1
273 1 15 LYS HB3 1 15 LYS HD3 . . 3.820 3.156 3.063 3.228 . 0 0 "[ . 1 . 2]" 1
274 1 15 LYS HB3 1 15 LYS HE2 . . 4.910 4.206 3.837 4.516 . 0 0 "[ . 1 . 2]" 1
275 1 15 LYS HB3 1 15 LYS HE3 . . 4.910 4.057 3.830 4.531 . 0 0 "[ . 1 . 2]" 1
276 1 15 LYS QE 1 15 LYS QG . . 3.280 2.097 1.960 2.410 . 0 0 "[ . 1 . 2]" 1
277 1 15 LYS QG 1 23 GLN H . . 4.070 3.846 3.614 4.080 0.010 5 0 "[ . 1 . 2]" 1
278 1 15 LYS QG 1 23 GLN QB . . 3.540 3.059 2.701 3.387 . 0 0 "[ . 1 . 2]" 1
279 1 16 CYS H 1 16 CYS HA . . 2.920 2.855 2.841 2.871 . 0 0 "[ . 1 . 2]" 1
280 1 16 CYS H 1 16 CYS HB2 . . 3.430 2.162 2.131 2.214 . 0 0 "[ . 1 . 2]" 1
281 1 16 CYS H 1 16 CYS HB3 . . 3.430 3.468 3.437 3.514 0.084 14 0 "[ . 1 . 2]" 1
282 1 16 CYS H 1 17 GLN H . . 4.030 2.593 2.511 2.656 . 0 0 "[ . 1 . 2]" 1
283 1 16 CYS H 1 47 LEU QD . . 5.440 4.766 4.656 4.852 . 0 0 "[ . 1 . 2]" 1
284 1 16 CYS HA 1 16 CYS QB . . 2.550 2.499 2.476 2.513 . 0 0 "[ . 1 . 2]" 1
285 1 16 CYS QB 1 17 GLN H . . 3.190 2.589 2.471 2.848 . 0 0 "[ . 1 . 2]" 1
286 1 16 CYS QB 1 39 CYS QB . . 3.150 2.215 2.001 2.362 . 0 0 "[ . 1 . 2]" 1
287 1 16 CYS QB 1 47 LEU QB . . 3.820 2.991 2.711 3.182 . 0 0 "[ . 1 . 2]" 1
288 1 16 CYS QB 1 47 LEU QD . . 2.960 2.268 2.109 2.351 . 0 0 "[ . 1 . 2]" 1
289 1 16 CYS QB 1 47 LEU HG . . 5.340 4.813 4.617 4.912 . 0 0 "[ . 1 . 2]" 1
290 1 16 CYS HB2 1 17 GLN H . . 3.780 2.761 2.618 2.992 . 0 0 "[ . 1 . 2]" 1
291 1 16 CYS HB2 1 47 LEU HB2 . . 5.500 5.081 4.659 5.343 . 0 0 "[ . 1 . 2]" 1
292 1 16 CYS HB2 1 47 LEU HB3 . . 5.500 3.493 3.150 3.702 . 0 0 "[ . 1 . 2]" 1
293 1 16 CYS HB2 1 47 LEU MD1 . . 3.940 3.956 3.828 3.986 0.046 17 0 "[ . 1 . 2]" 1
294 1 16 CYS HB2 1 47 LEU MD2 . . 3.940 3.623 3.448 3.747 . 0 0 "[ . 1 . 2]" 1
295 1 16 CYS HB3 1 17 GLN H . . 3.780 3.137 2.922 3.575 . 0 0 "[ . 1 . 2]" 1
296 1 16 CYS HB3 1 47 LEU HB2 . . 5.500 4.898 4.521 5.130 . 0 0 "[ . 1 . 2]" 1
297 1 16 CYS HB3 1 47 LEU HB3 . . 5.500 3.346 2.963 3.576 . 0 0 "[ . 1 . 2]" 1
298 1 16 CYS HB3 1 47 LEU MD1 . . 3.940 3.101 2.945 3.288 . 0 0 "[ . 1 . 2]" 1
299 1 16 CYS HB3 1 47 LEU MD2 . . 3.940 2.382 2.173 2.499 . 0 0 "[ . 1 . 2]" 1
300 1 17 GLN H 1 17 GLN HB2 . . 3.360 2.407 2.333 2.445 . 0 0 "[ . 1 . 2]" 1
301 1 17 GLN H 1 17 GLN HB3 . . 3.570 3.584 3.571 3.607 0.037 14 0 "[ . 1 . 2]" 1
302 1 17 GLN H 1 17 GLN HG2 . . 3.840 3.402 2.429 3.989 0.149 11 0 "[ . 1 . 2]" 1
303 1 17 GLN H 1 17 GLN QG . . 3.340 2.616 2.380 2.768 . 0 0 "[ . 1 . 2]" 1
304 1 17 GLN H 1 17 GLN HG3 . . 3.840 3.053 2.657 3.651 . 0 0 "[ . 1 . 2]" 1
305 1 17 GLN H 1 18 LEU H . . 4.060 2.560 2.350 2.655 . 0 0 "[ . 1 . 2]" 1
306 1 17 GLN H 1 47 LEU MD1 . . 4.760 3.799 3.620 4.106 . 0 0 "[ . 1 . 2]" 1
307 1 17 GLN H 1 47 LEU QD . . 4.010 3.628 3.480 3.882 . 0 0 "[ . 1 . 2]" 1
308 1 17 GLN H 1 47 LEU MD2 . . 4.760 4.603 4.366 4.800 0.040 20 0 "[ . 1 . 2]" 1
309 1 17 GLN HA 1 17 GLN HB3 . . 2.600 2.519 2.502 2.552 . 0 0 "[ . 1 . 2]" 1
310 1 17 GLN HA 1 17 GLN HG2 . . 3.610 3.017 2.643 3.273 . 0 0 "[ . 1 . 2]" 1
311 1 17 GLN HA 1 17 GLN QG . . 3.010 2.439 2.279 2.660 . 0 0 "[ . 1 . 2]" 1
312 1 17 GLN HA 1 17 GLN HG3 . . 3.610 2.917 2.325 3.757 0.147 20 0 "[ . 1 . 2]" 1
313 1 17 GLN HA 1 18 LEU H . . 3.310 3.387 3.363 3.411 0.101 3 0 "[ . 1 . 2]" 1
314 1 17 GLN HA 1 47 LEU QD . . 5.170 2.993 2.791 3.194 . 0 0 "[ . 1 . 2]" 1
315 1 17 GLN HB2 1 18 LEU H . . 3.920 3.245 3.179 3.321 . 0 0 "[ . 1 . 2]" 1
316 1 17 GLN HB3 1 17 GLN QG . . 2.620 2.259 2.129 2.472 . 0 0 "[ . 1 . 2]" 1
317 1 17 GLN HB3 1 18 LEU H . . 4.060 4.041 3.980 4.067 0.007 14 0 "[ . 1 . 2]" 1
318 1 17 GLN QE 1 47 LEU QD . . 3.720 1.994 1.879 2.156 . 0 0 "[ . 1 . 2]" 1
319 1 17 GLN HE21 1 47 LEU MD1 . . 4.990 2.095 1.894 2.424 . 0 0 "[ . 1 . 2]" 1
320 1 17 GLN HE21 1 47 LEU MD2 . . 4.990 4.263 3.757 5.011 0.021 17 0 "[ . 1 . 2]" 1
321 1 17 GLN HE22 1 47 LEU MD1 . . 4.990 3.045 2.420 3.476 . 0 0 "[ . 1 . 2]" 1
322 1 17 GLN HE22 1 47 LEU MD2 . . 4.990 5.035 5.018 5.074 0.084 8 0 "[ . 1 . 2]" 1
323 1 17 GLN HG2 1 18 LEU H . . 5.500 5.165 4.568 5.552 0.052 11 0 "[ . 1 . 2]" 1
324 1 17 GLN HG3 1 18 LEU H . . 5.500 4.957 4.695 5.383 . 0 0 "[ . 1 . 2]" 1
325 1 18 LEU H 1 18 LEU HB2 . . 3.400 2.120 2.108 2.131 . 0 0 "[ . 1 . 2]" 1
326 1 18 LEU H 1 18 LEU HB3 . . 3.360 3.437 3.425 3.447 0.087 3 0 "[ . 1 . 2]" 1
327 1 18 LEU H 1 18 LEU MD1 . . 4.710 3.599 3.482 3.673 . 0 0 "[ . 1 . 2]" 1
328 1 18 LEU H 1 18 LEU MD2 . . 4.140 4.191 4.154 4.268 0.128 9 0 "[ . 1 . 2]" 1
329 1 18 LEU H 1 18 LEU HG . . 3.840 3.217 3.188 3.271 . 0 0 "[ . 1 . 2]" 1
330 1 18 LEU H 1 19 ARG H . . 4.170 4.043 3.929 4.125 . 0 0 "[ . 1 . 2]" 1
331 1 18 LEU HA 1 18 LEU HB2 . . 2.800 2.945 2.937 2.952 0.152 3 0 "[ . 1 . 2]" 1
332 1 18 LEU HA 1 18 LEU MD1 . . 4.370 3.781 3.755 3.791 . 0 0 "[ . 1 . 2]" 1
333 1 18 LEU HA 1 18 LEU MD2 . . 3.590 2.317 2.225 2.504 . 0 0 "[ . 1 . 2]" 1
334 1 18 LEU HA 1 18 LEU HG . . 3.570 2.490 2.414 2.526 . 0 0 "[ . 1 . 2]" 1
335 1 18 LEU HA 1 19 ARG H . . 3.160 2.304 2.262 2.366 . 0 0 "[ . 1 . 2]" 1
336 1 18 LEU HA 1 20 ILE H . . 3.750 3.235 3.161 3.296 . 0 0 "[ . 1 . 2]" 1
337 1 18 LEU HB2 1 18 LEU MD1 . . 3.310 2.100 2.052 2.147 . 0 0 "[ . 1 . 2]" 1
338 1 18 LEU HB2 1 19 ARG H . . 4.640 4.604 4.588 4.613 . 0 0 "[ . 1 . 2]" 1
339 1 18 LEU HB2 1 20 ILE H . . 5.500 4.956 4.751 5.053 . 0 0 "[ . 1 . 2]" 1
340 1 18 LEU HB2 1 21 ALA H . . 3.940 3.998 3.966 4.048 0.108 13 0 "[ . 1 . 2]" 1
341 1 18 LEU HB2 1 21 ALA MB . . 4.040 4.066 4.050 4.080 0.040 11 0 "[ . 1 . 2]" 1
342 1 18 LEU HB3 1 18 LEU HG . . 2.910 2.995 2.974 3.004 0.094 1 0 "[ . 1 . 2]" 1
343 1 18 LEU HB3 1 19 ARG H . . 4.260 4.113 4.063 4.175 . 0 0 "[ . 1 . 2]" 1
344 1 18 LEU HB3 1 20 ILE H . . 5.500 3.573 3.348 3.687 . 0 0 "[ . 1 . 2]" 1
345 1 18 LEU HB3 1 20 ILE HB . . 4.800 4.212 3.980 4.357 . 0 0 "[ . 1 . 2]" 1
346 1 18 LEU HB3 1 21 ALA MB . . 4.540 2.952 2.908 3.064 . 0 0 "[ . 1 . 2]" 1
347 1 18 LEU MD1 1 19 ARG H . . 5.470 5.535 5.496 5.571 0.101 19 0 "[ . 1 . 2]" 1
348 1 18 LEU MD1 1 20 ILE H . . 5.500 5.317 5.216 5.439 . 0 0 "[ . 1 . 2]" 1
349 1 18 LEU MD1 1 21 ALA MB . . 3.740 3.078 2.938 3.286 . 0 0 "[ . 1 . 2]" 1
350 1 18 LEU MD2 1 19 ARG H . . 4.080 3.860 3.678 4.092 0.012 9 0 "[ . 1 . 2]" 1
351 1 18 LEU MD2 1 20 ILE H . . 4.430 3.097 3.015 3.223 . 0 0 "[ . 1 . 2]" 1
352 1 18 LEU MD2 1 21 ALA MB . . 3.740 2.788 2.675 2.939 . 0 0 "[ . 1 . 2]" 1
353 1 18 LEU HG 1 19 ARG H . . 4.940 4.792 4.737 4.830 . 0 0 "[ . 1 . 2]" 1
354 1 18 LEU HG 1 20 ILE H . . 5.500 5.186 5.030 5.254 . 0 0 "[ . 1 . 2]" 1
355 1 19 ARG H 1 19 ARG HB2 . . 3.810 2.189 2.063 2.545 . 0 0 "[ . 1 . 2]" 1
356 1 19 ARG H 1 19 ARG HB3 . . 3.810 3.411 3.215 3.594 . 0 0 "[ . 1 . 2]" 1
357 1 19 ARG H 1 19 ARG HG2 . . 4.210 3.419 2.103 4.187 . 0 0 "[ . 1 . 2]" 1
358 1 19 ARG H 1 19 ARG QG . . 3.500 3.026 2.083 3.470 . 0 0 "[ . 1 . 2]" 1
359 1 19 ARG H 1 19 ARG HG3 . . 4.210 3.613 2.724 4.184 . 0 0 "[ . 1 . 2]" 1
360 1 19 ARG H 1 20 ILE H . . 3.260 2.617 2.561 2.675 . 0 0 "[ . 1 . 2]" 1
361 1 19 ARG HA 1 19 ARG HD2 . . 4.830 3.681 2.400 4.624 . 0 0 "[ . 1 . 2]" 1
362 1 19 ARG HA 1 19 ARG QD . . 4.040 2.981 2.211 3.863 . 0 0 "[ . 1 . 2]" 1
363 1 19 ARG HA 1 19 ARG HD3 . . 4.830 3.331 2.235 4.498 . 0 0 "[ . 1 . 2]" 1
364 1 19 ARG HA 1 19 ARG QG . . 3.030 2.294 2.041 2.814 . 0 0 "[ . 1 . 2]" 1
365 1 19 ARG HA 1 20 ILE H . . 3.390 3.445 3.413 3.466 0.076 17 0 "[ . 1 . 2]" 1
366 1 19 ARG HB2 1 19 ARG HD2 . . 4.230 3.431 2.656 3.978 . 0 0 "[ . 1 . 2]" 1
367 1 19 ARG HB2 1 19 ARG HD3 . . 4.230 3.594 2.070 4.213 . 0 0 "[ . 1 . 2]" 1
368 1 19 ARG HB2 1 20 ILE H . . 4.210 3.286 2.998 3.521 . 0 0 "[ . 1 . 2]" 1
369 1 19 ARG HB3 1 19 ARG HD2 . . 4.230 2.652 2.016 4.093 . 0 0 "[ . 1 . 2]" 1
370 1 19 ARG HB3 1 19 ARG HD3 . . 4.230 2.971 2.016 3.626 . 0 0 "[ . 1 . 2]" 1
371 1 19 ARG HB3 1 20 ILE H . . 4.210 3.582 3.260 4.005 . 0 0 "[ . 1 . 2]" 1
372 1 20 ILE H 1 20 ILE HB . . 3.150 2.673 2.662 2.688 . 0 0 "[ . 1 . 2]" 1
373 1 20 ILE H 1 20 ILE MD . . 3.570 3.500 3.120 3.597 0.027 1 0 "[ . 1 . 2]" 1
374 1 20 ILE H 1 20 ILE HG12 . . 3.110 2.907 1.946 3.149 0.039 12 0 "[ . 1 . 2]" 1
375 1 20 ILE H 1 20 ILE HG13 . . 3.680 2.286 1.977 3.536 . 0 0 "[ . 1 . 2]" 1
376 1 20 ILE H 1 20 ILE MG . . 4.040 3.782 3.778 3.791 . 0 0 "[ . 1 . 2]" 1
377 1 20 ILE HA 1 20 ILE MD . . 4.160 3.498 2.029 3.865 . 0 0 "[ . 1 . 2]" 1
378 1 20 ILE HA 1 20 ILE HG12 . . 3.720 2.743 2.622 3.191 . 0 0 "[ . 1 . 2]" 1
379 1 20 ILE HA 1 20 ILE HG13 . . 3.750 3.345 3.216 3.829 0.079 9 0 "[ . 1 . 2]" 1
380 1 20 ILE HA 1 20 ILE MG . . 2.850 2.297 2.173 2.335 . 0 0 "[ . 1 . 2]" 1
381 1 20 ILE HA 1 21 ALA H . . 3.460 3.500 3.476 3.569 0.109 9 0 "[ . 1 . 2]" 1
382 1 20 ILE HB 1 20 ILE MD . . 3.600 2.592 2.407 3.229 . 0 0 "[ . 1 . 2]" 1
383 1 20 ILE HB 1 21 ALA H . . 3.570 2.760 2.194 2.924 . 0 0 "[ . 1 . 2]" 1
384 1 20 ILE MD 1 21 ALA H . . 4.940 4.684 4.495 4.751 . 0 0 "[ . 1 . 2]" 1
385 1 20 ILE HG12 1 20 ILE MG . . 3.010 2.537 2.364 3.185 0.175 16 0 "[ . 1 . 2]" 1
386 1 20 ILE HG13 1 20 ILE MG . . 3.430 3.034 2.357 3.203 . 0 0 "[ . 1 . 2]" 1
387 1 20 ILE HG13 1 21 ALA H . . 4.310 4.096 3.970 4.477 0.167 3 0 "[ . 1 . 2]" 1
388 1 20 ILE MG 1 21 ALA H . . 3.830 3.783 3.436 3.868 0.038 17 0 "[ . 1 . 2]" 1
389 1 20 ILE MG 1 21 ALA HA . . 5.200 4.191 4.026 4.244 . 0 0 "[ . 1 . 2]" 1
390 1 21 ALA H 1 21 ALA MB . . 2.860 2.641 2.427 2.706 . 0 0 "[ . 1 . 2]" 1
391 1 21 ALA H 1 22 ASN H . . 3.400 3.423 3.412 3.450 0.050 9 0 "[ . 1 . 2]" 1
392 1 21 ALA HA 1 22 ASN H . . 2.700 2.360 2.319 2.506 . 0 0 "[ . 1 . 2]" 1
393 1 21 ALA MB 1 22 ASN H . . 3.600 3.659 3.639 3.715 0.115 13 0 "[ . 1 . 2]" 1
394 1 21 ALA MB 1 23 GLN H . . 4.010 3.998 3.817 4.039 0.029 13 0 "[ . 1 . 2]" 1
395 1 22 ASN H 1 22 ASN HB2 . . 3.880 2.292 2.213 2.374 . 0 0 "[ . 1 . 2]" 1
396 1 22 ASN H 1 22 ASN QB . . 3.200 2.209 2.153 2.262 . 0 0 "[ . 1 . 2]" 1
397 1 22 ASN H 1 22 ASN HB3 . . 3.880 2.899 2.846 3.006 . 0 0 "[ . 1 . 2]" 1
398 1 22 ASN HA 1 23 GLN H . . 3.210 2.286 2.268 2.341 . 0 0 "[ . 1 . 2]" 1
399 1 22 ASN QB 1 23 GLN H . . 4.160 3.980 3.954 4.000 . 0 0 "[ . 1 . 2]" 1
400 1 22 ASN HB2 1 22 ASN HD22 . . 3.710 3.793 3.726 3.844 0.134 5 0 "[ . 1 . 2]" 1
401 1 22 ASN HB2 1 23 GLN H . . 4.850 4.663 4.655 4.672 . 0 0 "[ . 1 . 2]" 1
402 1 22 ASN HB3 1 22 ASN HD22 . . 3.710 3.473 3.452 3.510 . 0 0 "[ . 1 . 2]" 1
403 1 22 ASN HB3 1 23 GLN H . . 4.850 4.319 4.268 4.349 . 0 0 "[ . 1 . 2]" 1
404 1 22 ASN QD 1 38 GLU QG . . 3.640 3.628 3.421 3.725 0.085 10 0 "[ . 1 . 2]" 1
405 1 22 ASN QD 1 39 CYS H . . 4.870 3.095 2.984 3.250 . 0 0 "[ . 1 . 2]" 1
406 1 22 ASN HD21 1 38 GLU HA . . 3.740 3.796 3.766 3.820 0.080 11 0 "[ . 1 . 2]" 1
407 1 22 ASN HD22 1 38 GLU HA . . 3.740 3.197 2.895 3.494 . 0 0 "[ . 1 . 2]" 1
408 1 23 GLN H 1 23 GLN HB2 . . 3.310 2.101 2.083 2.125 . 0 0 "[ . 1 . 2]" 1
409 1 23 GLN H 1 23 GLN HB3 . . 3.310 3.301 3.246 3.426 0.116 11 0 "[ . 1 . 2]" 1
410 1 23 GLN H 1 23 GLN HG2 . . 4.150 3.739 3.637 3.918 . 0 0 "[ . 1 . 2]" 1
411 1 23 GLN H 1 23 GLN QG . . 3.580 3.497 3.420 3.647 0.067 1 0 "[ . 1 . 2]" 1
412 1 23 GLN H 1 23 GLN HG3 . . 4.150 4.205 4.157 4.348 0.198 1 0 "[ . 1 . 2]" 1
413 1 23 GLN H 1 24 CYS H . . 2.860 2.560 2.538 2.613 . 0 0 "[ . 1 . 2]" 1
414 1 23 GLN HA 1 23 GLN HB2 . . 2.820 2.882 2.857 2.944 0.124 11 0 "[ . 1 . 2]" 1
415 1 23 GLN HA 1 23 GLN HB3 . . 2.820 2.810 2.729 2.842 0.022 5 0 "[ . 1 . 2]" 1
416 1 23 GLN HA 1 23 GLN HE21 . . 4.500 2.962 2.550 3.169 . 0 0 "[ . 1 . 2]" 1
417 1 23 GLN HA 1 23 GLN QE . . 3.680 2.867 2.450 3.078 . 0 0 "[ . 1 . 2]" 1
418 1 23 GLN HA 1 23 GLN HE22 . . 4.500 3.836 3.166 4.180 . 0 0 "[ . 1 . 2]" 1
419 1 23 GLN HA 1 23 GLN QG . . 3.110 2.327 2.170 2.659 . 0 0 "[ . 1 . 2]" 1
420 1 23 GLN HA 1 25 ASN H . . 4.740 4.700 4.586 4.757 0.017 18 0 "[ . 1 . 2]" 1
421 1 23 GLN HA 1 26 TYR H . . 5.250 3.423 3.364 3.446 . 0 0 "[ . 1 . 2]" 1
422 1 23 GLN HA 1 26 TYR HB2 . . 3.030 2.909 2.840 3.074 0.044 14 0 "[ . 1 . 2]" 1
423 1 23 GLN HA 1 26 TYR QB . . 2.610 2.664 2.619 2.764 0.154 14 0 "[ . 1 . 2]" 1
424 1 23 GLN HA 1 26 TYR HB3 . . 3.030 3.091 3.069 3.133 0.103 14 0 "[ . 1 . 2]" 1
425 1 23 GLN HA 1 27 ASP H . . 3.920 3.832 3.747 3.888 . 0 0 "[ . 1 . 2]" 1
426 1 23 GLN HB2 1 24 CYS H . . 3.930 3.714 3.509 3.816 . 0 0 "[ . 1 . 2]" 1
427 1 23 GLN HB3 1 24 CYS H . . 3.930 3.764 3.676 3.883 . 0 0 "[ . 1 . 2]" 1
428 1 23 GLN QE 1 23 GLN QG . . 2.730 2.074 2.066 2.097 . 0 0 "[ . 1 . 2]" 1
429 1 23 GLN QE 1 26 TYR QB . . 3.230 2.569 2.381 2.862 . 0 0 "[ . 1 . 2]" 1
430 1 23 GLN HE21 1 26 TYR HB2 . . 4.320 3.677 3.420 3.844 . 0 0 "[ . 1 . 2]" 1
431 1 23 GLN HE21 1 26 TYR HB3 . . 4.320 2.940 2.679 3.177 . 0 0 "[ . 1 . 2]" 1
432 1 23 GLN HE22 1 23 GLN HG2 . . 3.910 3.578 3.437 4.001 0.091 1 0 "[ . 1 . 2]" 1
433 1 23 GLN HE22 1 23 GLN HG3 . . 3.910 3.801 3.446 3.923 0.013 4 0 "[ . 1 . 2]" 1
434 1 23 GLN HE22 1 26 TYR HB2 . . 4.320 4.251 3.997 4.326 0.006 7 0 "[ . 1 . 2]" 1
435 1 23 GLN HE22 1 26 TYR HB3 . . 4.320 3.206 2.778 4.355 0.035 1 0 "[ . 1 . 2]" 1
436 1 24 CYS H 1 24 CYS HB2 . . 3.240 2.627 2.069 2.811 . 0 0 "[ . 1 . 2]" 1
437 1 24 CYS H 1 24 CYS HB3 . . 3.240 2.509 2.284 3.282 0.042 14 0 "[ . 1 . 2]" 1
438 1 24 CYS H 1 25 ASN H . . 2.720 2.846 2.793 2.871 0.151 15 0 "[ . 1 . 2]" 1
439 1 24 CYS H 1 26 TYR H . . 3.960 3.908 3.891 3.957 . 0 0 "[ . 1 . 2]" 1
440 1 24 CYS HA 1 27 ASP H . . 3.420 3.478 3.444 3.502 0.082 17 0 "[ . 1 . 2]" 1
441 1 24 CYS HA 1 27 ASP QB . . 3.440 2.566 2.476 2.660 . 0 0 "[ . 1 . 2]" 1
442 1 24 CYS HA 1 28 CYS H . . 4.040 4.000 3.919 4.084 0.044 17 0 "[ . 1 . 2]" 1
443 1 24 CYS QB 1 25 ASN H . . 3.160 2.277 2.238 2.375 . 0 0 "[ . 1 . 2]" 1
444 1 24 CYS HB2 1 25 ASN H . . 3.660 3.571 2.889 3.782 0.122 10 0 "[ . 1 . 2]" 1
445 1 24 CYS HB3 1 25 ASN H . . 3.660 2.318 2.256 2.525 . 0 0 "[ . 1 . 2]" 1
446 1 25 ASN H 1 25 ASN HB2 . . 3.600 3.434 2.578 3.584 . 0 0 "[ . 1 . 2]" 1
447 1 25 ASN H 1 25 ASN QB . . 2.990 2.364 2.252 2.615 . 0 0 "[ . 1 . 2]" 1
448 1 25 ASN H 1 25 ASN HB3 . . 3.600 2.500 2.338 3.581 . 0 0 "[ . 1 . 2]" 1
449 1 25 ASN H 1 26 TYR H . . 3.120 2.754 2.707 2.781 . 0 0 "[ . 1 . 2]" 1
450 1 25 ASN H 1 27 ASP H . . 4.680 4.170 4.096 4.248 . 0 0 "[ . 1 . 2]" 1
451 1 25 ASN HA 1 26 TYR H . . 3.480 3.525 3.522 3.528 0.048 10 0 "[ . 1 . 2]" 1
452 1 25 ASN HA 1 28 CYS H . . 3.500 3.626 3.589 3.760 0.260 14 0 "[ . 1 . 2]" 1
453 1 25 ASN HA 1 28 CYS QB . . 3.350 2.807 2.710 2.930 . 0 0 "[ . 1 . 2]" 1
454 1 25 ASN HA 1 29 LYS H . . 5.500 4.370 4.219 4.655 . 0 0 "[ . 1 . 2]" 1
455 1 25 ASN HA 1 37 GLY H . . 4.790 4.828 4.734 4.867 0.077 9 0 "[ . 1 . 2]" 1
456 1 25 ASN HA 1 37 GLY HA2 . . 3.640 3.687 3.651 3.811 0.171 14 0 "[ . 1 . 2]" 1
457 1 25 ASN HA 1 37 GLY QA . . 3.150 2.135 2.067 2.376 . 0 0 "[ . 1 . 2]" 1
458 1 25 ASN HA 1 37 GLY HA3 . . 3.640 2.149 2.078 2.400 . 0 0 "[ . 1 . 2]" 1
459 1 25 ASN QB 1 26 TYR H . . 3.340 3.307 2.591 3.435 0.095 11 0 "[ . 1 . 2]" 1
460 1 25 ASN HB2 1 26 TYR H . . 3.850 3.754 2.636 3.977 0.127 14 0 "[ . 1 . 2]" 1
461 1 25 ASN HB3 1 26 TYR H . . 3.850 3.770 2.696 3.868 0.018 7 0 "[ . 1 . 2]" 1
462 1 26 TYR H 1 26 TYR HB2 . . 3.040 2.163 2.145 2.214 . 0 0 "[ . 1 . 2]" 1
463 1 26 TYR H 1 26 TYR HB3 . . 3.040 3.025 2.954 3.061 0.021 11 0 "[ . 1 . 2]" 1
464 1 26 TYR H 1 27 ASP H . . 3.690 2.539 2.517 2.561 . 0 0 "[ . 1 . 2]" 1
465 1 26 TYR HA 1 26 TYR HB2 . . 2.980 2.732 2.698 2.751 . 0 0 "[ . 1 . 2]" 1
466 1 26 TYR HA 1 26 TYR QB . . 2.590 2.516 2.503 2.522 . 0 0 "[ . 1 . 2]" 1
467 1 26 TYR HA 1 26 TYR HB3 . . 2.980 2.944 2.931 2.963 . 0 0 "[ . 1 . 2]" 1
468 1 26 TYR HA 1 29 LYS H . . 4.610 3.926 3.834 4.015 . 0 0 "[ . 1 . 2]" 1
469 1 26 TYR HA 1 29 LYS QB . . 3.640 3.538 3.434 3.662 0.022 14 0 "[ . 1 . 2]" 1
470 1 26 TYR HA 1 29 LYS HD2 . . 4.230 4.274 4.247 4.494 0.264 17 0 "[ . 1 . 2]" 1
471 1 26 TYR HA 1 29 LYS HD3 . . 4.230 3.049 2.739 4.449 0.219 17 0 "[ . 1 . 2]" 1
472 1 26 TYR HA 1 29 LYS QE . . 4.620 4.473 1.884 4.634 0.014 14 0 "[ . 1 . 2]" 1
473 1 26 TYR HA 1 30 LEU H . . 4.960 4.271 4.168 4.337 . 0 0 "[ . 1 . 2]" 1
474 1 26 TYR HB2 1 27 ASP H . . 3.400 3.475 3.454 3.507 0.107 5 0 "[ . 1 . 2]" 1
475 1 26 TYR HB3 1 27 ASP H . . 3.400 2.820 2.643 2.935 . 0 0 "[ . 1 . 2]" 1
476 1 26 TYR QE 1 30 LEU QD . . 3.490 3.328 2.989 3.494 0.004 12 0 "[ . 1 . 2]" 1
477 1 27 ASP H 1 27 ASP HB2 . . 3.370 2.787 2.569 2.870 . 0 0 "[ . 1 . 2]" 1
478 1 27 ASP H 1 27 ASP QB . . 2.950 2.204 2.177 2.259 . 0 0 "[ . 1 . 2]" 1
479 1 27 ASP H 1 27 ASP HB3 . . 3.370 2.318 2.258 2.499 . 0 0 "[ . 1 . 2]" 1
480 1 27 ASP HA 1 30 LEU H . . 4.130 3.393 3.334 3.442 . 0 0 "[ . 1 . 2]" 1
481 1 27 ASP HA 1 31 ASP H . . 4.500 4.251 4.031 4.330 . 0 0 "[ . 1 . 2]" 1
482 1 27 ASP QB 1 28 CYS H . . 3.250 2.647 2.555 2.724 . 0 0 "[ . 1 . 2]" 1
483 1 28 CYS H 1 28 CYS HB2 . . 3.540 2.319 2.291 2.358 . 0 0 "[ . 1 . 2]" 1
484 1 28 CYS H 1 28 CYS QB . . 3.020 2.290 2.265 2.327 . 0 0 "[ . 1 . 2]" 1
485 1 28 CYS H 1 28 CYS HB3 . . 3.540 3.558 3.548 3.570 0.030 8 0 "[ . 1 . 2]" 1
486 1 28 CYS H 1 29 LYS H . . 3.620 2.974 2.945 3.004 . 0 0 "[ . 1 . 2]" 1
487 1 28 CYS H 1 29 LYS QG . . 4.390 4.451 4.398 4.476 0.086 10 0 "[ . 1 . 2]" 1
488 1 28 CYS H 1 30 LEU H . . 4.030 3.891 3.867 3.918 . 0 0 "[ . 1 . 2]" 1
489 1 28 CYS HA 1 31 ASP H . . 4.990 3.962 3.918 4.133 . 0 0 "[ . 1 . 2]" 1
490 1 28 CYS HA 1 32 LYS H . . 4.530 3.484 3.437 3.686 . 0 0 "[ . 1 . 2]" 1
491 1 28 CYS HA 1 32 LYS HB2 . . 3.700 2.923 2.891 2.954 . 0 0 "[ . 1 . 2]" 1
492 1 28 CYS HA 1 32 LYS HB3 . . 4.310 4.440 4.398 4.469 0.159 4 0 "[ . 1 . 2]" 1
493 1 28 CYS HA 1 32 LYS HG2 . . 4.150 4.131 4.055 4.230 0.080 14 0 "[ . 1 . 2]" 1
494 1 28 CYS HA 1 32 LYS HG3 . . 3.430 2.430 2.338 2.529 . 0 0 "[ . 1 . 2]" 1
495 1 28 CYS HA 1 34 ALA MB . . 5.120 4.034 3.742 4.191 . 0 0 "[ . 1 . 2]" 1
496 1 28 CYS HA 1 51 CYS QB . . 4.260 4.147 4.012 4.244 . 0 0 "[ . 1 . 2]" 1
497 1 28 CYS QB 1 34 ALA H . . 4.400 3.216 3.180 3.312 . 0 0 "[ . 1 . 2]" 1
498 1 28 CYS QB 1 34 ALA MB . . 3.030 2.063 1.945 2.181 . 0 0 "[ . 1 . 2]" 1
499 1 28 CYS QB 1 37 GLY QA . . 3.010 2.510 2.043 2.643 . 0 0 "[ . 1 . 2]" 1
500 1 28 CYS QB 1 51 CYS HA . . 3.720 3.585 3.472 3.668 . 0 0 "[ . 1 . 2]" 1
501 1 28 CYS QB 1 52 ASP H . . 4.590 3.966 3.795 4.122 . 0 0 "[ . 1 . 2]" 1
502 1 28 CYS HB2 1 29 LYS H . . 3.680 2.386 2.357 2.426 . 0 0 "[ . 1 . 2]" 1
503 1 28 CYS HB2 1 34 ALA MB . . 3.500 3.374 3.117 3.533 0.033 14 0 "[ . 1 . 2]" 1
504 1 28 CYS HB2 1 37 GLY HA2 . . 4.710 3.863 3.579 3.962 . 0 0 "[ . 1 . 2]" 1
505 1 28 CYS HB2 1 37 GLY HA3 . . 4.710 2.657 2.138 2.822 . 0 0 "[ . 1 . 2]" 1
506 1 28 CYS HB2 1 51 CYS HA . . 4.420 4.376 4.225 4.445 0.025 4 0 "[ . 1 . 2]" 1
507 1 28 CYS HB3 1 29 LYS H . . 3.680 3.007 2.949 3.075 . 0 0 "[ . 1 . 2]" 1
508 1 28 CYS HB3 1 34 ALA MB . . 3.500 2.082 1.964 2.211 . 0 0 "[ . 1 . 2]" 1
509 1 28 CYS HB3 1 37 GLY HA2 . . 4.710 3.980 3.480 4.097 . 0 0 "[ . 1 . 2]" 1
510 1 28 CYS HB3 1 37 GLY HA3 . . 4.710 3.449 2.763 3.620 . 0 0 "[ . 1 . 2]" 1
511 1 28 CYS HB3 1 51 CYS HA . . 4.420 3.808 3.691 3.909 . 0 0 "[ . 1 . 2]" 1
512 1 29 LYS H 1 29 LYS QB . . 3.060 2.568 2.560 2.584 . 0 0 "[ . 1 . 2]" 1
513 1 29 LYS H 1 29 LYS HD2 . . 4.410 3.986 3.894 4.427 0.017 17 0 "[ . 1 . 2]" 1
514 1 29 LYS H 1 29 LYS HD3 . . 4.410 3.498 3.230 4.209 . 0 0 "[ . 1 . 2]" 1
515 1 29 LYS H 1 29 LYS HG2 . . 3.960 3.432 3.371 3.489 . 0 0 "[ . 1 . 2]" 1
516 1 29 LYS H 1 29 LYS QG . . 3.360 1.926 1.889 1.946 . 0 0 "[ . 1 . 2]" 1
517 1 29 LYS H 1 29 LYS HG3 . . 3.960 1.936 1.899 1.955 . 0 0 "[ . 1 . 2]" 1
518 1 29 LYS H 1 30 LEU H . . 3.760 2.619 2.541 2.641 . 0 0 "[ . 1 . 2]" 1
519 1 29 LYS H 1 34 ALA MB . . 4.150 3.832 3.628 3.955 . 0 0 "[ . 1 . 2]" 1
520 1 29 LYS HA 1 29 LYS QD . . 4.720 4.239 4.229 4.252 . 0 0 "[ . 1 . 2]" 1
521 1 29 LYS HA 1 29 LYS HG2 . . 3.680 2.876 2.837 2.950 . 0 0 "[ . 1 . 2]" 1
522 1 29 LYS HA 1 29 LYS QG . . 3.110 2.584 2.572 2.613 . 0 0 "[ . 1 . 2]" 1
523 1 29 LYS HA 1 29 LYS HG3 . . 3.680 2.928 2.857 2.982 . 0 0 "[ . 1 . 2]" 1
524 1 29 LYS HA 1 32 LYS H . . 4.920 4.954 4.936 4.998 0.078 14 0 "[ . 1 . 2]" 1
525 1 29 LYS HA 1 33 HIS H . . 4.370 2.565 2.539 2.623 . 0 0 "[ . 1 . 2]" 1
526 1 29 LYS HA 1 34 ALA H . . 3.780 2.304 2.231 2.384 . 0 0 "[ . 1 . 2]" 1
527 1 29 LYS HA 1 34 ALA MB . . 3.910 3.524 3.421 3.584 . 0 0 "[ . 1 . 2]" 1
528 1 29 LYS QB 1 29 LYS QE . . 3.910 2.300 1.971 2.627 . 0 0 "[ . 1 . 2]" 1
529 1 29 LYS QB 1 30 LEU H . . 3.180 2.807 2.792 2.828 . 0 0 "[ . 1 . 2]" 1
530 1 29 LYS QB 1 34 ALA H . . 4.250 4.254 4.200 4.323 0.073 14 0 "[ . 1 . 2]" 1
531 1 29 LYS QD 1 36 SER HA . . 3.860 2.490 2.278 2.601 . 0 0 "[ . 1 . 2]" 1
532 1 29 LYS QD 1 36 SER QB . . 4.050 4.116 4.041 4.178 0.128 10 0 "[ . 1 . 2]" 1
533 1 29 LYS HD2 1 36 SER HA . . 4.570 2.585 2.291 4.011 . 0 0 "[ . 1 . 2]" 1
534 1 29 LYS HD3 1 36 SER HA . . 4.570 4.167 2.468 4.345 . 0 0 "[ . 1 . 2]" 1
535 1 29 LYS QE 1 29 LYS QG . . 3.280 2.225 2.122 2.773 . 0 0 "[ . 1 . 2]" 1
536 1 29 LYS QE 1 36 SER HA . . 4.890 3.759 3.367 3.958 . 0 0 "[ . 1 . 2]" 1
537 1 29 LYS QG 1 36 SER HA . . 3.960 3.391 3.219 3.493 . 0 0 "[ . 1 . 2]" 1
538 1 29 LYS HG2 1 36 SER HA . . 4.690 3.671 3.485 3.794 . 0 0 "[ . 1 . 2]" 1
539 1 29 LYS HG3 1 36 SER HA . . 4.690 3.987 3.737 4.099 . 0 0 "[ . 1 . 2]" 1
540 1 30 LEU H 1 30 LEU HB2 . . 3.230 2.145 2.041 2.331 . 0 0 "[ . 1 . 2]" 1
541 1 30 LEU H 1 30 LEU HB3 . . 3.230 3.018 2.695 3.247 0.017 20 0 "[ . 1 . 2]" 1
542 1 30 LEU H 1 30 LEU MD1 . . 5.500 3.712 3.256 4.278 . 0 0 "[ . 1 . 2]" 1
543 1 30 LEU H 1 30 LEU QD . . 4.000 3.394 2.861 3.720 . 0 0 "[ . 1 . 2]" 1
544 1 30 LEU H 1 30 LEU MD2 . . 5.500 4.227 2.920 4.451 . 0 0 "[ . 1 . 2]" 1
545 1 30 LEU H 1 30 LEU HG . . 4.590 4.200 3.967 4.526 . 0 0 "[ . 1 . 2]" 1
546 1 30 LEU H 1 31 ASP H . . 3.080 2.884 2.852 2.910 . 0 0 "[ . 1 . 2]" 1
547 1 30 LEU H 1 32 LYS H . . 5.500 4.854 4.826 4.936 . 0 0 "[ . 1 . 2]" 1
548 1 30 LEU HA 1 30 LEU MD1 . . 3.380 3.122 2.072 3.405 0.025 14 0 "[ . 1 . 2]" 1
549 1 30 LEU HA 1 30 LEU MD2 . . 3.380 3.202 2.116 3.405 0.025 14 0 "[ . 1 . 2]" 1
550 1 30 LEU HA 1 30 LEU HG . . 3.820 2.437 2.121 3.692 . 0 0 "[ . 1 . 2]" 1
551 1 30 LEU HB2 1 31 ASP H . . 3.550 3.289 3.018 3.626 0.076 14 0 "[ . 1 . 2]" 1
552 1 30 LEU HB3 1 31 ASP H . . 3.550 2.427 2.280 2.559 . 0 0 "[ . 1 . 2]" 1
553 1 30 LEU QD 1 31 ASP H . . 4.010 3.576 3.066 3.902 . 0 0 "[ . 1 . 2]" 1
554 1 30 LEU HG 1 31 ASP H . . 4.730 4.657 4.402 4.822 0.092 3 0 "[ . 1 . 2]" 1
555 1 31 ASP H 1 31 ASP HB2 . . 3.610 2.322 2.304 2.337 . 0 0 "[ . 1 . 2]" 1
556 1 31 ASP H 1 31 ASP QB . . 3.140 2.286 2.270 2.300 . 0 0 "[ . 1 . 2]" 1
557 1 31 ASP H 1 31 ASP HB3 . . 3.610 3.423 3.412 3.432 . 0 0 "[ . 1 . 2]" 1
558 1 31 ASP H 1 32 LYS H . . 2.990 2.545 2.508 2.573 . 0 0 "[ . 1 . 2]" 1
559 1 31 ASP H 1 33 HIS H . . 5.500 3.193 3.148 3.244 . 0 0 "[ . 1 . 2]" 1
560 1 31 ASP QB 1 32 LYS H . . 3.200 2.216 2.186 2.240 . 0 0 "[ . 1 . 2]" 1
561 1 31 ASP QB 1 32 LYS HG2 . . 4.130 3.215 3.135 3.266 . 0 0 "[ . 1 . 2]" 1
562 1 31 ASP QB 1 32 LYS HG3 . . 3.610 3.706 3.686 3.723 0.113 3 0 "[ . 1 . 2]" 1
563 1 31 ASP HB2 1 32 LYS H . . 3.810 2.578 2.552 2.617 . 0 0 "[ . 1 . 2]" 1
564 1 31 ASP HB2 1 32 LYS HG2 . . 4.740 4.094 4.001 4.152 . 0 0 "[ . 1 . 2]" 1
565 1 31 ASP HB2 1 32 LYS HG3 . . 4.110 4.159 4.138 4.179 0.069 3 0 "[ . 1 . 2]" 1
566 1 31 ASP HB3 1 32 LYS H . . 3.810 2.415 2.368 2.435 . 0 0 "[ . 1 . 2]" 1
567 1 31 ASP HB3 1 32 LYS HG2 . . 4.740 3.361 3.276 3.417 . 0 0 "[ . 1 . 2]" 1
568 1 31 ASP HB3 1 32 LYS HG3 . . 4.110 4.160 4.136 4.180 0.070 3 0 "[ . 1 . 2]" 1
569 1 32 LYS H 1 32 LYS HB2 . . 3.670 2.722 2.683 2.761 . 0 0 "[ . 1 . 2]" 1
570 1 32 LYS H 1 32 LYS HB3 . . 3.680 3.580 3.574 3.587 . 0 0 "[ . 1 . 2]" 1
571 1 32 LYS H 1 32 LYS QD . . 4.350 4.046 4.015 4.080 . 0 0 "[ . 1 . 2]" 1
572 1 32 LYS H 1 32 LYS HG2 . . 3.740 2.359 2.257 2.427 . 0 0 "[ . 1 . 2]" 1
573 1 32 LYS H 1 32 LYS HG3 . . 2.890 2.389 2.324 2.429 . 0 0 "[ . 1 . 2]" 1
574 1 32 LYS H 1 33 HIS H . . 3.770 2.798 2.786 2.809 . 0 0 "[ . 1 . 2]" 1
575 1 32 LYS H 1 34 ALA H . . 5.500 4.568 4.499 4.626 . 0 0 "[ . 1 . 2]" 1
576 1 32 LYS HA 1 32 LYS HB3 . . 2.660 2.407 2.392 2.425 . 0 0 "[ . 1 . 2]" 1
577 1 32 LYS HA 1 32 LYS QD . . 4.400 3.483 3.450 3.540 . 0 0 "[ . 1 . 2]" 1
578 1 32 LYS HA 1 32 LYS HG2 . . 3.400 2.525 2.488 2.559 . 0 0 "[ . 1 . 2]" 1
579 1 32 LYS HA 1 32 LYS HG3 . . 3.730 3.634 3.612 3.669 . 0 0 "[ . 1 . 2]" 1
580 1 32 LYS HB2 1 32 LYS QD . . 3.430 2.790 2.753 2.829 . 0 0 "[ . 1 . 2]" 1
581 1 32 LYS HB2 1 33 HIS H . . 4.610 2.854 2.801 2.916 . 0 0 "[ . 1 . 2]" 1
582 1 32 LYS HB2 1 34 ALA H . . 4.330 2.672 2.591 2.731 . 0 0 "[ . 1 . 2]" 1
583 1 32 LYS HB2 1 34 ALA MB . . 3.310 3.026 2.919 3.166 . 0 0 "[ . 1 . 2]" 1
584 1 32 LYS HB3 1 32 LYS QD . . 3.260 2.186 2.152 2.201 . 0 0 "[ . 1 . 2]" 1
585 1 32 LYS HB3 1 33 HIS H . . 3.990 3.968 3.905 4.031 0.041 14 0 "[ . 1 . 2]" 1
586 1 32 LYS HB3 1 34 ALA H . . 4.410 3.662 3.579 3.723 . 0 0 "[ . 1 . 2]" 1
587 1 32 LYS HB3 1 34 ALA MB . . 4.180 3.557 3.412 3.656 . 0 0 "[ . 1 . 2]" 1
588 1 32 LYS QD 1 32 LYS HG2 . . 2.630 2.318 2.296 2.372 . 0 0 "[ . 1 . 2]" 1
589 1 32 LYS QE 1 32 LYS HG2 . . 2.490 2.480 2.333 2.538 0.048 8 0 "[ . 1 . 2]" 1
590 1 32 LYS QE 1 32 LYS HG3 . . 3.200 2.319 2.260 2.467 . 0 0 "[ . 1 . 2]" 1
591 1 32 LYS HE2 1 32 LYS HG2 . . 3.010 2.625 2.418 2.713 . 0 0 "[ . 1 . 2]" 1
592 1 32 LYS HE2 1 32 LYS HG3 . . 3.880 3.075 3.047 3.116 . 0 0 "[ . 1 . 2]" 1
593 1 32 LYS HE3 1 32 LYS HG2 . . 3.010 3.059 3.020 3.085 0.075 5 0 "[ . 1 . 2]" 1
594 1 32 LYS HE3 1 32 LYS HG3 . . 3.880 2.401 2.325 2.602 . 0 0 "[ . 1 . 2]" 1
595 1 32 LYS HG2 1 33 HIS H . . 4.400 4.578 4.534 4.609 0.209 18 0 "[ . 1 . 2]" 1
596 1 32 LYS HG3 1 33 HIS H . . 4.220 4.298 4.247 4.340 0.120 9 0 "[ . 1 . 2]" 1
597 1 33 HIS H 1 33 HIS QB . . 3.390 2.981 2.963 3.010 . 0 0 "[ . 1 . 2]" 1
598 1 33 HIS H 1 34 ALA H . . 3.270 2.600 2.583 2.621 . 0 0 "[ . 1 . 2]" 1
599 1 33 HIS H 1 34 ALA MB . . 4.400 4.194 4.144 4.274 . 0 0 "[ . 1 . 2]" 1
600 1 33 HIS HA 1 34 ALA H . . 3.260 2.897 2.876 2.933 . 0 0 "[ . 1 . 2]" 1
601 1 33 HIS QB 1 34 ALA H . . 4.110 3.806 3.778 3.831 . 0 0 "[ . 1 . 2]" 1
602 1 34 ALA H 1 34 ALA MB . . 3.290 2.093 2.024 2.232 . 0 0 "[ . 1 . 2]" 1
603 1 34 ALA HA 1 35 ARG QG . . 4.930 3.721 3.564 3.911 . 0 0 "[ . 1 . 2]" 1
604 1 34 ALA MB 1 35 ARG H . . 3.440 1.999 1.887 2.084 . 0 0 "[ . 1 . 2]" 1
605 1 34 ALA MB 1 35 ARG QG . . 3.530 3.459 3.283 3.567 0.037 3 0 "[ . 1 . 2]" 1
606 1 34 ALA MB 1 36 SER H . . 3.160 2.974 2.865 3.188 0.028 10 0 "[ . 1 . 2]" 1
607 1 34 ALA MB 1 51 CYS HA . . 3.690 3.347 3.286 3.409 . 0 0 "[ . 1 . 2]" 1
608 1 34 ALA MB 1 51 CYS HB2 . . 3.250 2.991 2.917 3.179 . 0 0 "[ . 1 . 2]" 1
609 1 34 ALA MB 1 51 CYS HB3 . . 3.250 1.936 1.885 1.977 . 0 0 "[ . 1 . 2]" 1
610 1 34 ALA MB 1 52 ASP H . . 3.340 1.946 1.841 2.092 . 0 0 "[ . 1 . 2]" 1
611 1 34 ALA MB 1 52 ASP QB . . 4.180 3.078 2.751 3.749 . 0 0 "[ . 1 . 2]" 1
612 1 34 ALA MB 1 53 TYR H . . 4.690 4.428 4.292 4.550 . 0 0 "[ . 1 . 2]" 1
613 1 34 ALA MB 1 53 TYR HA . . 4.840 3.835 3.707 3.956 . 0 0 "[ . 1 . 2]" 1
614 1 34 ALA MB 1 53 TYR QD . . 3.710 3.340 3.188 3.575 . 0 0 "[ . 1 . 2]" 1
615 1 34 ALA MB 1 53 TYR QE . . 3.390 3.397 3.292 3.434 0.044 18 0 "[ . 1 . 2]" 1
616 1 35 ARG H 1 35 ARG HB2 . . 3.730 2.712 2.606 2.813 . 0 0 "[ . 1 . 2]" 1
617 1 35 ARG H 1 35 ARG HB3 . . 3.730 3.605 3.581 3.631 . 0 0 "[ . 1 . 2]" 1
618 1 35 ARG H 1 35 ARG QD . . 4.220 3.293 2.422 4.019 . 0 0 "[ . 1 . 2]" 1
619 1 35 ARG H 1 35 ARG HG2 . . 4.060 2.697 1.934 3.428 . 0 0 "[ . 1 . 2]" 1
620 1 35 ARG H 1 35 ARG QG . . 3.540 1.985 1.922 2.090 . 0 0 "[ . 1 . 2]" 1
621 1 35 ARG H 1 35 ARG HG3 . . 4.060 2.700 1.941 3.584 . 0 0 "[ . 1 . 2]" 1
622 1 35 ARG H 1 36 SER H . . 3.590 2.627 2.560 2.718 . 0 0 "[ . 1 . 2]" 1
623 1 35 ARG H 1 52 ASP H . . 4.230 3.166 3.051 3.298 . 0 0 "[ . 1 . 2]" 1
624 1 35 ARG H 1 53 TYR HA . . 4.210 4.129 3.849 4.237 0.027 13 0 "[ . 1 . 2]" 1
625 1 35 ARG HA 1 35 ARG HD2 . . 5.020 4.172 2.447 4.987 . 0 0 "[ . 1 . 2]" 1
626 1 35 ARG HA 1 35 ARG QD . . 4.380 3.396 2.077 4.331 . 0 0 "[ . 1 . 2]" 1
627 1 35 ARG HA 1 35 ARG HD3 . . 5.020 3.903 2.087 4.796 . 0 0 "[ . 1 . 2]" 1
628 1 35 ARG HA 1 36 SER H . . 3.400 3.569 3.568 3.570 0.170 6 0 "[ . 1 . 2]" 1
629 1 35 ARG QB 1 35 ARG QD . . 2.860 2.436 2.114 2.943 0.083 2 0 "[ . 1 . 2]" 1
630 1 35 ARG QB 1 36 SER H . . 3.040 2.192 2.160 2.225 . 0 0 "[ . 1 . 2]" 1
631 1 35 ARG QB 1 52 ASP QB . . 3.860 2.334 1.987 2.738 . 0 0 "[ . 1 . 2]" 1
632 1 35 ARG HB2 1 35 ARG HD2 . . 4.100 3.725 2.486 4.123 0.023 6 0 "[ . 1 . 2]" 1
633 1 35 ARG HB2 1 35 ARG HD3 . . 4.100 3.122 2.311 4.230 0.130 4 0 "[ . 1 . 2]" 1
634 1 35 ARG HB2 1 36 SER H . . 3.710 2.213 2.178 2.244 . 0 0 "[ . 1 . 2]" 1
635 1 35 ARG HB3 1 35 ARG HD2 . . 4.100 3.497 2.360 3.787 . 0 0 "[ . 1 . 2]" 1
636 1 35 ARG HB3 1 35 ARG HD3 . . 4.100 3.086 2.513 3.727 . 0 0 "[ . 1 . 2]" 1
637 1 35 ARG HB3 1 36 SER H . . 3.710 3.561 3.462 3.650 . 0 0 "[ . 1 . 2]" 1
638 1 35 ARG QD 1 36 SER H . . 4.190 4.390 4.196 4.620 0.430 18 0 "[ . 1 . 2]" 1
639 1 35 ARG QD 1 54 CYS HA . . 4.330 4.465 4.400 4.575 0.245 18 0 "[ . 1 . 2]" 1
640 1 35 ARG QG 1 52 ASP QB . . 3.680 2.137 1.846 2.482 . 0 0 "[ . 1 . 2]" 1
641 1 35 ARG QG 1 53 TYR H . . 4.360 4.184 3.815 4.452 0.092 15 0 "[ . 1 . 2]" 1
642 1 35 ARG QG 1 53 TYR HA . . 4.030 3.439 3.169 3.831 . 0 0 "[ . 1 . 2]" 1
643 1 36 SER H 1 36 SER QB . . 3.250 2.919 2.531 3.195 . 0 0 "[ . 1 . 2]" 1
644 1 36 SER H 1 52 ASP H . . 3.590 3.606 3.450 3.708 0.118 10 0 "[ . 1 . 2]" 1
645 1 36 SER H 1 52 ASP HB2 . . 4.230 3.179 2.248 3.833 . 0 0 "[ . 1 . 2]" 1
646 1 36 SER H 1 52 ASP QB . . 3.620 2.693 2.185 3.614 . 0 0 "[ . 1 . 2]" 1
647 1 36 SER H 1 52 ASP HB3 . . 4.230 3.202 2.307 4.421 0.191 15 0 "[ . 1 . 2]" 1
648 1 36 SER HA 1 36 SER HB2 . . 2.790 2.655 2.241 2.960 0.170 6 0 "[ . 1 . 2]" 1
649 1 36 SER HA 1 36 SER QB . . 2.410 2.233 2.157 2.509 0.099 10 0 "[ . 1 . 2]" 1
650 1 36 SER HA 1 36 SER HB3 . . 2.790 2.487 2.245 2.816 0.026 14 0 "[ . 1 . 2]" 1
651 1 36 SER HA 1 37 GLY H . . 3.390 3.564 3.562 3.567 0.177 14 0 "[ . 1 . 2]" 1
652 1 36 SER QB 1 37 GLY H . . 3.290 2.861 2.517 3.254 . 0 0 "[ . 1 . 2]" 1
653 1 36 SER HB2 1 37 GLY H . . 4.150 3.148 2.704 3.956 . 0 0 "[ . 1 . 2]" 1
654 1 36 SER HB3 1 37 GLY H . . 4.150 3.592 2.999 3.994 . 0 0 "[ . 1 . 2]" 1
655 1 37 GLY QA 1 38 GLU H . . 2.520 2.127 2.118 2.151 . 0 0 "[ . 1 . 2]" 1
656 1 37 GLY QA 1 51 CYS HA . . 3.670 2.036 1.956 2.133 . 0 0 "[ . 1 . 2]" 1
657 1 37 GLY QA 1 51 CYS QB . . 4.330 3.399 3.292 3.470 . 0 0 "[ . 1 . 2]" 1
658 1 37 GLY QA 1 52 ASP H . . 3.600 3.005 2.661 3.157 . 0 0 "[ . 1 . 2]" 1
659 1 37 GLY HA2 1 38 GLU H . . 3.130 2.164 2.152 2.200 . 0 0 "[ . 1 . 2]" 1
660 1 37 GLY HA2 1 51 CYS HA . . 4.280 2.053 1.970 2.151 . 0 0 "[ . 1 . 2]" 1
661 1 37 GLY HA3 1 38 GLU H . . 3.130 3.122 3.034 3.162 0.032 14 0 "[ . 1 . 2]" 1
662 1 37 GLY HA3 1 51 CYS HA . . 4.280 3.393 3.307 3.496 . 0 0 "[ . 1 . 2]" 1
663 1 38 GLU H 1 38 GLU QG . . 4.540 3.642 3.503 3.961 . 0 0 "[ . 1 . 2]" 1
664 1 38 GLU H 1 39 CYS H . . 5.500 4.381 4.376 4.383 . 0 0 "[ . 1 . 2]" 1
665 1 38 GLU H 1 50 ILE H . . 4.290 4.069 4.006 4.186 . 0 0 "[ . 1 . 2]" 1
666 1 38 GLU H 1 50 ILE HB . . 4.210 4.253 4.226 4.336 0.126 11 0 "[ . 1 . 2]" 1
667 1 38 GLU H 1 51 CYS HA . . 4.020 2.951 2.876 3.058 . 0 0 "[ . 1 . 2]" 1
668 1 38 GLU HA 1 38 GLU QB . . 2.370 2.457 2.441 2.474 0.104 10 0 "[ . 1 . 2]" 1
669 1 38 GLU HA 1 38 GLU QG . . 3.570 2.216 2.130 2.274 . 0 0 "[ . 1 . 2]" 1
670 1 38 GLU HA 1 39 CYS H . . 2.400 2.427 2.422 2.432 0.032 8 0 "[ . 1 . 2]" 1
671 1 38 GLU QB 1 39 CYS H . . 3.000 2.370 2.358 2.387 . 0 0 "[ . 1 . 2]" 1
672 1 38 GLU QB 1 40 PHE QE . . 3.970 1.922 1.885 1.996 . 0 0 "[ . 1 . 2]" 1
673 1 38 GLU HB2 1 39 CYS H . . 3.780 3.769 3.738 3.804 0.024 10 0 "[ . 1 . 2]" 1
674 1 38 GLU HB2 1 40 PHE QE . . 4.790 2.009 1.976 2.159 . 0 0 "[ . 1 . 2]" 1
675 1 38 GLU HB3 1 39 CYS H . . 3.780 2.395 2.383 2.412 . 0 0 "[ . 1 . 2]" 1
676 1 38 GLU HB3 1 40 PHE QE . . 4.790 2.473 2.285 2.674 . 0 0 "[ . 1 . 2]" 1
677 1 38 GLU QG 1 39 CYS H . . 3.890 3.494 3.397 3.675 . 0 0 "[ . 1 . 2]" 1
678 1 38 GLU QG 1 40 PHE QE . . 4.750 3.769 3.513 3.882 . 0 0 "[ . 1 . 2]" 1
679 1 39 CYS H 1 39 CYS HB2 . . 3.630 2.532 2.487 2.588 . 0 0 "[ . 1 . 2]" 1
680 1 39 CYS H 1 39 CYS QB . . 3.160 2.492 2.450 2.543 . 0 0 "[ . 1 . 2]" 1
681 1 39 CYS H 1 39 CYS HB3 . . 3.630 3.708 3.687 3.731 0.101 17 0 "[ . 1 . 2]" 1
682 1 39 CYS HA 1 40 PHE H . . 3.350 2.197 2.193 2.203 . 0 0 "[ . 1 . 2]" 1
683 1 39 CYS HA 1 47 LEU QD . . 4.240 3.331 3.266 3.388 . 0 0 "[ . 1 . 2]" 1
684 1 39 CYS HA 1 48 GLN H . . 5.500 4.574 4.446 4.729 . 0 0 "[ . 1 . 2]" 1
685 1 39 CYS HA 1 49 CYS HA . . 3.810 2.540 2.455 2.649 . 0 0 "[ . 1 . 2]" 1
686 1 39 CYS HA 1 50 ILE H . . 3.520 2.359 2.306 2.401 . 0 0 "[ . 1 . 2]" 1
687 1 39 CYS QB 1 40 PHE H . . 3.290 2.958 2.939 2.970 . 0 0 "[ . 1 . 2]" 1
688 1 39 CYS QB 1 47 LEU QB . . 3.910 3.770 3.470 3.947 0.037 6 0 "[ . 1 . 2]" 1
689 1 39 CYS QB 1 47 LEU QD . . 2.900 1.844 1.829 1.855 . 0 0 "[ . 1 . 2]" 1
690 1 39 CYS QB 1 47 LEU HG . . 4.590 4.468 4.388 4.502 . 0 0 "[ . 1 . 2]" 1
691 1 39 CYS QB 1 49 CYS HA . . 3.970 3.602 3.538 3.673 . 0 0 "[ . 1 . 2]" 1
692 1 39 CYS HB2 1 40 PHE H . . 4.070 4.072 4.024 4.112 0.042 10 0 "[ . 1 . 2]" 1
693 1 39 CYS HB2 1 47 LEU MD1 . . 4.050 4.095 4.056 4.133 0.083 16 0 "[ . 1 . 2]" 1
694 1 39 CYS HB2 1 47 LEU MD2 . . 4.050 2.688 2.457 2.790 . 0 0 "[ . 1 . 2]" 1
695 1 39 CYS HB2 1 49 CYS HA . . 4.670 4.641 4.513 4.691 0.021 19 0 "[ . 1 . 2]" 1
696 1 39 CYS HB3 1 40 PHE H . . 4.070 3.037 3.013 3.053 . 0 0 "[ . 1 . 2]" 1
697 1 39 CYS HB3 1 47 LEU MD1 . . 4.050 3.723 3.635 3.917 . 0 0 "[ . 1 . 2]" 1
698 1 39 CYS HB3 1 47 LEU MD2 . . 4.050 1.888 1.877 1.919 . 0 0 "[ . 1 . 2]" 1
699 1 39 CYS HB3 1 49 CYS HA . . 4.670 3.753 3.684 3.840 . 0 0 "[ . 1 . 2]" 1
700 1 40 PHE H 1 40 PHE HB2 . . 3.800 2.892 2.858 2.922 . 0 0 "[ . 1 . 2]" 1
701 1 40 PHE H 1 40 PHE QB . . 3.200 2.821 2.791 2.848 . 0 0 "[ . 1 . 2]" 1
702 1 40 PHE H 1 40 PHE HB3 . . 3.800 3.921 3.902 3.937 0.137 13 0 "[ . 1 . 2]" 1
703 1 40 PHE H 1 40 PHE QD . . 3.420 3.421 3.281 3.459 0.039 5 0 "[ . 1 . 2]" 1
704 1 40 PHE H 1 47 LEU HA . . 4.410 3.969 3.824 4.110 . 0 0 "[ . 1 . 2]" 1
705 1 40 PHE H 1 48 GLN H . . 3.270 2.972 2.841 3.099 . 0 0 "[ . 1 . 2]" 1
706 1 40 PHE H 1 50 ILE MD . . 4.440 2.388 2.258 2.508 . 0 0 "[ . 1 . 2]" 1
707 1 40 PHE HA 1 41 TYR H . . 3.230 2.355 2.323 2.387 . 0 0 "[ . 1 . 2]" 1
708 1 40 PHE HA 1 47 LEU MD1 . . 5.220 4.256 4.061 4.450 . 0 0 "[ . 1 . 2]" 1
709 1 40 PHE HA 1 47 LEU QD . . 3.780 2.115 1.980 2.239 . 0 0 "[ . 1 . 2]" 1
710 1 40 PHE HA 1 47 LEU MD2 . . 5.220 2.120 1.984 2.245 . 0 0 "[ . 1 . 2]" 1
711 1 40 PHE QB 1 41 TYR H . . 3.490 2.510 2.436 2.584 . 0 0 "[ . 1 . 2]" 1
712 1 40 PHE QB 1 48 GLN H . . 4.370 4.429 4.377 4.469 0.099 2 0 "[ . 1 . 2]" 1
713 1 40 PHE QB 1 50 ILE MD . . 3.090 1.881 1.863 1.927 . 0 0 "[ . 1 . 2]" 1
714 1 40 PHE HB2 1 41 TYR H . . 4.000 3.704 3.625 3.776 . 0 0 "[ . 1 . 2]" 1
715 1 40 PHE HB2 1 50 ILE MD . . 3.760 1.892 1.874 1.939 . 0 0 "[ . 1 . 2]" 1
716 1 40 PHE HB3 1 41 TYR H . . 4.000 2.553 2.475 2.631 . 0 0 "[ . 1 . 2]" 1
717 1 40 PHE HB3 1 50 ILE MD . . 3.760 3.302 3.260 3.356 . 0 0 "[ . 1 . 2]" 1
718 1 40 PHE QD 1 41 TYR H . . 3.700 3.707 3.622 3.763 0.063 8 0 "[ . 1 . 2]" 1
719 1 40 PHE QD 1 50 ILE H . . 3.820 3.841 3.807 3.914 0.094 8 0 "[ . 1 . 2]" 1
720 1 40 PHE QD 1 50 ILE HB . . 3.250 2.292 2.249 2.378 . 0 0 "[ . 1 . 2]" 1
721 1 40 PHE QD 1 50 ILE MD . . 3.450 2.267 2.039 2.414 . 0 0 "[ . 1 . 2]" 1
722 1 40 PHE QD 1 50 ILE HG12 . . 4.850 4.361 4.283 4.432 . 0 0 "[ . 1 . 2]" 1
723 1 40 PHE QD 1 50 ILE QG . . 3.980 3.993 3.947 4.019 0.039 13 0 "[ . 1 . 2]" 1
724 1 40 PHE QD 1 50 ILE HG13 . . 4.850 4.635 4.542 4.740 . 0 0 "[ . 1 . 2]" 1
725 1 40 PHE QD 1 50 ILE MG . . 3.750 3.284 3.204 3.451 . 0 0 "[ . 1 . 2]" 1
726 1 41 TYR H 1 41 TYR QB . . 3.410 2.315 2.282 2.372 . 0 0 "[ . 1 . 2]" 1
727 1 41 TYR H 1 41 TYR QD . . 2.890 2.415 2.179 2.631 . 0 0 "[ . 1 . 2]" 1
728 1 41 TYR H 1 47 LEU QD . . 4.040 3.248 3.117 3.329 . 0 0 "[ . 1 . 2]" 1
729 1 41 TYR HA 1 42 ASP H . . 3.420 2.303 2.273 2.312 . 0 0 "[ . 1 . 2]" 1
730 1 41 TYR HA 1 47 LEU HA . . 3.870 1.927 1.908 1.960 . 0 0 "[ . 1 . 2]" 1
731 1 41 TYR HA 1 47 LEU HB2 . . 4.570 4.056 3.944 4.205 . 0 0 "[ . 1 . 2]" 1
732 1 41 TYR HA 1 47 LEU QB . . 3.950 3.814 3.730 3.924 . 0 0 "[ . 1 . 2]" 1
733 1 41 TYR HA 1 47 LEU HB3 . . 4.570 4.642 4.587 4.712 0.142 13 0 "[ . 1 . 2]" 1
734 1 41 TYR HA 1 47 LEU MD1 . . 4.490 4.593 4.543 4.671 0.181 15 0 "[ . 1 . 2]" 1
735 1 41 TYR HA 1 47 LEU QD . . 3.610 3.425 3.331 3.590 . 0 0 "[ . 1 . 2]" 1
736 1 41 TYR HA 1 47 LEU MD2 . . 4.490 3.536 3.420 3.746 . 0 0 "[ . 1 . 2]" 1
737 1 41 TYR HA 1 48 GLN H . . 3.730 3.312 3.209 3.378 . 0 0 "[ . 1 . 2]" 1
738 1 41 TYR QB 1 42 ASP H . . 2.850 2.641 2.611 2.721 . 0 0 "[ . 1 . 2]" 1
739 1 41 TYR QB 1 45 ARG H . . 3.810 3.881 3.833 3.957 0.147 17 0 "[ . 1 . 2]" 1
740 1 41 TYR QB 1 45 ARG HA . . 3.480 2.343 2.117 2.528 . 0 0 "[ . 1 . 2]" 1
741 1 41 TYR HB2 1 45 ARG HA . . 4.020 3.922 3.696 4.060 0.040 16 0 "[ . 1 . 2]" 1
742 1 41 TYR HB2 1 47 LEU HA . . 4.530 4.675 4.632 4.716 0.186 10 0 "[ . 1 . 2]" 1
743 1 41 TYR HB3 1 45 ARG HA . . 4.020 2.361 2.129 2.554 . 0 0 "[ . 1 . 2]" 1
744 1 41 TYR HB3 1 47 LEU HA . . 4.530 4.319 4.258 4.369 . 0 0 "[ . 1 . 2]" 1
745 1 41 TYR QD 1 42 ASP H . . 3.720 3.561 3.400 3.752 0.032 13 0 "[ . 1 . 2]" 1
746 1 41 TYR QD 1 45 ARG HA . . 3.270 2.929 2.720 3.175 . 0 0 "[ . 1 . 2]" 1
747 1 41 TYR QD 1 45 ARG HB2 . . 4.400 4.409 4.221 4.485 0.085 5 0 "[ . 1 . 2]" 1
748 1 41 TYR QD 1 45 ARG QD . . 4.410 4.380 4.130 4.461 0.051 13 0 "[ . 1 . 2]" 1
749 1 41 TYR QD 1 46 ASN H . . 3.480 3.519 3.498 3.564 0.084 14 0 "[ . 1 . 2]" 1
750 1 41 TYR QD 1 47 LEU HB2 . . 5.500 3.691 3.316 3.972 . 0 0 "[ . 1 . 2]" 1
751 1 41 TYR QD 1 47 LEU HB3 . . 5.500 4.991 4.701 5.182 . 0 0 "[ . 1 . 2]" 1
752 1 41 TYR QD 1 47 LEU MD1 . . 3.720 3.572 3.479 3.723 0.003 10 0 "[ . 1 . 2]" 1
753 1 41 TYR QD 1 47 LEU QD . . 3.230 3.240 3.171 3.279 0.049 8 0 "[ . 1 . 2]" 1
754 1 41 TYR QD 1 47 LEU MD2 . . 3.720 3.717 3.598 3.782 0.062 15 0 "[ . 1 . 2]" 1
755 1 41 TYR QD 1 47 LEU HG . . 4.310 3.010 2.929 3.082 . 0 0 "[ . 1 . 2]" 1
756 1 41 TYR QE 1 47 LEU QB . . 4.170 3.166 2.666 3.502 . 0 0 "[ . 1 . 2]" 1
757 1 42 ASP H 1 42 ASP HB2 . . 4.040 2.860 2.316 3.731 . 0 0 "[ . 1 . 2]" 1
758 1 42 ASP H 1 42 ASP QB . . 3.460 2.423 2.255 2.897 . 0 0 "[ . 1 . 2]" 1
759 1 42 ASP H 1 42 ASP HB3 . . 4.040 2.889 2.548 3.093 . 0 0 "[ . 1 . 2]" 1
760 1 42 ASP H 1 43 GLU H . . 4.320 4.391 4.376 4.414 0.094 5 0 "[ . 1 . 2]" 1
761 1 42 ASP H 1 45 ARG H . . 3.920 3.743 3.533 3.843 . 0 0 "[ . 1 . 2]" 1
762 1 42 ASP H 1 45 ARG HA . . 4.280 3.482 3.201 3.733 . 0 0 "[ . 1 . 2]" 1
763 1 42 ASP H 1 46 ASN H . . 4.410 2.017 1.857 2.292 . 0 0 "[ . 1 . 2]" 1
764 1 42 ASP H 1 47 LEU HA . . 4.230 3.738 3.624 3.881 . 0 0 "[ . 1 . 2]" 1
765 1 42 ASP HA 1 43 GLU H . . 3.340 2.725 2.673 2.744 . 0 0 "[ . 1 . 2]" 1
766 1 42 ASP QB 1 43 GLU H . . 3.130 2.264 1.912 2.409 . 0 0 "[ . 1 . 2]" 1
767 1 42 ASP QB 1 44 LYS H . . 3.820 2.687 2.175 3.682 . 0 0 "[ . 1 . 2]" 1
768 1 42 ASP QB 1 46 ASN QD . . 5.070 3.954 2.749 5.039 . 0 0 "[ . 1 . 2]" 1
769 1 42 ASP QB 1 48 GLN QE . . 3.350 2.216 1.878 2.542 . 0 0 "[ . 1 . 2]" 1
770 1 42 ASP QB 1 48 GLN QG . . 4.160 3.657 2.675 4.232 0.072 13 0 "[ . 1 . 2]" 1
771 1 42 ASP HB2 1 43 GLU H . . 3.700 3.096 1.921 3.623 . 0 0 "[ . 1 . 2]" 1
772 1 42 ASP HB2 1 44 LYS H . . 4.470 3.865 2.954 4.208 . 0 0 "[ . 1 . 2]" 1
773 1 42 ASP HB2 1 48 GLN HE21 . . 4.710 3.043 2.256 4.375 . 0 0 "[ . 1 . 2]" 1
774 1 42 ASP HB2 1 48 GLN HE22 . . 4.710 2.959 2.234 4.050 . 0 0 "[ . 1 . 2]" 1
775 1 42 ASP HB3 1 43 GLU H . . 3.700 2.793 2.229 3.639 . 0 0 "[ . 1 . 2]" 1
776 1 42 ASP HB3 1 44 LYS H . . 4.470 3.007 2.186 4.418 . 0 0 "[ . 1 . 2]" 1
777 1 42 ASP HB3 1 48 GLN HE21 . . 4.710 3.629 1.938 4.839 0.129 11 0 "[ . 1 . 2]" 1
778 1 42 ASP HB3 1 48 GLN HE22 . . 4.710 3.419 2.161 4.710 . 0 0 "[ . 1 . 2]" 1
779 1 43 GLU H 1 43 GLU QB . . 3.260 2.571 2.502 2.628 . 0 0 "[ . 1 . 2]" 1
780 1 43 GLU H 1 43 GLU HG2 . . 3.780 2.723 2.281 3.293 . 0 0 "[ . 1 . 2]" 1
781 1 43 GLU H 1 43 GLU QG . . 3.280 2.098 1.954 2.310 . 0 0 "[ . 1 . 2]" 1
782 1 43 GLU H 1 43 GLU HG3 . . 3.780 2.317 1.982 2.812 . 0 0 "[ . 1 . 2]" 1
783 1 43 GLU H 1 44 LYS H . . 2.900 2.649 2.545 2.809 . 0 0 "[ . 1 . 2]" 1
784 1 43 GLU H 1 45 ARG H . . 4.360 4.223 4.009 4.402 0.042 13 0 "[ . 1 . 2]" 1
785 1 43 GLU HA 1 43 GLU HG2 . . 3.720 2.568 2.428 2.652 . 0 0 "[ . 1 . 2]" 1
786 1 43 GLU HA 1 43 GLU QG . . 2.920 2.498 2.394 2.552 . 0 0 "[ . 1 . 2]" 1
787 1 43 GLU HA 1 43 GLU HG3 . . 3.720 3.477 3.101 3.721 0.001 13 0 "[ . 1 . 2]" 1
788 1 43 GLU HA 1 45 ARG H . . 4.040 3.612 3.532 3.657 . 0 0 "[ . 1 . 2]" 1
789 1 43 GLU QG 1 44 LYS H . . 4.020 3.964 3.871 4.021 0.001 16 0 "[ . 1 . 2]" 1
790 1 44 LYS H 1 44 LYS HB2 . . 3.500 2.253 2.194 2.309 . 0 0 "[ . 1 . 2]" 1
791 1 44 LYS H 1 44 LYS QB . . 2.980 2.227 2.166 2.279 . 0 0 "[ . 1 . 2]" 1
792 1 44 LYS H 1 44 LYS HB3 . . 3.500 3.493 3.343 3.530 0.030 17 0 "[ . 1 . 2]" 1
793 1 44 LYS H 1 44 LYS HG2 . . 3.920 3.569 3.154 3.925 0.005 7 0 "[ . 1 . 2]" 1
794 1 44 LYS H 1 44 LYS HG3 . . 3.920 3.759 3.422 3.925 0.005 7 0 "[ . 1 . 2]" 1
795 1 44 LYS H 1 45 ARG H . . 3.050 2.708 2.545 2.907 . 0 0 "[ . 1 . 2]" 1
796 1 44 LYS H 1 46 ASN H . . 3.550 3.377 3.151 3.630 0.080 15 0 "[ . 1 . 2]" 1
797 1 44 LYS HA 1 44 LYS QB . . 2.590 2.494 2.472 2.532 . 0 0 "[ . 1 . 2]" 1
798 1 44 LYS HA 1 44 LYS QD . . 3.390 3.083 2.545 3.350 . 0 0 "[ . 1 . 2]" 1
799 1 44 LYS HA 1 44 LYS QG . . 2.700 2.175 2.027 2.358 . 0 0 "[ . 1 . 2]" 1
800 1 44 LYS QB 1 44 LYS QD . . 3.260 2.026 1.966 2.146 . 0 0 "[ . 1 . 2]" 1
801 1 44 LYS QB 1 44 LYS QE . . 3.580 3.333 2.651 3.575 . 0 0 "[ . 1 . 2]" 1
802 1 44 LYS QB 1 45 ARG H . . 4.020 3.704 3.611 3.765 . 0 0 "[ . 1 . 2]" 1
803 1 44 LYS QB 1 46 ASN H . . 3.800 3.713 3.369 3.877 0.077 14 0 "[ . 1 . 2]" 1
804 1 44 LYS QB 1 46 ASN QD . . 2.980 1.883 1.824 2.130 . 0 0 "[ . 1 . 2]" 1
805 1 44 LYS HB2 1 46 ASN HD21 . . 3.980 3.196 2.524 4.135 0.155 15 0 "[ . 1 . 2]" 1
806 1 44 LYS HB2 1 46 ASN HD22 . . 3.980 2.427 1.947 3.363 . 0 0 "[ . 1 . 2]" 1
807 1 44 LYS HB3 1 46 ASN HD21 . . 3.980 3.418 2.808 3.828 . 0 0 "[ . 1 . 2]" 1
808 1 44 LYS HB3 1 46 ASN HD22 . . 3.980 2.068 1.909 2.306 . 0 0 "[ . 1 . 2]" 1
809 1 44 LYS QD 1 44 LYS QG . . 2.270 2.063 2.029 2.091 . 0 0 "[ . 1 . 2]" 1
810 1 44 LYS QD 1 46 ASN QD . . 3.620 3.139 2.618 3.538 . 0 0 "[ . 1 . 2]" 1
811 1 44 LYS QE 1 44 LYS QG . . 3.120 2.075 1.972 2.159 . 0 0 "[ . 1 . 2]" 1
812 1 44 LYS QG 1 46 ASN QD . . 4.460 3.450 3.222 3.914 . 0 0 "[ . 1 . 2]" 1
813 1 45 ARG H 1 45 ARG HB2 . . 3.630 3.642 3.560 3.700 0.070 4 0 "[ . 1 . 2]" 1
814 1 45 ARG H 1 45 ARG HB3 . . 3.930 4.014 3.947 4.046 0.116 15 0 "[ . 1 . 2]" 1
815 1 45 ARG H 1 45 ARG QD . . 4.040 3.814 2.762 4.056 0.016 6 0 "[ . 1 . 2]" 1
816 1 45 ARG H 1 45 ARG QG . . 3.840 2.564 2.391 2.739 . 0 0 "[ . 1 . 2]" 1
817 1 45 ARG H 1 46 ASN H . . 2.980 2.702 2.606 2.855 . 0 0 "[ . 1 . 2]" 1
818 1 45 ARG HA 1 45 ARG HD2 . . 4.570 3.635 2.443 4.097 . 0 0 "[ . 1 . 2]" 1
819 1 45 ARG HA 1 45 ARG QD . . 3.760 2.744 2.123 3.001 . 0 0 "[ . 1 . 2]" 1
820 1 45 ARG HA 1 45 ARG HD3 . . 4.570 2.910 2.135 3.235 . 0 0 "[ . 1 . 2]" 1
821 1 45 ARG HA 1 45 ARG QG . . 3.710 2.727 2.606 3.072 . 0 0 "[ . 1 . 2]" 1
822 1 45 ARG HA 1 46 ASN H . . 3.320 2.820 2.764 2.917 . 0 0 "[ . 1 . 2]" 1
823 1 45 ARG HB2 1 45 ARG HD2 . . 3.970 3.397 3.219 3.965 . 0 0 "[ . 1 . 2]" 1
824 1 45 ARG HB2 1 45 ARG HD3 . . 3.970 3.803 3.506 3.994 0.024 13 0 "[ . 1 . 2]" 1
825 1 45 ARG HB2 1 46 ASN H . . 4.370 4.190 4.089 4.247 . 0 0 "[ . 1 . 2]" 1
826 1 45 ARG HB3 1 45 ARG HD2 . . 3.970 2.306 1.997 3.074 . 0 0 "[ . 1 . 2]" 1
827 1 45 ARG HB3 1 45 ARG HD3 . . 3.970 2.765 2.292 3.463 . 0 0 "[ . 1 . 2]" 1
828 1 45 ARG QG 1 46 ASN H . . 4.450 4.493 4.461 4.541 0.091 19 0 "[ . 1 . 2]" 1
829 1 46 ASN H 1 46 ASN HB2 . . 3.620 2.786 2.567 3.033 . 0 0 "[ . 1 . 2]" 1
830 1 46 ASN H 1 46 ASN HB3 . . 3.620 3.731 3.690 3.762 0.142 5 0 "[ . 1 . 2]" 1
831 1 46 ASN HA 1 47 LEU H . . 3.270 2.146 2.140 2.151 . 0 0 "[ . 1 . 2]" 1
832 1 46 ASN QB 1 47 LEU H . . 3.440 3.390 3.184 3.491 0.051 2 0 "[ . 1 . 2]" 1
833 1 46 ASN QB 1 48 GLN QE . . 3.770 3.530 3.029 3.870 0.100 17 0 "[ . 1 . 2]" 1
834 1 46 ASN HB2 1 47 LEU H . . 4.030 4.170 4.050 4.276 0.246 1 0 "[ . 1 . 2]" 1
835 1 46 ASN HB3 1 47 LEU H . . 4.030 3.600 3.300 3.796 . 0 0 "[ . 1 . 2]" 1
836 1 47 LEU H 1 47 LEU HB2 . . 3.090 2.072 2.053 2.096 . 0 0 "[ . 1 . 2]" 1
837 1 47 LEU H 1 47 LEU QB . . 2.640 2.047 2.031 2.068 . 0 0 "[ . 1 . 2]" 1
838 1 47 LEU H 1 47 LEU HB3 . . 3.090 3.188 3.150 3.249 0.159 8 0 "[ . 1 . 2]" 1
839 1 47 LEU H 1 47 LEU MD1 . . 4.280 3.948 3.825 4.030 . 0 0 "[ . 1 . 2]" 1
840 1 47 LEU H 1 47 LEU QD . . 3.690 3.637 3.573 3.674 . 0 0 "[ . 1 . 2]" 1
841 1 47 LEU H 1 47 LEU MD2 . . 4.280 4.260 4.223 4.314 0.034 5 0 "[ . 1 . 2]" 1
842 1 47 LEU HA 1 47 LEU MD1 . . 3.650 3.758 3.734 3.769 0.119 15 0 "[ . 1 . 2]" 1
843 1 47 LEU HA 1 47 LEU QD . . 3.170 2.289 2.192 2.401 . 0 0 "[ . 1 . 2]" 1
844 1 47 LEU HA 1 47 LEU MD2 . . 3.650 2.310 2.207 2.431 . 0 0 "[ . 1 . 2]" 1
845 1 47 LEU HA 1 47 LEU HG . . 3.580 2.452 2.381 2.496 . 0 0 "[ . 1 . 2]" 1
846 1 47 LEU HA 1 48 GLN H . . 3.210 2.145 2.139 2.166 . 0 0 "[ . 1 . 2]" 1
847 1 47 LEU QB 1 47 LEU QD . . 2.490 1.907 1.871 1.924 . 0 0 "[ . 1 . 2]" 1
848 1 47 LEU QB 1 47 LEU HG . . 2.610 2.387 2.366 2.421 . 0 0 "[ . 1 . 2]" 1
849 1 47 LEU QB 1 48 GLN H . . 3.860 3.660 3.562 3.762 . 0 0 "[ . 1 . 2]" 1
850 1 47 LEU HB2 1 47 LEU MD1 . . 3.220 2.176 2.098 2.251 . 0 0 "[ . 1 . 2]" 1
851 1 47 LEU HB2 1 47 LEU MD2 . . 3.220 3.181 3.174 3.186 . 0 0 "[ . 1 . 2]" 1
852 1 47 LEU HB3 1 47 LEU MD1 . . 3.220 2.468 2.365 2.568 . 0 0 "[ . 1 . 2]" 1
853 1 47 LEU HB3 1 47 LEU MD2 . . 3.220 2.356 2.302 2.394 . 0 0 "[ . 1 . 2]" 1
854 1 47 LEU QD 1 48 GLN H . . 4.440 2.612 2.461 2.930 . 0 0 "[ . 1 . 2]" 1
855 1 47 LEU MD1 1 48 GLN H . . 5.500 5.022 4.928 5.195 . 0 0 "[ . 1 . 2]" 1
856 1 47 LEU MD2 1 48 GLN H . . 5.500 2.621 2.467 2.946 . 0 0 "[ . 1 . 2]" 1
857 1 47 LEU HG 1 48 GLN H . . 4.610 4.280 4.130 4.444 . 0 0 "[ . 1 . 2]" 1
858 1 48 GLN H 1 48 GLN HB2 . . 3.700 2.566 2.350 2.677 . 0 0 "[ . 1 . 2]" 1
859 1 48 GLN H 1 48 GLN HB3 . . 3.820 3.723 3.550 3.794 . 0 0 "[ . 1 . 2]" 1
860 1 48 GLN H 1 48 GLN QG . . 3.290 3.127 2.864 3.541 0.251 14 0 "[ . 1 . 2]" 1
861 1 48 GLN H 1 50 ILE MD . . 4.080 3.099 2.870 3.272 . 0 0 "[ . 1 . 2]" 1
862 1 48 GLN HA 1 48 GLN HB3 . . 2.980 2.530 2.454 2.664 . 0 0 "[ . 1 . 2]" 1
863 1 48 GLN HA 1 48 GLN QG . . 3.230 2.365 2.142 2.518 . 0 0 "[ . 1 . 2]" 1
864 1 48 GLN HA 1 49 CYS H . . 3.250 2.365 2.318 2.435 . 0 0 "[ . 1 . 2]" 1
865 1 48 GLN HB2 1 48 GLN HE21 . . 4.370 2.273 1.911 2.854 . 0 0 "[ . 1 . 2]" 1
866 1 48 GLN HB2 1 48 GLN QE . . 3.760 2.239 1.899 2.793 . 0 0 "[ . 1 . 2]" 1
867 1 48 GLN HB2 1 48 GLN HE22 . . 4.370 3.489 3.214 3.971 . 0 0 "[ . 1 . 2]" 1
868 1 48 GLN HB2 1 49 CYS H . . 3.720 3.768 3.681 3.823 0.103 11 0 "[ . 1 . 2]" 1
869 1 48 GLN HB2 1 50 ILE MD . . 3.870 2.749 2.607 2.961 . 0 0 "[ . 1 . 2]" 1
870 1 48 GLN HB3 1 48 GLN QE . . 4.230 3.187 2.573 3.464 . 0 0 "[ . 1 . 2]" 1
871 1 48 GLN HB3 1 48 GLN HE22 . . 4.840 4.265 4.127 4.378 . 0 0 "[ . 1 . 2]" 1
872 1 48 GLN HB3 1 48 GLN QG . . 2.590 2.251 2.134 2.413 . 0 0 "[ . 1 . 2]" 1
873 1 48 GLN HB3 1 49 CYS H . . 3.380 2.529 2.419 2.642 . 0 0 "[ . 1 . 2]" 1
874 1 48 GLN HB3 1 50 ILE MD . . 3.870 3.872 3.635 3.924 0.054 18 0 "[ . 1 . 2]" 1
875 1 48 GLN QE 1 50 ILE MD . . 4.150 3.682 3.068 4.210 0.060 17 0 "[ . 1 . 2]" 1
876 1 48 GLN QG 1 49 CYS H . . 3.940 3.730 3.313 3.980 0.040 10 0 "[ . 1 . 2]" 1
877 1 48 GLN QG 1 50 ILE MD . . 4.710 4.480 4.181 4.778 0.068 11 0 "[ . 1 . 2]" 1
878 1 49 CYS H 1 49 CYS HB2 . . 3.250 2.563 2.310 2.769 . 0 0 "[ . 1 . 2]" 1
879 1 49 CYS H 1 49 CYS QB . . 2.790 2.279 2.217 2.305 . 0 0 "[ . 1 . 2]" 1
880 1 49 CYS H 1 49 CYS HB3 . . 3.250 2.595 2.445 2.876 . 0 0 "[ . 1 . 2]" 1
881 1 49 CYS H 1 50 ILE H . . 4.210 4.136 4.043 4.209 . 0 0 "[ . 1 . 2]" 1
882 1 49 CYS HA 1 50 ILE H . . 3.260 2.234 2.200 2.277 . 0 0 "[ . 1 . 2]" 1
883 1 49 CYS QB 1 50 ILE H . . 3.840 3.998 3.940 4.022 0.182 19 0 "[ . 1 . 2]" 1
884 1 49 CYS HB2 1 50 ILE H . . 4.640 4.574 4.505 4.651 0.011 8 0 "[ . 1 . 2]" 1
885 1 49 CYS HB3 1 50 ILE H . . 4.640 4.416 4.268 4.490 . 0 0 "[ . 1 . 2]" 1
886 1 50 ILE H 1 50 ILE HB . . 3.270 2.391 2.363 2.440 . 0 0 "[ . 1 . 2]" 1
887 1 50 ILE H 1 50 ILE MD . . 3.700 2.832 2.697 2.973 . 0 0 "[ . 1 . 2]" 1
888 1 50 ILE H 1 50 ILE HG12 . . 4.150 4.224 4.177 4.263 0.113 11 0 "[ . 1 . 2]" 1
889 1 50 ILE H 1 50 ILE HG13 . . 4.150 3.049 2.956 3.185 . 0 0 "[ . 1 . 2]" 1
890 1 50 ILE H 1 50 ILE MG . . 3.700 3.729 3.715 3.754 0.054 10 0 "[ . 1 . 2]" 1
891 1 50 ILE HA 1 50 ILE MD . . 4.070 3.652 3.564 3.709 . 0 0 "[ . 1 . 2]" 1
892 1 50 ILE HA 1 50 ILE HG12 . . 3.930 3.128 3.050 3.225 . 0 0 "[ . 1 . 2]" 1
893 1 50 ILE HA 1 50 ILE QG . . 3.370 2.227 2.182 2.267 . 0 0 "[ . 1 . 2]" 1
894 1 50 ILE HA 1 50 ILE HG13 . . 3.930 2.281 2.221 2.334 . 0 0 "[ . 1 . 2]" 1
895 1 50 ILE HA 1 50 ILE MG . . 3.520 2.467 2.440 2.482 . 0 0 "[ . 1 . 2]" 1
896 1 50 ILE HA 1 51 CYS H . . 2.400 2.141 2.139 2.148 . 0 0 "[ . 1 . 2]" 1
897 1 50 ILE HA 1 51 CYS QB . . 4.580 4.528 4.393 4.553 . 0 0 "[ . 1 . 2]" 1
898 1 50 ILE HB 1 50 ILE MD . . 3.030 2.008 1.991 2.064 . 0 0 "[ . 1 . 2]" 1
899 1 50 ILE HB 1 51 CYS H . . 4.360 4.360 4.261 4.416 0.056 8 0 "[ . 1 . 2]" 1
900 1 50 ILE QG 1 50 ILE MG . . 2.670 2.089 2.068 2.104 . 0 0 "[ . 1 . 2]" 1
901 1 50 ILE QG 1 51 CYS H . . 3.970 4.049 3.993 4.105 0.135 11 0 "[ . 1 . 2]" 1
902 1 50 ILE HG12 1 50 ILE MG . . 3.060 2.134 2.115 2.147 . 0 0 "[ . 1 . 2]" 1
903 1 50 ILE HG12 1 51 CYS H . . 4.690 4.790 4.758 4.851 0.161 18 0 "[ . 1 . 2]" 1
904 1 50 ILE HG13 1 50 ILE MG . . 3.060 2.978 2.912 3.026 . 0 0 "[ . 1 . 2]" 1
905 1 50 ILE HG13 1 51 CYS H . . 4.690 4.369 4.266 4.452 . 0 0 "[ . 1 . 2]" 1
906 1 50 ILE MG 1 51 CYS H . . 3.290 2.826 2.642 2.936 . 0 0 "[ . 1 . 2]" 1
907 1 51 CYS H 1 51 CYS HB2 . . 3.750 2.636 2.463 2.678 . 0 0 "[ . 1 . 2]" 1
908 1 51 CYS H 1 51 CYS QB . . 3.260 2.581 2.426 2.619 . 0 0 "[ . 1 . 2]" 1
909 1 51 CYS H 1 51 CYS HB3 . . 3.750 3.675 3.651 3.702 . 0 0 "[ . 1 . 2]" 1
910 1 51 CYS HA 1 51 CYS HB2 . . 2.990 3.019 3.016 3.025 0.035 14 0 "[ . 1 . 2]" 1
911 1 51 CYS HA 1 51 CYS HB3 . . 2.990 2.393 2.378 2.486 . 0 0 "[ . 1 . 2]" 1
912 1 51 CYS HA 1 52 ASP H . . 2.800 2.443 2.345 2.538 . 0 0 "[ . 1 . 2]" 1
913 1 51 CYS HB2 1 52 ASP H . . 3.520 3.364 3.177 3.568 0.048 8 0 "[ . 1 . 2]" 1
914 1 51 CYS HB2 1 53 TYR QE . . 3.810 3.098 2.964 3.195 . 0 0 "[ . 1 . 2]" 1
915 1 51 CYS HB3 1 52 ASP H . . 3.520 2.415 2.243 2.632 . 0 0 "[ . 1 . 2]" 1
916 1 51 CYS HB3 1 53 TYR QE . . 3.810 3.779 3.604 3.833 0.023 7 0 "[ . 1 . 2]" 1
917 1 52 ASP H 1 52 ASP HB2 . . 3.390 2.795 2.242 3.468 0.078 11 0 "[ . 1 . 2]" 1
918 1 52 ASP H 1 52 ASP HB3 . . 3.390 3.075 2.609 3.574 0.184 4 0 "[ . 1 . 2]" 1
919 1 52 ASP HA 1 53 TYR H . . 2.490 2.141 2.139 2.148 . 0 0 "[ . 1 . 2]" 1
920 1 52 ASP QB 1 53 TYR H . . 3.740 3.595 3.296 3.825 0.085 18 0 "[ . 1 . 2]" 1
921 1 52 ASP HB2 1 53 TYR H . . 4.410 4.252 3.557 4.539 0.129 3 0 "[ . 1 . 2]" 1
922 1 52 ASP HB3 1 53 TYR H . . 4.410 3.937 3.494 4.239 . 0 0 "[ . 1 . 2]" 1
923 1 53 TYR H 1 53 TYR HB2 . . 3.710 2.433 2.373 2.480 . 0 0 "[ . 1 . 2]" 1
924 1 53 TYR H 1 53 TYR QB . . 3.190 2.392 2.336 2.434 . 0 0 "[ . 1 . 2]" 1
925 1 53 TYR H 1 53 TYR HB3 . . 3.710 3.525 3.493 3.548 . 0 0 "[ . 1 . 2]" 1
926 1 53 TYR H 1 53 TYR QD . . 4.030 3.480 3.335 3.585 . 0 0 "[ . 1 . 2]" 1
927 1 53 TYR H 1 54 CYS H . . 4.170 4.127 4.069 4.196 0.026 4 0 "[ . 1 . 2]" 1
928 1 53 TYR HA 1 53 TYR QD . . 3.200 2.998 2.945 3.029 . 0 0 "[ . 1 . 2]" 1
929 1 53 TYR QB 1 54 CYS H . . 3.610 3.626 3.598 3.647 0.037 19 0 "[ . 1 . 2]" 1
930 1 53 TYR QD 1 54 CYS H . . 4.620 4.150 4.031 4.245 . 0 0 "[ . 1 . 2]" 1
931 1 54 CYS H 1 54 CYS HB2 . . 3.850 3.003 2.800 3.154 . 0 0 "[ . 1 . 2]" 1
932 1 54 CYS H 1 54 CYS QB . . 3.250 2.886 2.720 2.991 . 0 0 "[ . 1 . 2]" 1
933 1 54 CYS H 1 54 CYS HB3 . . 3.850 3.747 3.685 3.787 . 0 0 "[ . 1 . 2]" 1
934 1 54 CYS H 1 55 GLU H . . 3.730 2.493 1.849 3.006 . 0 0 "[ . 1 . 2]" 1
935 1 54 CYS HB2 1 55 GLU H . . 3.490 2.728 2.445 3.330 . 0 0 "[ . 1 . 2]" 1
936 1 54 CYS HB3 1 55 GLU H . . 3.490 2.559 2.069 3.225 . 0 0 "[ . 1 . 2]" 1
937 1 55 GLU H 1 55 GLU HB2 . . 3.700 2.769 2.066 3.116 . 0 0 "[ . 1 . 2]" 1
938 1 55 GLU H 1 55 GLU QB . . 3.060 2.699 2.043 3.012 . 0 0 "[ . 1 . 2]" 1
939 1 55 GLU H 1 55 GLU HB3 . . 3.700 3.772 3.165 3.994 0.294 13 0 "[ . 1 . 2]" 1
940 1 55 GLU H 1 55 GLU HG2 . . 4.050 3.956 3.069 4.166 0.116 6 0 "[ . 1 . 2]" 1
941 1 55 GLU H 1 55 GLU HG3 . . 4.050 3.545 1.945 4.163 0.113 19 0 "[ . 1 . 2]" 1
942 1 55 GLU H 1 56 TYR H . . 4.290 4.379 4.328 4.496 0.206 12 0 "[ . 1 . 2]" 1
943 1 55 GLU HA 1 55 GLU HG2 . . 3.230 2.280 2.019 2.686 . 0 0 "[ . 1 . 2]" 1
944 1 55 GLU HA 1 55 GLU HG3 . . 3.230 3.130 2.931 3.299 0.069 2 0 "[ . 1 . 2]" 1
945 1 55 GLU HA 1 56 TYR H . . 2.710 2.539 2.305 2.745 0.035 7 0 "[ . 1 . 2]" 1
946 1 55 GLU QB 1 56 TYR H . . 3.490 2.367 1.906 3.070 . 0 0 "[ . 1 . 2]" 1
947 1 55 GLU HB2 1 56 TYR H . . 4.170 3.565 2.797 4.171 0.001 19 0 "[ . 1 . 2]" 1
948 1 55 GLU HB3 1 56 TYR H . . 4.170 2.410 1.930 3.160 . 0 0 "[ . 1 . 2]" 1
949 1 55 GLU QG 1 56 TYR H . . 4.130 3.236 2.502 3.879 . 0 0 "[ . 1 . 2]" 1
950 1 55 GLU HG2 1 56 TYR H . . 4.700 3.365 2.523 4.164 . 0 0 "[ . 1 . 2]" 1
951 1 55 GLU HG3 1 56 TYR H . . 4.700 4.419 3.889 4.769 0.069 6 0 "[ . 1 . 2]" 1
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